X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Fwham_T300K_0001.pdb;h=32d402452f61e10f84407d1a1dd65fa98561fd47;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=1c339ea119074cf95c65699630c9d064209aa8bc;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/output/wham_T300K_0001.pdb b/examples/UNRES-Dock/output/wham_T300K_0001.pdb index 1c339ea..32d4024 100644 --- a/examples/UNRES-Dock/output/wham_T300K_0001.pdb +++ b/examples/UNRES-Dock/output/wham_T300K_0001.pdb @@ -1,611 +1,611 @@ -REMARK CLUSTER 1 FREE ENERGY -1.31923E+01 AVE RMSD 0.00 -REMARK clustering ENERGY -1.20850E+01 RMS 0.00 -ATOM 1 CA ASP A 1 -6.356 5.157 12.218 1.00 5.00 -ATOM 2 CB ASP A 1 -6.382 4.086 10.434 1.00 5.00 -ATOM 3 CA TRP A 2 -3.708 3.474 14.370 1.00 5.00 -ATOM 4 CB TRP A 2 -0.478 4.353 12.981 1.00 5.00 -ATOM 5 CA THR A 3 -5.637 0.633 15.602 1.00 5.00 -ATOM 6 CB THR A 3 -6.247 0.039 16.692 1.00 5.00 -ATOM 7 CA THR A 4 -5.435 -1.139 11.984 1.00 5.00 -ATOM 8 CB THR A 4 -6.008 -0.709 10.730 1.00 5.00 -ATOM 9 CA PHE A 5 -1.723 -0.192 11.592 1.00 5.00 -ATOM 10 CB PHE A 5 0.632 0.954 10.037 1.00 5.00 -ATOM 11 CA ARG A 6 -0.966 -1.496 15.133 1.00 5.00 -ATOM 12 CB ARG A 6 -1.361 -3.987 17.206 1.00 5.00 -ATOM 13 CA ARG A 7 -2.864 -4.742 14.118 1.00 5.00 -ATOM 14 CB ARG A 7 -6.229 -4.769 15.076 1.00 5.00 -ATOM 15 CA VAL A 8 -1.536 -4.812 10.519 1.00 5.00 -ATOM 16 CB VAL A 8 -2.158 -3.680 9.681 1.00 5.00 -ATOM 17 CA PHE A 9 1.951 -4.506 11.558 1.00 5.00 -ATOM 18 CB PHE A 9 2.466 -2.916 9.114 1.00 5.00 -ATOM 19 CA LEU A 10 2.073 -6.194 15.054 1.00 5.00 -ATOM 20 CB LEU A 10 1.232 -7.870 16.039 1.00 5.00 -ATOM 21 CA ILE A 11 3.605 -2.920 16.258 1.00 5.00 -ATOM 22 CB ILE A 11 2.878 -1.229 15.627 1.00 5.00 -ATOM 23 CA ASP A 12 4.552 -2.290 19.907 1.00 5.00 -ATOM 24 CB ASP A 12 5.921 -1.378 21.061 1.00 5.00 -ATOM 25 CA ASP A 13 2.162 -0.004 21.736 1.00 5.00 -ATOM 26 CB ASP A 13 0.390 -0.521 20.740 1.00 5.00 -ATOM 27 CA ALA A 14 3.959 2.719 23.711 1.00 5.00 -ATOM 28 CB ALA A 14 4.628 2.845 24.036 1.00 5.00 -ATOM 29 CA TRP A 15 5.458 3.693 20.347 1.00 5.00 -ATOM 30 CB TRP A 15 8.444 3.777 18.873 1.00 5.00 -ATOM 31 CA ARG A 16 2.082 4.835 19.117 1.00 5.00 -ATOM 32 CB ARG A 16 0.070 3.424 21.311 1.00 5.00 -ATOM 33 CA PRO A 17 2.989 8.170 20.573 1.00 5.00 -ATOM 34 CB PRO A 17 3.394 7.282 21.640 1.00 5.00 -ATOM 35 CA LEU A 18 5.582 8.170 17.710 1.00 5.00 -ATOM 36 CB LEU A 18 7.381 9.170 18.031 1.00 5.00 -ATOM 37 CA MET A 19 3.871 6.041 14.983 1.00 5.00 -ATOM 38 CB MET A 19 3.781 4.069 16.497 1.00 5.00 -ATOM 39 CA GLU A 20 0.372 7.805 14.633 1.00 5.00 -ATOM 40 CB GLU A 20 0.323 7.161 17.027 1.00 5.00 -ATOM 41 CA PRO A 21 1.461 11.504 13.741 1.00 5.00 -ATOM 42 CB PRO A 21 2.400 11.138 14.775 1.00 5.00 -ATOM 43 CA GLU A 22 2.598 10.589 10.411 1.00 5.00 -ATOM 44 CB GLU A 22 5.084 10.375 11.151 1.00 5.00 -ATOM 45 CA LEU A 23 -0.301 8.322 9.535 1.00 5.00 -ATOM 46 CB LEU A 23 -1.586 6.814 9.440 1.00 5.00 -ATOM 47 CA ALA A 24 -2.266 11.564 9.479 1.00 5.00 -ATOM 48 CB ALA A 24 -2.090 11.721 10.211 1.00 5.00 -ATOM 49 CA ASN A 25 0.060 13.025 6.657 1.00 5.00 -ATOM 50 CB ASN A 25 1.291 11.552 7.110 1.00 5.00 -ATOM 51 CA PRO A 26 -0.727 11.798 3.148 1.00 5.00 -ATOM 52 CB PRO A 26 -1.081 13.129 2.659 1.00 5.00 -ATOM 53 CA LEU A 27 2.990 10.711 2.763 1.00 5.00 -ATOM 54 CB LEU A 27 4.166 12.397 2.917 1.00 5.00 -ATOM 55 CA THR A 28 2.452 7.484 4.648 1.00 5.00 -ATOM 56 CB THR A 28 2.221 6.896 5.972 1.00 5.00 -ATOM 57 CA ALA A 29 -0.576 6.561 2.890 1.00 5.00 -ATOM 58 CB ALA A 29 -1.208 6.740 2.535 1.00 5.00 -ATOM 59 CA HIS A 30 1.402 6.502 -0.448 1.00 5.00 -ATOM 60 CB HIS A 30 0.992 9.103 -0.832 1.00 5.00 -ATOM 61 CA LEU A 31 4.416 4.904 0.942 1.00 5.00 -ATOM 62 CB LEU A 31 5.564 4.831 2.713 1.00 5.00 -ATOM 63 CA LEU A 32 1.877 2.345 2.497 1.00 5.00 -ATOM 64 CB LEU A 32 0.764 2.325 4.226 1.00 5.00 -ATOM 65 CA ALA A 33 -0.106 1.934 -0.732 1.00 5.00 -ATOM 66 CB ALA A 33 -0.326 2.682 -0.970 1.00 5.00 -ATOM 67 CA GLU A 34 3.250 1.465 -2.623 1.00 5.00 -ATOM 68 CB GLU A 34 2.514 3.550 -3.592 1.00 5.00 -ATOM 69 CA TYR A 35 4.136 -1.496 -0.383 1.00 5.00 -ATOM 70 CB TYR A 35 4.095 -2.825 2.568 1.00 5.00 -ATOM 71 CA ASN A 36 0.928 -3.188 -0.144 1.00 5.00 -ATOM 72 CB ASN A 36 -0.847 -4.059 -0.196 1.00 5.00 -ATOM 73 CA ARG A 37 0.632 -2.889 -3.713 1.00 5.00 -ATOM 74 CB ARG A 37 -0.205 0.507 -4.577 1.00 5.00 -ATOM 75 CA ARG A 38 4.113 -4.268 -4.120 1.00 5.00 -ATOM 76 CB ARG A 38 5.418 -1.141 -3.914 1.00 5.00 -ATOM 77 CA CYS A 39 3.692 -7.029 -1.648 1.00 5.00 -ATOM 78 CB CYS A 39 3.825 -7.352 -0.325 1.00 5.00 -ATOM 79 CA GLN A 40 1.283 -8.419 -4.485 1.00 5.00 -ATOM 80 CB GLN A 40 -0.292 -10.535 -3.581 1.00 5.00 -ATOM 81 CA THR A 41 3.711 -8.165 -7.300 1.00 5.00 -ATOM 82 CB THR A 41 3.837 -7.095 -8.312 1.00 5.00 -ATOM 83 CA GLU A 42 6.672 -9.557 -5.198 1.00 5.00 -ATOM 84 CB GLU A 42 7.043 -7.206 -3.890 1.00 5.00 -ATOM 85 CA GLU A 43 8.586 -11.390 -2.436 1.00 5.00 -ATOM 86 CB GLU A 43 10.613 -12.195 -2.558 1.00 5.00 -ATOM 87 CA VAL A 44 9.287 -8.537 0.185 1.00 5.00 -ATOM 88 CB VAL A 44 8.456 -7.886 1.260 1.00 5.00 -ATOM 89 CA LEU A 45 12.349 -9.029 2.575 1.00 5.00 -ATOM 90 CB LEU A 45 14.173 -10.012 2.197 1.00 5.00 -ATOM 91 CA PRO A 46 11.812 -9.134 6.470 1.00 5.00 -ATOM 92 CB PRO A 46 11.978 -7.741 6.259 1.00 5.00 -ATOM 93 CA PRO A 47 8.525 -11.086 6.990 1.00 5.00 -ATOM 94 CB PRO A 47 9.232 -11.971 7.809 1.00 5.00 -ATOM 95 CA ARG A 48 5.905 -8.292 7.563 1.00 5.00 -ATOM 96 CB ARG A 48 2.582 -6.885 7.301 1.00 5.00 -ATOM 97 CA GLU A 49 5.500 -9.034 11.159 1.00 5.00 -ATOM 98 CB GLU A 49 5.281 -11.804 11.522 1.00 5.00 -ATOM 99 CA ASP A 50 9.266 -8.722 11.570 1.00 5.00 -ATOM 100 CB ASP A 50 11.100 -9.015 12.122 1.00 5.00 -ATOM 101 CA VAL A 51 9.665 -5.200 10.132 1.00 5.00 -ATOM 102 CB VAL A 51 9.208 -4.775 8.720 1.00 5.00 -ATOM 103 CA PHE A 52 8.572 -3.537 13.239 1.00 5.00 -ATOM 104 CB PHE A 52 6.591 -1.508 12.569 1.00 5.00 -ATOM 105 CA SER A 53 10.417 -5.685 15.437 1.00 5.00 -ATOM 106 CB SER A 53 11.294 -6.205 14.572 1.00 5.00 -ATOM 107 CA TRP A 54 12.174 -2.700 16.852 1.00 5.00 -ATOM 108 CB TRP A 54 12.002 0.665 15.431 1.00 5.00 -ATOM 109 CA THR A 55 8.857 -1.141 17.664 1.00 5.00 -ATOM 110 CB THR A 55 8.325 0.027 16.899 1.00 5.00 -ATOM 111 CA ARG A 56 8.516 -4.378 19.991 1.00 5.00 -ATOM 112 CB ARG A 56 7.173 -5.382 16.933 1.00 5.00 -ATOM 113 CA TYR A 57 11.733 -4.505 21.855 1.00 5.00 -ATOM 114 CB TYR A 57 13.615 -5.649 19.455 1.00 5.00 -ATOM 115 CA CYS A 58 11.887 -1.664 24.317 1.00 5.00 -ATOM 116 CB CYS A 58 13.107 -1.126 23.737 1.00 5.00 -ATOM 117 CA THR A 59 9.902 1.512 24.513 1.00 5.00 -ATOM 118 CB THR A 59 9.055 1.412 25.818 1.00 5.00 -ATOM 119 CA PRO A 60 10.704 5.197 23.721 1.00 5.00 -ATOM 120 CB PRO A 60 9.392 4.943 23.303 1.00 5.00 -ATOM 121 CA ASP A 61 12.219 6.017 26.990 1.00 5.00 -ATOM 122 CB ASP A 61 10.640 6.420 28.026 1.00 5.00 -ATOM 123 CA GLU A 62 14.312 2.982 27.334 1.00 5.00 -ATOM 124 CB GLU A 62 13.011 2.229 29.149 1.00 5.00 -ATOM 125 CA VAL A 63 16.254 4.311 24.326 1.00 5.00 -ATOM 126 CB VAL A 63 15.577 5.308 23.678 1.00 5.00 -ATOM 127 CA ARG A 64 20.080 4.816 24.534 1.00 5.00 -ATOM 128 CB ARG A 64 21.752 3.560 27.181 1.00 5.00 -ATOM 129 CA VAL A 65 22.222 4.520 21.099 1.00 5.00 -ATOM 130 CB VAL A 65 22.955 3.262 21.434 1.00 5.00 -ATOM 131 CA VAL A 66 20.585 4.790 17.607 1.00 5.00 -ATOM 132 CB VAL A 66 19.365 5.592 17.206 1.00 5.00 -ATOM 133 CA ILE A 67 22.848 2.777 15.040 1.00 5.00 -ATOM 134 CB ILE A 67 23.220 0.991 15.344 1.00 5.00 -ATOM 135 CA ILE A 68 20.976 3.797 11.788 1.00 5.00 -ATOM 136 CB ILE A 68 20.950 5.536 11.033 1.00 5.00 -ATOM 137 CA GLY A 69 21.488 1.966 8.484 1.00 5.00 -ATOM 138 CA GLN A 70 20.574 