X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Fwham_T300K_0006.pdb;fp=examples%2FUNRES-Dock%2Foutput%2Fwham_T300K_0006.pdb;h=33b15b7d10e650516e7c2262d5faa0650a182f59;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=431d62573af9f680942451fe623a0e78182ed658;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/output/wham_T300K_0006.pdb b/examples/UNRES-Dock/output/wham_T300K_0006.pdb index 431d625..33b15b7 100644 --- a/examples/UNRES-Dock/output/wham_T300K_0006.pdb +++ b/examples/UNRES-Dock/output/wham_T300K_0006.pdb @@ -1,611 +1,611 @@ -REMARK CLUSTER 6 FREE ENERGY -1.23005E+01 AVE RMSD 0.00 -REMARK clustering ENERGY -1.18758E+01 RMS 0.00 -ATOM 1 CA ASP A 1 16.638 11.050 -3.458 1.00 5.00 -ATOM 2 CB ASP A 1 18.261 10.228 -2.490 1.00 5.00 -ATOM 3 CA TRP A 2 14.738 9.367 -0.620 1.00 5.00 -ATOM 4 CB TRP A 2 15.109 7.327 2.469 1.00 5.00 -ATOM 5 CA THR A 3 11.648 9.528 -2.789 1.00 5.00 -ATOM 6 CB THR A 3 10.431 10.346 -3.129 1.00 5.00 -ATOM 7 CA THR A 4 12.957 6.795 -4.952 1.00 5.00 -ATOM 8 CB THR A 4 14.005 7.348 -5.758 1.00 5.00 -ATOM 9 CA PHE A 5 14.592 4.923 -2.078 1.00 5.00 -ATOM 10 CB PHE A 5 16.069 3.760 0.179 1.00 5.00 -ATOM 11 CA ARG A 6 11.686 4.797 0.473 1.00 5.00 -ATOM 12 CB ARG A 6 11.352 8.367 0.784 1.00 5.00 -ATOM 13 CA ARG A 7 9.158 4.256 -2.330 1.00 5.00 -ATOM 14 CB ARG A 7 9.089 6.812 -5.243 1.00 5.00 -ATOM 15 CA VAL A 8 11.184 1.044 -3.399 1.00 5.00 -ATOM 16 CB VAL A 8 12.707 1.131 -3.200 1.00 5.00 -ATOM 17 CA PHE A 9 11.248 -0.129 0.211 1.00 5.00 -ATOM 18 CB PHE A 9 13.943 -0.883 1.284 1.00 5.00 -ATOM 19 CA LEU A 10 7.938 1.162 1.517 1.00 5.00 -ATOM 20 CB LEU A 10 6.185 1.009 0.345 1.00 5.00 -ATOM 21 CA ILE A 11 9.347 2.927 4.504 1.00 5.00 -ATOM 22 CB ILE A 11 11.189 2.668 4.457 1.00 5.00 -ATOM 23 CA ASP A 12 7.435 4.845 7.231 1.00 5.00 -ATOM 24 CB ASP A 12 6.529 3.999 8.860 1.00 5.00 -ATOM 25 CA ASP A 13 8.524 8.377 6.521 1.00 5.00 -ATOM 26 CB ASP A 13 7.595 9.390 4.962 1.00 5.00 -ATOM 27 CA ALA A 14 9.392 9.341 9.827 1.00 5.00 -ATOM 28 CB ALA A 14 8.743 9.480 10.176 1.00 5.00 -ATOM 29 CA TRP A 15 12.363 7.307 9.819 1.00 5.00 -ATOM 30 CB TRP A 15 12.834 5.709 12.525 1.00 5.00 -ATOM 31 CA ARG A 16 14.301 9.530 7.095 1.00 5.00 -ATOM 32 CB ARG A 16 13.819 11.011 4.008 1.00 5.00 -ATOM 33 CA PRO A 17 15.460 12.022 9.633 1.00 5.00 -ATOM 34 CB PRO A 17 14.034 12.131 9.923 1.00 5.00 -ATOM 35 CA LEU A 18 17.839 9.221 10.802 1.00 5.00 -ATOM 36 CB LEU A 18 17.724 9.603 12.708 1.00 5.00 -ATOM 37 CA MET A 19 18.068 7.239 7.620 1.00 5.00 -ATOM 38 CB MET A 19 16.784 5.349 8.606 1.00 5.00 -ATOM 39 CA GLU A 20 18.591 9.867 4.801 1.00 5.00 -ATOM 40 CB GLU A 20 18.338 12.236 5.793 1.00 5.00 -ATOM 41 CA PRO A 21 22.297 10.797 6.128 1.00 5.00 -ATOM 42 CB PRO A 21 21.489 11.131 7.243 1.00 5.00 -ATOM 43 CA GLU A 22 23.342 7.252 5.133 1.00 5.00 -ATOM 44 CB GLU A 22 21.476 5.295 5.955 1.00 5.00 -ATOM 45 CA LEU A 23 21.874 7.511 1.550 1.00 5.00 -ATOM 46 CB LEU A 23 20.878 5.936 0.768 1.00 5.00 -ATOM 47 CA ALA A 24 24.194 10.401 1.076 1.00 5.00 -ATOM 48 CB ALA A 24 23.952 11.137 0.916 1.00 5.00 -ATOM 49 CA ASN A 25 27.188 7.941 1.785 1.00 5.00 -ATOM 50 CB ASN A 25 28.089 7.497 3.583 1.00 5.00 -ATOM 51 CA PRO A 26 28.852 6.520 -1.318 1.00 5.00 -ATOM 52 CB PRO A 26 29.320 7.865 -1.214 1.00 5.00 -ATOM 53 CA LEU A 27 29.527 3.191 -0.249 1.00 5.00 -ATOM 54 CB LEU A 27 31.372 2.873 0.600 1.00 5.00 -ATOM 55 CA THR A 28 25.864 2.875 0.815 1.00 5.00 -ATOM 56 CB THR A 28 25.611 3.895 1.786 1.00 5.00 -ATOM 57 CA ALA A 29 24.991 3.389 -2.905 1.00 5.00 -ATOM 58 CB ALA A 29 24.728 3.794 -3.575 1.00 5.00 -ATOM 59 CA HIS A 30 27.259 0.441 -3.616 1.00 5.00 -ATOM 60 CB HIS A 30 29.775 1.611 -3.688 1.00 5.00 -ATOM 61 CA LEU A 31 25.144 -1.491 -1.044 1.00 5.00 -ATOM 62 CB LEU A 31 25.208 -1.200 0.973 1.00 5.00 -ATOM 63 CA LEU A 32 21.980 -0.915 -3.156 1.00 5.00 -ATOM 64 CB LEU A 32 20.720 -0.182 -1.554 1.00 5.00 -ATOM 65 CA ALA A 33 23.625 -2.093 -6.012 1.00 5.00 -ATOM 66 CB ALA A 33 24.237 -2.133 -6.549 1.00 5.00 -ATOM 67 CA GLU A 34 25.194 -5.056 -4.431 1.00 5.00 -ATOM 68 CB GLU A 34 27.977 -4.386 -4.509 1.00 5.00 -ATOM 69 CA TYR A 35 21.807 -6.030 -3.101 1.00 5.00 -ATOM 70 CB TYR A 35 19.032 -4.738 -1.873 1.00 5.00 -ATOM 71 CA ASN A 36 20.276 -5.187 -6.731 1.00 5.00 -ATOM 72 CB ASN A 36 19.637 -3.591 -5.851 1.00 5.00 -ATOM 73 CA ARG A 37 22.849 -7.293 -8.674 1.00 5.00 -ATOM 74 CB ARG A 37 24.247 -4.488 -10.303 1.00 5.00 -ATOM 75 CA ARG A 38 22.743 -10.068 -5.952 1.00 5.00 -ATOM 76 CB ARG A 38 25.700 -9.456 -3.636 1.00 5.00 -ATOM 77 CA CYS A 39 18.700 -9.948 -6.310 1.00 5.00 -ATOM 78 CB CYS A 39 18.337 -8.622 -5.751 1.00 5.00 -ATOM 79 CA GLN A 40 18.501 -11.095 -9.850 1.00 5.00 -ATOM 80 CB GLN A 40 19.986 -9.840 -11.665 1.00 5.00 -ATOM 81 CA THR A 41 20.902 -13.834 -9.558 1.00 5.00 -ATOM 82 CB THR A 41 21.919 -12.897 -9.076 1.00 5.00 -ATOM 83 CA GLU A 42 19.549 -14.972 -6.125 1.00 5.00 -ATOM 84 CB GLU A 42 21.066 -13.581 -4.810 1.00 5.00 -ATOM 85 CA GLU A 43 16.479 -15.551 -4.142 1.00 5.00 -ATOM 86 CB GLU A 43 13.884 -16.167 -3.383 1.00 5.00 -ATOM 87 CA VAL A 44 17.187 -13.143 -1.367 1.00 5.00 -ATOM 88 CB VAL A 44 17.740 -11.754 -1.550 1.00 5.00 -ATOM 89 CA LEU A 45 15.473 -14.223 1.906 1.00 5.00 -ATOM 90 CB LEU A 45 15.571 -15.694 3.452 1.00 5.00 -ATOM 91 CA PRO A 46 13.829 -10.756 2.903 1.00 5.00 -ATOM 92 CB PRO A 46 15.264 -10.621 2.630 1.00 5.00 -ATOM 93 CA PRO A 47 11.415 -9.802 0.315 1.00 5.00 -ATOM 94 CB PRO A 47 10.457 -10.368 1.250 1.00 5.00 -ATOM 95 CA ARG A 48 11.834 -6.286 -0.751 1.00 5.00 -ATOM 96 CB ARG A 48 9.869 -5.596 -3.536 1.00 5.00 -ATOM 97 CA GLU A 49 8.511 -5.000 0.628 1.00 5.00 -ATOM 98 CB GLU A 49 7.885 -3.121 -0.845 1.00 5.00 -ATOM 99 CA ASP A 50 9.190 -6.894 4.011 1.00 5.00 -ATOM 100 CB ASP A 50 8.052 -8.354 4.905 1.00 5.00 -ATOM 101 CA VAL A 51 12.861 -5.851 4.125 1.00 5.00 -ATOM 102 CB VAL A 51 13.953 -5.608 3.148 1.00 5.00 -ATOM 103 CA PHE A 52 12.687 -2.637 5.987 1.00 5.00 -ATOM 104 CB PHE A 52 14.883 -0.888 6.937 1.00 5.00 -ATOM 105 CA SER A 53 9.401 -3.422 7.805 1.00 5.00 -ATOM 106 CB SER A 53 8.937 -4.619 7.412 1.00 5.00 -ATOM 107 CA TRP A 54 11.025 -2.659 11.142 1.00 5.00 -ATOM 108 CB TRP A 54 14.112 -0.784 11.816 1.00 5.00 -ATOM 109 CA THR A 55 10.134 0.915 10.056 1.00 5.00 -ATOM 110 CB THR A 55 11.222 1.660 9.429 1.00 5.00 -ATOM 111 CA ARG A 56 6.493 0.188 9.775 1.00 5.00 -ATOM 112 CB ARG A 56 3.338 0.404 8.253 1.00 5.00 -ATOM 113 CA TYR A 57 5.658 -0.597 13.274 1.00 5.00 -ATOM 114 CB TYR A 57 6.990 -3.686 13.197 1.00 5.00 -ATOM 115 CA CYS A 58 6.826 2.367 15.016 1.00 5.00 -ATOM 116 CB CYS A 58 7.557 1.427 15.754 1.00 5.00 -ATOM 117 CA THR A 59 8.645 5.755 15.105 1.00 5.00 -ATOM 118 CB THR A 59 7.809 6.865 14.584 1.00 5.00 -ATOM 119 CA PRO A 60 12.121 7.240 16.410 1.00 5.00 -ATOM 120 CB PRO A 60 11.699 8.219 15.475 1.00 5.00 -ATOM 121 CA ASP A 61 10.697 8.253 19.663 1.00 5.00 -ATOM 122 CB ASP A 61 11.425 10.045 20.229 1.00 5.00 -ATOM 123 CA GLU A 62 8.186 5.407 19.965 1.00 5.00 -ATOM 124 CB GLU A 62 6.804 5.660 18.001 1.00 5.00 -ATOM 125 CA VAL A 63 11.289 2.945 20.488 1.00 5.00 -ATOM 126 CB VAL A 63 12.625 2.554 19.976 1.00 5.00 -ATOM 127 CA ARG A 64 12.729 2.276 23.869 1.00 5.00 -ATOM 128 CB ARG A 64 10.216 0.022 24.514 1.00 5.00 -ATOM 129 CA VAL A 65 14.344 -1.431 23.590 1.00 5.00 -ATOM 130 CB VAL A 65 14.164 -2.886 24.102 1.00 5.00 -ATOM 131 CA VAL A 66 16.644 -2.034 20.620 1.00 5.00 -ATOM 132 CB VAL A 66 17.364 -0.708 20.403 1.00 5.00 -ATOM 133 CA ILE A 67 17.364 -5.890 20.635 1.00 5.00 -ATOM 134 CB ILE A 67 16.087 -7.205 21.306 1.00 5.00 -ATOM 135 CA ILE A 68 20.100 -6.781 18.140 1.00 5.00 -ATOM 136 CB ILE A 68 21.870 -6.221 18.630 1.00 5.00 -ATOM 137 CA GLY A 69 20.842 -9.821 15.976 1.00 5.00 -ATOM 138 CA GLN A 70 22.586 -11.296 12.899 1.00 5.00 -ATOM 139 CB GLN A 70 24.212 -13.029 12.431 1.00 5.00 -ATOM 140 CA ASP A 71 21.267 -12.271 9.262 1.00 5.00 -ATOM 141 CB ASP A 71 21.609 -14.275 8.896 1.00 5.00 -ATOM 142 CA PRO A 72 17.526 -13.138 8.450 1.00 5.00 -ATOM 143 CB PRO A 72 17.853 -11.806 7.998 1.00 5.00 -ATOM 144 CA TYR A 73 17.078 -16.933 8.671 1.00 5.00 -ATOM 145 CB TYR A 73 16.320 -16.227 