X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2F1L2Y_MREMD_MD000_002.pdb;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2F1L2Y_MREMD_MD000_002.pdb;h=01f1b418e3e9c553b5e1d73ce439b9684b238b9a;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_MD000_002.pdb b/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_MD000_002.pdb new file mode 100644 index 0000000..01f1b41 --- /dev/null +++ b/examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_MD000_002.pdb @@ -0,0 +1,600 @@ +REMARK Structure 2 ENERGY -2.68660E+01 +ATOM 2 CA ASN A 2 2.427 0.587 2.293 +ATOM 3 CB ASN A 2 3.358 0.382 4.067 +ATOM 5 CA LEU A 3 2.898 -3.100 1.561 +ATOM 6 CB LEU A 3 2.770 -4.630 0.158 +ATOM 8 CA TYR A 4 6.659 -3.373 1.172 +ATOM 9 CB TYR A 4 7.128 -0.528 2.890 +ATOM 11 CA ILE A 5 6.752 -7.156 0.518 +ATOM 12 CB ILE A 5 5.895 -8.692 -0.220 +ATOM 14 CA GLN A 6 10.545 -7.410 0.002 +ATOM 15 CB GLN A 6 10.872 -5.440 1.357 +ATOM 17 CA TRP A 7 10.393 -11.209 -0.438 +ATOM 18 CB TRP A 7 7.510 -13.457 -0.840 +ATOM 20 CA LEU A 8 14.110 -11.549 -1.145 +ATOM 21 CB LEU A 8 14.501 -9.671 -0.323 +ATOM 23 CA LYS A 9 14.035 -15.370 -1.366 +ATOM 24 CB LYS A 9 11.810 -14.855 -2.816 +ATOM 26 CA ASP A 10 17.716 -15.670 -2.396 +ATOM 27 CB ASP A 10 18.658 -14.530 -1.002 +ATOM 29 CA GLY A 11 17.688 -19.507 -2.338 +ATOM 31 CA GLY A 12 21.265 -20.392 -3.364 +ATOM 33 CA PRO A 13 21.931 -24.168 -3.004 +ATOM 34 CB PRO A 13 21.431 -24.169 -4.336 +ATOM 36 CA SER A 14 25.307 -25.040 -1.480 +ATOM 37 CB SER A 14 25.676 -23.811 -1.236 +ATOM 39 CA SER A 15 27.059 -28.044 0.092 +ATOM 40 CB SER A 15 26.746 -29.152 -0.530 +ATOM 42 CA GLY A 16 30.563 -26.604 0.619 +ATOM 44 CA ARG A 17 32.437 -29.530 2.212 +ATOM 45 CB ARG A 17 30.379 -31.117 -0.019 +ATOM 47 CA PRO A 18 36.190 -29.790 2.816 +ATOM 48 CB PRO A 18 35.726 -30.384 4.025 +ATOM 50 CA PRO A 19 37.034 -31.252 -0.646 +ATOM 51 CB PRO A 19 36.403 -30.061 -1.096 +ATOM 53 CA PRO A 20 40.570 -32.307 0.483 +ATOM 54 CB PRO A 20 39.815 -32.862 1.555 +ATOM 56 CA SER A 21 42.118 -33.270 -2.863 +ATOM 57 CB SER A 21 41.211 -32.725 -3.627 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 34 ENERGY -2.68773E+01 +ATOM 2 CA ASN A 2 1.757 -0.043 1.860 +ATOM 3 CB ASN A 2 2.837 -0.029 3.558 +ATOM 5 CA LEU A 3 2.290 -3.814 1.734 +ATOM 6 CB LEU A 3 2.068 -5.571 0.645 +ATOM 8 CA TYR A 4 5.998 -4.125 0.953 +ATOM 9 CB TYR A 4 6.638 -1.081 2.213 +ATOM 11 CA ILE A 5 6.114 -7.959 0.914 +ATOM 12 CB ILE A 5 5.281 -9.593 0.398 +ATOM 14 CA GLN A 6 9.818 -8.259 0.003 +ATOM 15 CB GLN A 6 10.179 -6.054 0.937 +ATOM 17 CA TRP A 7 9.816 -12.107 0.076 +ATOM 18 CB TRP A 7 6.957 -14.424 0.072 +ATOM 20 CA LEU A 8 13.451 -12.327 -1.032 +ATOM 21 CB LEU A 8 13.792 -10.339 -0.493 +ATOM 23 CA LYS A 9 13.721 -16.155 -0.912 +ATOM 24 CB LYS A 9 11.266 -16.066 -2.043 +ATOM 26 CA ASP A 10 17.287 -16.310 -2.357 +ATOM 27 CB ASP A 10 18.506 -15.306 -1.089 +ATOM 29 CA GLY A 11 17.524 -20.123 -2.085 +ATOM 31 CA GLY A 12 21.040 -20.727 -3.500 +ATOM 33 CA PRO A 13 21.955 -24.438 -2.961 +ATOM 34 CB PRO A 13 21.352 -24.528 -4.244 +ATOM 36 CA SER A 14 25.504 -24.763 -1.642 +ATOM 37 CB SER A 14 25.679 -23.470 -1.536 +ATOM 39 CA SER A 15 27.765 -27.377 -0.001 +ATOM 40 CB SER A 15 27.624 -28.612 -0.425 +ATOM 42 CA GLY A 16 31.124 -25.557 0.301 +ATOM 44 CA ARG A 17 33.346 -28.182 1.966 +ATOM 45 CB ARG A 17 31.387 -30.307 0.144 +ATOM 47 CA PRO A 18 37.118 -28.175 2.496 +ATOM 48 CB PRO A 18 36.707 -28.830 3.689 +ATOM 50 CA PRO A 19 37.981 -29.615 -0.960 +ATOM 51 CB PRO A 19 37.314 -28.436 -1.398 +ATOM 53 CA PRO A 20 41.614 -30.432 0.102 +ATOM 54 CB PRO A 20 40.901 -31.037 1.169 +ATOM 56 CA SER A 21 43.205 -31.310 -3.239 +ATOM 57 CB SER A 21 42.318 -30.769 -4.040 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 66 ENERGY -2.68878E+01 +ATOM 2 CA ASN A 2 0.876 -1.054 1.390 +ATOM 3 CB ASN A 2 1.959 -0.921 3.084 +ATOM 5 CA LEU A 3 1.512 -4.787 1.634 +ATOM 6 CB LEU A 3 1.319 -6.615 0.673 +ATOM 8 CA TYR A 4 5.217 -4.962 0.790 +ATOM 9 CB TYR A 4 5.770 -1.848 1.928 +ATOM 11 CA ILE A 5 5.509 -8.770 1.070 +ATOM 12 CB ILE A 5 4.751 -10.481 0.718 +ATOM 14 CA GLN A 6 9.164 -8.914 -0.027 +ATOM 15 CB GLN A 6 9.365 -6.580 0.556 +ATOM 17 CA TRP A 7 9.340 -12.721 0.384 +ATOM 18 CB TRP A 7 6.674 -15.246 0.529 +ATOM 20 CA LEU A 8 12.891 -12.779 -0.971 +ATOM 21 CB LEU A 8 13.102 -10.726 -0.669 +ATOM 23 CA LYS A 9 13.387 -16.566 -0.568 +ATOM 24 CB LYS A 9 10.932 -16.699 -1.690 +ATOM 26 CA ASP A 10 16.855 -16.740 -2.235 +ATOM 27 CB ASP A 10 18.144 -15.559 -1.212 +ATOM 29 CA GLY A 11 17.356 -20.495 -1.554 +ATOM 31 CA GLY A 12 20.839 -21.025 -3.082 +ATOM 33 CA PRO A 13 22.222 -24.559 -2.375 +ATOM 34 CB PRO A 13 21.594 -24.812 -3.620 +ATOM 36 CA SER A 14 25.875 -24.643 -1.247 +ATOM 37 CB SER A 14 26.064 -23.355 -1.109 +ATOM 39 CA SER A 15 28.456 -26.977 0.339 +ATOM 40 CB SER A 15 28.396 -28.210 -0.100 +ATOM 42 