1.362 4.863 1.00 5.00 -ATOM 139 CB GLN A 70 21.611 2.485 2.594 1.00 5.00 -ATOM 140 CA ASP A 71 18.076 -1.477 3.878 1.00 5.00 -ATOM 141 CB ASP A 71 19.141 -1.887 2.253 1.00 5.00 -ATOM 142 CA PRO A 72 17.479 -4.811 5.607 1.00 5.00 -ATOM 143 CB PRO A 72 16.077 -4.463 5.664 1.00 5.00 -ATOM 144 CA TYR A 73 19.563 -7.589 3.816 1.00 5.00 -ATOM 145 CB TYR A 73 21.109 -7.717 6.727 1.00 5.00 -ATOM 146 CA HIS A 74 18.321 -9.321 0.478 1.00 5.00 -ATOM 147 CB HIS A 74 17.089 -7.694 -1.271 1.00 5.00 -ATOM 148 CA HIS A 75 18.727 -12.847 1.380 1.00 5.00 -ATOM 149 CB HIS A 75 20.788 -13.155 3.145 1.00 5.00 -ATOM 150 CA PRO A 76 16.228 -15.555 2.712 1.00 5.00 -ATOM 151 CB PRO A 76 16.851 -16.246 1.598 1.00 5.00 -ATOM 152 CA GLY A 77 16.447 -15.336 6.590 1.00 5.00 -ATOM 153 CA GLN A 78 19.248 -13.008 7.031 1.00 5.00 -ATOM 154 CB GLN A 78 18.468 -11.282 5.021 1.00 5.00 -ATOM 155 CA ALA A 79 16.685 -10.550 8.580 1.00 5.00 -ATOM 156 CB ALA A 79 15.931 -10.425 8.340 1.00 5.00 -ATOM 157 CA HIS A 80 14.770 -10.315 11.784 1.00 5.00 -ATOM 158 CB HIS A 80 16.833 -10.215 13.673 1.00 5.00 -ATOM 159 CA GLY A 81 14.064 -6.406 11.472 1.00 5.00 -ATOM 160 CA LEU A 82 16.552 -4.169 13.126 1.00 5.00 -ATOM 161 CB LEU A 82 15.904 -3.620 14.668 1.00 5.00 -ATOM 162 CA ALA A 83 19.730 -3.222 11.385 1.00 5.00 -ATOM 163 CB ALA A 83 20.171 -2.875 11.961 1.00 5.00 -ATOM 164 CA PHE A 84 23.083 -5.050 10.936 1.00 5.00 -ATOM 165 CB PHE A 84 24.720 -2.642 11.466 1.00 5.00 -ATOM 166 CA SER A 85 21.245 -8.062 12.549 1.00 5.00 -ATOM 167 CB SER A 85 20.042 -7.932 11.905 1.00 5.00 -ATOM 168 CA VAL A 86 21.403 -11.693 11.167 1.00 5.00 -ATOM 169 CB VAL A 86 22.419 -12.194 10.284 1.00 5.00 -ATOM 170 CA ARG A 87 18.991 -14.267 12.851 1.00 5.00 -ATOM 171 CB ARG A 87 16.703 -14.912 11.820 1.00 5.00 -ATOM 172 CA ALA A 88 21.630 -16.479 14.385 1.00 5.00 -ATOM 173 CB ALA A 88 21.018 -16.689 14.809 1.00 5.00 -ATOM 174 CA ASN A 89 20.993 -19.121 11.438 1.00 5.00 -ATOM 175 CB ASN A 89 19.755 -20.616 10.750 1.00 5.00 -ATOM 176 CA VAL A 90 23.149 -17.032 8.922 1.00 5.00 -ATOM 177 CB VAL A 90 21.926 -16.313 8.445 1.00 5.00 -ATOM 178 CA PRO A 91 26.890 -16.122 8.601 1.00 5.00 -ATOM 179 CB PRO A 91 26.575 -15.566 7.324 1.00 5.00 -ATOM 180 CA PRO A 92 27.708 -12.607 9.959 1.00 5.00 -ATOM 181 CB PRO A 92 28.403 -13.482 10.820 1.00 5.00 -ATOM 182 CA PRO A 93 27.883 -10.447 6.731 1.00 5.00 -ATOM 183 CB PRO A 93 26.518 -10.220 7.089 1.00 5.00 -ATOM 184 CA PRO A 94 31.239 -8.470 6.585 1.00 5.00 -ATOM 185 CB PRO A 94 31.328 -9.389 5.509 1.00 5.00 -ATOM 186 CA SER A 95 29.552 -5.420 8.066 1.00 5.00 -ATOM 187 CB SER A 95 29.520 -4.205 7.599 1.00 5.00 -ATOM 188 CA LEU A 96 28.441 -7.511 10.857 1.00 5.00 -ATOM 189 CB LEU A 96 26.785 -8.266 11.805 1.00 5.00 -ATOM 190 CA ARG A 97 31.810 -8.529 11.698 1.00 5.00 -ATOM 191 CB ARG A 97 34.185 -9.038 11.051 1.00 5.00 -ATOM 192 CA ASN A 98 32.741 -4.659 11.648 1.00 5.00 -ATOM 193 CB ASN A 98 33.368 -3.961 9.982 1.00 5.00 -ATOM 194 CA VAL A 99 30.666 -3.900 14.830 1.00 5.00 -ATOM 195 CB VAL A 99 29.165 -4.082 14.586 1.00 5.00 -ATOM 196 CA LEU A 100 31.736 -7.199 16.310 1.00 5.00 -ATOM 197 CB LEU A 100 30.399 -8.789 15.982 1.00 5.00 -ATOM 198 CA ALA A 101 35.568 -6.321 15.729 1.00 5.00 -ATOM 199 CB ALA A 101 35.299 -5.908 15.076 1.00 5.00 -ATOM 200 CA ALA A 102 34.660 -2.817 16.976 1.00 5.00 -ATOM 201 CB ALA A 102 34.644 -2.191 16.468 1.00 5.00 -ATOM 202 CA VAL A 103 33.214 -3.773 20.252 1.00 5.00 -ATOM 203 CB VAL A 103 31.705 -3.974 20.284 1.00 5.00 -ATOM 204 CA LYS A 104 35.854 -6.504 20.729 1.00 5.00 -ATOM 205 CB LYS A 104 35.912 -8.887 22.518 1.00 5.00 -ATOM 206 CA ASN A 105 38.656 -4.031 20.386 1.00 5.00 -ATOM 207 CB ASN A 105 38.936 -3.261 18.474 1.00 5.00 -ATOM 208 CA CYS A 106 36.909 -1.118 22.399 1.00 5.00 -ATOM 209 CB CYS A 106 36.149 -0.394 21.631 1.00 5.00 -ATOM 210 CA TYR A 107 36.045 -3.151 25.390 1.00 5.00 -ATOM 211 CB TYR A 107 33.105 -2.279 24.206 1.00 5.00 -ATOM 212 CA PRO A 108 38.216 -6.347 25.666 1.00 5.00 -ATOM 213 CB PRO A 108 39.203 -5.293 25.372 1.00 5.00 -ATOM 214 CA GLU A 109 36.752 -8.483 28.327 1.00 5.00 -ATOM 215 CB GLU A 109 37.219 -7.710 30.550 1.00 5.00 -ATOM 216 CA ALA A 110 33.282 -8.774 26.403 1.00 5.00 -ATOM 217 CB ALA A 110 33.188 -8.462 25.712 1.00 5.00 -ATOM 218 CA ARG A 111 32.816 -12.526 25.647 1.00 5.00 -ATOM 219 CB ARG A 111 31.244 -11.277 28.188 1.00 5.00 -ATOM 220 CA MET A 112 31.996 -12.623 21.741 1.00 5.00 -ATOM 221 CB MET A 112 32.810 -10.801 20.320 1.00 5.00 -ATOM 222 CA SER A 113 29.917 -15.748 21.006 1.00 5.00 -ATOM 223 CB SER A 113 28.797 -15.264 21.522 1.00 5.00 -ATOM 224 CA GLY A 114 30.512 -15.236 17.202 1.00 5.00 -ATOM 225 CA HIS A 115 26.777 -15.004 16.850 1.00 5.00 -ATOM 226 CB HIS A 115 24.507 -16.629 17.082 1.00 5.00 -ATOM 227 CA GLY A 116 25.443 -11.913 14.825 1.00 5.00 -ATOM 228 CA CYS A 117 21.852 -11.535 16.231 1.00 5.00 -ATOM 229 CB CYS A 117 21.613 -12.128 17.473 1.00 5.00 -ATOM 230 CA LEU A 118 21.710 -8.280 18.026 1.00 5.00 -ATOM 231 CB LEU A 118 23.048 -6.915 17.076 1.00 5.00 -ATOM 232 CA GLU A 119 18.447 -8.932 19.816 1.00 5.00 -ATOM 233 CB GLU A 119 17.014 -10.774 20.785 1.00 5.00 -ATOM 234 CA LYS A 120 20.254 -8.915 23.090 1.00 5.00 -ATOM 235 CB LYS A 120 20.237 -10.561 25.683 1.00 5.00 -ATOM 236 CA TRP A 121 21.343 -5.087 22.264 1.00 5.00 -ATOM 237 CB TRP A 121 24.386 -6.551 21.583 1.00 5.00 -ATOM 238 CA ALA A 122 17.887 -4.186 21.113 1.00 5.00 -ATOM 239 CB ALA A 122 17.355 -4.277 20.558 1.00 5.00 -ATOM 240 CA ARG A 123 16.637 -5.202 24.813 1.00 5.00 -ATOM 241 CB ARG A 123 13.130 -5.709 25.207 1.00 5.00 -ATOM 242 CA ASP A 124 19.361 -3.034 26.373 1.00 5.00 -ATOM 243 CB ASP A 124 21.258 -3.132 25.661 1.00 5.00 -ATOM 244 CA GLY A 125 17.856 0.027 24.933 1.00 5.00 -ATOM 245 CA VAL A 126 19.718 0.103 21.509 1.00 5.00 -ATOM 246 CB VAL A 126 20.716 -0.921 21.116 1.00 5.00 -ATOM 247 CA LEU A 127 17.527 1.331 18.669 1.00 5.00 -ATOM 248 CB LEU A 127 15.655 1.660 18.559 1.00 5.00 -ATOM 249 CA LEU A 128 18.990 -0.550 15.756 1.00 5.00 -ATOM 250 CB LEU A 128 19.657 -2.099 16.685 1.00 5.00 -ATOM 251 CA LEU A 129 16.972 1.396 13.013 1.00 5.00 -ATOM 252 CB LEU A 129 15.907 2.961 13.978 1.00 5.00 -ATOM 253 CA ASN A 130 16.770 0.837 9.204 1.00 5.00 -ATOM 254 CB ASN A 130 17.434 -1.223 9.068 1.00 5.00 -ATOM 255 CA THR A 131 15.818 3.822 6.887 1.00 5.00 -ATOM 256 CB THR A 131 16.205 5.166 7.343 1.00 5.00 -ATOM 257 CA THR A 132 14.112 1.086 4.195 1.00 5.00 -ATOM 258 CB THR A 132 14.457 0.139 3.149 1.00 5.00 -ATOM 259 CA LEU A 133 11.931 -1.337 6.057 1.00 5.00 -ATOM 260 CB LEU A 133 11.895 -0.607 7.691 1.00 5.00 -ATOM 261 CA THR A 134 11.378 -3.329 3.052 1.00 5.00 -ATOM 262 CB THR A 134 10.011 -3.267 2.500 1.00 5.00 -ATOM 263 CA VAL A 135 13.431 -5.002 0.346 1.00 5.00 -ATOM 264 CB VAL A 135 14.558 -5.452 1.227 1.00 5.00 -ATOM 265 CA LYS A 136 13.145 -6.874 -3.000 1.00 5.00 -ATOM 266 CB LYS A 136 12.276 -5.953 -5.747 1.00 5.00 -ATOM 267 CA ARG A 137 14.170 -10.615 -2.700 1.00 5.00 -ATOM 268 CB ARG A 137 14.108 -12.450 -5.379 1.00 5.00 -ATOM 269 CA GLY A 138 17.229 -10.351 -4.868 1.00 5.00 -ATOM 270 CA ALA A 139 17.625 -6.622 -5.312 1.00 5.00 -ATOM 271 CB ALA A 139 17.347 -6.029 -5.830 1.00 5.00 -ATOM 272 CA ALA A 140 19.478 -4.689 -2.296 1.00 5.00 -ATOM 273 CB ALA A 140 20.160 -4.985 -2.117 1.00 5.00 -ATOM 274 CA ALA A 141 18.005 -1.041 -3.048 1.00 5.00 -ATOM 275 CB ALA A 141 17.812 -0.354 -3.178 1.00 5.00 -ATOM 276 CA SER A 142 14.342 -1.679 -4.533 1.00 5.00 -ATOM 277 CB SER A 142 14.341 -2.749 -3.749 1.00 5.00 -ATOM 278 CA HIS A 143 12.424 0.224 -1.973 1.00 5.00 -ATOM 279 CB HIS A 143 10.255 -1.418 -1.579 1.00 5.00 -ATOM 280 CA SER A 144 14.868 2.803 -1.137 1.00 5.00 -ATOM 281 CB SER A 144 16.239 3.047 -0.971 1.00 5.00 -ATOM 282 CA ARG A 145 12.711 5.122 -3.314 1.00 5.00 -ATOM 283 CB ARG A 145 15.269 5.023 -5.539 1.00 5.00 -ATOM 284 CA ILE A 146 9.296 4.055 -1.836 1.00 5.00 -ATOM 285 CB ILE A 146 8.334 2.583 -0.978 1.00 5.00 -ATOM 286 CA GLY A 147 9.551 6.623 0.815 1.00 5.00 -ATOM 287 CA TRP A 148 10.688 4.507 3.711 1.00 5.00 -ATOM 288 CB TRP A 148 9.193 1.656 4.590 1.00 5.00 -ATOM 289 CA ASP A 149 13.306 7.124 4.877 1.00 5.00 -ATOM 290 CB ASP A 149 14.702 7.933 3.525 1.00 5.00 -ATOM 291 CA ARG A 150 10.404 9.698 4.981 1.00 5.00 -ATOM 292 CB ARG A 150 7.755 9.033 3.497 1.00 5.00 -ATOM 293 CA PHE A 151 8.477 7.692 7.524 1.00 5.00 -ATOM 294 CB PHE A 151 6.783 5.566 8.943 1.00 5.00 -ATOM 295 CA VAL A 152 11.401 6.312 9.538 1.00 5.00 -ATOM 296 CB VAL A 152 12.007 5.161 10.257 1.00 5.00 -ATOM 297 CA GLY A 153 12.790 9.830 9.964 1.00 5.00 -ATOM 298 CA GLY A 154 9.377 11.199 10.736 1.00 5.00 -ATOM 299 CA VAL A 155 9.498 8.901 13.853 1.00 5.00 -ATOM 300 CB VAL A 155 9.600 7.491 14.249 1.00 5.00 -ATOM 301 CA ILE A 156 13.310 9.629 14.645 1.00 5.00 -ATOM 302 CB ILE A 156 14.566 8.718 13.870 1.00 5.00 -ATOM 303 CA ARG A 157 12.863 13.221 14.896 1.00 5.00 -ATOM 304 CB ARG A 157 12.455 17.246 14.582 1.00 5.00 -ATOM 305 CA ARG A 158 9.994 12.529 17.388 1.00 5.00 -ATOM 306 CB ARG A 158 9.028 13.245 14.326 1.00 5.00 -ATOM 307 CA LEU A 159 12.267 10.284 19.438 1.00 5.00 -ATOM 308 CB LEU A 159 13.633 8.807 19.120 1.00 5.00 -ATOM 309 CA ALA A 160 14.794 13.032 19.792 1.00 5.00 -ATOM 310 CB ALA A 160 15.256 13.069 19.044 1.00 5.00 -ATOM 311 CA ALA A 161 12.447 15.718 20.749 1.00 5.00 -ATOM 312 CB ALA A 161 11.813 15.646 20.299 1.00 5.00 -ATOM 313 CA ARG A 162 10.773 13.371 23.335 1.00 5.00 -ATOM 314 CB ARG A 162 8.684 10.465 22.340 1.00 5.00 -ATOM 315 CA ARG A 163 14.083 12.486 25.186 1.00 5.00 -ATOM 316 CB ARG A 163 11.248 10.350 26.049 1.00 5.00 -ATOM 317 CA PRO A 164 16.944 14.980 24.777 1.00 5.00 -ATOM 318 CB PRO A 164 16.075 15.904 25.333 1.00 5.00 -ATOM 319 CA GLY A 165 19.762 12.487 25.690 1.00 5.00 -ATOM 320 CA LEU A 166 20.425 9.909 23.078 1.00 5.00 -ATOM 321 CB LEU A 166 19.245 8.411 22.040 1.00 5.00 -ATOM 322 CA VAL A 167 23.738 9.188 21.355 1.00 5.00 -ATOM 323 CB VAL A 167 24.487 8.325 22.267 1.00 5.00 -ATOM 324 CA PHE A 168 23.611 8.811 17.559 1.00 5.00 -ATOM 325 CB PHE A 168 20.880 9.982 17.191 1.00 5.00 -ATOM 326 CA MET A 169 25.960 6.477 15.754 1.00 5.00 -ATOM 327 CB MET A 169 25.987 4.481 17.217 1.00 5.00 -ATOM 328 CA LEU A 170 25.927 7.694 12.202 1.00 5.00 -ATOM 329 CB LEU A 170 24.260 8.944 12.245 1.00 5.00 -ATOM 330 CA TRP A 171 28.101 5.454 9.960 1.00 5.00 -ATOM 331 CB TRP A 171 27.777 3.432 12.633 1.00 5.00 -ATOM 332 CA GLY A 172 28.421 6.565 6.374 1.00 5.00 -ATOM 333 CA THR A 173 27.823 9.869 4.570 1.00 5.00 -ATOM 334 CB THR A 173 28.923 9.837 3.589 1.00 5.00 -ATOM 335 CA HIS A 174 24.811 8.058 3.427 1.00 5.00 -ATOM 336 CB HIS A 174 22.543 6.865 2.590 1.00 5.00 -ATOM 337 CA ALA A 175 23.560 7.821 7.092 1.00 5.00 -ATOM 338 CB ALA A 175 23.937 7.247 7.546 1.00 5.00 -ATOM 339 CA GLN A 176 25.036 11.155 8.160 1.00 5.00 -ATOM 340 CB GLN A 176 26.899 9.729 8.917 1.00 5.00 -ATOM 341 CA ASN A 177 23.128 12.773 5.234 1.00 5.00 -ATOM 342 CB ASN A 177 23.002 11.630 3.671 1.00 5.00 -ATOM 343 CA ALA A 178 20.053 10.864 6.394 1.00 5.00 -ATOM 344 CB ALA A 178 19.704 10.155 6.208 1.00 5.00 -ATOM 345 CA ILE A 179 20.056 12.505 9.873 1.00 5.00 -ATOM 346 CB ILE A 179 19.181 11.945 11.390 1.00 5.00 -ATOM 347 CA ARG A 180 21.080 15.633 11.771 1.00 5.00 -ATOM 348 CB ARG A 180 19.989 17.572 9.813 1.00 5.00 -ATOM 349 CA PRO A 181 19.667 15.610 15.292 1.00 5.00 -ATOM 350 CB PRO A 181 20.474 14.506 15.152 1.00 5.00 -ATOM 351 CA ASP A 182 20.966 18.789 16.852 1.00 5.00 -ATOM 352 CB ASP A 182 19.079 19.082 17.427 1.00 5.00 -ATOM 353 CA PRO A 183 24.688 18.704 18.312 1.00 5.00 -ATOM 354 CB PRO A 183 24.922 19.059 16.998 1.00 5.00 -ATOM 355 CA ARG A 184 23.650 20.572 21.354 1.00 5.00 -ATOM 356 CB ARG A 184 20.248 21.508 20.108 1.00 5.00 -ATOM 357 CA VAL A 185 20.826 18.390 22.599 1.00 5.00 -ATOM 358 CB VAL A 185 19.342 18.677 22.442 1.00 5.00 -ATOM 359 CA HIS A 186 22.759 15.194 21.873 1.00 5.00 -ATOM 360 CB HIS A 186 20.297 13.953 21.508 1.00 5.00 -ATOM 361 CA CYS A 187 25.945 13.026 21.445 1.00 5.00 -ATOM 362 CB CYS A 187 26.931 12.208 21.962 1.00 5.00 -ATOM 363 CA VAL A 188 25.646 12.383 17.499 1.00 5.00 -ATOM 364 CB VAL A 188 25.415 13.257 16.266 1.00 5.00 -ATOM 365 CA LEU A 189 28.627 10.269 16.414 1.00 5.00 -ATOM 366 CB LEU A 189 28.731 8.857 17.905 1.00 5.00 -ATOM 367 CA LYS A 190 30.011 10.018 12.730 1.00 5.00 -ATOM 368 CB LYS A 190 29.471 12.769 11.634 1.00 5.00 -ATOM 369 CA PHE A 191 32.023 7.272 11.339 1.00 5.00 -ATOM 370 CB PHE A 191 34.101 5.222 12.232 1.00 5.00 -ATOM 371 CA SER A 192 32.964 6.012 7.663 1.00 5.00 -ATOM 372 CB SER A 192 33.960 5.339 7.262 1.00 5.00 -ATOM 373 CA HIS A 193 31.377 2.594 6.408 1.00 5.00 -ATOM 374 CB HIS A 193 31.183 1.561 3.900 1.00 5.00 -ATOM 375 CA PRO A 194 31.392 -0.722 8.066 1.00 5.00 -ATOM 376 CB PRO A 194 30.372 -0.445 8.966 1.00 5.00 -ATOM 377 CA SER A 195 31.918 -2.754 4.846 1.00 5.00 -ATOM 378 CB SER A 195 30.881 -3.031 4.016 1.00 5.00 -ATOM 379 CA PRO A 196 35.449 -4.135 4.310 1.00 5.00 -ATOM 380 CB PRO A 196 34.774 -5.362 4.427 1.00 5.00 -ATOM 381 CA LEU A 197 36.786 -1.580 2.040 1.00 5.00 -ATOM 382 CB LEU A 197 37.237 -2.104 0.333 1.00 5.00 -ATOM 383 CA SER A 198 36.164 1.983 3.429 1.00 5.00 -ATOM 384 CB SER A 198 35.706 1.477 4.635 1.00 5.00 -ATOM 385 CA LYS A 199 39.472 3.608 3.691 1.00 5.00 -ATOM 386 CB LYS A 199 41.616 5.873 3.884 1.00 5.00 -ATOM 387 CA VAL A 200 39.361 3.550 7.499 1.00 5.00 -ATOM 388 CB VAL A 200 38.966 4.234 8.733 1.00 5.00 -ATOM 389 CA PRO A 201 39.138 -0.388 8.771 1.00 5.00 -ATOM 390 CB PRO A 201 40.583 -0.121 8.777 1.00 5.00 -ATOM 391 CA PHE A 202 35.861 -0.134 10.877 1.00 5.00 -ATOM 392 CB PHE A 202 33.126 -0.104 11.977 1.00 5.00 -ATOM 393 CA GLY A 203 37.836 -1.553 13.900 1.00 5.00 -ATOM 394 CA THR A 204 39.445 1.460 15.543 1.00 5.00 -ATOM 395 CB THR A 204 39.866 1.908 14.075 1.00 5.00 -ATOM 396 CA CYS A 205 36.102 2.903 16.648 1.00 5.00 -ATOM 397 CB CYS A 205 34.816 2.349 16.547 1.00 5.00 -ATOM 398 CA GLN A 206 35.561 4.617 19.894 1.00 5.00 -ATOM 399 CB GLN A 206 38.225 5.300 20.100 1.00 5.00 -ATOM 400 CA HIS A 207 31.813 4.834 19.172 1.00 5.00 -ATOM 401 CB HIS A 207 31.299 4.596 16.390 1.00 5.00 -ATOM 402 CA PHE A 208 30.996 2.034 21.589 1.00 5.00 -ATOM 403 CB PHE A 208 29.692 0.156 19.541 1.00 5.00 -ATOM 404 CA LEU A 209 33.406 3.373 24.420 1.00 5.00 -ATOM 405 CB LEU A 209 35.309 3.948 25.267 1.00 5.00 -ATOM 406 CA VAL A 210 32.703 7.200 23.556 1.00 5.00 -ATOM 407 CB VAL A 210 33.038 7.724 22.226 1.00 5.00 -ATOM 408 CA ALA A 211 29.008 6.367 23.677 1.00 5.00 -ATOM 409 CB ALA A 211 29.131 5.571 23.441 1.00 5.00 -ATOM 410 CA ASN A 212 29.337 5.140 27.334 1.00 5.00 -ATOM 411 CB ASN A 212 30.573 3.485 27.063 1.00 5.00 -ATOM 412 CA ARG A 213 31.296 8.040 28.527 1.00 5.00 -ATOM 413 CB ARG A 213 34.560 7.886 27.649 1.00 5.00 -ATOM 414 CA TYR A 214 28.306 10.072 27.295 1.00 5.00 -ATOM 415 CB TYR A 214 25.556 10.854 25.624 1.00 5.00 -ATOM 416 CA LEU A 215 26.030 7.985 29.555 1.00 5.00 -ATOM 417 CB LEU A 215 25.856 6.480 28.282 1.00 5.00 -ATOM 418 CA GLU A 216 28.160 8.553 32.560 1.00 5.00 -ATOM 419 CB GLU A 216 30.416 9.403 32.415 1.00 5.00 -ATOM 420 CA THR A 217 27.931 12.477 32.119 1.00 5.00 -ATOM 421 CB THR A 217 28.933 13.367 31.520 1.00 5.00 -ATOM 422 CA ARG A 218 24.192 12.561 32.246 1.00 5.00 -ATOM 423 CB ARG A 218 22.739 10.937 29.509 1.00 5.00 -ATOM 