11.977 1.00 5.00 -ATOM 146 CA HIS A 74 17.844 -18.776 5.609 1.00 5.00 -ATOM 147 CB HIS A 74 18.059 -21.517 6.324 1.00 5.00 -ATOM 148 CA HIS A 75 14.142 -20.049 4.617 1.00 5.00 -ATOM 149 CB HIS A 75 13.868 -22.487 5.969 1.00 5.00 -ATOM 150 CA PRO A 76 11.261 -19.119 2.611 1.00 5.00 -ATOM 151 CB PRO A 76 11.429 -20.549 2.615 1.00 5.00 -ATOM 152 CA GLY A 77 8.856 -17.809 5.273 1.00 5.00 -ATOM 153 CA GLN A 78 11.164 -18.047 8.286 1.00 5.00 -ATOM 154 CB GLN A 78 12.176 -17.489 10.430 1.00 5.00 -ATOM 155 CA ALA A 79 12.628 -14.485 8.284 1.00 5.00 -ATOM 156 CB ALA A 79 12.954 -14.334 7.536 1.00 5.00 -ATOM 157 CA HIS A 80 10.094 -11.373 8.028 1.00 5.00 -ATOM 158 CB HIS A 80 9.505 -10.795 10.595 1.00 5.00 -ATOM 159 CA GLY A 81 12.352 -8.341 8.814 1.00 5.00 -ATOM 160 CA LEU A 82 13.045 -8.455 12.481 1.00 5.00 -ATOM 161 CB LEU A 82 12.143 -6.727 13.031 1.00 5.00 -ATOM 162 CA ALA A 83 15.613 -10.246 14.589 1.00 5.00 -ATOM 163 CB ALA A 83 16.176 -9.851 14.905 1.00 5.00 -ATOM 164 CA PHE A 84 14.462 -13.279 16.245 1.00 5.00 -ATOM 165 CB PHE A 84 15.663 -13.087 18.895 1.00 5.00 -ATOM 166 CA SER A 85 11.056 -13.238 14.640 1.00 5.00 -ATOM 167 CB SER A 85 10.900 -11.877 14.848 1.00 5.00 -ATOM 168 CA VAL A 86 8.960 -15.577 12.336 1.00 5.00 -ATOM 169 CB VAL A 86 8.827 -16.831 13.260 1.00 5.00 -ATOM 170 CA ARG A 87 5.824 -15.529 10.142 1.00 5.00 -ATOM 171 CB ARG A 87 6.933 -13.580 7.594 1.00 5.00 -ATOM 172 CA ALA A 88 2.751 -16.944 12.209 1.00 5.00 -ATOM 173 CB ALA A 88 2.050 -16.504 12.089 1.00 5.00 -ATOM 174 CA ASN A 89 2.620 -20.338 10.495 1.00 5.00 -ATOM 175 CB ASN A 89 2.248 -20.003 8.554 1.00 5.00 -ATOM 176 CA VAL A 90 6.145 -21.509 11.151 1.00 5.00 -ATOM 177 CB VAL A 90 7.133 -20.691 10.348 1.00 5.00 -ATOM 178 CA PRO A 91 7.643 -23.083 14.517 1.00 5.00 -ATOM 179 CB PRO A 91 7.863 -24.004 13.479 1.00 5.00 -ATOM 180 CA PRO A 92 9.865 -20.908 16.890 1.00 5.00 -ATOM 181 CB PRO A 92 9.201 -21.764 17.835 1.00 5.00 -ATOM 182 CA PRO A 93 13.557 -21.723 15.636 1.00 5.00 -ATOM 183 CB PRO A 93 13.094 -20.591 14.906 1.00 5.00 -ATOM 184 CA PRO A 94 15.168 -23.017 18.899 1.00 5.00 -ATOM 185 CB PRO A 94 15.987 -24.007 18.340 1.00 5.00 -ATOM 186 CA SER A 95 16.081 -19.552 19.848 1.00 5.00 -ATOM 187 CB SER A 95 16.833 -18.518 19.776 1.00 5.00 -ATOM 188 CA LEU A 96 12.637 -18.263 19.518 1.00 5.00 -ATOM 189 CB LEU A 96 11.902 -17.149 17.894 1.00 5.00 -ATOM 190 CA ARG A 97 11.657 -20.770 21.991 1.00 5.00 -ATOM 191 CB ARG A 97 11.351 -23.497 23.826 1.00 5.00 -ATOM 192 CA ASN A 98 14.450 -19.815 24.471 1.00 5.00 -ATOM 193 CB ASN A 98 16.237 -20.579 23.884 1.00 5.00 -ATOM 194 CA VAL A 99 13.615 -15.991 24.343 1.00 5.00 -ATOM 195 CB VAL A 99 13.649 -14.535 24.010 1.00 5.00 -ATOM 196 CA LEU A 100 9.974 -16.999 24.521 1.00 5.00 -ATOM 197 CB LEU A 100 8.445 -17.805 23.251 1.00 5.00 -ATOM 198 CA ALA A 101 11.050 -19.424 27.197 1.00 5.00 -ATOM 199 CB ALA A 101 11.713 -19.934 27.329 1.00 5.00 -ATOM 200 CA ALA A 102 13.005 -16.675 29.000 1.00 5.00 -ATOM 201 CB ALA A 102 13.508 -16.136 29.130 1.00 5.00 -ATOM 202 CA VAL A 103 9.895 -14.349 29.051 1.00 5.00 -ATOM 203 CB VAL A 103 10.084 -13.957 27.668 1.00 5.00 -ATOM 204 CA LYS A 104 8.170 -17.387 30.442 1.00 5.00 -ATOM 205 CB LYS A 104 7.301 -19.453 28.327 1.00 5.00 -ATOM 206 CA ASN A 105 10.590 -17.664 33.361 1.00 5.00 -ATOM 207 CB ASN A 105 12.405 -18.045 33.105 1.00 5.00 -ATOM 208 CA CYS A 106 10.646 -13.778 33.887 1.00 5.00 -ATOM 209 CB CYS A 106 11.972 -13.621 33.249 1.00 5.00 -ATOM 210 CA TYR A 107 6.756 -13.183 33.554 1.00 5.00 -ATOM 211 CB TYR A 107 6.725 -10.594 31.282 1.00 5.00 -ATOM 212 CA PRO A 108 4.668 -16.108 34.910 1.00 5.00 -ATOM 213 CB PRO A 108 5.902 -16.425 35.607 1.00 5.00 -ATOM 214 CA GLU A 109 1.922 -13.334 35.050 1.00 5.00 -ATOM 215 CB GLU A 109 0.408 -11.577 35.494 1.00 5.00 -ATOM 216 CA ALA A 110 1.352 -13.493 31.316 1.00 5.00 -ATOM 217 CB ALA A 110 1.563 -13.133 30.640 1.00 5.00 -ATOM 218 CA ARG A 111 -0.733 -15.104 28.536 1.00 5.00 -ATOM 219 CB ARG A 111 -1.843 -13.347 25.695 1.00 5.00 -ATOM 220 CA MET A 112 1.972 -16.791 26.201 1.00 5.00 -ATOM 221 CB MET A 112 3.063 -16.372 28.509 1.00 5.00 -ATOM 222 CA SER A 113 0.412 -18.395 23.108 1.00 5.00 -ATOM 223 CB SER A 113 -0.170 -18.226 21.814 1.00 5.00 -ATOM 224 CA GLY A 114 2.676 -20.665 21.183 1.00 5.00 -ATOM 225 CA HIS A 115 4.296 -18.639 18.467 1.00 5.00 -ATOM 226 CB HIS A 115 3.560 -19.206 15.907 1.00 5.00 -ATOM 227 CA GLY A 116 7.171 -16.539 17.588 1.00 5.00 -ATOM 228 CA CYS A 117 5.388 -13.557 16.023 1.00 5.00 -ATOM 229 CB CYS A 117 4.094 -13.153 16.309 1.00 5.00 -ATOM 230 CA LEU A 118 7.342 -10.693 17.439 1.00 5.00 -ATOM 231 CB LEU A 118 8.431 -12.028 18.757 1.00 5.00 -ATOM 232 CA GLU A 119 5.611 -7.787 15.772 1.00 5.00 -ATOM 233 CB GLU A 119 3.848 -9.208 14.948 1.00 5.00 -ATOM 234 CA LYS A 120 3.227 -7.070 18.506 1.00 5.00 -ATOM 235 CB LYS A 120 2.033 -8.937 19.071 1.00 5.00 -ATOM 236 CA TRP A 121 6.554 -6.049 20.610 1.00 5.00 -ATOM 237 CB TRP A 121 8.056 -8.683 22.024 1.00 5.00 -ATOM 238 CA ALA A 122 7.507 -4.043 17.513 1.00 5.00 -ATOM 239 CB ALA A 122 8.023 -4.241 16.999 1.00 5.00 -ATOM 240 CA ARG A 123 4.301 -1.748 18.115 1.00 5.00 -ATOM 241 CB ARG A 123 3.500 -3.314 15.091 1.00 5.00 -ATOM 242 CA ASP A 124 5.155 -1.887 21.754 1.00 5.00 -ATOM 243 CB ASP A 124 4.026 -3.616 22.138 1.00 5.00 -ATOM 244 CA GLY A 125 8.069 0.150 20.917 1.00 5.00 -ATOM 245 CA VAL A 126 10.793 -2.816 20.930 1.00 5.00 -ATOM 246 CB VAL A 126 10.246 -3.836 21.863 1.00 5.00 -ATOM 247 CA LEU A 127 13.206 -2.679 17.859 1.00 5.00 -ATOM 248 CB LEU A 127 13.224 -1.057 16.626 1.00 5.00 -ATOM 249 CA LEU A 128 13.854 -6.173 17.047 1.00 5.00 -ATOM 250 CB LEU A 128 12.354 -7.226 18.059 1.00 5.00 -ATOM 251 CA LEU A 129 16.800 -5.450 14.607 1.00 5.00 -ATOM 252 CB LEU A 129 16.977 -3.312 14.918 1.00 5.00 -ATOM 253 CA ASN A 130 18.841 -7.666 12.288 1.00 5.00 -ATOM 254 CB ASN A 130 17.167 -7.718 11.135 1.00 5.00 -ATOM 255 CA THR A 131 22.306 -6.146 11.656 1.00 5.00 -ATOM 256 CB THR A 131 23.248 -5.811 12.729 1.00 5.00 -ATOM 257 CA THR A 132 22.203 -7.870 8.143 1.00 5.00 -ATOM 258 CB THR A 132 22.462 -9.177 7.654 1.00 5.00 -ATOM 259 CA LEU A 133 19.045 -7.046 6.459 1.00 5.00 -ATOM 260 CB LEU A 133 18.130 -5.237 7.205 1.00 5.00 -ATOM 261 CA THR A 134 19.809 -9.064 3.687 1.00 5.00 -ATOM 262 CB THR A 134 20.462 -8.453 2.570 1.00 5.00 -ATOM 263 CA VAL A 135 19.968 -12.872 2.971 1.00 5.00 -ATOM 264 CB VAL A 135 19.597 -13.821 4.056 1.00 5.00 -ATOM 265 CA LYS A 136 20.362 -15.387 0.137 1.00 5.00 -ATOM 266 CB LYS A 136 22.809 -15.677 -1.606 1.00 5.00 -ATOM 267 CA ARG A 137 18.237 -18.612 -0.033 1.00 5.00 -ATOM 268 CB ARG A 137 14.770 -17.894 -0.353 1.00 5.00 -ATOM 269 CA GLY A 138 20.179 -21.537 1.547 1.00 5.00 -ATOM 270 CA ALA A 139 23.327 -19.792 2.505 1.00 5.00 -ATOM 271 CB ALA A 139 23.628 -19.810 1.809 1.00 5.00 -ATOM 272 CA ALA A 140 23.554 -18.900 6.031 1.00 5.00 -ATOM 273 CB ALA A 140 23.855 -19.380 6.541 1.00 5.00 -ATOM 274 CA ALA A 141 25.771 -15.770 5.864 1.00 5.00 -ATOM 275 CB ALA A 141 26.539 -15.804 5.648 1.00 5.00 -ATOM 276 CA SER A 142 26.664 -15.479 2.474 1.00 5.00 -ATOM 277 CB SER A 142 26.051 -16.030 1.416 1.00 5.00 -ATOM 278 CA HIS A 143 25.309 -11.962 2.239 1.00 5.00 -ATOM 279 CB HIS A 143 23.970 -10.439 0.408 1.00 5.00 -ATOM 280 CA SER A 144 27.003 -10.441 5.381 1.00 5.00 -ATOM 281 CB SER A 144 26.739 -11.452 6.261 1.00 5.00 -ATOM 282 CA ARG A 145 30.185 -9.055 3.550 1.00 5.00 -ATOM 283 CB ARG A 145 30.528 -12.444 2.937 1.00 5.00 -ATOM 284 CA ILE A 146 28.071 -6.409 1.741 1.00 5.00 -ATOM 285 CB ILE A 146 26.371 -6.213 0.878 1.00 5.00 -ATOM 286 CA GLY A 147 28.210 -3.431 3.888 1.00 5.00 -ATOM 287 CA TRP A 148 24.705 -3.457 5.076 1.00 5.00 -ATOM 288 CB TRP A 148 21.518 -3.576 4.229 1.00 5.00 -ATOM 289 CA ASP A 149 26.209 -3.579 8.769 1.00 5.00 -ATOM 290 CB ASP A 149 27.836 -4.261 7.930 1.00 5.00 -ATOM 291 CA ARG A 150 27.246 0.221 8.585 1.00 5.00 -ATOM 292 CB ARG A 150 28.458 3.673 8.104 1.00 5.00 -ATOM 293 CA PHE A 151 23.963 1.399 7.191 1.00 5.00 -ATOM 294 CB PHE A 151 21.755 0.835 5.226 1.00 5.00 -ATOM 295 CA VAL A 152 22.704 -0.795 9.961 1.00 5.00 -ATOM 296 CB VAL A 