CA GLY A 16 31.651 -24.880 0.282 +ATOM 44 CA ARG A 17 34.287 -27.162 1.875 +ATOM 45 CB ARG A 17 32.340 -29.409 0.182 +ATOM 47 CA PRO A 18 38.060 -26.736 2.090 +ATOM 48 CB PRO A 18 37.833 -27.342 3.355 +ATOM 50 CA PRO A 19 38.853 -28.265 -1.358 +ATOM 51 CB PRO A 19 38.061 -27.173 -1.816 +ATOM 53 CA PRO A 20 42.617 -28.655 -0.578 +ATOM 54 CB PRO A 20 42.037 -29.261 0.568 +ATOM 56 CA SER A 21 44.209 -29.587 -3.905 +ATOM 57 CB SER A 21 43.367 -29.046 -4.760 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 98 ENERGY -2.72450E+01 +ATOM 2 CA ASN A 2 1.090 -1.087 1.417 +ATOM 3 CB ASN A 2 2.148 -0.921 3.115 +ATOM 5 CA LEU A 3 1.643 -4.837 1.657 +ATOM 6 CB LEU A 3 1.435 -6.671 0.694 +ATOM 8 CA TYR A 4 5.309 -5.070 0.701 +ATOM 9 CB TYR A 4 5.922 -1.996 1.895 +ATOM 11 CA ILE A 5 5.583 -8.880 1.021 +ATOM 12 CB ILE A 5 4.833 -10.603 0.697 +ATOM 14 CA GLN A 6 9.238 -9.029 -0.116 +ATOM 15 CB GLN A 6 9.488 -6.708 0.527 +ATOM 17 CA TRP A 7 9.437 -12.835 0.315 +ATOM 18 CB TRP A 7 6.791 -15.386 0.453 +ATOM 20 CA LEU A 8 13.006 -12.900 -1.015 +ATOM 21 CB LEU A 8 13.198 -10.854 -0.656 +ATOM 23 CA LYS A 9 13.453 -16.682 -0.535 +ATOM 24 CB LYS A 9 10.992 -16.795 -1.649 +ATOM 26 CA ASP A 10 16.933 -16.745 -2.155 +ATOM 27 CB ASP A 10 17.695 -15.033 -1.373 +ATOM 29 CA GLY A 11 17.472 -20.490 -1.520 +ATOM 31 CA GLY A 12 20.958 -20.990 -3.034 +ATOM 33 CA PRO A 13 22.286 -24.527 -2.258 +ATOM 34 CB PRO A 13 21.654 -24.803 -3.501 +ATOM 36 CA SER A 14 25.915 -24.563 -1.119 +ATOM 37 CB SER A 14 26.036 -23.262 -1.018 +ATOM 39 CA SER A 15 28.379 -26.995 0.478 +ATOM 40 CB SER A 15 28.272 -28.219 0.023 +ATOM 42 CA GLY A 16 31.571 -24.875 0.465 +ATOM 44 CA ARG A 17 34.170 -27.238 1.970 +ATOM 45 CB ARG A 17 32.240 -29.338 0.073 +ATOM 47 CA PRO A 18 37.940 -26.735 2.153 +ATOM 48 CB PRO A 18 37.738 -27.396 3.396 +ATOM 50 CA PRO A 19 38.652 -28.116 -1.367 +ATOM 51 CB PRO A 19 37.778 -27.059 -1.753 +ATOM 53 CA PRO A 20 42.438 -28.440 -0.670 +ATOM 54 CB PRO A 20 41.918 -29.103 0.475 +ATOM 56 CA SER A 21 43.873 -29.216 -4.105 +ATOM 57 CB SER A 21 43.012 -28.623 -4.894 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 130 ENERGY -2.72471E+01 +ATOM 2 CA ASN A 2 1.124 -1.085 1.418 +ATOM 3 CB ASN A 2 2.184 -0.924 3.115 +ATOM 5 CA LEU A 3 1.670 -4.837 1.651 +ATOM 6 CB LEU A 3 1.458 -6.667 0.683 +ATOM 8 CA TYR A 4 5.337 -5.079 0.701 +ATOM 9 CB TYR A 4 5.960 -2.010 1.903 +ATOM 11 CA ILE A 5 5.597 -8.891 1.015 +ATOM 12 CB ILE A 5 4.843 -10.611 0.686 +ATOM 14 CA GLN A 6 9.253 -9.053 -0.115 +ATOM 15 CB GLN A 6 9.510 -6.734 0.535 +ATOM 17 CA TRP A 7 9.434 -12.860 0.311 +ATOM 18 CB TRP A 7 6.782 -15.404 0.437 +ATOM 20 CA LEU A 8 13.006 -12.937 -1.011 +ATOM 21 CB LEU A 8 13.205 -10.893 -0.647 +ATOM 23 CA LYS A 9 13.436 -16.723 -0.536 +ATOM 24 CB LYS A 9 10.978 -16.824 -1.658 +ATOM 26 CA ASP A 10 16.919 -16.793 -2.149 +ATOM 27 CB ASP A 10 17.679 -15.081 -1.365 +ATOM 29 CA GLY A 11 17.446 -20.541 -1.521 +ATOM 31 CA GLY A 12 20.935 -21.042 -3.029 +ATOM 33 CA PRO A 13 22.263 -24.581 -2.262 +ATOM 34 CB PRO A 13 21.634 -24.852 -3.507 +ATOM 36 CA SER A 14 25.888 -24.609 -1.114 +ATOM 37 CB SER A 14 26.005 -23.308 -1.009 +ATOM 39 CA SER A 15 28.365 -27.030 0.481 +ATOM 40 CB SER A 15 28.269 -28.253 0.021 +ATOM 42 CA GLY A 16 31.539 -24.883 0.481 +ATOM 44 CA ARG A 17 34.159 -27.228 1.979 +ATOM 45 CB ARG A 17 32.248 -29.335 0.070 +ATOM 47 CA PRO A 18 37.921 -26.675 2.164 +ATOM 48 CB PRO A 18 37.729 -27.346 3.404 +ATOM 50 CA PRO A 19 38.649 -28.026 -1.364 +ATOM 51 CB PRO A 19 37.761 -26.980 -1.744 +ATOM 53 CA PRO A 20 42.441 -28.302 -0.673 +ATOM 54 CB PRO A 20 41.931 -28.979 0.469 +ATOM 56 CA SER A 21 43.884 -29.037 -4.114 +ATOM 57 CB SER A 21 43.022 -28.437 -4.897 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 162 ENERGY -2.72486E+01 +ATOM 2 CA ASN A 2 1.144 -1.092 1.420 +ATOM 3 CB ASN A 2 2.204 -0.934 3.117 +ATOM 5 CA LEU A 3 1.685 -4.844 1.649 +ATOM 6 CB LEU A 3 1.470 -6.673 0.678 +ATOM 8 CA TYR A 4 5.352 -5.093 0.701 +ATOM 9 CB TYR A 4 5.980 -2.027 1.907 +ATOM 11 CA ILE A 5 5.603 -8.905 1.012 +ATOM 12 CB ILE A 5 4.846 -10.624 0.680 +ATOM 14 CA GLN A 6 9.261 -9.076 -0.115 +ATOM 15 CB GLN A 6 9.523 -6.759 0.539 +ATOM 17 CA TRP A 7 9.430 -12.885 0.308 +ATOM 18 CB TRP A 7 6.772 -15.424 0.428 +ATOM 20 CA LEU A 8 13.002 -12.970 -1.011 +ATOM 21 CB LEU A 8 13.206 -10.927 -0.644 +ATOM 23 CA LYS A 9 13.423 -16.757 -0.538 +ATOM 24 CB LYS A 9 10.966 -16.852 -1.663 +ATOM 26 CA ASP A 10 16.907 -16.833 -2.147 +ATOM 27 CB ASP A 10 17.668 -15.122 -1.363 +ATOM 29 CA GLY A 11 17.428 -20.583 -1.520 +ATOM 31 CA GLY A 12 20.918 -21.084 -3.026 +ATOM 33 CA PRO A 13 22.247 -24.623 -2.262 +ATOM 34 CB PRO A 13 21.619 -24.894 -3.509 +ATOM 36 CA SER A 14 25.871 -24.642 -1.110 +ATOM 37 CB SER A 14 25.983 -23.341 -1.004 +ATOM 39 CA SER A 15 28.359 -27.052 0.484 +ATOM 40 CB SER A 15 28.271 -28.274 0.023 +ATOM 42 CA