424 CA SER A 219 23.112 9.784 34.845 1.00 5.00 -ATOM 425 CB SER A 219 22.873 10.168 36.132 1.00 5.00 -ATOM 426 CA ILE A 220 22.501 6.607 32.594 1.00 5.00 -ATOM 427 CB ILE A 220 21.596 6.945 31.249 1.00 5.00 -ATOM 428 CA SER A 221 23.842 3.124 32.519 1.00 5.00 -ATOM 429 CB SER A 221 22.621 2.633 32.732 1.00 5.00 -ATOM 430 CA PRO A 222 26.689 2.488 29.772 1.00 5.00 -ATOM 431 CB PRO A 222 27.478 2.590 30.931 1.00 5.00 -ATOM 432 CA ILE A 223 25.503 -0.529 27.618 1.00 5.00 -ATOM 433 CB ILE A 223 26.802 0.106 26.321 1.00 5.00 -ATOM 434 CA ASP A 224 26.830 -4.057 28.180 1.00 5.00 -ATOM 435 CB ASP A 224 26.426 -5.973 28.719 1.00 5.00 -ATOM 436 CA TRP A 225 27.581 -4.552 24.717 1.00 5.00 -ATOM 437 CB TRP A 225 26.500 -2.677 21.744 1.00 5.00 -ATOM 438 CA SER A 226 28.630 -8.298 24.319 1.00 5.00 -ATOM 439 CB SER A 226 29.257 -8.308 25.361 1.00 5.00 -ATOM 440 CA VAL A 227 26.820 -10.947 22.427 1.00 5.00 -ATOM 441 CB VAL A 227 25.390 -10.888 22.150 1.00 5.00 +REMARK CLUSTER 1 FREE ENERGY -1.44552E+01 AVE RMSD 0.00 +REMARK clustering ENERGY -1.13191E+01 RMS 0.00 +ATOM 1 CA ASP A 1 23.311 20.969 2.631 1.00 5.00 +ATOM 2 CB ASP A 1 22.344 22.296 1.532 1.00 5.00 +ATOM 3 CA TRP A 2 22.006 17.954 4.336 1.00 5.00 +ATOM 4 CB TRP A 2 21.843 14.785 6.280 1.00 5.00 +ATOM 5 CA THR A 3 21.695 20.270 7.293 1.00 5.00 +ATOM 6 CB THR A 3 22.668 21.408 7.589 1.00 5.00 +ATOM 7 CA THR A 4 17.883 20.898 6.802 1.00 5.00 +ATOM 8 CB THR A 4 17.631 22.336 6.551 1.00 5.00 +ATOM 9 CA PHE A 5 17.278 17.222 6.138 1.00 5.00 +ATOM 10 CB PHE A 5 16.591 14.676 4.566 1.00 5.00 +ATOM 11 CA ARG A 6 19.622 16.286 9.120 1.00 5.00 +ATOM 12 CB ARG A 6 21.659 17.621 11.482 1.00 5.00 +ATOM 13 CA ARG A 7 17.323 18.926 11.203 1.00 5.00 +ATOM 14 CB ARG A 7 17.712 22.968 11.271 1.00 5.00 +ATOM 15 CA VAL A 8 14.292 17.871 9.643 1.00 5.00 +ATOM 16 CB VAL A 8 13.452 18.115 8.406 1.00 5.00 +ATOM 17 CA PHE A 9 14.067 14.054 10.433 1.00 5.00 +ATOM 18 CB PHE A 9 13.318 12.687 7.858 1.00 5.00 +ATOM 19 CA LEU A 10 16.562 14.304 13.242 1.00 5.00 +ATOM 20 CB LEU A 10 15.276 14.253 14.850 1.00 5.00 +ATOM 21 CA ILE A 11 19.453 12.331 11.631 1.00 5.00 +ATOM 22 CB ILE A 11 18.570 11.869 10.012 1.00 5.00 +ATOM 23 CA ASP A 12 22.690 10.933 12.896 1.00 5.00 +ATOM 24 CB ASP A 12 23.071 9.263 11.926 1.00 5.00 +ATOM 25 CA ASP A 13 26.232 12.069 11.689 1.00 5.00 +ATOM 26 CB ASP A 13 26.027 14.019 11.971 1.00 5.00 +ATOM 27 CA ALA A 14 27.957 8.856 10.203 1.00 5.00 +ATOM 28 CB ALA A 14 27.557 8.281 10.657 1.00 5.00 +ATOM 29 CA TRP A 15 24.810 8.464 8.045 1.00 5.00 +ATOM 30 CB TRP A 15 22.877 6.001 6.896 1.00 5.00 +ATOM 31 CA ARG A 16 25.686 11.964 6.294 1.00 5.00 +ATOM 32 CB ARG A 16 28.119 14.189 5.625 1.00 5.00 +ATOM 33 CA PRO A 17 28.491 10.003 4.059 1.00 5.00 +ATOM 34 CB PRO A 17 28.910 9.462 5.250 1.00 5.00 +ATOM 35 CA LEU A 18 26.076 7.818 2.091 1.00 5.00 +ATOM 36 CB LEU A 18 25.692 5.901 2.850 1.00 5.00 +ATOM 37 CA MET A 19 23.111 10.128 2.730 1.00 5.00 +ATOM 38 CB MET A 19 21.762 9.355 3.985 1.00 5.00 +ATOM 39 CA GLU A 20 24.104 13.586 0.685 1.00 5.00 +ATOM 40 CB GLU A 20 24.582 15.662 1.855 1.00 5.00 +ATOM 41 CA PRO A 21 25.021 11.652 -2.487 1.00 5.00 +ATOM 42 CB PRO A 21 25.741 10.951 -1.564 1.00 5.00 +ATOM 43 CA GLU A 22 21.459 11.012 -2.911 1.00 5.00 +ATOM 44 CB GLU A 22 21.526 8.757 -2.043 1.00 5.00 +ATOM 45 CA LEU A 23 19.943 14.308 -1.776 1.00 5.00 +ATOM 46 CB LEU A 23 19.659 14.736 0.013 1.00 5.00 +ATOM 47 CA ALA A 24 21.531 16.370 -4.775 1.00 5.00 +ATOM 48 CB ALA A 24 22.154 16.731 -4.942 1.00 5.00 +ATOM 49 CA ASN A 25 19.753 14.367 -7.276 1.00 5.00 +ATOM 50 CB ASN A 25 19.935 12.499 -6.793 1.00 5.00 +ATOM 51 CA PRO A 26 16.475 14.832 -9.200 1.00 5.00 +ATOM 52 CB PRO A 26 17.555 14.564 -10.122 1.00 5.00 +ATOM 53 CA LEU A 27 13.961 12.003 -8.367 1.00 5.00 +ATOM 54 CB LEU A 27 13.077 10.401 -9.294 1.00 5.00 +ATOM 55 CA THR A 28 15.296 12.547 -4.763 1.00 5.00 +ATOM 56 CB THR A 28 16.556 11.985 -4.169 1.00 5.00 +ATOM 57 CA ALA A 29 14.240 16.057 -4.538 1.00 5.00 +ATOM 58 CB ALA A 29 14.286 16.459 -5.143 1.00 5.00 +ATOM 59 CA HIS A 30 10.553 15.511 -5.194 1.00 5.00 +ATOM 60 CB HIS A 30 9.578 13.414 -6.729 1.00 5.00 +ATOM 61 CA LEU A 31 10.837 12.326 -3.061 1.00 5.00 +ATOM 62 CB LEU A 31 12.197 10.801 -2.884 1.00 5.00 +ATOM 63 CA LEU A 32 11.349 15.061 -0.120 1.00 5.00 +ATOM 64 CB LEU A 32 13.461 15.250 -0.183 1.00 5.00 +ATOM 65 CA ALA A 33 8.851 17.356 -1.282 1.00 5.00 +ATOM 66 CB ALA A 33 8.877 17.820 -1.957 1.00 5.00 +ATOM 67 CA GLU A 34 6.061 14.690 -1.684 1.00 5.00 +ATOM 68 CB GLU A 34 4.010 14.078 -3.332 1.00 5.00 +ATOM 69 CA TYR A 35 6.762 13.609 1.858 1.00 5.00 +ATOM 70 CB TYR A 35 8.687 11.363 3.572 1.00 5.00 +ATOM 71 CA ASN A 36 5.739 17.030 2.975 1.00 5.00 +ATOM 72 CB ASN A 36 7.646 17.363 2.792 1.00 5.00 +ATOM 73 CA ARG A 37 2.748 17.707 0.922 1.00 5.00 +ATOM 74 CB ARG A 37 3.681 20.043 -1.305 1.00 5.00 +ATOM 75 CA ARG A 38 1.441 14.207 2.288 1.00 5.00 +ATOM 76 CB ARG A 38 2.443 11.430 0.733 1.00 5.00 +ATOM 77 CA CYS A 39 2.171 15.151 6.043 1.00 5.00 +ATOM 78 CB CYS A 39 3.539 14.762 6.083 1.00 5.00 +ATOM 79 CA GLN A 40 -0.650 17.708 5.914 1.00 5.00 +ATOM 80 CB GLN A 40 -0.477 20.326 4.951 1.00 5.00 +ATOM 81 CA THR A 41 -3.754 15.758 4.864 1.00 5.00 +ATOM 82 CB THR A 41 -3.772 15.434 3.408 1.00 5.00 +ATOM 83 CA GLU A 42 -3.243 12.377 6.350 1.00 5.00 +ATOM 84 CB GLU A 42 -1.168 12.732 5.207 1.00 5.00 +ATOM 85 CA GLU A 43 -1.962 10.708 9.634 1.00 5.00 +ATOM 86 CB GLU A 43 -4.265 9.165 9.907 1.00 5.00 +ATOM 87 CA VAL A 44 1.631 9.300 8.307 1.00 5.00 +ATOM 88 CB VAL A 44 2.498 9.950 7.384 1.00 5.00 +ATOM 89 CA LEU A 45 3.033 5.933 9.698 1.00 5.00 +ATOM 90 CB LEU A 45 2.470 4.214 10.474 1.00 5.00 +ATOM 91 CA PRO A 46 6.327 7.244 10.845 1.00 5.00 +ATOM 92 CB PRO A 46 6.268 7.739 9.563 1.00 5.00 +ATOM 93 CA PRO A 47 6.268 9.771 13.667 1.00 5.00 +ATOM 94 CB PRO A 47 5.813 8.546 14.242 1.00 5.00 +ATOM 95 CA ARG A 48 8.507 11.886 11.433 1.00 5.00 +ATOM 96 CB ARG A 48 9.391 13.887 8.509 1.00 5.00 +ATOM 97 CA GLU A 49 11.252 11.546 14.048 1.00 5.00 +ATOM 98 CB GLU A 49 10.177 13.498 15.080 1.00 5.00 +ATOM 99 CA ASP A 50 11.309 7.705 14.352 1.00 5.00 +ATOM 100 CB ASP A 50 9.452 7.277 15.102 1.00 5.00 +ATOM 101 CA VAL A 51 11.442 7.401 10.342 1.00 5.00 +ATOM 102 CB VAL A 51 10.806 8.500 9.530 1.00 5.00 +ATOM 103 CA PHE A 52 15.057 7.337 10.028 1.00 5.00 +ATOM 104 CB PHE A 52 15.829 7.456 7.345 1.00 5.00 +ATOM 105 CA SER A 53 15.701 6.144 13.451 1.00 5.00 +ATOM 106 CB SER A 53 14.787 5.219 13.683 1.00 5.00 +ATOM 107 CA TRP A 54 17.255 3.121 12.215 1.00 5.00 +ATOM 108 CB TRP A 54 16.769 3.397 8.883 1.00 5.00 +ATOM 109 CA THR A 55 20.015 5.240 11.175 1.00 5.00 +ATOM 110 CB THR A 55 20.213 6.489 10.429 1.00 5.00 +ATOM 111 CA ARG A 56 20.772 6.810 14.758 1.00 5.00 +ATOM 112 CB ARG A 56 20.617 8.926 17.329 1.00 5.00 +ATOM 113 CA TYR A 57 21.215 3.336 16.314 1.00 5.00 +ATOM 114 CB TYR A 57 17.835 2.562 16.281 1.00 5.00 +ATOM 115 CA CYS A 58 24.428 1.970 14.873 1.00 5.00 +ATOM 116 CB CYS A 58 24.123 0.759 14.203 1.00 5.00 +ATOM 117 CA THR A 59 27.033 3.466 12.625 1.00 5.00 +ATOM 118 CB THR A 59 28.204 4.181 13.165 1.00 5.00 +ATOM 119 CA PRO A 60 27.737 2.596 9.063 1.00 5.00 +ATOM 120 CB PRO A 60 27.519 3.946 8.827 1.00 5.00 +ATOM 121 CA ASP A 61 30.859 0.524 10.017 1.00 5.00 +ATOM 122 CB ASP A 61 32.482 1.770 9.812 1.00 5.00 +ATOM 123 CA GLU A 62 29.670 -1.328 12.932 1.00 5.00 +ATOM 124 CB GLU A 62 28.286 -1.052 14.829 1.00 5.00 +ATOM 125 CA VAL A 63 26.955 -2.898 10.680 1.00 5.00 +ATOM 126 CB VAL A 63 26.614 -2.234 9.500 1.00 5.00 +ATOM 127 CA ARG A 64 27.380 -6.507 9.877 1.00 5.00 +ATOM 128 CB ARG A 64 27.053 -7.292 13.126 1.00 5.00 +ATOM 129 