152 22.941 -2.105 9.294 1.00 5.00 -ATOM 297 CA GLY A 153 24.744 1.012 12.674 1.00 5.00 -ATOM 298 CA GLY A 154 24.617 4.420 11.353 1.00 5.00 -ATOM 299 CA VAL A 155 20.566 4.378 11.657 1.00 5.00 -ATOM 300 CB VAL A 155 20.044 3.184 11.120 1.00 5.00 -ATOM 301 CA ILE A 156 21.417 3.093 15.373 1.00 5.00 -ATOM 302 CB ILE A 156 21.354 1.236 16.152 1.00 5.00 -ATOM 303 CA ARG A 157 24.073 6.014 15.497 1.00 5.00 -ATOM 304 CB ARG A 157 26.339 3.390 15.817 1.00 5.00 -ATOM 305 CA ARG A 158 21.263 8.351 14.930 1.00 5.00 -ATOM 306 CB ARG A 158 22.494 8.269 11.738 1.00 5.00 -ATOM 307 CA LEU A 159 18.752 6.633 17.121 1.00 5.00 -ATOM 308 CB LEU A 159 17.728 4.889 16.723 1.00 5.00 -ATOM 309 CA ALA A 160 21.068 6.759 20.146 1.00 5.00 -ATOM 310 CB ALA A 160 21.469 6.145 20.199 1.00 5.00 -ATOM 311 CA ALA A 161 21.713 10.605 19.927 1.00 5.00 -ATOM 312 CB ALA A 161 22.373 10.899 19.644 1.00 5.00 -ATOM 313 CA ARG A 162 18.107 10.938 19.286 1.00 5.00 -ATOM 314 CB ARG A 162 18.224 14.321 18.768 1.00 5.00 -ATOM 315 CA ARG A 163 16.753 9.181 22.323 1.00 5.00 -ATOM 316 CB ARG A 163 13.894 7.325 22.207 1.00 5.00 -ATOM 317 CA PRO A 164 18.618 9.413 25.574 1.00 5.00 -ATOM 318 CB PRO A 164 17.992 10.666 25.269 1.00 5.00 -ATOM 319 CA GLY A 165 17.552 6.420 27.671 1.00 5.00 -ATOM 320 CA LEU A 166 17.167 3.270 25.723 1.00 5.00 -ATOM 321 CB LEU A 166 16.689 3.774 23.692 1.00 5.00 -ATOM 322 CA VAL A 167 17.509 -0.554 26.598 1.00 5.00 -ATOM 323 CB VAL A 167 16.211 -0.602 27.298 1.00 5.00 -ATOM 324 CA PHE A 168 19.680 -2.294 24.259 1.00 5.00 -ATOM 325 CB PHE A 168 21.541 -1.391 22.090 1.00 5.00 -ATOM 326 CA MET A 169 19.513 -5.838 24.667 1.00 5.00 -ATOM 327 CB MET A 169 18.076 -7.439 24.983 1.00 5.00 -ATOM 328 CA LEU A 170 23.013 -7.187 23.236 1.00 5.00 -ATOM 329 CB LEU A 170 24.068 -5.498 23.283 1.00 5.00 -ATOM 330 CA TRP A 171 22.734 -10.893 22.704 1.00 5.00 -ATOM 331 CB TRP A 171 19.909 -10.178 20.607 1.00 5.00 -ATOM 332 CA GLY A 172 26.304 -11.961 21.919 1.00 5.00 -ATOM 333 CA THR A 173 30.128 -11.473 21.470 1.00 5.00 -ATOM 334 CB THR A 173 31.323 -11.630 22.373 1.00 5.00 -ATOM 335 CA HIS A 174 29.173 -10.829 17.868 1.00 5.00 -ATOM 336 CB HIS A 174 29.806 -11.069 15.140 1.00 5.00 -ATOM 337 CA ALA A 175 26.625 -8.189 19.015 1.00 5.00 -ATOM 338 CB ALA A 175 26.215 -8.686 19.394 1.00 5.00 -ATOM 339 CA GLN A 176 28.437 -7.077 22.032 1.00 5.00 -ATOM 340 CB GLN A 176 28.237 -9.180 23.795 1.00 5.00 -ATOM 341 CA ASN A 177 31.345 -6.247 19.611 1.00 5.00 -ATOM 342 CB ASN A 177 33.300 -6.161 19.266 1.00 5.00 -ATOM 343 CA ALA A 178 29.229 -5.179 16.689 1.00 5.00 -ATOM 344 CB ALA A 178 28.806 -5.785 16.617 1.00 5.00 -ATOM 345 CA ILE A 179 27.343 -2.362 18.556 1.00 5.00 -ATOM 346 CB ILE A 179 26.291 -2.153 17.121 1.00 5.00 -ATOM 347 CA ARG A 180 28.531 0.024 21.096 1.00 5.00 -ATOM 348 CB ARG A 180 31.430 -0.779 22.692 1.00 5.00 -ATOM 349 CA PRO A 181 25.970 2.319 22.726 1.00 5.00 -ATOM 350 CB PRO A 181 25.844 0.984 23.342 1.00 5.00 -ATOM 351 CA ASP A 182 26.709 4.846 25.463 1.00 5.00 -ATOM 352 CB ASP A 182 27.227 6.741 25.177 1.00 5.00 -ATOM 353 CA PRO A 183 26.278 2.988 28.676 1.00 5.00 -ATOM 354 CB PRO A 183 27.548 2.641 28.088 1.00 5.00 -ATOM 355 CA ARG A 184 26.317 6.220 30.872 1.00 5.00 -ATOM 356 CB ARG A 184 28.747 8.056 30.123 1.00 5.00 -ATOM 357 CA VAL A 185 23.272 7.095 28.734 1.00 5.00 -ATOM 358 CB VAL A 185 23.795 8.181 27.932 1.00 5.00 -ATOM 359 CA HIS A 186 21.607 3.541 28.305 1.00 5.00 -ATOM 360 CB HIS A 186 22.688 4.306 25.940 1.00 5.00 -ATOM 361 CA CYS A 187 20.835 0.182 29.855 1.00 5.00 -ATOM 362 CB CYS A 187 19.781 -0.660 30.359 1.00 5.00 -ATOM 363 CA VAL A 188 22.718 -1.980 27.370 1.00 5.00 -ATOM 364 CB VAL A 188 24.182 -1.658 27.311 1.00 5.00 -ATOM 365 CA LEU A 189 21.883 -5.816 28.433 1.00 5.00 -ATOM 366 CB LEU A 189 19.834 -5.390 28.791 1.00 5.00 -ATOM 367 CA LYS A 190 24.865 -7.901 27.212 1.00 5.00 -ATOM 368 CB LYS A 190 27.552 -6.821 26.309 1.00 5.00 -ATOM 369 CA PHE A 191 24.077 -11.628 27.331 1.00 5.00 -ATOM 370 CB PHE A 191 21.347 -11.794 26.166 1.00 5.00 -ATOM 371 CA SER A 192 25.851 -15.031 26.512 1.00 5.00 -ATOM 372 CB SER A 192 26.704 -15.777 27.240 1.00 5.00 -ATOM 373 CA HIS A 193 23.914 -15.911 23.069 1.00 5.00 -ATOM 374 CB HIS A 193 24.204 -15.401 20.486 1.00 5.00 -ATOM 375 CA PRO A 194 20.164 -17.095 22.614 1.00 5.00 -ATOM 376 CB PRO A 194 19.983 -15.729 22.309 1.00 5.00 -ATOM 377 CA SER A 195 21.151 -20.527 21.209 1.00 5.00 -ATOM 378 CB SER A 195 22.381 -21.040 20.741 1.00 5.00 -ATOM 379 CA PRO A 196 21.297 -23.748 23.095 1.00 5.00 -ATOM 380 CB PRO A 196 20.849 -24.195 21.789 1.00 5.00 -ATOM 381 CA LEU A 197 24.972 -23.853 22.731 1.00 5.00 -ATOM 382 CB LEU A 197 26.945 -23.421 22.185 1.00 5.00 -ATOM 383 CA SER A 198 25.785 -21.453 25.417 1.00 5.00 -ATOM 384 CB SER A 198 25.796 -20.224 25.020 1.00 5.00 -ATOM 385 CA LYS A 199 27.302 -21.516 28.932 1.00 5.00 -ATOM 386 CB LYS A 199 29.004 -21.342 30.942 1.00 5.00 -ATOM 387 CA VAL A 200 23.968 -20.382 30.468 1.00 5.00 -ATOM 388 CB VAL A 200 23.340 -19.027 30.706 1.00 5.00 -ATOM 389 CA PRO A 201 20.703 -22.217 30.100 1.00 5.00 -ATOM 390 CB PRO A 201 20.827 -22.410 31.481 1.00 5.00 -ATOM 391 CA PHE A 202 19.448 -19.019 28.186 1.00 5.00 -ATOM 392 CB PHE A 202 18.291 -16.689 26.660 1.00 5.00 -ATOM 393 CA GLY A 203 16.145 -19.382 30.015 1.00 5.00 -ATOM 394 CA THR A 204 18.104 -17.828 33.090 1.00 5.00 -ATOM 395 CB THR A 204 19.271 -18.535 33.823 1.00 5.00 -ATOM 396 CA CYS A 205 18.580 -14.382 31.556 1.00 5.00 -ATOM 397 CB CYS A 205 19.455 -14.540 30.542 1.00 5.00 -ATOM 398 CA GLN A 206 16.509 -11.601 32.681 1.00 5.00 -ATOM 399 CB GLN A 206 16.317 -10.211 34.710 1.00 5.00 -ATOM 400 CA HIS A 207 16.791 -8.477 30.961 1.00 5.00 -ATOM 401 CB HIS A 207 19.281 -9.338 30.377 1.00 5.00 -ATOM 402 CA PHE A 208 12.918 -8.114 30.425 1.00 5.00 -ATOM 403 CB PHE A 208 13.839 -10.538 28.837 1.00 5.00 -ATOM 404 CA LEU A 209 12.516 -8.056 34.136 1.00 5.00 -ATOM 405 CB LEU A 209 10.879 -8.609 35.014 1.00 5.00 -ATOM 406 CA VAL A 210 15.284 -5.152 34.436 1.00 5.00 -ATOM 407 CB VAL A 210 16.539 -5.504 33.793 1.00 5.00 -ATOM 408 CA ALA A 211 14.109 -3.623 31.103 1.00 5.00 -ATOM 409 CB ALA A 211 13.791 -4.131 30.687 1.00 5.00 -ATOM 410 CA ASN A 212 10.575 -3.471 32.712 1.00 5.00 -ATOM 411 CB ASN A 212 10.377 -5.113 31.715 1.00 5.00 -ATOM 412 CA ARG A 213 12.034 -1.530 35.668 1.00 5.00 -ATOM 413 CB ARG A 213 14.573 -1.563 37.891 1.00 5.00 -ATOM 414 CA TYR A 214 14.318 0.900 34.167 1.00 5.00 -ATOM 415 CB TYR A 214 16.226 2.411 31.709 1.00 5.00 -ATOM 416 CA LEU A 215 11.453 1.729 31.919 1.00 5.00 -ATOM 417 CB LEU A 215 10.527 0.758 30.469 1.00 5.00 -ATOM 418 CA GLU A 216 9.322 2.692 35.223 1.00 5.00 -ATOM 419 CB GLU A 216 9.972 0.601 37.059 1.00 5.00 -ATOM 420 CA THR A 217 12.117 4.716 36.557 1.00 5.00 -ATOM 421 CB THR A 217 13.167 3.789 36.559 1.00 5.00 -ATOM 422 CA ARG A 218 12.432 7.006 33.666 1.00 5.00 -ATOM 423 CB ARG A 218 13.198 5.104 30.985 1.00 5.00 -ATOM 424 CA SER A 219 8.866 7.747 33.341 1.00 5.00 -ATOM 425 CB SER A 219 8.582 8.615 32.401 1.00 5.00 -ATOM 426 CA ILE A 220 8.151 5.519 30.207 1.00 5.00 -ATOM 427 CB ILE A 220 9.401 5.283 28.825 1.00 5.00 -ATOM 428 CA SER A 221 5.800 2.547 30.768 1.00 5.00 -ATOM 429 CB SER A 221 5.151 2.310 29.696 1.00 5.00 -ATOM 430 CA PRO A 222 6.702 -1.359 31.005 1.00 5.00 -ATOM 431 CB PRO A 222 5.437 -1.144 31.546 1.00 5.00 -ATOM 432 CA ILE A 223 6.873 -3.600 27.970 1.00 5.00 -ATOM 433 CB ILE A 223 8.655 -4.252 27.786 1.00 5.00 -ATOM 434 CA ASP A 224 4.022 -6.356 27.963 1.00 5.00 -ATOM 435 CB ASP A 224 2.032 -5.895 27.943 1.00 5.00 -ATOM 436 CA TRP A 225 6.218 -9.209 26.772 1.00 5.00 -ATOM 437 CB TRP A 225 9.859 -8.692 25.964 1.00 5.00 -ATOM 438 CA SER A 226 2.885 -11.368 26.316 1.00 5.00 -ATOM 439 CB SER A 226 1.812 -10.718 26.143 1.00 5.00 -ATOM 440 CA VAL A 227 3.558 -13.205 23.172 1.00 5.00 -ATOM 441 CB VAL A 227 5.057 -13.422 22.867 1.00 5.00 +REMARK CLUSTER 6 FREE ENERGY -1.37499E+01 AVE RMSD 0.00 +REMARK clustering ENERGY -1.13153E+01 RMS 0.00 +ATOM 1 CA ASP A 1 -0.678 9.269 2.054 1.00 5.00 +ATOM 2 CB ASP A 1 -2.689 9.289 2.328 1.00 5.00 +ATOM 3 CA TRP A 2 1.339 6.115 2.706 