GLY A 16 31.519 -24.883 0.489 +ATOM 44 CA ARG A 17 34.157 -27.209 1.984 +ATOM 45 CB ARG A 17 32.259 -29.330 0.079 +ATOM 47 CA PRO A 18 37.913 -26.613 2.167 +ATOM 48 CB PRO A 18 37.730 -27.289 3.405 +ATOM 50 CA PRO A 19 38.653 -27.948 -1.365 +ATOM 51 CB PRO A 19 37.752 -26.911 -1.741 +ATOM 53 CA PRO A 20 42.448 -28.181 -0.680 +ATOM 54 CB PRO A 20 41.948 -28.867 0.461 +ATOM 56 CA SER A 21 43.896 -28.890 -4.124 +ATOM 57 CB SER A 21 43.034 -28.287 -4.905 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 194 ENERGY -2.72498E+01 +ATOM 2 CA ASN A 2 1.154 -1.104 1.420 +ATOM 3 CB ASN A 2 2.216 -0.947 3.116 +ATOM 5 CA LEU A 3 1.693 -4.857 1.647 +ATOM 6 CB LEU A 3 1.475 -6.686 0.676 +ATOM 8 CA TYR A 4 5.359 -5.110 0.700 +ATOM 9 CB TYR A 4 5.991 -2.045 1.907 +ATOM 11 CA ILE A 5 5.605 -8.923 1.010 +ATOM 12 CB ILE A 5 4.846 -10.641 0.678 +ATOM 14 CA GLN A 6 9.262 -9.100 -0.116 +ATOM 15 CB GLN A 6 9.529 -6.784 0.539 +ATOM 17 CA TRP A 7 9.425 -12.909 0.307 +ATOM 18 CB TRP A 7 6.764 -15.444 0.425 +ATOM 20 CA LEU A 8 12.997 -13.001 -1.010 +ATOM 21 CB LEU A 8 13.204 -10.958 -0.643 +ATOM 23 CA LYS A 9 13.412 -16.788 -0.536 +ATOM 24 CB LYS A 9 10.955 -16.880 -1.663 +ATOM 26 CA ASP A 10 16.897 -16.868 -2.144 +ATOM 27 CB ASP A 10 17.657 -15.156 -1.362 +ATOM 29 CA GLY A 11 17.414 -20.618 -1.517 +ATOM 31 CA GLY A 12 20.904 -21.119 -3.022 +ATOM 33 CA PRO A 13 22.236 -24.657 -2.259 +ATOM 34 CB PRO A 13 21.610 -24.928 -3.507 +ATOM 36 CA SER A 14 25.860 -24.667 -1.106 +ATOM 37 CB SER A 14 25.969 -23.365 -1.001 +ATOM 39 CA SER A 15 28.360 -27.064 0.489 +ATOM 40 CB SER A 15 28.277 -28.287 0.028 +ATOM 42 CA GLY A 16 31.507 -24.877 0.494 +ATOM 44 CA ARG A 17 34.162 -27.184 1.986 +ATOM 45 CB ARG A 17 32.272 -29.321 0.090 +ATOM 47 CA PRO A 18 37.912 -26.553 2.165 +ATOM 48 CB PRO A 18 37.737 -27.232 3.404 +ATOM 50 CA PRO A 19 38.660 -27.877 -1.369 +ATOM 51 CB PRO A 19 37.747 -26.848 -1.743 +ATOM 53 CA PRO A 20 42.458 -28.073 -0.691 +ATOM 54 CB PRO A 20 41.967 -28.766 0.450 +ATOM 56 CA SER A 21 43.909 -28.763 -4.138 +ATOM 57 CB SER A 21 43.046 -28.157 -4.916 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 226 ENERGY -2.72509E+01 +ATOM 2 CA ASN A 2 1.158 -1.120 1.417 +ATOM 3 CB ASN A 2 2.220 -0.963 3.113 +ATOM 5 CA LEU A 3 1.694 -4.874 1.646 +ATOM 6 CB LEU A 3 1.475 -6.702 0.676 +ATOM 8 CA TYR A 4 5.361 -5.130 0.698 +ATOM 9 CB TYR A 4 5.994 -2.065 1.904 +ATOM 11 CA ILE A 5 5.603 -8.943 1.010 +ATOM 