CA VAL A 65 23.644 -7.765 9.147 1.00 5.00 +ATOM 130 CB VAL A 65 23.033 -8.761 9.944 1.00 5.00 +ATOM 131 CA VAL A 66 21.334 -6.212 6.451 1.00 5.00 +ATOM 132 CB VAL A 66 21.602 -5.271 5.437 1.00 5.00 +ATOM 133 CA ILE A 67 17.617 -7.192 6.523 1.00 5.00 +ATOM 134 CB ILE A 67 17.270 -8.597 7.761 1.00 5.00 +ATOM 135 CA ILE A 68 14.740 -5.581 4.329 1.00 5.00 +ATOM 136 CB ILE A 68 15.248 -4.193 3.158 1.00 5.00 +ATOM 137 CA GLY A 69 10.944 -5.534 4.325 1.00 5.00 +ATOM 138 CA GLN A 70 8.059 -3.942 2.363 1.00 5.00 +ATOM 139 CB GLN A 70 5.655 -5.258 2.790 1.00 5.00 +ATOM 140 CA ASP A 71 6.844 -0.724 4.265 1.00 5.00 +ATOM 141 CB ASP A 71 4.874 -1.303 3.892 1.00 5.00 +ATOM 142 CA PRO A 72 6.166 0.008 7.870 1.00 5.00 +ATOM 143 CB PRO A 72 6.458 1.411 7.695 1.00 5.00 +ATOM 144 CA TYR A 73 3.091 -1.408 9.222 1.00 5.00 +ATOM 145 CB TYR A 73 4.357 -3.192 11.913 1.00 5.00 +ATOM 146 CA HIS A 74 -0.182 0.482 9.222 1.00 5.00 +ATOM 147 CB HIS A 74 -2.099 -1.302 8.417 1.00 5.00 +ATOM 148 CA HIS A 75 -2.051 0.537 12.617 1.00 5.00 +ATOM 149 CB HIS A 75 -1.376 -0.972 14.812 1.00 5.00 +ATOM 150 CA PRO A 76 -1.218 3.780 14.536 1.00 5.00 +ATOM 151 CB PRO A 76 -2.566 3.853 14.848 1.00 5.00 +ATOM 152 CA GLY A 77 1.413 2.314 16.896 1.00 5.00 +ATOM 153 CA GLN A 78 2.638 -0.511 14.614 1.00 5.00 +ATOM 154 CB GLN A 78 1.341 -1.255 12.715 1.00 5.00 +ATOM 155 CA ALA A 79 6.082 0.569 13.465 1.00 5.00 +ATOM 156 CB ALA A 79 5.907 0.517 12.638 1.00 5.00 +ATOM 157 CA HIS A 80 9.030 2.881 14.658 1.00 5.00 +ATOM 158 CB HIS A 80 10.188 0.764 15.877 1.00 5.00 +ATOM 159 CA GLY A 81 11.341 2.917 11.751 1.00 5.00 +ATOM 160 CA LEU A 82 13.032 -0.516 11.978 1.00 5.00 +ATOM 161 CB LEU A 82 14.605 -1.403 12.905 1.00 5.00 +ATOM 162 CA ALA A 83 11.972 -3.270 9.736 1.00 5.00 +ATOM 163 CB ALA A 83 12.522 -3.783 9.380 1.00 5.00 +ATOM 164 CA PHE A 84 9.462 -6.017 10.947 1.00 5.00 +ATOM 165 CB PHE A 84 10.782 -7.536 8.587 1.00 5.00 +ATOM 166 CA SER A 85 9.501 -4.352 14.448 1.00 5.00 +ATOM 167 CB SER A 85 9.453 -3.326 13.618 1.00 5.00 +ATOM 168 CA VAL A 86 6.786 -2.895 16.699 1.00 5.00 +ATOM 169 CB VAL A 86 6.733 -3.790 17.953 1.00 5.00 +ATOM 170 CA ARG A 87 6.741 -0.730 19.909 1.00 5.00 +ATOM 171 CB ARG A 87 5.661 1.238 17.200 1.00 5.00 +ATOM 172 CA ALA A 88 6.864 -2.971 22.787 1.00 5.00 +ATOM 173 CB ALA A 88 6.695 -2.326 23.267 1.00 5.00 +ATOM 174 CA ASN A 89 3.474 -1.819 23.941 1.00 5.00 +ATOM 175 CB ASN A 89 2.944 0.192 23.638 1.00 5.00 +ATOM 176 CA VAL A 90 2.095 -3.890 20.949 1.00 5.00 +ATOM 177 CB VAL A 90 2.110 -3.234 19.615 1.00 5.00 +ATOM 178 CA PRO A 91 1.659 -7.685 20.308 1.00 5.00 +ATOM 179 CB PRO A 91 0.299 -7.619 20.289 1.00 5.00 +ATOM 180 CA PRO A 92 4.218 -9.093 17.636 1.00 5.00 +ATOM 181 CB PRO A 92 4.458 -10.116 18.742 1.00 5.00 +ATOM 182 CA PRO A 93 2.510 -8.730 14.430 1.00 5.00 +ATOM 183 CB PRO A 93 3.646 -8.233 13.754 1.00 5.00 +ATOM 184 CA PRO A 94 2.330 -12.551 13.252 1.00 5.00 +ATOM 185 CB PRO A 94 1.506 -12.184 12.156 1.00 5.00 +ATOM 186 CA SER A 95 5.138 -11.773 10.691 1.00 5.00 +ATOM 187 CB SER A 95 4.647 -11.412 9.500 1.00 5.00 +ATOM 188 CA LEU A 96 7.458 -10.662 13.469 1.00 5.00 +ATOM 189 CB LEU A 96 8.431 -9.336 14.684 1.00 5.00 +ATOM 190 CA ARG A 97 6.328 -13.616 15.921 1.00 5.00 +ATOM 191 CB ARG A 97 3.145 -14.033 17.499 1.00 5.00 +ATOM 192 CA ASN A 98 7.111 -16.100 13.177 1.00 5.00 +ATOM 193 CB ASN A 98 5.935 -15.591 11.679 1.00 5.00 +ATOM 194 CA VAL A 99 10.611 -14.584 12.758 1.00 5.00 +ATOM 195 CB VAL A 99 10.313 -13.450 11.821 1.00 5.00 +ATOM 196 CA LEU A 100 10.891 -14.693 16.654 1.00 5.00 +ATOM 197 CB LEU A 100 9.900 -13.084 17.702 1.00 5.00 +ATOM 198 CA ALA A 101 9.984 -18.451 16.417 1.00 5.00 +ATOM 199 CB ALA A 101 9.290 -18.810 16.221 1.00 5.00 +ATOM 200 CA ALA A 102 12.359 -18.951 13.655 1.00 5.00 +ATOM 201 CB ALA A 102 12.609 -18.489 12.972 1.00 5.00 +ATOM 202 CA VAL A 103 15.349 -17.489 15.472 1.00 5.00 +ATOM 203 CB VAL A 103 15.712 -16.037 15.590 1.00 5.00 +ATOM 204 CA LYS A 104 14.328 -19.349 18.637 1.00 5.00 +ATOM 205 CB LYS A 104 11.750 -20.335 19.848 1.00 5.00 +ATOM 206 CA ASN A 105 13.930 -22.629 16.834 1.00 5.00 +ATOM 207 CB ASN A 105 11.877 -22.249 16.967 1.00 5.00 +ATOM 208 CA CYS A 106 17.566 -22.008 15.508 1.00 5.00 +ATOM 209 CB CYS A 106 17.406 -21.450 14.218 1.00 5.00 +ATOM 210 CA TYR A 107 18.910 -20.932 18.963 1.00 5.00 +ATOM 211 CB TYR A 107 21.375 -19.085 17.692 1.00 5.00 +ATOM 212 CA PRO A 108 17.066 -23.034 21.821 1.00 5.00 +ATOM 213 CB PRO A 108 17.273 -24.030 20.881 1.00 5.00 +ATOM 214 CA GLU A 109 19.326 -21.567 24.401 1.00 5.00 +ATOM 215 CB GLU A 109 21.720 -21.500 24.363 1.00 5.00 +ATOM 216 CA ALA A 110 17.771 -17.849 24.301 1.00 5.00 +ATOM 217 CB ALA A 110 17.101 -17.905 23.923 1.00 5.00 +ATOM 218 CA ARG A 111 15.214 -16.361 26.766 1.00 5.00 +ATOM 219 CB ARG A 111 17.237 -13.580 27.015 1.00 5.00 +ATOM 220 CA MET A 112 13.000 -14.578 24.086 1.00 5.00 +ATOM 221 CB MET A 112 13.262 -15.368 21.795 1.00 5.00 +ATOM 222 CA SER A 113 11.119 -11.898 26.379 1.00 5.00 +ATOM 223 CB SER A 113 11.368 -10.604 26.205 1.00 5.00 +ATOM 224 CA GLY A 114 7.763 -11.453 24.531 1.00 5.00 +ATOM 225 CA HIS A 115 8.299 -7.649 23.314 1.00 5.00 +ATOM 226 CB HIS A 115 8.392 -5.387 25.033 1.00 5.00 +ATOM 227 CA GLY A 116 9.022 -7.523 19.634 1.00 5.00 +ATOM 228 CA CYS A 117 11.338 -4.461 20.167 1.00 5.00 +ATOM 229 CB CYS A 117 11.947 -4.123 21.401 1.00 5.00 +ATOM 230 CA LEU A 118 13.946 -5.050 17.587 1.00 5.00 +ATOM 231 CB LEU A 118 13.576 -5.346 15.733 1.00 5.00 +ATOM 232 CA GLU A 119 16.112 -2.208 19.127 1.00 5.00 +ATOM 233 CB GLU A 119 14.998 -0.294 20.025 1.00 5.00 +ATOM 234 CA LYS A 120 18.442 -4.880 20.571 1.00 5.00 +ATOM 235 CB LYS A 120 17.606 -6.649 22.787 1.00 5.00 +ATOM 236 CA TRP A 121 19.288 -6.212 17.163 1.00 5.00 +ATOM 237 CB TRP A 121 17.168 -8.961 17.343 1.00 5.00 +ATOM 238 CA ALA A 122 19.912 -2.558 15.536 1.00 5.00 +ATOM 239 CB ALA A 122 19.555 -1.839 15.541 1.00 5.00 +ATOM 240 CA ARG A 123 21.960 -1.470 18.626 1.00 5.00 +ATOM 241 CB ARG A 123 20.330 1.045 19.756 1.00 5.00 +ATOM 242 CA ASP A 124 23.821 -4.842 18.040 1.00 5.00 +ATOM 243 CB ASP A 124 22.664 -6.552 18.358 1.00 5.00 +ATOM 244 CA GLY A 125 25.125 -3.964 14.475 1.00 5.00 +ATOM 245 CA VAL A 126 22.025 -5.390 12.351 1.00 5.00 +ATOM 246 CB VAL A 126 20.917 -6.043 13.030 1.00 5.00 +ATOM 247 CA LEU A 127 20.537 -2.904 9.901 1.00 5.00 +ATOM 248 CB LEU A 127 21.444 -1.122 9.121 1.00 5.00 +ATOM 249 CA LEU A 128 17.103 -3.797 9.266 1.00 5.00 +ATOM 250 CB LEU A 128 16.490 -5.363 10.547 1.00 5.00 +ATOM 251 CA LEU A 129 16.034 -1.597 6.527 1.00 5.00 +ATOM 252 CB LEU A 129 17.250 -0.318 5.519 1.00 5.00 +ATOM 253 CA ASN A 130 12.362 -0.658 5.648 1.00 5.00 +ATOM 254 CB ASN A 130 11.299 -0.317 7.376 1.00 5.00 +ATOM 255 CA THR A 131 12.235 -0.162 1.663 1.00 5.00 +ATOM 256 CB THR A 131 12.287 -1.414 0.952 1.00 5.00 +ATOM 257 CA THR A 132 9.154 1.994 1.999 1.00 5.00 +ATOM 258 CB THR A 132 7.850 1.707 1.580 1.00 5.00 +ATOM 259 CA LEU A 133 9.860 4.069 4.963 1.00 5.00 +ATOM 260 CB LEU A 133 11.082 3.910 6.673 1.00 5.00 +ATOM 261 CA THR A 134 6.383 5.805 5.074 1.00 5.00 +ATOM 262 CB THR A 134 5.677 6.901 4.529 1.00 5.00 +ATOM 263 CA VAL A 135 2.498 4.900 5.106 1.00 5.00 +ATOM 264 CB VAL A 135 2.667 3.574 5.794 1.00 5.00 +ATOM 265 CA LYS A 136 -1.078 6.577 5.071 1.00 5.00 +ATOM 266 CB LYS A 136 -1.639 8.156 2.723 1.00 5.00 +ATOM 267 CA ARG A 137 -2.109 5.425 8.680 1.00 5.00 +ATOM 268 CB ARG A 137 -0.694 6.810 11.421 1.00 5.00 +ATOM 269 CA GLY A 138 -4.517 3.136 7.067 1.00 5.00 +ATOM 270 CA ALA A 139 -3.017 2.316 3.592 1.00 5.00 +ATOM 271 CB ALA A 139 -2.967 2.994 3.232 1.00 5.00 +ATOM 272 CA ALA A 140 -0.475 -0.420 3.109 1.00 5.00 +ATOM 273 CB ALA A 140 -0.705 -0.888 3.688 1.00 5.00 +ATOM 274 CA ALA A 141 1.738 0.590 0.151 1.00 5.00 +ATOM 275 CB ALA A 141 0.994 0.487 -0.105 1.00 5.00 +ATOM 276 CA SER A 142 0.007 4.287 -0.228 1.00 5.00 +ATOM 277 CB SER A 142 0.225 4.870 0.910 1.00 5.00 +ATOM 278 CA HIS A 143 3.389 5.910 -0.475 1.00 5.00 +ATOM 279 CB HIS A 143 5.904 6.694 0.224 1.00 5.00 +ATOM 280 CA SER A 144 5.365 3.025 -2.153 1.00 5.00 +ATOM 281 CB SER A 144 5.157 1.782 -2.793 1.00 5.00 +ATOM 282 CA ARG A 145 5.225 4.961 -5.596 1.00 5.00 +ATOM 283 CB ARG A 145 5.484 2.267 -8.013 1.00 5.00 +ATOM 284 CA ILE A 146 6.989 8.083 -3.970 1.00 5.00 +ATOM 285 CB ILE A 146 7.215 9.698 -3.027 1.00 5.00 +ATOM 286 CA GLY A 147 10.560 6.837 -4.596 1.00 5.00 +ATOM 287 CA TRP A 148 11.765 5.524 -1.218 1.00 5.00 +ATOM 288 CB TRP A 148 13.006 7.443 1.170 1.00 5.00 +ATOM 289 CA ASP A 149 13.158 2.275 -2.698 1.00 5.00 +ATOM 290 CB ASP A 149 13.278 0.272 -2.852 1.00 5.00 +ATOM 291 CA ARG A 150 15.055 4.711 -5.027 1.00 5.00 +ATOM 292 CB ARG A 150 15.780 7.300 -6.069 1.00 5.00 +ATOM 293 CA PHE A 151 16.515 6.752 -2.151 1.00 5.00 +ATOM 294 CB PHE A 151 17.627 8.538 0.045 1.00 5.00 +ATOM 295 CA VAL A 152 16.630 3.443 -0.076 1.00 5.00 +ATOM 296 CB VAL A 152 15.835 2.853 1.045 1.00 5.00 +ATOM 297 CA GLY A 153 18.403 1.516 -2.817 1.00 5.00 +ATOM 298 CA GLY A 154 20.672 4.625 -3.309 1.00 5.00 +ATOM 299 CA VAL A 155 22.058 4.486 0.146 1.00 5.00 +ATOM 300 CB VAL A 155 20.962 4.991 1.065 1.00 5.00 +ATOM 301 CA ILE A 156 22.334 0.474 0.204 1.00 5.00 +ATOM 302 CB ILE A 156 21.265 -0.364 1.058 1.00 5.00 +ATOM 303 CA ARG A 157 24.828 0.600 -2.717 1.00 5.00 +ATOM 304 CB ARG A 157 23.903 2.706 -5.341 1.00 5.00 +ATOM 305 CA ARG A 158 27.000 3.130 -0.884 1.00 5.00 +ATOM 306 CB ARG A 158 28.200 6.050 -1.532 1.00 5.00 +ATOM 307 CA LEU A 159 26.971 0.969 2.295 1.00 5.00 +ATOM 308 CB LEU A 159 25.777 -0.649 3.165 1.00 5.00 +ATOM 309 CA ALA A 160 27.596 -2.254 0.037 1.00 5.00 +ATOM 310 CB ALA A 160 27.546 -2.672 -0.624 1.00 5.00 +ATOM 311 CA ALA A 161 30.587 -0.154 -1.611 1.00 5.00 +ATOM 312 CB ALA A 161 30.585 0.597 -1.849 1.00 5.00 +ATOM 313 CA ARG A 162 31.952 0.999 1.813 1.00 5.00 +ATOM 314 CB ARG A 162 29.981 3.195 3.680 1.00 5.00 +ATOM 315 CA ARG A 163 31.510 -2.583 3.309 1.00 5.00 +ATOM 316 CB ARG A 163 30.730 -2.924 6.754 1.00 5.00 +ATOM 317 CA PRO A 164 32.240 -5.741 1.346 1.00 5.00 +ATOM 318 CB PRO A 164 33.571 -5.158 1.090 1.00 5.00 +ATOM 319 CA GLY A 165 31.419 -8.648 3.810 1.00 5.00 +ATOM 320 CA LEU A 166 27.899 -8.135 5.171 1.00 5.00 +ATOM 321 CB LEU A 166 26.851 -6.431 5.801 1.00 5.00 +ATOM 322 CA VAL A 167 24.943 -10.544 5.302 1.00 5.00 +ATOM 323 CB VAL A 167 25.037 -11.128 6.751 1.00 5.00 +ATOM 324 CA PHE A 168 21.501 -9.865 3.624 1.00 5.00 +ATOM 325 CB PHE A 168 22.743 -7.755 1.822 1.00 5.00 +ATOM 326 CA MET A 169 18.730 -11.925 4.631 1.00 5.00 +ATOM 327 CB MET A 169 19.687 -12.407 6.974 1.00 5.00 +ATOM 328 CA LEU A 170 16.544 -10.972 1.522 1.00 5.00 +ATOM 329 CB LEU A 170 17.454 -10.106 -0.035 1.00 5.00 +ATOM 330 CA TRP A 171 13.233 -12.403 2.592 1.00 5.00 +ATOM 331 CB TRP A 171 13.560 -12.705 5.807 1.00 5.00 +ATOM 332 CA GLY A 172 10.594 -12.857 -0.116 1.00 5.00 +ATOM 333 CA THR A 173 10.723 -12.273 -3.848 1.00 5.00 +ATOM 334 CB THR A 173 10.793 -13.117 -5.143 1.00 5.00 +ATOM 335 CA HIS A 174 9.512 -8.675 -3.445 1.00 5.00 +ATOM 336 CB HIS A 174 8.892 -9.330 -0.839 1.00 5.00 +ATOM 337 CA ALA A 175 12.819 -8.294 -1.257 1.00 5.00 +ATOM 338 CB ALA A 175 12.687 -8.321 -0.458 1.00 5.00 +ATOM 339 CA GLN A 176 15.036 -10.534 -3.454 1.00 5.00 +ATOM 340 CB GLN A 176 14.353 -12.238 -1.791 1.00 5.00 +ATOM 341 CA ASN A 177 14.088 -8.650 -6.580 1.00 5.00 +ATOM 342 CB ASN A 177 12.450 -9.667 -6.743 1.00 5.00 +ATOM 343 CA ALA A 178 14.992 -5.183 -4.995 1.00 5.00 +ATOM 344 CB ALA A 178 14.422 -5.483 -4.530 1.00 5.00 +ATOM 345 CA ILE A 179 18.578 -5.311 -3.724 1.00 5.00 +ATOM 346 CB ILE A 179 18.899 -5.256 -1.920 1.00 5.00 +ATOM 347 CA ARG A 180 20.744 -7.596 -5.734 1.00 5.00 +ATOM 348 CB ARG A 180 18.093 -9.592 -5.663 1.00 5.00 +ATOM 349 CA PRO A 181 24.068 -7.623 -4.202 1.00 5.00 +ATOM 350 CB PRO A 181 23.385 -8.130 -3.133 1.00 5.00 +ATOM 351 CA ASP A 182 27.580 -8.900 -5.378 1.00 5.00 +ATOM 352 CB ASP A 182 28.067 -6.986 -4.860 1.00 5.00 +ATOM 353 CA PRO A 183 27.378 -12.460 -4.382 1.00 5.00 +ATOM 354 CB PRO A 183 26.668 -12.476 -5.658 1.00 5.00 +ATOM 355 CA ARG A 184 31.053 -12.907 -3.884 1.00 5.00 +ATOM 356 CB ARG A 184 30.404 -15.647 -5.320 1.00 5.00 +ATOM 357 CA VAL A 185 31.592 -9.608 -1.981 1.00 5.00 +ATOM 358 CB VAL A 185 32.298 -8.277 -2.204 1.00 5.00 +ATOM 359 CA HIS A 186 28.668 -10.359 0.179 1.00 5.00 +ATOM 360 CB HIS A 186 28.659 -7.688 0.790 1.00 5.00 +ATOM 361 CA CYS A 187 26.270 -13.194 2.132 1.00 5.00 +ATOM 362 CB CYS A 187 26.056 -13.863 3.262 1.00 5.00 +ATOM 363 CA VAL A 188 23.052 -12.873 0.322 1.00 5.00 +ATOM 364 CB VAL A 188 23.233 -12.951 -1.113 1.00 5.00 +ATOM 365 CA LEU A 189 20.656 -15.164 2.459 1.00 5.00 +ATOM 366 CB LEU A 189 21.368 -15.733 4.400 1.00 5.00 +ATOM 367 CA LYS A 190 17.434 -15.585 0.534 1.00 5.00 +ATOM 368 CB LYS A 190 17.636 -17.786 -1.410 1.00 5.00 +ATOM 369 CA PHE A 191 14.218 -17.257 1.799 1.00 5.00 +ATOM 370 CB PHE A 191 15.514 -19.071 3.896 1.00 5.00 +ATOM 371 CA SER A 192 10.586 -17.009 1.564 1.00 5.00 +ATOM 372 CB SER A 192 9.601 -17.173 0.779 1.00 5.00 +ATOM 373 CA HIS A 193 8.183 -14.659 3.470 1.00 5.00 +ATOM 374 CB HIS A 193 6.524 -14.227 1.311 1.00 5.00 +ATOM 375 CA PRO A 194 7.587 -14.469 7.178 1.00 5.00 +ATOM 376 CB PRO A 194 8.523 -13.435 7.138 1.00 5.00 +ATOM 377 CA SER A 195 3.964 -15.106 7.520 1.00 5.00 +ATOM 378 CB SER A 195 3.794 -15.528 6.370 1.00 5.00 +ATOM 379 CA PRO A 196 1.705 -18.106 7.980 1.00 5.00 +ATOM 380 CB PRO A 196 1.313 -17.404 9.115 1.00 5.00 +ATOM 381 CA LEU A 197 0.571 -18.391 4.388 1.00 5.00 +ATOM 382 CB LEU A 197 -0.407 -17.762 2.667 1.00 5.00 +ATOM 383 CA SER A 198 4.174 -19.016 3.462 1.00 5.00 +ATOM 384 CB SER A 198 5.364 -18.282 3.543 1.00 5.00 +ATOM 385 CA LYS A 199 4.484 -22.423 1.542 1.00 5.00 +ATOM 386 CB LYS A 199 2.599 -24.341 0.136 1.00 5.00 +ATOM 387 CA VAL A 200 7.970 -23.031 2.950 1.00 5.00 +ATOM 388 CB VAL A 200 9.104 -21.979 2.959 1.00 5.00 +ATOM 389 CA PRO A 201 7.329 -22.770 6.961 1.00 5.00 +ATOM 390 CB PRO A 201 7.459 -24.192 6.734 1.00 5.00 +ATOM 391 CA PHE A 202 9.238 -19.753 8.288 1.00 5.00 +ATOM 392 CB PHE A 202 10.356 -17.633 6.631 1.00 5.00 +ATOM 393 CA GLY A 203 9.658 -21.376 11.414 1.00 5.00 +ATOM 394 CA THR A 204 12.177 -23.825 9.829 1.00 5.00 +ATOM 395 CB THR A 204 11.859 -23.934 8.437 1.00 5.00 +ATOM 396 CA CYS A 205 14.429 -20.675 9.026 1.00 5.00 +ATOM 397 CB CYS A 205 14.349 -19.278 9.024 1.00 5.00 +ATOM 398 CA GLN A 206 17.965 -21.505 9.638 1.00 5.00 +ATOM 399 CB GLN A 206 19.356 -23.724 10.630 1.00 5.00 +ATOM 400 CA HIS A 207 19.420 -18.323 8.499 1.00 5.00 +ATOM 401 CB HIS A 207 18.222 -16.355 7.113 1.00 5.00 +ATOM 402 CA PHE A 208 20.835 -16.516 11.425 1.00 5.00 +ATOM 403 CB PHE A 208 18.076 -15.504 11.308 1.00 5.00 +ATOM 404 CA LEU A 209 22.514 -19.802 12.064 1.00 5.00 +ATOM 405 CB LEU A 209 22.060 -20.886 13.655 1.00 5.00 +ATOM 406 CA VAL A 210 24.544 -19.473 8.800 1.00 5.00 +ATOM 407 CB VAL A 210 23.514 -19.943 7.770 1.00 5.00 +ATOM 408 CA ALA A 211 25.070 -15.562 9.301 1.00 5.00 +ATOM 409 CB ALA A 211 24.416 -15.251 8.986 1.00 5.00 +ATOM 410 CA ASN A 212 26.589 -16.132 12.865 1.00 5.00 +ATOM 411 CB ASN A 212 24.646 -16.134 13.349 1.00 5.00 +ATOM 412 CA ARG A 213 28.832 -18.988 11.415 1.00 5.00 +ATOM 413 CB ARG A 213 27.354 -22.033 12.423 1.00 5.00 +ATOM 414 CA TYR A 214 29.601 -16.636 8.565 1.00 5.00 +ATOM 415 