1.00 5.00 +ATOM 4 CB TRP A 2 4.165 6.103 4.590 1.00 5.00 +ATOM 5 CA THR A 3 0.813 4.659 -0.796 1.00 5.00 +ATOM 6 CB THR A 3 -0.489 4.841 -1.473 1.00 5.00 +ATOM 7 CA THR A 4 3.184 7.305 -2.318 1.00 5.00 +ATOM 8 CB THR A 4 3.317 8.728 -2.162 1.00 5.00 +ATOM 9 CA PHE A 5 6.110 6.437 0.067 1.00 5.00 +ATOM 10 CB PHE A 5 7.974 7.130 2.204 1.00 5.00 +ATOM 11 CA ARG A 6 5.296 2.756 -0.403 1.00 5.00 +ATOM 12 CB ARG A 6 4.215 -0.409 -1.023 1.00 5.00 +ATOM 13 CA ARG A 7 5.296 3.428 -4.136 1.00 5.00 +ATOM 14 CB ARG A 7 4.256 0.337 -4.971 1.00 5.00 +ATOM 15 CA VAL A 8 8.416 5.437 -4.171 1.00 5.00 +ATOM 16 CB VAL A 8 8.626 6.897 -3.791 1.00 5.00 +ATOM 17 CA PHE A 9 10.697 3.138 -2.126 1.00 5.00 +ATOM 18 CB PHE A 9 12.113 5.381 -0.854 1.00 5.00 +ATOM 19 CA LEU A 10 8.984 -0.247 -2.813 1.00 5.00 +ATOM 20 CB LEU A 10 9.762 -1.023 -4.510 1.00 5.00 +ATOM 21 CA ILE A 11 7.895 -1.487 0.817 1.00 5.00 +ATOM 22 CB ILE A 11 7.859 0.324 1.363 1.00 5.00 +ATOM 23 CA ASP A 12 6.466 -4.697 1.984 1.00 5.00 +ATOM 24 CB ASP A 12 7.679 -5.988 3.029 1.00 5.00 +ATOM 25 CA ASP A 13 3.315 -3.330 3.708 1.00 5.00 +ATOM 26 CB ASP A 13 1.742 -2.165 3.311 1.00 5.00 +ATOM 27 CA ALA A 14 4.593 -5.905 6.450 1.00 5.00 +ATOM 28 CB ALA A 14 4.858 -6.545 6.249 1.00 5.00 +ATOM 29 CA TRP A 15 6.429 -3.028 8.089 1.00 5.00 +ATOM 30 CB TRP A 15 9.423 -1.431 8.129 1.00 5.00 +ATOM 31 CA ARG A 16 3.854 -0.101 8.033 1.00 5.00 +ATOM 32 CB ARG A 16 1.620 0.893 5.894 1.00 5.00 +ATOM 33 CA PRO A 17 2.871 -0.160 11.534 1.00 5.00 +ATOM 34 CB PRO A 17 3.269 -1.535 11.571 1.00 5.00 +ATOM 35 CA LEU A 18 6.318 1.091 12.632 1.00 5.00 +ATOM 36 CB LEU A 18 6.690 -0.041 14.401 1.00 5.00 +ATOM 37 CA MET A 19 6.873 2.829 9.246 1.00 5.00 +ATOM 38 CB MET A 19 6.451 2.274 7.363 1.00 5.00 +ATOM 39 CA GLU A 20 4.026 5.332 9.240 1.00 5.00 +ATOM 40 CB GLU A 20 1.707 5.771 9.832 1.00 5.00 +ATOM 41 CA PRO A 21 4.818 7.043 12.627 1.00 5.00 +ATOM 42 CB PRO A 21 5.313 5.839 12.907 1.00 5.00 +ATOM 43 CA GLU A 22 7.868 8.587 11.038 1.00 5.00 +ATOM 44 CB GLU A 22 9.576 7.381 12.381 1.00 5.00 +ATOM 45 CA LEU A 23 5.911 10.080 8.262 1.00 5.00 +ATOM 46 CB LEU A 23 5.752 10.275 6.109 1.00 5.00 +ATOM 47 CA ALA A 24 3.974 11.969 10.861 1.00 5.00 +ATOM 48 CB ALA A 24 4.269 11.676 11.472 1.00 5.00 +ATOM 49 CA ASN A 25 7.322 13.878 11.736 1.00 5.00 +ATOM 50 CB ASN A 25 8.716 12.639 12.582 1.00 5.00 +ATOM 51 CA PRO A 26 8.568 17.087 10.497 1.00 5.00 +ATOM 52 CB PRO A 26 7.804 17.494 11.572 1.00 5.00 +ATOM 53 CA LEU A 27 12.138 16.093 10.226 1.00 5.00 +ATOM 54 CB LEU A 27 13.429 15.280 11.637 1.00 5.00 +ATOM 55 CA THR A 28 10.570 13.194 8.042 1.00 5.00 +ATOM 56 CB THR A 28 9.929 11.978 8.236 1.00 5.00 +ATOM 57 CA ALA A 29 9.621 15.453 5.392 1.00 5.00 +ATOM 58 CB ALA A 29 9.151 15.947 4.999 1.00 5.00 +ATOM 59 CA HIS A 30 12.755 17.376 5.697 1.00 5.00 +ATOM 60 CB HIS A 30 11.300 19.008 7.181 1.00 5.00 +ATOM 61 CA LEU A 31 14.774 13.945 5.451 1.00 5.00 +ATOM 62 CB LEU A 31 14.771 11.993 5.961 1.00 5.00 +ATOM 63 CA LEU A 32 12.729 13.103 2.251 1.00 5.00 +ATOM 64 CB LEU A 32 11.926 11.462 1.223 1.00 5.00 +ATOM 65 CA ALA A 33 13.624 16.597 0.631 1.00 5.00 +ATOM 66 CB ALA A 33 13.475 17.290 0.958 1.00 5.00 +ATOM 67 CA GLU A 34 17.348 15.907 1.271 1.00 5.00 +ATOM 68 CB GLU A 34 18.186 16.385 3.435 1.00 5.00 +ATOM 69 CA TYR A 35 17.041 12.486 -0.020 1.00 5.00 +ATOM 70 CB TYR A 35 17.553 9.229 0.356 1.00 5.00 +ATOM 71 CA ASN A 36 15.841 13.831 -3.459 1.00 5.00 +ATOM 72 CB ASN A 36 14.409 12.357 -3.773 1.00 5.00 +ATOM 73 CA ARG A 37 17.944 17.033 -4.143 1.00 5.00 +ATOM 74 CB ARG A 37 14.902 18.269 -2.902 1.00 5.00 +ATOM 75 CA ARG A 38 21.019 14.855 -3.627 1.00 5.00 +ATOM 76 CB ARG A 38 21.240 15.942 -0.633 1.00 5.00 +ATOM 77 CA CYS A 39 19.727 12.290 -6.286 1.00 5.00 +ATOM 78 CB CYS A 39 19.292 11.022 -6.627 1.00 5.00 +ATOM 79 CA GLN A 40 20.124 15.313 -8.636 1.00 5.00 +ATOM 80 CB GLN A 40 18.080 14.478 -10.521 1.00 5.00 +ATOM 81 CA THR A 41 23.514 16.714 -7.089 1.00 5.00 +ATOM 82 CB THR A 41 23.406 17.512 -5.826 1.00 5.00 +ATOM 83 CA GLU A 42 25.310 13.552 -6.651 1.00 5.00 +ATOM 84 CB GLU A 42 24.550 13.497 -4.453 1.00 5.00 +ATOM 85 CA GLU A 43 25.490 9.688 -7.418 1.00 5.00 +ATOM 86 CB GLU A 43 27.681 8.368 -8.048 1.00 5.00 +ATOM 87 CA VAL A 44 23.858 7.640 -4.808 1.00 5.00 +ATOM 88 CB VAL A 44 22.740 8.026 -4.006 1.00 5.00 +ATOM 89 CA LEU A 45 24.665 4.110 -3.971 1.00 5.00 +ATOM 90 CB LEU A 45 25.646 2.289 -4.606 1.00 5.00 +ATOM 91 CA PRO A 46 21.558 2.222 -2.929 1.00 5.00 +ATOM 92 CB PRO A 46 21.182 3.294 -2.086 1.00 5.00 +ATOM 93 CA PRO A 47 19.726 1.933 -6.151 1.00 5.00 +ATOM 94 CB PRO A 47 20.498 0.780 -6.457 1.00 5.00 +ATOM 95 CA ARG A 48 16.522 3.411 -4.747 1.00 5.00 +ATOM 96 CB ARG A 48 15.395 6.511 -6.084 1.00 5.00 +ATOM 97 CA GLU A 49 14.627 0.280 -5.248 1.00 5.00 +ATOM 98 CB GLU A 49 13.663 0.624 -7.374 1.00 5.00 +ATOM 99 CA ASP A 50 17.193 -1.702 -3.344 1.00 5.00 +ATOM 100 CB ASP A 50 19.179 -1.377 -3.552 1.00 5.00 +ATOM 101 CA VAL A 51 17.287 0.821 -0.472 1.00 5.00 +ATOM 102 CB VAL A 51 16.979 2.204 -0.857 1.00 5.00 +ATOM 103 CA PHE A 52 14.054 -0.485 1.137 1.00 5.00 +ATOM 104 CB PHE A 52 12.361 1.091 3.134 1.00 5.00 +ATOM 105 CA SER A 53 14.542 -4.145 0.348 1.00 5.00 +ATOM 106 CB SER A 53 15.861 -4.203 0.289 1.00 5.00 +ATOM 107 CA TRP A 54 15.042 -4.816 3.934 1.00 5.00 +ATOM 108 CB TRP A 54 15.164 -1.948 5.518 1.00 5.00 +ATOM 109 CA THR A 55 11.455 -4.894 5.012 1.00 5.00 +ATOM 110 CB THR A 55 10.865 -3.532 4.766 1.00 5.00 +ATOM 111 CA ARG A 56 10.801 -7.095 1.684 1.00 5.00 +ATOM 112 CB ARG A 56 11.142 -3.830 0.472 1.00 5.00 +ATOM 113 CA TYR A 57 12.191 -10.458 2.908 1.00 5.00 +ATOM 114 CB TYR A 57 14.897 -8.616 1.921 1.00 5.00 +ATOM 115 CA CYS A 58 10.647 -11.246 6.145 1.00 5.00 +ATOM 116 CB CYS A 58 11.568 -10.948 7.020 1.00 5.00 +ATOM 117 CA THR A 59 8.023 -9.421 8.309 1.00 5.00 +ATOM 118 CB THR A 59 7.258 -10.621 8.786 1.00 5.00 +ATOM 119 CA PRO A 60 8.414 -7.673 11.653 1.00 5.00 +ATOM 120 CB PRO A 60 7.505 -6.734 11.136 1.00 5.00 +ATOM 121 CA ASP A 61 7.166 -10.598 13.525 1.00 5.00 +ATOM 122 CB ASP A 61 5.253 -10.286 14.231 1.00 5.00 +ATOM 123 CA GLU A 62 9.203 -12.936 11.681 1.00 5.00 +ATOM 124 CB GLU A 62 9.207 -14.428 9.964 1.00 5.00 +ATOM 125 CA VAL A 63 12.645 -11.089 12.739 1.00 5.00 +ATOM 126 CB VAL A 63 13.013 -9.661 12.770 1.00 5.00 +ATOM 127 CA ARG A 64 14.565 -12.589 15.570 1.00 5.00 +ATOM 128 CB ARG A 64 13.929 -15.934 14.949 1.00 5.00 +ATOM 129 CA VAL A 65 18.264 -11.491 15.166 1.00 5.00 +ATOM 130 CB VAL A 65 19.315 -12.313 14.611 1.00 5.00 +ATOM 131 CA VAL A 66 18.790 -7.725 14.502 1.00 5.00 +ATOM 132 CB VAL A 66 17.534 -6.800 14.740 1.00 5.00 +ATOM 133 CA ILE A 67 22.186 -6.682 13.212 1.00 5.00 +ATOM 134 CB ILE A 67 22.980 -8.073 12.179 1.00 5.00 +ATOM 135 CA ILE A 68 23.394 -2.889 12.764 1.00 5.00 +ATOM 136 CB ILE A 68 23.111 -1.472 14.095 1.00 5.00 +ATOM 137 CA GLY A 69 25.775 -1.301 10.247 1.00 5.00 +ATOM 138 CA GLN A 70 26.815 2.101 9.448 1.00 5.00 +ATOM 139 CB GLN A 70 27.056 4.376 8.790 1.00 5.00 +ATOM 140 CA ASP A 71 26.254 2.708 5.798 1.00 5.00 +ATOM 141 CB ASP A 71 28.151 2.743 5.339 1.00 5.00 +ATOM 142 CA PRO A 72 25.872 1.062 2.241 1.00 5.00 +ATOM 143 CB PRO A 72 24.981 2.042 1.705 1.00 5.00 +ATOM 144 CA TYR A 73 29.175 -0.224 0.736 1.00 5.00 +ATOM 145 CB TYR A 73 28.695 -3.470 1.602 1.00 5.00 +ATOM 146 CA HIS A 74 29.799 2.648 -1.689 1.00 5.00 +ATOM 147 CB HIS A 74 31.637 4.709 -1.137 1.00 5.00 +ATOM 148 CA HIS A 75 30.999 1.389 -5.128 1.00 5.00 +ATOM 149 CB HIS A 75 33.073 1.248 -3.352 1.00 5.00 +ATOM 150 CA PRO A 76 28.640 0.366 -7.841 1.00 5.00 +ATOM 151 CB PRO A 76 29.728 0.601 -8.770 1.00 5.00 +ATOM 152 CA GLY A 77 27.525 -3.164 -7.082 1.00 5.00 +ATOM 153 CA GLN A 78 28.985 -3.433 -3.646 1.00 5.00 +ATOM 154 CB GLN A 78 30.328 -1.446 -2.213 1.00 5.00 +ATOM 155 CA ALA A 79 25.574 -2.413 -1.962 1.00 5.00 +ATOM 156 CB ALA A 79 25.356 -1.789 -1.588 1.00 5.00 +ATOM 157 CA HIS A 80 22.143 -3.876 -2.238 1.00 5.00 +ATOM 158 CB HIS A 80 22.499 -6.357 -1.059 1.00 5.00 +ATOM 159 CA GLY A 81 20.434 -2.156 0.730 1.00 5.00 +ATOM 160 CA LEU A 82 21.373 -4.308 3.583 1.00 5.00 +ATOM 161 CB LEU A 82 