12 CB ILE A 5 4.843 -10.660 0.679 +ATOM 14 CA GLN A 6 9.260 -9.124 -0.117 +ATOM 15 CB GLN A 6 9.530 -6.809 0.538 +ATOM 17 CA TRP A 7 9.418 -12.933 0.309 +ATOM 18 CB TRP A 7 6.755 -15.467 0.427 +ATOM 20 CA LEU A 8 12.990 -13.029 -1.010 +ATOM 21 CB LEU A 8 13.199 -10.987 -0.643 +ATOM 23 CA LYS A 9 13.402 -16.817 -0.533 +ATOM 24 CB LYS A 9 10.945 -16.907 -1.659 +ATOM 26 CA ASP A 10 16.886 -16.899 -2.142 +ATOM 27 CB ASP A 10 17.646 -15.186 -1.362 +ATOM 29 CA GLY A 11 17.403 -20.649 -1.512 +ATOM 31 CA GLY A 12 20.893 -21.149 -3.017 +ATOM 33 CA PRO A 13 22.230 -24.686 -2.254 +ATOM 34 CB PRO A 13 21.605 -24.957 -3.502 +ATOM 36 CA SER A 14 25.854 -24.685 -1.101 +ATOM 37 CB SER A 14 25.959 -23.383 -0.997 +ATOM 39 CA SER A 15 28.365 -27.071 0.494 +ATOM 40 CB SER A 15 28.287 -28.294 0.034 +ATOM 42 CA GLY A 16 31.500 -24.867 0.497 +ATOM 44 CA ARG A 17 34.171 -27.157 1.988 +ATOM 45 CB ARG A 17 32.288 -29.308 0.100 +ATOM 47 CA PRO A 18 37.916 -26.494 2.161 +ATOM 48 CB PRO A 18 37.748 -27.175 3.400 +ATOM 50 CA PRO A 19 38.669 -27.810 -1.375 +ATOM 51 CB PRO A 19 37.747 -26.789 -1.747 +ATOM 53 CA PRO A 20 42.470 -27.974 -0.703 +ATOM 54 CB PRO A 20 41.987 -28.672 0.437 +ATOM 56 CA SER A 21 43.922 -28.649 -4.153 +ATOM 57 CB SER A 21 43.060 -28.040 -4.929 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 258 ENERGY -2.72519E+01 +ATOM 2 CA ASN A 2 1.157 -1.140 1.412 +ATOM 3 CB ASN A 2 2.220 -0.981 3.108 +ATOM 5 CA LEU A 3 1.692 -4.893 1.644 +ATOM 6 CB LEU A 3 1.471 -6.722 0.676 +ATOM 8 CA TYR A 4 5.358 -5.152 0.695 +ATOM 9 CB TYR A 4 5.993 -2.087 1.899 +ATOM 11 CA ILE A 5 5.598 -8.965 1.010 +ATOM 12 CB ILE A 5 4.837 -10.682 0.681 +ATOM 14 CA GLN A 6 9.254 -9.149 -0.118 +ATOM 15 CB GLN A 6 9.526 -6.834 0.535 +ATOM 17 CA TRP A 7 9.411 -12.958 0.312 +ATOM 18 CB TRP A 7 6.747 -15.490 0.433 +ATOM 20 CA LEU A 8 12.983 -13.057 -1.008 +ATOM 21 CB LEU A 8 13.192 -11.014 -0.644 +ATOM 23 CA LYS A 9 13.393 -16.844 -0.528 +ATOM 24 CB LYS A 9 10.935 -16.935 -1.653 +ATOM 26 CA ASP A 10 16.877 -16.928 -2.138 +ATOM 27 CB ASP A 10 17.634 -15.212 -1.361 +ATOM 29 CA GLY A 11 17.395 -20.677 -1.505 +ATOM 31 CA GLY A 12 20.885 -21.175 -3.012 +ATOM 33 CA PRO A 13 22.227 -24.709 -2.248 +ATOM 34 CB PRO A 13 21.602 -24.982 -3.495 +ATOM 36 CA SER A 14 25.852 -24.698 -1.096 +ATOM 37 CB SER A 14 25.953 -23.396 -0.993 +ATOM 39 CA SER A 15 28.373 -27.072 0.500 +ATOM 40 CB SER A 15 28.301 -28.297 0.040 +ATOM 42 CA