CB TYR A 214 29.419 -14.014 6.520 1.00 5.00 +ATOM 416 CA LEU A 215 30.355 -13.732 10.800 1.00 5.00 +ATOM 417 CB LEU A 215 28.732 -12.998 11.381 1.00 5.00 +ATOM 418 CA GLU A 216 32.624 -16.182 12.874 1.00 5.00 +ATOM 419 CB GLU A 216 32.638 -17.832 15.003 1.00 5.00 +ATOM 420 CA THR A 217 34.649 -17.188 9.822 1.00 5.00 +ATOM 421 CB THR A 217 33.630 -17.310 8.747 1.00 5.00 +ATOM 422 CA ARG A 218 34.987 -13.548 8.444 1.00 5.00 +ATOM 423 CB ARG A 218 32.852 -11.071 7.831 1.00 5.00 +ATOM 424 CA SER A 219 36.667 -12.335 11.370 1.00 5.00 +ATOM 425 CB SER A 219 36.874 -11.071 10.993 1.00 5.00 +ATOM 426 CA ILE A 220 33.480 -11.091 13.204 1.00 5.00 +ATOM 427 CB ILE A 220 32.590 -9.607 12.463 1.00 5.00 +ATOM 428 CA SER A 221 31.557 -11.602 16.299 1.00 5.00 +ATOM 429 CB SER A 221 31.828 -10.738 17.132 1.00 5.00 +ATOM 430 CA PRO A 222 28.198 -13.155 16.681 1.00 5.00 +ATOM 431 CB PRO A 222 28.852 -13.728 17.815 1.00 5.00 +ATOM 432 CA ILE A 223 24.914 -11.056 16.975 1.00 5.00 +ATOM 433 CB ILE A 223 23.914 -11.733 15.581 1.00 5.00 +ATOM 434 CA ASP A 224 23.139 -12.482 19.924 1.00 5.00 +ATOM 435 CB ASP A 224 23.294 -13.714 21.648 1.00 5.00 +ATOM 436 CA TRP A 225 19.511 -12.977 18.265 1.00 5.00 +ATOM 437 CB TRP A 225 19.279 -11.229 14.899 1.00 5.00 +ATOM 438 CA SER A 226 18.204 -12.318 21.786 1.00 5.00 +ATOM 439 CB SER A 226 19.038 -11.785 22.608 1.00 5.00 +ATOM 440 CA VAL A 227 14.931 -10.166 22.010 1.00 5.00 +ATOM 441 CB VAL A 227 14.870 -8.887 21.292 1.00 5.00 TER TER -ATOM 442 CA THR C 1 0.322 -14.056 9.752 1.00 5.00 -ATOM 443 CB THR C 1 0.575 -12.545 9.688 1.00 5.00 -ATOM 444 CA ASN C 2 1.464 -16.519 12.469 1.00 5.00 -ATOM 445 CB ASN C 2 2.331 -18.241 13.107 1.00 5.00 -ATOM 446 CA LEU C 3 0.659 -14.592 15.374 1.00 5.00 -ATOM 447 CB LEU C 3 2.374 -13.823 16.457 1.00 5.00 -ATOM 448 CA SER C 4 -2.850 -14.346 14.207 1.00 5.00 -ATOM 449 CB SER C 4 -2.534 -13.280 13.601 1.00 5.00 -ATOM 450 CA ASP C 5 -3.235 -17.990 12.990 1.00 5.00 -ATOM 451 CB ASP C 5 -2.610 -17.658 11.088 1.00 5.00 -ATOM 452 CA ILE C 6 -2.486 -19.316 16.447 1.00 5.00 -ATOM 453 CB ILE C 6 -1.004 -18.818 16.902 1.00 5.00 -ATOM 454 CA ILE C 7 -5.345 -17.449 18.259 1.00 5.00 -ATOM 455 CB ILE C 7 -5.492 -15.598 17.791 1.00 5.00 -ATOM 456 CA GLU C 8 -7.545 -18.162 15.259 1.00 5.00 -ATOM 457 CB GLU C 8 -8.064 -19.032 12.680 1.00 5.00 -ATOM 458 CA LYS C 9 -6.901 -21.796 15.539 1.00 5.00 -ATOM 459 CB LYS C 9 -5.540 -24.434 15.029 1.00 5.00 -ATOM 460 CA GLU C 10 -6.611 -21.920 19.334 1.00 5.00 -ATOM 461 CB GLU C 10 -4.528 -22.714 20.124 1.00 5.00 -ATOM 462 CA THR C 11 -9.873 -20.754 20.366 1.00 5.00 -ATOM 463 CB THR C 11 -9.454 -19.264 20.347 1.00 5.00 -ATOM 464 CA GLY C 12 -12.280 -21.287 17.267 1.00 5.00 -ATOM 465 CA LYS C 13 -12.664 -17.714 16.467 1.00 5.00 -ATOM 466 CB LYS C 13 -15.132 -16.864 17.865 1.00 5.00 -ATOM 467 CA GLN C 14 -11.444 -15.187 13.670 1.00 5.00 -ATOM 468 CB GLN C 14 -13.675 -15.941 12.662 1.00 5.00 -ATOM 469 CA LEU C 15 -9.781 -12.530 15.923 1.00 5.00 -ATOM 470 CB LEU C 15 -9.975 -13.552 17.772 1.00 5.00 -ATOM 471 CA VAL C 16 -7.845 -9.122 15.328 1.00 5.00 -ATOM 472 CB VAL C 16 -8.902 -8.534 16.128 1.00 5.00 -ATOM 473 CA ILE C 17 -4.469 -8.249 17.155 1.00 5.00 -ATOM 474 CB ILE C 17 -3.603 -8.408 15.365 1.00 5.00 -ATOM 475 CA GLN C 18 -5.509 -4.819 18.411 1.00 5.00 -ATOM 476 CB GLN C 18 -7.563 -5.121 19.823 1.00 5.00 -ATOM 477 CA GLU C 19 -2.589 -3.895 20.369 1.00 5.00 -ATOM 478 CB GLU C 19 -4.116 -2.590 21.799 1.00 5.00 -ATOM 479 CA SER C 20 0.991 -5.480 21.000 1.00 5.00 -ATOM 480 CB SER C 20 1.707 -5.254 19.923 1.00 5.00 -ATOM 481 CA ILE C 21 1.553 -4.197 24.523 1.00 5.00 -ATOM 482 CB ILE C 21 0.691 -4.253 26.207 1.00 5.00 -ATOM 483 CA LEU C 22 5.230 -4.488 25.117 1.00 5.00 -ATOM 484 CB LEU C 22 7.129 -4.473 24.051 1.00 5.00 -ATOM 485 CA MET C 23 6.061 -6.297 28.714 1.00 5.00 -ATOM 486 CB MET C 23 4.381 -5.804 29.567 1.00 5.00 -ATOM 487 CA LEU C 24 9.113 -7.453 30.403 1.00 5.00 -ATOM 488 CB LEU C 24 9.865 -5.822 30.900 1.00 5.00 -ATOM 489 CA PRO C 25 9.260 -10.120 33.248 1.00 5.00 -ATOM 490 CB PRO C 25 10.270 -10.599 32.354 1.00 5.00 -ATOM 491 CA GLU C 26 8.187 -8.569 36.524 1.00 5.00 -ATOM 492 CB GLU C 26 9.608 -6.826 37.048 1.00 5.00 -ATOM 493 CA GLU C 27 4.927 -7.598 35.049 1.00 5.00 -ATOM 494 CB GLU C 27 5.684 -5.432 33.990 1.00 5.00 -ATOM 495 CA VAL C 28 4.157 -11.198 33.489 1.00 5.00 -ATOM 496 CB VAL C 28 3.938 -10.977 32.020 1.00 5.00 -ATOM 497 CA GLU C 29 5.107 -12.525 36.754 1.00 5.00 -ATOM 498 CB GLU C 29 6.875 -14.020 37.864 1.00 5.00 -ATOM 499 CA GLU C 30 2.226 -11.155 38.389 1.00 5.00 -ATOM 500 CB GLU C 30 3.783 -10.197 40.068 1.00 5.00 -ATOM 501 CA VAL C 31 -0.345 -12.095 35.807 1.00 5.00 -ATOM 502 CB VAL C 31 -0.232 -11.129 34.619 1.00 5.00 -ATOM 503 CA ILE C 32 0.562 -15.590 34.881 1.00 5.00 -ATOM 504 CB ILE C 32 1.704 -15.714 33.463 1.00 5.00 -ATOM 505 CA GLY C 33 1.747 -17.488 37.899 1.00 5.00 -ATOM 506 CA ASN C 34 5.293 -17.917 36.439 1.00 5.00 -ATOM 507 CB ASN C 34 4.812 -19.339 35.060 1.00 5.00 -ATOM 508 CA LYS C 35 8.218 -16.076 35.243 1.00 5.00 -ATOM 509 CB LYS C 35 11.050 -14.805 35.659 1.00 5.00 -ATOM 510 CA PRO C 36 8.656 -16.012 31.318 1.00 5.00 -ATOM 511 CB PRO C 36 7.513 -15.065 31.627 1.00 5.00 -ATOM 512 CA GLU C 37 12.337 -15.695 31.198 1.00 5.00 -ATOM 513 CB GLU C 37 14.279 -15.522 32.690 1.00 5.00 -ATOM 514 CA SER C 38 12.577 -13.237 28.447 1.00 5.00 -ATOM 515 CB SER C 38 12.014 -13.510 27.239 1.00 5.00 -ATOM 516 CA ASP C 39 10.679 -9.972 27.660 1.00 5.00 -ATOM 517 CB ASP C 39 12.670 -9.343 27.459 1.00 5.00 -ATOM 518 CA ILE C 40 7.174 -10.424 26.028 1.00 5.00 -ATOM 519 CB ILE C 40 6.109 -11.720 26.916 1.00 5.00 -ATOM 520 CA LEU C 41 4.877 -8.918 23.542 1.00 5.00 -ATOM 521 CB LEU C 41 5.262 -7.989 21.730 1.00 5.00 -ATOM 522 CA VAL C 42 1.217 -9.188 24.992 1.00 5.00 -ATOM 523 CB VAL C 42 0.835 -8.993 26.382 1.00 5.00 -ATOM 524 CA HIS C 43 -0.508 -9.123 21.785 1.00 5.00 -ATOM 525 CB HIS C 43 -0.937 -11.016 19.779 1.00 5.00 -ATOM 526 CA THR C 44 -4.269 -8.737 22.424 1.00 5.00 -ATOM 527 CB THR C 44 -5.146 -7.822 23.237 1.00 5.00 -ATOM 528 CA ALA C 45 -7.266 -9.593 20.280 1.00 5.00 -ATOM 529 CB ALA C 45 -7.198 -10.009 19.646 1.00 5.00 -ATOM 530 CA TYR C 46 -10.853 -8.662 21.124 1.00 5.00 -ATOM 531 CB TYR C 46 -12.722 -6.546 23.090 1.00 5.00 -ATOM 532 CA ASP C 47 -14.357 -10.238 20.055 1.00 5.00 -ATOM 533 CB ASP C 47 -15.845 -11.450 19.428 1.00 5.00 -ATOM 534 CA GLU C 48 -17.210 -7.912 21.032 1.00 5.00 -ATOM 535 CB GLU C 48 -16.590 -5.173 21.118 1.00 5.00 -ATOM 536 CA SER C 49 -20.012 -10.663 20.886 1.00 5.00 -ATOM 537 CB SER C 49 -20.472 -11.615 20.021 1.00 5.00 -ATOM 538 CA THR C 50 -17.983 -13.031 23.257 1.00 5.00 -ATOM 539 CB THR C 50 -16.835 -13.673 22.670 1.00 5.00 -ATOM 540 CA ASP C 51 -17.112 -9.882 24.947 1.00 5.00 -ATOM 541 CB ASP C 51 -17.937 -9.501 26.708 1.00 5.00 -ATOM 542 CA GLU C 52 -13.508 -10.778 25.627 1.00 5.00 -ATOM 543 CB GLU C 52 -12.094 -11.430 23.574 1.00 5.00 -ATOM 544 CA ASN C 53 -9.928 -9.634 26.149 1.00 5.00 -ATOM 545 CB ASN C 53 -9.161 -7.942 27.088 1.00 5.00 -ATOM 546 CA VAL C 54 -7.595 -12.448 24.288 1.00 5.00 -ATOM 547 CB VAL C 54 -7.239 -13.453 23.230 1.00 5.00 -ATOM 548 CA MET C 55 -3.945 -11.766 25.309 1.00 5.00 -ATOM 549 CB MET C 55 -3.552 -9.532 26.603 1.00 5.00 -ATOM 550 CA LEU C 56 -1.584 -13.705 23.103 1.00 5.00 -ATOM 551 CB LEU C 56 -1.380 -14.799 21.375 1.00 5.00 -ATOM 552 CA LEU C 57 1.342 -13.316 25.534 1.00 5.00 -ATOM 553 CB LEU C 57 0.588 -13.341 27.322 1.00 5.00 -ATOM 554 CA THR C 58 4.378 -13.745 23.211 1.00 5.00 -ATOM 555 CB THR C 58 4.688 -12.869 21.991 1.00 5.00 -ATOM 556 CA SER C 59 8.222 -13.938 23.272 1.00 5.00 -ATOM 557 