19.903 -5.593 4.000 1.00 5.00 +ATOM 162 CA ALA A 83 24.469 -4.054 5.874 1.00 5.00 +ATOM 163 CB ALA A 83 24.224 -3.587 6.369 1.00 5.00 +ATOM 164 CA PHE A 84 27.633 -5.944 5.583 1.00 5.00 +ATOM 165 CB PHE A 84 27.506 -7.664 7.826 1.00 5.00 +ATOM 166 CA SER A 85 25.730 -8.144 2.679 1.00 5.00 +ATOM 167 CB SER A 85 25.386 -6.950 2.763 1.00 5.00 +ATOM 168 CA VAL A 86 27.160 -7.843 -0.731 1.00 5.00 +ATOM 169 CB VAL A 86 28.610 -7.725 -1.049 1.00 5.00 +ATOM 170 CA ARG A 87 25.512 -9.021 -4.008 1.00 5.00 +ATOM 171 CB ARG A 87 22.616 -7.917 -4.023 1.00 5.00 +ATOM 172 CA ALA A 88 26.621 -12.324 -5.927 1.00 5.00 +ATOM 173 CB ALA A 88 26.757 -12.828 -6.587 1.00 5.00 +ATOM 174 CA ASN A 89 29.598 -10.627 -8.012 1.00 5.00 +ATOM 175 CB ASN A 89 30.076 -9.134 -9.143 1.00 5.00 +ATOM 176 CA VAL A 90 31.375 -8.535 -5.518 1.00 5.00 +ATOM 177 CB VAL A 90 30.923 -7.052 -5.430 1.00 5.00 +ATOM 178 CA PRO A 91 33.850 -10.451 -3.468 1.00 5.00 +ATOM 179 CB PRO A 91 34.838 -9.525 -3.817 1.00 5.00 +ATOM 180 CA PRO A 92 32.505 -9.995 0.154 1.00 5.00 +ATOM 181 CB PRO A 92 32.501 -11.410 0.340 1.00 5.00 +ATOM 182 CA PRO A 93 34.687 -7.139 1.526 1.00 5.00 +ATOM 183 CB PRO A 93 33.471 -6.421 1.820 1.00 5.00 +ATOM 184 CA PRO A 94 37.446 -7.865 4.128 1.00 5.00 +ATOM 185 CB PRO A 94 38.368 -7.105 3.421 1.00 5.00 +ATOM 186 CA SER A 95 34.797 -7.355 6.746 1.00 5.00 +ATOM 187 CB SER A 95 34.465 -6.353 7.605 1.00 5.00 +ATOM 188 CA LEU A 96 32.315 -9.898 5.235 1.00 5.00 +ATOM 189 CB LEU A 96 30.349 -10.631 4.893 1.00 5.00 +ATOM 190 CA ARG A 97 34.935 -12.336 4.607 1.00 5.00 +ATOM 191 CB ARG A 97 37.682 -12.792 2.401 1.00 5.00 +ATOM 192 CA ASN A 98 35.691 -12.157 8.421 1.00 5.00 +ATOM 193 CB ASN A 98 36.383 -10.480 9.186 1.00 5.00 +ATOM 194 CA VAL A 99 32.082 -12.268 9.178 1.00 5.00 +ATOM 195 CB VAL A 99 31.292 -11.422 10.107 1.00 5.00 +ATOM 196 CA LEU A 100 31.714 -15.069 6.815 1.00 5.00 +ATOM 197 CB LEU A 100 32.107 -15.778 4.901 1.00 5.00 +ATOM 198 CA ALA A 101 34.699 -16.779 8.541 1.00 5.00 +ATOM 199 CB ALA A 101 35.335 -16.569 8.919 1.00 5.00 +ATOM 200 CA ALA A 102 33.189 -16.260 11.909 1.00 5.00 +ATOM 201 CB ALA A 102 33.392 -15.462 12.216 1.00 5.00 +ATOM 202 CA VAL A 103 30.106 -17.848 10.883 1.00 5.00 +ATOM 203 CB VAL A 103 29.120 -17.288 9.836 1.00 5.00 +ATOM 204 CA LYS A 104 32.112 -20.751 9.731 1.00 5.00 +ATOM 205 CB LYS A 104 32.652 -21.712 6.855 1.00 5.00 +ATOM 206 CA ASN A 105 34.403 -21.174 13.056 1.00 5.00 +ATOM 207 CB ASN A 105 34.995 -19.421 13.272 1.00 5.00 +ATOM 208 CA CYS A 106 31.262 -21.389 15.185 1.00 5.00 +ATOM 209 CB CYS A 106 30.914 -20.007 15.067 1.00 5.00 +ATOM 210 CA TYR A 107 29.611 -24.244 12.622 1.00 5.00 +ATOM 211 CB TYR A 107 28.628 -22.280 10.128 1.00 5.00 +ATOM 212 CA PRO A 108 32.690 -26.212 11.241 1.00 5.00 +ATOM 213 CB PRO A 108 33.127 -26.222 12.526 1.00 5.00 +ATOM 214 CA GLU A 109 30.115 -28.120 9.117 1.00 5.00 +ATOM 215 CB GLU A 109 29.584 -30.009 7.370 1.00 5.00 +ATOM 216 CA ALA A 110 28.431 -25.120 7.309 1.00 5.00 +ATOM 217 CB ALA A 110 28.903 -24.556 7.112 1.00 5.00 +ATOM 218 CA ARG A 111 29.078 -26.321 3.732 1.00 5.00 +ATOM 219 CB ARG A 111 28.516 -28.752 3.315 1.00 5.00 +ATOM 220 CA MET A 112 29.707 -22.656 2.450 1.00 5.00 +ATOM 221 CB MET A 112 29.458 -21.082 3.572 1.00 5.00 +ATOM 222 CA SER A 113 29.729 -21.214 -1.201 1.00 5.00 +ATOM 223 CB SER A 113 28.675 -21.599 -1.816 1.00 5.00 +ATOM 224 CA GLY A 114 32.339 -18.278 -0.988 1.00 5.00 +ATOM 225 CA HIS A 115 29.716 -15.540 -1.721 1.00 5.00 +ATOM 226 CB HIS A 115 29.547 -16.016 -4.438 1.00 5.00 +ATOM 227 CA GLY A 116 28.816 -12.798 0.725 1.00 5.00 +ATOM 228 CA CYS A 117 25.077 -12.788 -0.272 1.00 5.00 +ATOM 229 CB CYS A 117 24.935 -14.240 -0.305 1.00 5.00 +ATOM 230 CA LEU A 118 23.488 -12.581 3.247 1.00 5.00 +ATOM 231 CB LEU A 118 24.334 -12.341 5.146 1.00 5.00 +ATOM 232 CA GLU A 119 19.895 -12.506 1.814 1.00 5.00 +ATOM 233 CB GLU A 119 20.844 -11.867 -0.182 1.00 5.00 +ATOM 234 CA LYS A 120 19.480 -16.189 3.096 1.00 5.00 +ATOM 235 CB LYS A 120 20.900 -18.262 2.246 1.00 5.00 +ATOM 236 CA TRP A 121 19.735 -14.741 6.736 1.00 5.00 +ATOM 237 CB TRP A 121 22.995 -16.557 6.804 1.00 5.00 +ATOM 238 CA ALA A 122 17.597 -11.729 5.537 1.00 5.00 +ATOM 239 CB ALA A 122 17.572 -11.018 5.231 1.00 5.00 +ATOM 240 CA ARG A 123 14.779 -14.239 4.700 1.00 5.00 +ATOM 241 CB ARG A 123 13.047 -13.331 1.826 1.00 5.00 +ATOM 242 CA ASP A 124 15.520 -16.481 7.635 1.00 5.00 +ATOM 243 CB ASP A 124 17.289 -17.549 7.443 1.00 5.00 +ATOM 244 CA GLY A 125 15.158 -13.739 10.113 1.00 5.00 +ATOM 245 CA VAL A 126 18.115 -11.564 10.319 1.00 5.00 +ATOM 246 CB VAL A 126 19.278 -12.138 9.762 1.00 5.00 +ATOM 247 CA LEU A 127 17.985 -7.805 10.120 1.00 5.00 +ATOM 248 CB LEU A 127 16.448 -6.328 10.137 1.00 5.00 +ATOM 249 CA LEU A 128 21.242 -6.552 8.469 1.00 5.00 +ATOM 250 CB LEU A 128 22.569 -7.388 7.570 1.00 5.00 +ATOM 251 CA LEU A 129 20.026 -2.905 8.379 1.00 5.00 +ATOM 252 CB LEU A 129 18.296 -1.971 8.980 1.00 5.00 +ATOM 253 CA ASN A 130 22.041 0.286 8.032 1.00 5.00 +ATOM 254 CB ASN A 130 22.792 0.581 6.395 1.00 5.00 +ATOM 255 CA THR A 131 21.740 3.151 10.305 1.00 5.00 +ATOM 256 CB THR A 131 22.355 3.422 11.584 1.00 5.00 +ATOM 257 CA THR A 132 22.424 5.639 7.292 1.00 5.00 +ATOM 258 CB THR A 132 23.674 6.277 6.967 1.00 5.00 +ATOM 259 CA LEU A 133 20.738 3.943 4.427 1.00 5.00 +ATOM 260 CB LEU A 133 18.712 3.472 4.295 1.00 5.00 +ATOM 261 CA THR A 134 22.333 6.225 1.903 1.00 5.00 +ATOM 262 CB THR A 134 21.689 7.389 1.280 1.00 5.00 +ATOM 263 CA VAL A 135 25.990 6.988 0.896 1.00 5.00 +ATOM 264 CB VAL A 135 27.014 6.127 1.438 1.00 5.00 +ATOM 265 CA LYS A 136 27.645 9.225 -1.962 1.00 5.00 +ATOM 266 CB LYS A 136 28.000 12.179 -2.360 1.00 5.00 +ATOM 267 CA ARG A 137 29.137 6.721 -4.524 1.00 5.00 +ATOM 268 CB ARG A 137 30.798 5.143 -7.332 1.00 5.00 +ATOM 269 CA GLY A 138 32.781 7.185 -4.194 1.00 5.00 +ATOM 270 CA ALA A 139 32.044 9.340 -1.061 1.00 5.00 +ATOM 271 CB ALA A 139 31.873 10.185 -1.108 1.00 5.00 +ATOM 272 CA ALA A 140 31.787 7.199 2.086 1.00 5.00 +ATOM 273 CB ALA A 140 32.224 6.729 2.526 1.00 5.00 +ATOM 274 CA ALA A 141 29.481 8.752 4.787 1.00 5.00 +ATOM 275 CB ALA A 141 30.107 8.714 5.141 1.00 5.00 +ATOM 276 CA SER A 142 28.491 11.626 2.689 1.00 5.00 +ATOM 277 CB SER A 142 28.454 11.911 1.403 1.00 5.00 +ATOM 278 CA HIS A 143 24.754 11.592 3.185 1.00 5.00 +ATOM 279 CB HIS A 143 23.302 11.632 0.803 1.00 5.00 +ATOM 280 CA SER A 144 24.885 10.156 6.787 1.00 5.00 +ATOM 281 CB SER A 144 26.141 10.491 7.043 1.00 5.00 +ATOM 282 CA ARG A 145 24.083 13.118 9.016 1.00 5.00 +ATOM 283 CB ARG A 145 26.950 11.917 10.471 1.00 5.00 +ATOM 284 CA ILE A 146 20.857 13.421 7.138 1.00 5.00 +ATOM 285 CB ILE A 146 20.344 12.240 5.911 1.00 5.00 +ATOM 286 CA GLY A 147 18.858 12.137 9.888 1.00 5.00 +ATOM 287 CA TRP A 148 19.032 8.693 8.622 1.00 5.00 +ATOM 288 CB TRP A 148 17.032 7.421 5.716 1.00 5.00 +ATOM 289 CA ASP A 149 19.863 7.247 11.993 1.00 5.00 +ATOM 290 CB ASP A 149 21.191 8.406 12.870 1.00 5.00 +ATOM 291 CA ARG A 150 16.869 9.189 13.471 1.00 5.00 +ATOM 292 CB ARG A 150 14.527 9.819 15.829 1.00 5.00 +ATOM 293 CA PHE A 151 14.432 7.454 11.122 1.00 5.00 +ATOM 294 CB PHE A 151 12.261 6.948 9.168 1.00 5.00 +ATOM 295 CA VAL A 152 16.111 4.120 11.615 1.00 5.00 +ATOM 296 CB VAL A 152 16.929 3.527 10.583 1.00 5.00 +ATOM 297 CA GLY A 153 16.086 4.453 15.467 1.00 5.00 +ATOM 298 CA GLY A 154 12.205 5.352 15.271 1.00 5.00 +ATOM 299 CA VAL A 155 11.313 1.910 13.568 1.00 5.00 +ATOM 300 CB VAL A 155 11.898 2.117 12.237 1.00 5.00 +ATOM 301 CA ILE A 156 14.068 -0.199 15.323 1.00 5.00 +ATOM 302 CB ILE A 156 15.540 0.084 14.172 1.00 5.00 +ATOM 303 CA ARG A 157 13.031 1.342 18.668 1.00 5.00 +ATOM 304 CB ARG A 157 12.307 3.224 21.265 1.00 5.00 +ATOM 305 CA ARG A 158 9.410 0.665 17.852 1.00 5.00 +ATOM 306 CB ARG A 158 8.639 3.812 16.841 1.00 5.00 +ATOM 307 CA LEU A 159 10.073 -2.751 16.355 1.00 5.00 +ATOM 308 CB LEU A 159 10.946 -3.513 15.057 1.00 5.00 +ATOM 309 CA ALA A 160 11.950 -3.788 19.626 1.00 5.00 +ATOM 310 CB ALA A 160 12.135 -3.020 19.771 1.00 5.00 +ATOM 311 CA ALA A 161 8.755 -2.464 21.411 1.00 5.00 +ATOM 312 CB ALA A 161 9.117 -1.831 21.226 1.00 