GLY A 16 31.498 -24.853 0.498 +ATOM 44 CA ARG A 17 34.183 -27.128 1.988 +ATOM 45 CB ARG A 17 32.307 -29.292 0.110 +ATOM 47 CA PRO A 18 37.923 -26.437 2.155 +ATOM 48 CB PRO A 18 37.762 -27.119 3.394 +ATOM 50 CA PRO A 19 38.680 -27.745 -1.383 +ATOM 51 CB PRO A 19 37.750 -26.732 -1.752 +ATOM 53 CA PRO A 20 42.483 -27.880 -0.718 +ATOM 54 CB PRO A 20 42.008 -28.583 0.424 +ATOM 56 CA SER A 21 43.936 -28.543 -4.169 +ATOM 57 CB SER A 21 43.074 -27.932 -4.944 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL +REMARK Structure 290 ENERGY -2.72528E+01 +ATOM 2 CA ASN A 2 1.152 -1.162 1.406 +ATOM 3 CB ASN A 2 2.215 -1.001 3.101 +ATOM 5 CA LEU A 3 1.686 -4.914 1.643 +ATOM 6 CB LEU A 3 1.465 -6.745 0.676 +ATOM 8 CA TYR A 4 5.351 -5.176 0.691 +ATOM 9 CB TYR A 4 5.988 -2.109 1.891 +ATOM 11 CA ILE A 5 5.591 -8.988 1.011 +ATOM 12 CB ILE A 5 4.829 -10.705 0.685 +ATOM 14 CA GLN A 6 9.247 -9.175 -0.119 +ATOM 15 CB GLN A 6 9.519 -6.859 0.531 +ATOM 17 CA TRP A 7 9.403 -12.983 0.315 +ATOM 18 CB TRP A 7 6.738 -15.514 0.441 +ATOM 20 CA LEU A 8 12.973 -13.084 -1.006 +ATOM 21 CB LEU A 8 13.183 -11.041 -0.645 +ATOM 23 CA LYS A 9 13.384 -16.870 -0.521 +ATOM 24 CB LYS A 9 10.926 -16.964 -1.644 +ATOM 26 CA ASP A 10 16.867 -16.955 -2.134 +ATOM 27 CB ASP A 10 17.623 -15.237 -1.361 +ATOM 29 CA GLY A 11 17.388 -20.702 -1.497 +ATOM 31 CA GLY A 12 20.878 -21.199 -3.006 +ATOM 33 CA PRO A 13 22.227 -24.730 -2.240 +ATOM 34 CB PRO A 13 21.601 -25.005 -3.487 +ATOM 36 CA SER A 14 25.852 -24.707 -1.090 +ATOM 37 CB SER A 14 25.949 -23.405 -0.989 +ATOM 39 CA SER A 15 28.384 -27.071 0.505 +ATOM 40 CB SER A 15 28.316 -28.296 0.047 +ATOM 42 CA GLY A 16 31.498 -24.837 0.499 +ATOM 44 CA ARG A 17 34.197 -27.097 1.987 +ATOM 45 CB ARG A 17 32.327 -29.274 0.118 +ATOM 47 CA PRO A 18 37.933 -26.379 2.148 +ATOM 48 CB PRO A 18 37.779 -27.063 3.387 +ATOM 50 CA PRO A 19 38.692 -27.683 -1.391 +ATOM 51 CB PRO A 19 37.754 -26.677 -1.759 +ATOM 53 CA PRO A 20 42.498 -27.791 -0.733 +ATOM 54 CB PRO A 20 42.030 -28.497 0.409 +ATOM 56 CA SER A 21 43.951 -28.443 -4.187 +ATOM 57 CB SER A 21 43.088 -27.831 -4.960 +TER +CONECT 2 5 3 +CONECT 5 8 6 +CONECT 8 11 9 +CONECT 11 14 12 +CONECT 14 17 15 +CONECT 17 20 18 +CONECT 20 23 21 +CONECT 23 26 24 +CONECT 26 29 27 +CONECT 29 31 +CONECT 31 33 +CONECT 33 36 34 +CONECT 36 39 37 +CONECT 39 42 40 +CONECT 42 44 +CONECT 44 47 45 +CONECT 47 50 48 +CONECT 50 53 51 +CONECT 53 56 54 +CONECT 56 57 +ENDMDL