5.00 +ATOM 313 CA ARG A 162 6.461 -4.966 19.542 1.00 5.00 +ATOM 314 CB ARG A 162 5.044 -6.005 16.590 1.00 5.00 +ATOM 315 CA ARG A 163 8.997 -7.834 19.830 1.00 5.00 +ATOM 316 CB ARG A 163 9.281 -10.102 17.227 1.00 5.00 +ATOM 317 CA PRO A 164 10.606 -9.105 22.988 1.00 5.00 +ATOM 318 CB PRO A 164 9.322 -8.615 23.388 1.00 5.00 +ATOM 319 CA GLY A 165 12.742 -11.950 22.146 1.00 5.00 +ATOM 320 CA LEU A 166 15.150 -10.652 19.665 1.00 5.00 +ATOM 321 CB LEU A 166 14.385 -9.560 18.049 1.00 5.00 +ATOM 322 CA VAL A 167 19.128 -10.893 19.583 1.00 5.00 +ATOM 323 CB VAL A 167 19.398 -12.264 19.031 1.00 5.00 +ATOM 324 CA PHE A 168 20.655 -7.538 18.646 1.00 5.00 +ATOM 325 CB PHE A 168 18.029 -6.076 19.217 1.00 5.00 +ATOM 326 CA MET A 169 24.203 -8.476 17.410 1.00 5.00 +ATOM 327 CB MET A 169 25.727 -9.106 15.742 1.00 5.00 +ATOM 328 CA LEU A 170 25.598 -4.915 17.770 1.00 5.00 +ATOM 329 CB LEU A 170 24.486 -3.732 19.004 1.00 5.00 +ATOM 330 CA TRP A 171 29.285 -4.570 16.213 1.00 5.00 +ATOM 331 CB TRP A 171 27.724 -4.925 13.345 1.00 5.00 +ATOM 332 CA GLY A 172 31.459 -1.624 17.622 1.00 5.00 +ATOM 333 CA THR A 173 31.428 1.215 19.826 1.00 5.00 +ATOM 334 CB THR A 173 32.935 1.376 19.883 1.00 5.00 +ATOM 335 CA HIS A 174 29.809 3.353 17.057 1.00 5.00 +ATOM 336 CB HIS A 174 29.190 2.045 14.703 1.00 5.00 +ATOM 337 CA ALA A 175 27.014 0.671 16.745 1.00 5.00 +ATOM 338 CB ALA A 175 27.044 -0.105 16.681 1.00 5.00 +ATOM 339 CA GLN A 176 26.670 0.303 20.543 1.00 5.00 +ATOM 340 CB GLN A 176 28.358 -1.858 20.178 1.00 5.00 +ATOM 341 CA ASN A 177 26.151 4.110 20.794 1.00 5.00 +ATOM 342 CB ASN A 177 27.908 4.844 21.281 1.00 5.00 +ATOM 343 CA ALA A 178 23.308 3.975 18.430 1.00 5.00 +ATOM 344 CB ALA A 178 23.629 4.034 17.811 1.00 5.00 +ATOM 345 CA ILE A 179 21.320 0.920 19.764 1.00 5.00 +ATOM 346 CB ILE A 179 20.427 -0.516 18.898 1.00 5.00 +ATOM 347 CA ARG A 180 20.957 0.114 23.389 1.00 5.00 +ATOM 348 CB ARG A 180 20.592 0.781 26.714 1.00 5.00 +ATOM 349 CA PRO A 181 17.852 -2.010 23.347 1.00 5.00 +ATOM 350 CB PRO A 181 18.868 -2.622 22.581 1.00 5.00 +ATOM 351 CA ASP A 182 16.592 -2.761 26.783 1.00 5.00 +ATOM 352 CB ASP A 182 15.286 -4.056 25.687 1.00 5.00 +ATOM 353 CA PRO A 183 19.056 -5.246 27.889 1.00 5.00 +ATOM 354 CB PRO A 183 19.661 -4.170 28.695 1.00 5.00 +ATOM 355 CA ARG A 184 16.935 -7.410 30.183 1.00 5.00 +ATOM 356 CB ARG A 184 17.140 -7.474 33.541 1.00 5.00 +ATOM 357 CA VAL A 185 14.375 -8.431 27.481 1.00 5.00 +ATOM 358 CB VAL A 185 13.124 -7.881 27.038 1.00 5.00 +ATOM 359 CA HIS A 186 16.576 -8.448 24.268 1.00 5.00 +ATOM 360 CB HIS A 186 14.279 -7.456 22.970 1.00 5.00 +ATOM 361 CA CYS A 187 19.658 -10.463 23.781 1.00 5.00 +ATOM 362 CB CYS A 187 20.193 -11.729 23.524 1.00 5.00 +ATOM 363 CA VAL A 188 22.065 -7.628 22.689 1.00 5.00 +ATOM 364 CB VAL A 188 22.042 -6.503 23.732 1.00 5.00 +ATOM 365 CA LEU A 189 25.088 -9.846 21.785 1.00 5.00 +ATOM 366 CB LEU A 189 24.661 -11.396 20.824 1.00 5.00 +ATOM 367 CA LYS A 190 27.784 -7.264 21.710 1.00 5.00 +ATOM 368 CB LYS A 190 26.534 -4.849 22.948 1.00 5.00 +ATOM 369 CA PHE A 191 31.345 -7.712 19.934 1.00 5.00 +ATOM 370 CB PHE A 191 32.854 -10.206 20.912 1.00 5.00 +ATOM 371 CA SER A 192 34.327 -5.886 18.642 1.00 5.00 +ATOM 372 CB SER A 192 35.388 -6.068 19.252 1.00 5.00 +ATOM 373 CA HIS A 193 34.329 -4.324 14.883 1.00 5.00 +ATOM 374 CB HIS A 193 33.160 -3.261 12.696 1.00 5.00 +ATOM 375 CA PRO A 194 34.824 -7.255 12.661 1.00 5.00 +ATOM 376 CB PRO A 194 33.500 -7.398 12.215 1.00 5.00 +ATOM 377 CA SER A 195 37.337 -5.403 10.243 1.00 5.00 +ATOM 378 CB SER A 195 37.740 -4.186 10.080 1.00 5.00 +ATOM 379 CA PRO A 196 40.587 -7.021 11.298 1.00 5.00 +ATOM 380 CB PRO A 196 40.607 -7.783 10.060 1.00 5.00 +ATOM 381 CA LEU A 197 42.402 -3.897 12.318 1.00 5.00 +ATOM 382 CB LEU A 197 42.295 -2.448 10.701 1.00 5.00 +ATOM 383 CA SER A 198 40.123 -3.423 15.464 1.00 5.00 +ATOM 384 CB SER A 198 38.888 -3.780 15.473 1.00 5.00 +ATOM 385 CA LYS A 199 42.035 -5.417 18.100 1.00 5.00 +ATOM 386 CB LYS A 199 41.510 -4.152 20.830 1.00 5.00 +ATOM 387 CA VAL A 200 40.295 -8.826 17.989 1.00 5.00 +ATOM 388 CB VAL A 200 39.120 -9.497 18.781 1.00 5.00 +ATOM 389 CA PRO A 201 40.272 -11.088 14.886 1.00 5.00 +ATOM 390 CB PRO A 201 41.387 -11.639 15.559 1.00 5.00 +ATOM 391 CA PHE A 202 36.612 -11.273 14.127 1.00 5.00 +ATOM 392 CB PHE A 202 33.850 -10.663 14.902 1.00 5.00 +ATOM 393 CA GLY A 203 37.093 -15.061 13.577 1.00 5.00 +ATOM 394 CA THR A 204 37.001 -15.368 17.337 1.00 5.00 +ATOM 395 CB THR A 204 37.973 -14.540 17.902 1.00 5.00 +ATOM 396 CA CYS A 205 33.196 -14.675 18.083 1.00 5.00 +ATOM 397 CB CYS A 205 32.424 -14.665 16.878 1.00 5.00 +ATOM 398 CA GLN A 206 30.354 -17.129 19.345 1.00 5.00 +ATOM 399 CB GLN A 206 31.517 -17.035 21.828 1.00 5.00 +ATOM 400 CA HIS A 207 27.544 -14.736 18.409 1.00 5.00 +ATOM 401 CB HIS A 207 28.219 -12.071 17.967 1.00 5.00 +ATOM 402 CA PHE A 208 25.946 -16.668 15.791 1.00 5.00 +ATOM 403 CB PHE A 208 26.233 -14.422 13.655 1.00 5.00 +ATOM 404 CA LEU A 209 26.324 -19.906 18.032 1.00 5.00 +ATOM 405 CB LEU A 209 27.591 -20.976 19.036 1.00 5.00 +ATOM 406 CA VAL A 210 25.111 -18.189 21.396 1.00 5.00 +ATOM 407 CB VAL A 210 26.060 -17.751 22.436 1.00 5.00 +ATOM 408 CA ALA A 211 22.393 -16.306 19.288 1.00 5.00 +ATOM 409 CB ALA A 211 22.805 -16.636 18.695 1.00 5.00 +ATOM 410 CA ASN A 212 21.201 -19.868 18.526 1.00 5.00 +ATOM 411 CB ASN A 212 22.320 -20.109 16.797 1.00 5.00 +ATOM 412 CA ARG A 213 21.382 -20.908 22.230 1.00 5.00 +ATOM 413 CB ARG A 213 24.475 -21.913 23.286 1.00 5.00 +ATOM 414 CA TYR A 214 19.213 -18.020 23.056 1.00 5.00 +ATOM 415 CB TYR A 214 17.675 -15.012 22.818 1.00 5.00 +ATOM 416 CA LEU A 215 16.764 -18.635 20.558 1.00 5.00 +ATOM 417 CB LEU A 215 17.442 -18.263 18.661 1.00 5.00 +ATOM 418 CA GLU A 216 16.545 -22.265 21.892 1.00 5.00 +ATOM 419 CB GLU A 216 18.648 -22.646 20.899 1.00 5.00 +ATOM 420 CA THR A 217 15.475 -21.264 25.538 1.00 5.00 +ATOM 421 CB THR A 217 16.277 -20.137 26.068 1.00 5.00 +ATOM 422 CA ARG A 218 12.657 -19.056 23.855 1.00 5.00 +ATOM 423 CB ARG A 218 13.902 -15.803 24.907 1.00 5.00 +ATOM 424 CA SER A 219 11.257 -21.904 22.009 1.00 5.00 +ATOM 425 CB SER A 219 10.072 -21.886 21.499 1.00 5.00 +ATOM 426 CA ILE A 220 12.257 -21.102 18.371 1.00 5.00 +ATOM 427 CB ILE A 220 12.515 -19.165 18.438 1.00 5.00 +ATOM 428 CA SER A 221 14.368 -23.035 15.654 1.00 5.00 +ATOM 429 CB SER A 221 14.505 -22.883 14.389 1.00 5.00 +ATOM 430 CA PRO A 222 17.867 -21.965 15.052 1.00 5.00 +ATOM 431 CB PRO A 222 18.176 -23.316 15.431 1.00 5.00 +ATOM 432 CA ILE A 223 18.525 -19.735 11.967 1.00 5.00 +ATOM 433 CB ILE A 223 18.139 -17.936 12.033 1.00 5.00 +ATOM 434 CA ASP A 224 20.885 -21.780 9.654 1.00 5.00 +ATOM 435 CB ASP A 224 19.627 -23.109 8.688 1.00 5.00 +ATOM 436 CA TRP A 225 23.627 -19.431 8.940 1.00 5.00 +ATOM 437 CB TRP A 225 22.864 -17.854 12.136 1.00 5.00 +ATOM 438 CA SER A 226 24.660 -20.885 5.599 1.00 5.00 +ATOM 439 CB SER A 226 24.220 -22.020 5.276 1.00 5.00 +ATOM 440 CA VAL A 227 25.670 -18.336 2.846 1.00 5.00 +ATOM 441 CB VAL A 227 26.279 -16.962 3.049 1.00 5.00 TER TER -ATOM 442 CA THR C 1 41.865 -17.460 39.551 1.00 5.00 -ATOM 443 CB THR C 1 41.932 -16.251 40.525 1.00 5.00 -ATOM 444 CA ASN C 2 39.128 -19.528 37.951 1.00 5.00 -ATOM 445 CB ASN C 2 37.772 -20.862 38.626 1.00 5.00 -ATOM 446 CA LEU C 3 36.053 -17.443 39.075 1.00 5.00 -ATOM 447 CB LEU C 3 36.581 -17.164 40.724 1.00 5.00 -ATOM 448 CA SER C 4 37.565 -14.652 36.878 1.00 5.00 -ATOM 449 CB SER C 4 38.308 -13.848 36.198 1.00 5.00 -ATOM 450 CA ASP C 5 37.908 -17.367 34.175 1.00 5.00 -ATOM 451 CB ASP C 5 39.431 -18.612 34.757 1.00 5.00 -ATOM 452 CA ILE C 6 34.099 -17.833 34.549 1.00 5.00 -ATOM 453 CB ILE C 6 33.253 -18.363 35.894 1.00 5.00 -ATOM 454 CA ILE C 7 33.220 -14.147 33.895 1.00 5.00 -ATOM 455 CB ILE C 7 33.243 -13.135 35.484 1.00 5.00 -ATOM 456 CA GLU C 8 36.043 -14.482 31.375 1.00 5.00 -ATOM 457 CB GLU C 8 38.386 -14.791 31.307 1.00 5.00 -ATOM 458 CA LYS C 9 34.090 -16.715 29.459 1.00 5.00 -ATOM 459 CB LYS C 9 35.694 -19.020 29.705 1.00 5.00 -ATOM 460 CA GLU C 10 30.663 -14.782 30.082 1.00 5.00 -ATOM 461 CB GLU C 10 30.329 -16.985 31.047 1.00 5.00 -ATOM 462 CA THR C 11 31.646 -11.127 28.834 1.00 5.00 -ATOM 463 CB THR C 11 30.981 -10.040 29.638 1.00 5.00 -ATOM 464 CA GLY C 12 34.740 -12.169 27.010 1.00 5.00 -ATOM 465 CA LYS C 13 37.150 -9.937 29.178 1.00 5.00 -ATOM 466 CB LYS C 13 34.998 -8.338 29.432 1.00 5.00 -ATOM 467 CA GLN C 14 40.282 -9.822 31.546 1.00 5.00 -ATOM 468 CB GLN C 14 40.012 -7.602 30.840 1.00 5.00 -ATOM 469 CA LEU C 15 38.232 -9.326 34.820 1.00 5.00 -ATOM 470 CB LEU C 15 36.273 -8.971 35.057 1.00 5.00 -ATOM 471 CA VAL C 16 40.584 -9.299 38.043 1.00 5.00 -ATOM 472 CB VAL C 16 41.908 -8.377 38.014 1.00 5.00 -ATOM 473 CA ILE C 17 38.395 -9.885 41.363 1.00 5.00 -ATOM 474 CB ILE C 17 37.110 -11.217 41.169 1.00 5.00 -ATOM 475 CA GLN C 18 38.618 -6.893 43.384 1.00 5.00 -ATOM 476 CB GLN C 18 38.314 -4.588 41.962 1.00 5.00 -ATOM 477 CA GLU C 19 36.307 -7.678 46.217 1.00 5.00 -ATOM 478 CB GLU C 19 35.998 -6.376 48.250 1.00 5.00 -ATOM 479 CA SER C 20 34.933 -10.941 48.167 1.00 5.00 -ATOM 480 CB SER C 20 35.859 -11.733 48.451 1.00 5.00 -ATOM 481 CA ILE C 21 31.692 -9.360 49.474 1.00 5.00 -ATOM 482 CB ILE C 21 31.731 -7.533 48.868 1.00 5.00 -ATOM 483 CA LEU C 22 29.271 -11.726 51.324 1.00 5.00 -ATOM 484 CB LEU C 22 29.495 -13.675 52.071 1.00 5.00 -ATOM 485 CA MET C 23 25.472 -11.562 50.461 1.00 5.00 -ATOM 486 CB MET C 23 25.247 -9.566 48.972 1.00 5.00 -ATOM 487 CA LEU C 24 22.561 -12.924 52.672 1.00 5.00 -ATOM 488 CB LEU C 24 22.177 -12.482 54.681 1.00 5.00 -ATOM 489 CA PRO C 25 19.490 -14.226 50.853 1.00 5.00 -ATOM 490 CB PRO C 25 20.057 -15.469 51.222 1.00 5.00 -ATOM 491 CA GLU C 26 17.499 -11.593 52.020 1.00 5.00 -ATOM 492 CB GLU C 26 17.591 -11.349 54.352 1.00 5.00 -ATOM 493 CA GLU C 27 19.609 -8.658 50.763 1.00 5.00 -ATOM 494 CB GLU C 27 20.972 -8.390 53.181 1.00 5.00 -ATOM 495 CA VAL C 28 20.288 -10.542 47.439 1.00 5.00 -ATOM 496 CB VAL C 28 21.160 -11.685 47.800 1.00 5.00 -ATOM 497 CA GLU C 29 16.534 -11.091 46.880 1.00 5.00 -ATOM 498 CB GLU C 29 16.200 -13.360 47.733 1.00 5.00 -ATOM 499 CA GLU C 30 16.230 -7.280 46.745 1.00 5.00 -ATOM 500 CB GLU C 30 16.309 -4.914 46.687 1.00 5.00 -ATOM 501 CA VAL C 31 18.502 -7.033 43.791 1.00 5.00 -ATOM 502 CB VAL C 31 19.875 -6.475 43.942 1.00 5.00 -ATOM 503 CA ILE C 32 19.017 -10.111 41.420 1.00 5.00 -ATOM 504 CB ILE C 32 19.651 -11.427 42.641 1.00 5.00 -ATOM 505 CA GLY C 33 15.242 -10.923 41.839 1.00 5.00 -ATOM 506 CA ASN C 34 14.943 -14.578 43.117 1.00 5.00 -ATOM 507 CB ASN C 34 14.362 -16.105 41.948 1.00 5.00 -ATOM 508 CA LYS C 35 16.141 -17.056 45.863 1.00 5.00 -ATOM 509 CB LYS C 35 15.707 -19.692 47.423 1.00 5.00 -ATOM 510 CA PRO C 36 19.062 -19.728 45.506 1.00 5.00 -ATOM 511 CB PRO C 36 19.810 -18.504 45.644 1.00 5.00 -ATOM 512 CA GLU C 37 19.125 -21.037 48.983 1.00 5.00 -ATOM 513 CB GLU C 37 17.651 -21.211 50.801 1.00 5.00 -ATOM 514 CA SER C 38 22.120 -19.532 50.038 1.00 5.00 -ATOM 515 CB SER C 38 22.811 -19.195 48.907 1.00 5.00 -ATOM 516 CA ASP C 39 24.535 -17.054 51.065 1.00 5.00 -ATOM 517 CB ASP C 39 24.467 -16.230 52.840 1.00 5.00 -ATOM 518 CA ILE C 40 26.156 -15.644 47.893 1.00 5.00 -ATOM 519 CB ILE C 40 25.021 -15.372 46.420 1.00 5.00 -ATOM 520 CA LEU C 41 29.980 -14.214 47.830 1.00 5.00 -ATOM 521 CB LEU C 41 31.410 -15.674 47.897 1.00 5.00 -ATOM 522 CA VAL C 42 29.419 -11.103 45.429 1.00 5.00 -ATOM 523 CB VAL C 42 28.822 -9.756 45.232 1.00 5.00 -ATOM 524 CA HIS C 43 32.831 -11.476 43.859 1.00 5.00 -ATOM 525 CB HIS C 43 33.382 -14.203 44.287 1.00 5.00 -ATOM 526 CA THR C 44 33.131 -7.892 42.116 1.00 5.00 -ATOM 527 CB THR C 44 32.143 -7.151 42.743 1.00 5.00 -ATOM 528 CA ALA C 45 35.879 -6.613 39.323 1.00 5.00 -ATOM 529 CB ALA C 45 35.698 -7.335 39.051 1.00 5.00 -ATOM 530 CA TYR C 46 35.380 -3.319 37.671 1.00 5.00 -ATOM 531 CB TYR C 46 34.628 -0.283 36.595 1.00 5.00 -ATOM 532 CA ASP C 47 35.691 -3.240 33.649 1.00 5.00 -ATOM 533 CB ASP C 47 35.233 -4.265 31.957 1.00 5.00 -ATOM 534 CA GLU C 48 37.261 0.285 33.398 1.00 5.00 -ATOM 535 CB GLU C 48 37.264 2.648 33.972 1.00 5.00 -ATOM 536 CA SER C 49 36.890 0.326 29.415 1.00 5.00 -ATOM 537 CB SER C 49 36.928 -0.970 29.366 1.00 5.00 -ATOM 538 CA THR C 50 33.082 0.491 29.468 1.00 5.00 -ATOM 539 CB THR C 50 32.662 -0.374 28.212 1.00 5.00 -ATOM 540 CA ASP C 51 32.413 1.988 32.842 1.00 5.00 -ATOM 541 CB ASP C 51 31.005 3.209 32.671 1.00 5.00 -ATOM 542 CA GLU C 52 30.778 -0.862 34.566 1.00 5.00 -ATOM 543 CB GLU C 52 29.970 -1.870 32.035 1.00 5.00 -ATOM 544 CA ASN C 53 30.852 -3.644 37.231 1.00 5.00 -ATOM 545 CB ASN C 53 30.429 -3.400 39.174 1.00 5.00 -ATOM 546 CA VAL C 54 30.224 -7.483 36.625 1.00 5.00 -ATOM 547 CB VAL C 54 30.432 -8.466 35.513 1.00 5.00 -ATOM 548 CA MET C 55 29.224 -8.569 40.286 1.00 5.00 -ATOM 549 CB MET C 55 28.084 -7.173 41.146 1.00 5.00 -ATOM 550 CA LEU C 56 29.690 -12.448 39.729 1.00 5.00 -ATOM 551 CB LEU C 56 30.595 -14.339 39.599 1.00 5.00 -ATOM 552 CA LEU C 57 27.419 -13.817 42.863 1.00 5.00 -ATOM 553 CB LEU C 57 26.248 -12.187 42.638 1.00 5.00 -ATOM 554 CA THR C 58 29.238 -16.962 43.889 1.00 5.00 -ATOM 555 CB THR C 58 30.511 -17.359 43.437 1.00 5.00 -ATOM 556 CA SER C 59 27.638 -19.338 46.462 1.00 5.00 -ATOM 557 CB SER C 59 26.872 -19.966 45.564 1.00 5.00 -ATOM 558 CA ASP C 60 30.144 -19.982 49.664 1.00 5.00 -ATOM 559 CB ASP C 60 29.676 -19.825 51.571 1.00 5.00 -ATOM 560 CA ALA C 61 33.794 -20.791 50.580 1.00 5.00 -ATOM 561 CB ALA C 61 33.854 -20.150 51.100 1.00 5.00 -ATOM 562 CA PRO C 62 34.328 -24.598 49.807 1.00 5.00 -ATOM 563 CB PRO C 62 33.994 -24.808 51.119 1.00 5.00 -ATOM 564 CA GLU C 63 31.645 -24.783 47.171 1.00 5.00 -ATOM 565 CB GLU C 63 29.451 -23.886 47.118 1.00 5.00 -ATOM 566 CA TYR C 64 32.383 -21.605 45.249 1.00 5.00 -ATOM 567 CB TYR C 64 34.953 -20.949 47.237 1.00 5.00 -ATOM 568 CA LYS C 65 29.412 -21.889 42.854 1.00 5.00 -ATOM 569 CB LYS C 65 28.864 -24.135 41.854 1.00 5.00 -ATOM 570 CA PRO C 66 28.169 -19.795 40.011 1.00 5.00 -ATOM 571 CB PRO C 66 28.306 -20.972 39.252 1.00 5.00 -ATOM 572 CA TRP C 67 24.857 -18.630 40.993 1.00 5.00 -ATOM 573 CB TRP C 67 21.460 -18.677 41.456 1.00 5.00 -ATOM 574 CA ALA C 68 24.582 -15.364 39.072 1.00 5.00 -ATOM 575 CB ALA C 68 24.284 -14.914 39.470 1.00 5.00 -ATOM 576 CA LEU C 69 26.326 -12.879 36.863 1.00 5.00 -ATOM 577 CB LEU C 69 27.549 -12.931 35.139 1.00 5.00 -ATOM 578 CA VAL C 70 25.334 -9.259 37.946 1.00 5.00 -ATOM 579 CB VAL C 70 24.332 -8.509 38.800 1.00 5.00 -ATOM 580 CA ILE C 71 26.226 -7.136 34.836 1.00 5.00 -ATOM 581 CB ILE C 71 26.381 -8.264 33.209 1.00 5.00 -ATOM 582 CA GLN C 72 26.212 -3.475 35.867 1.00 5.00 -ATOM 583 CB GLN C 72 26.383 -3.099 38.268 1.00 5.00 -ATOM 584 CA ASP C 73 26.010 -0.360 34.041 1.00 5.00 -ATOM 585 CB ASP C 73 24.833 0.124 32.472 1.00 5.00 -ATOM 586 CA SER C 74 27.032 3.147 34.737 1.00 5.00 -ATOM 587 CB SER C 74 26.787 3.402 33.474 1.00 5.00 -ATOM 588 CA ASN C 75 23.646 4.572 35.771 1.00 5.00 -ATOM 589 CB ASN C 75 22.699 4.263 34.020 1.00 5.00 -ATOM 590 CA GLY C 76 22.787 2.156 38.383 1.00 5.00 -ATOM 591 CA GLU C 77 21.237 -0.157 35.597 1.00 5.00 -ATOM 592 CB GLU C 77 19.109 -0.268 34.543 1.00 5.00 -ATOM 593 CA ASN C 78 21.878 -3.805 36.381 1.00 5.00 -ATOM 594 CB ASN C 78 20.831 -3.835 38.067 1.00 5.00 -ATOM 595 CA LYS C 79 21.809 -6.570 33.553 1.00 5.00 -ATOM 596 CB LYS C 79 24.025 -5.607 31.505 1.00 5.00 -ATOM 597 CA ILE C 80 21.781 -10.226 35.381 1.00 5.00 -ATOM 598 CB ILE C 80 20.567 -10.745 36.626 1.00 5.00 -ATOM 599 CA LYS C 81 22.757 -13.531 33.893 1.00 5.00 -ATOM 600 CB LYS C 81 24.175 -13.495 31.717 1.00 5.00 -ATOM 601 CA MET C 82 21.719 -16.447 36.070 1.00 5.00 -ATOM 602 CB MET C 82 20.300 -15.692 37.787 1.00 5.00 -ATOM 603 CA LEU C 83 24.414 -19.082 35.407 1.00 5.00 -ATOM 604 CB LEU C 83 26.280 -18.480 35.048 1.00 5.00 +ATOM 442 CA THR C 1 36.406 13.704 17.584 1.00 5.00 +ATOM 443 CB THR C 1 36.385 14.923 16.756 1.00 5.00 +ATOM 444 CA ASN C 2 39.900 11.944 17.054 1.00 5.00 +ATOM 445 CB ASN C 2 40.365 10.082 16.994 1.00 5.00 +ATOM 446 CA LEU C 3 40.296 11.606 13.320 1.00 5.00 +ATOM 447 CB LEU C 3 38.888 9.992 13.128 1.00 5.00 +ATOM 448 CA SER C 4 40.557 15.413 12.744 1.00 5.00 +ATOM 449 CB SER C 4 39.370 15.849 13.206 1.00 5.00 +ATOM 450 CA ASP C 5 42.454 15.884 15.919 1.00 5.00 +ATOM 451 CB ASP C 5 41.459 16.325 17.644 1.00 5.00 +ATOM 452 CA ILE C 6 44.874 13.201 14.610 1.00 5.00 +ATOM 453 CB ILE C 6 44.396 11.749 13.366 1.00 5.00 +ATOM 454 CA ILE C 7 46.089 15.810 12.202 1.00 5.00 +ATOM 455 CB ILE C 7 44.764 15.970 10.783 1.00 5.00 +ATOM 456 CA GLU C 8 46.925 17.851 15.425 1.00 5.00 +ATOM 457 CB GLU C 8 46.579 19.943 16.441 1.00 5.00 +ATOM 458 CA LYS C 9 48.470 14.652 16.909 1.00 5.00 +ATOM 459 CB LYS C 9 48.268 12.062 16.970 1.00 5.00 +ATOM 460 CA GLU C 10 50.424 13.411 13.656 1.00 5.00 +ATOM 461 CB GLU C 10 49.359 11.287 13.318 1.00 5.00 +ATOM 462 CA THR C 11 51.743 16.685 11.987 1.00 5.00 +ATOM 463 CB THR C 11 50.804 16.623 10.923 1.00 5.00 +ATOM 464 CA GLY C 12 50.775 19.803 14.328 1.00 5.00 +ATOM 465 CA LYS C 13 49.089 21.956 11.849 1.00 5.00 +ATOM 466 CB LYS C 13 50.143 23.012 9.146 1.00 5.00 +ATOM 467 CA GLN C 14 45.148 22.397 11.962 1.00 5.00 +ATOM 468 CB GLN C 14 44.808 24.321 13.364 1.00 5.00 +ATOM 469 CA LEU C 15 43.375 21.468 8.784 1.00 5.00 +ATOM 470 CB LEU C 15 44.995 20.143 8.725 1.00 5.00 +ATOM 471 CA VAL C 16 39.779 20.404 7.538 1.00 5.00 +ATOM 472 CB VAL C 16 39.493 21.010 6.240 1.00 5.00 +ATOM 473 CA ILE C 17 38.662 16.719 6.849 1.00 5.00 +ATOM 474 CB ILE C 17 38.542 15.281 8.159 1.00 5.00 +ATOM 475 CA GLN C 18 37.419 17.403 3.275 1.00 5.00 +ATOM 476 CB GLN C 18 39.238 18.134 1.993 1.00 5.00 +ATOM 477 CA GLU C 19 36.409 14.186 1.489 1.00 5.00 +ATOM 478 CB GLU C 19 36.731 16.095 -0.169 1.00 5.00 +ATOM 479 CA SER C 20 36.304 10.567 2.604 1.00 5.00 +ATOM 480 CB SER C 20 35.059 10.704 2.933 1.00 5.00 +ATOM 481 CA ILE C 21 37.226 8.038 -0.003 1.00 5.00 +ATOM 482 CB ILE C 21 37.454 8.458 -1.842 1.00 5.00 +ATOM 483 CA LEU C 22 36.496 4.112 0.444 1.00 5.00 +ATOM 484 CB LEU C 22 35.252 3.245 1.874 1.00 5.00 +ATOM 485 CA MET C 23 39.220 1.745 -0.877 1.00 5.00 +ATOM 486 CB MET C 23 41.127 3.575 -0.715 1.00 5.00 +ATOM 487 CA LEU C 24 40.325 -2.004 -1.122 1.00 5.00 +ATOM 488 CB LEU C 24 38.723 -2.689 -2.367 1.00 5.00 +ATOM 489 CA PRO C 25 43.808 -3.481 -0.554 1.00 5.00 +ATOM 490 CB PRO C 25 43.143 -4.312 0.372 1.00 5.00 +ATOM 491 CA GLU C 26 44.660 -3.607 -4.157 1.00 5.00 +ATOM 492 CB GLU C 26 43.913 -5.779 -4.006 1.00 5.00 +ATOM 493 CA GLU C 27 43.745 0.079 -4.328 1.00 5.00 +ATOM 494 CB GLU C 27 41.776 0.962 -5.254 1.00 5.00 +ATOM 495 CA VAL C 28 45.722 0.847 -1.009 1.00 5.00 +ATOM 496 CB VAL C 28 45.496 1.826 0.123 1.00 5.00 +ATOM 497 CA GLU C 29 48.394 -1.595 -1.392 1.00 5.00 +ATOM 498 CB GLU C 29 47.678 -3.705 -0.233 1.00 5.00 +ATOM 499 CA GLU C 30 49.441 -0.322 -4.740 1.00 5.00 +ATOM 500 CB GLU C 30 49.916 -1.215 -6.911 1.00 5.00 +ATOM 501 CA VAL C 31 49.626 3.332 -3.252 1.00 5.00 +ATOM 502 CB VAL C 31 48.463 4.124 -2.751 1.00 5.00 +ATOM 503 CA ILE C 32 51.526 1.885 0.074 1.00 5.00 +ATOM 504 CB ILE C 32 50.227 2.601 1.315 1.00 5.00 +ATOM 505 CA GLY C 33 53.700 -0.716 1.442 1.00 5.00 +ATOM 506 CA ASN C 34 51.146 -2.527 3.435 1.00 5.00 +ATOM 507 CB ASN C 34 51.702 -2.354 5.385 1.00 5.00 +ATOM 508 CA LYS C 35 48.062 -5.002 3.088 1.00 5.00 +ATOM 509 CB LYS C 35 47.938 -7.990 3.329 1.00 5.00 +ATOM 510 CA PRO C 36 45.434 -3.300 5.174 1.00 5.00 +ATOM 511 CB PRO C 36 45.776 -2.265 4.284 1.00 5.00 +ATOM 512 CA GLU C 37 43.212 -6.075 5.263 1.00 5.00 +ATOM 513 CB GLU C 37 44.036 -8.668 5.702 1.00 5.00 +ATOM 514 CA SER C 38 39.913 -4.013 5.170 1.00 5.00 +ATOM 515 CB SER C 38 39.143 -3.032 5.795 1.00 5.00 +ATOM 516 CA ASP C 39 37.942 -1.899 2.787 1.00 5.00 +ATOM 517 CB ASP C 39 36.257 -2.336 1.700 1.00 5.00 +ATOM 518 CA ILE C 40 39.884 1.222 3.775 1.00 5.00 +ATOM 519 CB ILE C 40 41.443 1.418 4.102 1.00 5.00 +ATOM 520 CA LEU C 41 38.892 4.845 4.301 1.00 5.00 +ATOM 521 CB LEU C 41 37.514 5.172 5.835 1.00 5.00 +ATOM 522 CA VAL C 42 40.787 7.897 2.923 1.00 5.00 +ATOM 523 CB VAL C 42 41.729 8.306 1.793 1.00 5.00 +ATOM 524 CA HIS C 43 39.912 11.029 4.642 1.00 5.00 +ATOM 525 CB HIS C 43 38.539 10.249 6.791 1.00 5.00 +ATOM 526 CA THR C 44 41.448 13.587 2.336 1.00 5.00 +ATOM 527 CB THR C 44 40.429 13.373 1.250 1.00 5.00 +ATOM 528 CA ALA C 45 42.494 16.980 3.843 1.00 5.00 +ATOM 529 CB ALA C 45 42.484 17.206 4.567 1.00 5.00 +ATOM 530 CA TYR C 46 43.874 19.780 1.681 1.00 5.00 +ATOM 531 CB TYR C 46 44.374 21.503 -1.222 1.00 5.00 +ATOM 532 CA ASP C 47 46.361 22.148 3.280 1.00 5.00 +ATOM 533 CB ASP C 47 47.382 23.197 4.747 1.00 5.00 +ATOM 534 CA GLU C 48 46.880 25.132 1.188 1.00 5.00 +ATOM 535 CB GLU C 48 45.775 25.672 -1.259 1.00 5.00 +ATOM 536 CA SER C 49 49.701 26.745 3.034 1.00 5.00 +ATOM 537 CB SER C 49 49.081 27.294 4.014 1.00 5.00 +ATOM 538 CA THR C 50 52.367 24.188 2.215 1.00 5.00 +ATOM 539 CB THR C 50 51.696 23.265 3.220 1.00 5.00 +ATOM 540 CA ASP C 51 50.690 22.759 -0.880 1.00 5.00 +ATOM 541 CB ASP C 51 50.896 23.444 -2.799 1.00 5.00 +ATOM 542 CA GLU C 52 49.710 19.525 1.132 1.00 5.00 +ATOM 543 CB GLU C 52 50.128 19.041 3.072 1.00 5.00 +ATOM 544 CA ASN C 53 47.030 16.501 0.494 1.00 5.00 +ATOM 545 CB ASN C 53 46.107 15.639 -1.007 1.00 5.00 +ATOM 546 CA VAL C 54 46.493 15.029 3.947 1.00 5.00 +ATOM 547 CB VAL C 54 46.725 15.027 5.474 1.00 5.00 +ATOM 548 CA MET C 55 45.455 11.438 3.248 1.00 5.00 +ATOM 549 CB MET C 55 46.071 11.459 0.846 1.00 5.00 +ATOM 550 CA LEU C 56 44.268 10.288 6.735 1.00 5.00 +ATOM 551 CB LEU C 56 42.819 11.249 7.976 1.00 5.00 +ATOM 552 CA LEU C 57 43.907 6.548 5.775 1.00 5.00 +ATOM 553 CB LEU C 57 45.027 6.510 4.172 1.00 5.00 +ATOM 554 CA THR C 58 41.312 4.737 7.928 1.00 5.00 +ATOM 555 CB THR C 58 41.217 5.979 8.599 1.00 5.00 +ATOM 556 CA SER C 59 39.608 1.554 8.791 1.00 5.00 +ATOM 557 CB SER C 59 38.902 2.072 9.743 1.00 5.00 +ATOM 558 CA ASP C 60 36.128 1.694 7.568 1.00 5.00 +ATOM 559 CB ASP C 60 35.600 0.363 6.165 1.00 5.00 +ATOM 560 CA ALA C 61 32.592 3.277 7.393 1.00 5.00 +ATOM 561 CB ALA C 61 32.456 3.285 6.632 1.00 5.00 +ATOM 562 CA PRO C 62 31.159 2.249 10.674 1.00 5.00 +ATOM 563 CB PRO C 62 30.332 1.312 9.926 1.00 5.00 +ATOM 564 CA GLU C 63 34.714 1.899 12.662 1.00 5.00 +ATOM 565 CB GLU C 63 36.183 0.195 11.721 1.00 5.00 +ATOM 566 CA TYR C 64 36.755 4.972 11.776 1.00 5.00 +ATOM 567 CB TYR C 64 33.875 6.340 10.790 1.00 5.00 +ATOM 568 CA LYS C 65 40.175 3.578 12.986 1.00 5.00 +ATOM 569 CB LYS C 65 41.006 2.933 15.784 1.00 5.00 +ATOM 570 CA PRO C 66 43.390 5.761 11.849 1.00 5.00 +ATOM 571 CB PRO C 66 43.116 6.500 12.972 1.00 5.00 +ATOM 572 CA TRP C 67 45.726 3.051 10.300 1.00 5.00 +ATOM 573 CB TRP C 67 47.106 1.202 8.057 1.00 5.00 +ATOM 574 CA ALA C 68 47.925 5.259 8.102 1.00 5.00 +ATOM 575 CB ALA C 68 48.181 4.777 7.522 1.00 5.00 +ATOM 576 CA LEU C 69 48.771 8.858 7.545 1.00 5.00 +ATOM 577 CB LEU C 69 47.877 9.726 9.085 1.00 5.00 +ATOM 578 CA VAL C 70 49.592 10.106 4.011 1.00 5.00 +ATOM 579 CB VAL C 70 49.437 9.582 2.565 1.00 5.00 +ATOM 580 CA ILE C 71 51.185 13.415 3.606 1.00 5.00 +ATOM 581 CB ILE C 71 52.611 13.668 4.793 1.00 5.00 +ATOM 582 CA GLN C 72 51.481 14.719 0.030 1.00 5.00 +ATOM 583 CB GLN C 72 50.226 13.702 -1.758 1.00 5.00 +ATOM 584 CA ASP C 73 53.557 17.464 -1.138 1.00 5.00 +ATOM 585 CB ASP C 73 55.207 18.603 -0.720 1.00 5.00 +ATOM 586 CA SER C 74 53.815 19.805 -4.120 1.00 5.00 +ATOM 587 CB SER C 74 54.249 20.792 -3.465 1.00 5.00 +ATOM 588 CA ASN C 75 55.763 17.330 -6.528 1.00 5.00 +ATOM 589 CB ASN C 75 57.325 18.483 -6.300 1.00 5.00 +ATOM 590 CA GLY C 76 53.299 14.638 -5.397 1.00 5.00 +ATOM 591 CA GLU C 77 56.286 13.233 -3.471 1.00 5.00 +ATOM 592 CB GLU C 77 58.266 13.559 -5.411 1.00 5.00 +ATOM 593 CA ASN C 78 53.990 11.069 -1.028 1.00 5.00 +ATOM 594 CB ASN C 78 52.210 10.226 -1.528 1.00 5.00 +ATOM 595 CA LYS C 79 55.488 10.714 2.711 1.00 5.00 +ATOM 596 CB LYS C 79 57.032 11.597 5.212 1.00 5.00 +ATOM 597 CA ILE C 80 53.559 7.800 4.174 1.00 5.00 +ATOM 598 CB ILE C 80 53.532 6.165 3.722 1.00 5.00 +ATOM 599 CA LYS C 81 53.208 7.901 8.190 1.00 5.00 +ATOM 600 CB LYS C 81 54.561 8.988 10.730 1.00 5.00 +ATOM 601 CA MET C 82 51.768 4.508 9.945 1.00 5.00 +ATOM 602 CB MET C 82 51.629 2.832 7.901 1.00 5.00 +ATOM 603 CA LEU C 83 49.759 5.140 13.278 1.00 5.00 +ATOM 604 CB LEU C 83 48.133 6.422 13.448 1.00 5.00 TER CONECT 1 3 2 CONECT 3 5 4