CB SER C 59 8.459 -15.113 22.708 1.00 5.00 -ATOM 558 CA ASP C 60 9.621 -10.550 21.992 1.00 5.00 -ATOM 559 CB ASP C 60 10.377 -8.755 22.266 1.00 5.00 -ATOM 560 CA ALA C 61 10.520 -9.159 18.561 1.00 5.00 -ATOM 561 CB ALA C 61 10.651 -8.420 18.546 1.00 5.00 -ATOM 562 CA PRO C 62 12.519 -11.007 16.221 1.00 5.00 -ATOM 563 CB PRO C 62 13.787 -10.434 16.583 1.00 5.00 -ATOM 564 CA GLU C 63 11.766 -14.439 17.772 1.00 5.00 -ATOM 565 CB GLU C 63 12.409 -15.333 20.000 1.00 5.00 -ATOM 566 CA TYR C 64 7.903 -13.538 18.020 1.00 5.00 -ATOM 567 CB TYR C 64 8.305 -10.839 15.963 1.00 5.00 -ATOM 568 CA LYS C 65 7.219 -17.109 19.475 1.00 5.00 -ATOM 569 CB LYS C 65 8.816 -18.927 20.841 1.00 5.00 -ATOM 570 CA PRO C 66 3.963 -18.221 21.305 1.00 5.00 -ATOM 571 CB PRO C 66 3.944 -19.224 20.290 1.00 5.00 -ATOM 572 CA TRP C 67 4.343 -18.611 25.034 1.00 5.00 -ATOM 573 CB TRP C 67 7.784 -18.890 25.084 1.00 5.00 -ATOM 574 CA ALA C 68 0.744 -17.981 26.769 1.00 5.00 -ATOM 575 CB ALA C 68 1.203 -17.601 27.322 1.00 5.00 -ATOM 576 CA LEU C 69 -2.835 -17.267 25.766 1.00 5.00 -ATOM 577 CB LEU C 69 -4.209 -17.743 24.330 1.00 5.00 -ATOM 578 CA VAL C 70 -5.023 -15.317 28.316 1.00 5.00 -ATOM 579 CB VAL C 70 -4.671 -13.941 28.826 1.00 5.00 -ATOM 580 CA ILE C 71 -8.725 -16.014 27.028 1.00 5.00 -ATOM 581 CB ILE C 71 -8.701 -17.783 26.275 1.00 5.00 -ATOM 582 CA GLN C 72 -9.822 -12.874 29.134 1.00 5.00 -ATOM 583 CB GLN C 72 -8.062 -11.185 28.746 1.00 5.00 -ATOM 584 CA ASP C 73 -13.591 -12.493 30.015 1.00 5.00 -ATOM 585 CB ASP C 73 -15.268 -13.731 30.256 1.00 5.00 -ATOM 586 CA SER C 74 -16.176 -9.722 31.316 1.00 5.00 -ATOM 587 CB SER C 74 -17.503 -9.310 31.338 1.00 5.00 -ATOM 588 CA ASN C 75 -15.756 -9.557 35.051 1.00 5.00 -ATOM 589 CB ASN C 75 -17.040 -10.722 36.069 1.00 5.00 -ATOM 590 CA GLY C 76 -12.022 -10.058 34.905 1.00 5.00 -ATOM 591 CA GLU C 77 -11.944 -14.085 34.913 1.00 5.00 -ATOM 592 CB GLU C 77 -13.619 -16.319 35.469 1.00 5.00 -ATOM 593 CA ASN C 78 -8.806 -14.838 32.859 1.00 5.00 -ATOM 594 CB ASN C 78 -7.565 -13.493 32.364 1.00 5.00 -ATOM 595 CA LYS C 79 -8.502 -18.312 31.531 1.00 5.00 -ATOM 596 CB LYS C 79 -10.424 -19.869 30.235 1.00 5.00 -ATOM 597 CA ILE C 80 -4.582 -18.288 31.096 1.00 5.00 -ATOM 598 CB ILE C 80 -3.871 -16.962 32.253 1.00 5.00 -ATOM 599 CA LYS C 81 -3.365 -21.231 28.855 1.00 5.00 -ATOM 600 CB LYS C 81 -5.518 -22.146 27.526 1.00 5.00 -ATOM 601 CA MET C 82 0.362 -22.004 28.596 1.00 5.00 -ATOM 602 CB MET C 82 2.332 -21.170 29.767 1.00 5.00 -ATOM 603 CA LEU C 83 0.854 -23.017 24.840 1.00 5.00 -ATOM 604 CB LEU C 83 0.310 -21.296 24.089 1.00 5.00 +ATOM 442 CA THR C 1 12.912 12.559 -14.223 1.00 5.00 +ATOM 443 CB THR C 1 11.918 11.605 -14.682 1.00 5.00 +ATOM 444 CA ASN C 2 15.620 13.150 -16.439 1.00 5.00 +ATOM 445 CB ASN C 2 17.184 12.616 -15.274 1.00 5.00 +ATOM 446 CA LEU C 3 16.122 9.412 -16.911 1.00 5.00 +ATOM 447 CB LEU C 3 17.950 8.508 -16.484 1.00 5.00 +ATOM 448 CA SER C 4 12.729 9.083 -18.307 1.00 5.00 +ATOM 449 CB SER C 4 11.595 8.438 -18.236 1.00 5.00 +ATOM 450 CA ASP C 5 13.563 11.827 -21.046 1.00 5.00 +ATOM 451 CB ASP C 5 14.447 12.745 -19.459 1.00 5.00 +ATOM 452 CA ILE C 6 16.229 9.080 -22.102 1.00 5.00 +ATOM 453 CB ILE C 6 17.327 7.710 -21.236 1.00 5.00 +ATOM 454 CA ILE C 7 13.070 6.848 -22.527 1.00 5.00 +ATOM 455 CB ILE C 7 12.488 5.453 -21.347 1.00 5.00 +ATOM 456 CA GLU C 8 11.388 9.446 -24.466 1.00 5.00 +ATOM 457 CB GLU C 8 10.296 11.292 -24.486 1.00 5.00 +ATOM 458 CA LYS C 9 14.440 9.392 -26.690 1.00 5.00 +ATOM 459 CB LYS C 9 16.825 11.389 -26.841 1.00 5.00 +ATOM 460 CA GLU C 10 15.059 5.754 -27.465 1.00 5.00 +ATOM 461 CB GLU C 10 16.029 3.827 -28.773 1.00 5.00 +ATOM 462 CA THR C 11 11.574 4.520 -26.738 1.00 5.00 +ATOM 463 CB THR C 11 10.918 4.134 -25.519 1.00 5.00 +ATOM 464 CA GLY C 12 9.312 7.225 -28.199 1.00 5.00 +ATOM 465 CA LYS C 13 6.887 6.129 -25.512 1.00 5.00 +ATOM 466 CB LYS C 13 4.326 4.484 -25.010 1.00 5.00 +ATOM 467 CA GLN C 14 7.223 8.638 -22.500 1.00 5.00 +ATOM 468 CB GLN C 14 4.825 9.095 -23.659 1.00 5.00 +ATOM 469 CA LEU C 15 6.916 6.305 -19.380 1.00 5.00 +ATOM 470 CB LEU C 15 7.040 4.878 -20.777 1.00 5.00 +ATOM 471 CA VAL C 16 6.324 6.795 -15.563 1.00 5.00 +ATOM 472 CB VAL C 16 5.130 6.326 -14.668 1.00 5.00 +ATOM 473 CA ILE C 17 9.723 5.415 -14.090 1.00 5.00 +ATOM 474 CB ILE C 17 11.378 6.522 -13.914 1.00 5.00 +ATOM 475 CA GLN C 18 8.317 3.451 -11.092 1.00 5.00 +ATOM 476 CB GLN C 18 6.264 5.043 -10.109 1.00 5.00 +ATOM 477 CA GLU C 19 10.400 1.657 -8.537 1.00 5.00 +ATOM 478 CB GLU C 19 9.538 -0.567 -9.255 1.00 5.00 +ATOM 479 CA SER C 20 13.976 2.419 -8.869 1.00 5.00 +ATOM 480 CB SER C 20 13.648 3.358 -8.082 1.00 5.00 +ATOM 481 CA ILE C 21 15.839 -0.830 -7.573 1.00 5.00 +ATOM 482 CB ILE C 21 14.989 -2.565 -8.169 1.00 5.00 +ATOM 483 CA LEU C 22 19.471 -1.316 -6.296 1.00 5.00 +ATOM 484 CB LEU C 22 20.815 -1.241 -4.621 1.00 5.00 +ATOM 485 CA MET C 23 21.195 -4.012 -8.258 1.00 5.00 +ATOM 486 CB MET C 23 19.667 -5.381 -9.552 1.00 5.00 +ATOM 487 CA LEU C 24 25.073 -4.470 -7.528 1.00 5.00 +ATOM 488 CB LEU C 24 25.001 -3.812 -5.812 1.00 5.00 +ATOM 489 CA PRO C 25 27.148 -6.072 -10.356 1.00 5.00 +ATOM 490 CB PRO C 25 27.811 -4.816 -10.186 1.00 5.00 +ATOM 491 CA GLU C 26 26.510 -9.647 -9.667 1.00 5.00 +ATOM 492 CB GLU C 26 28.059 -11.167 -9.508 1.00 5.00 +ATOM 493 CA GLU C 27 22.723 -9.514 -9.947 1.00 5.00 +ATOM 494 CB GLU C 27 20.782 -10.438 -8.796 1.00 5.00 +ATOM 495 CA VAL C 28 22.742 -7.180 -12.973 1.00 5.00 +ATOM 496 CB VAL C 28 22.123 -5.764 -13.142 1.00 5.00 +ATOM 497 CA GLU C 29 25.649 -8.926 -14.593 1.00 5.00 +ATOM 498 CB GLU C 29 27.391 -10.552 -15.358 1.00 5.00 +ATOM 499 CA GLU C 30 23.983 -12.206 -14.765 1.00 5.00 +ATOM 500 CB GLU C 30 22.541 -14.131 -13.967 1.00 5.00 +ATOM 501 CA VAL C 31 20.953 -10.465 -16.198 1.00 5.00 +ATOM 502 CB VAL C 31 19.891 -9.633 -15.974 1.00 5.00 +ATOM 503 CA ILE C 32 22.467 -8.349 -18.847 1.00 5.00 +ATOM 504 CB ILE C 32 22.834 -6.545 -18.206 1.00 5.00 +ATOM 505 CA GLY C 33 25.272 -10.544 -20.146 1.00 5.00 +ATOM 506 CA ASN C 34 28.140 -7.838 -19.232 1.00 5.00 +ATOM 507 CB ASN C 34 28.393 -6.405 -20.709 1.00 5.00 +ATOM 508 CA LYS C 35 29.866 -6.373 -16.147 1.00 5.00 +ATOM 509 CB LYS C 35 32.748 -6.369 -14.968 1.00 5.00 +ATOM 510 CA PRO C 36 29.189 -2.618 -15.232 1.00 5.00 +ATOM 511 CB PRO C 36 27.833 -2.868 -15.551 1.00 5.00 +ATOM 512 CA GLU C 37 31.518 -2.549 -12.262 1.00 5.00 +ATOM 513 CB GLU C 37 33.139 -1.242 -10.997 1.00 5.00 +ATOM 514 CA SER C 38 29.263 -0.525 -10.002 1.00 5.00 +ATOM 515 CB SER C 38 28.410 0.320 -10.382 1.00 5.00 +ATOM 516 CA ASP C 39 25.782 -0.388 -7.928 1.00 5.00 +ATOM 517 CB ASP C 39 26.619 -0.138 -6.081 1.00 5.00 +ATOM 518 CA ILE C 40 23.090 -0.114 -10.598 1.00 5.00 +ATOM 519 CB ILE C 40 23.309 -0.449 -12.510 1.00 5.00 +ATOM 520 CA LEU C 41 19.666 1.109 -10.268 1.00 5.00 +ATOM 521 CB LEU C 41 19.219 2.932 -9.386 1.00 5.00 +ATOM 522 CA VAL C 42 17.274 -0.561 -12.450 1.00 5.00 +ATOM 523 CB VAL C 42 17.304 -2.036 -12.683 1.00 5.00 +ATOM 524 CA HIS C 43 15.020 2.238 -13.009 1.00 5.00 +ATOM 525 CB HIS C 43 15.207 4.730 -11.969 1.00 5.00 +ATOM 526 CA THR C 44 11.752 0.682 -13.995 1.00 5.00 +ATOM 527 CB THR C 44 12.036 -0.270 -12.933 1.00 5.00 +ATOM 528 CA ALA C 45 8.909 1.418 -16.214 1.00 5.00 +ATOM 529 CB ALA C 45 8.973 1.799 -16.920 1.00 5.00 +ATOM 530 CA TYR C 46 5.752 -0.594 -17.481 1.00 5.00 +ATOM 531 CB TYR C 46 5.227 -2.054 -14.479 1.00 5.00 +ATOM 532 CA ASP C 47 4.444 0.440 -21.072 1.00 5.00 +ATOM 533 CB ASP C 47 5.785 0.170 -22.433 1.00 5.00 +ATOM 534 CA GLU C 48 0.721 -1.181 -20.601 1.00 5.00 +ATOM 535 CB GLU C 48 -1.259 -1.052 -19.324 1.00 5.00 +ATOM 536 CA SER C 49 0.267 -0.992 -24.471 1.00 5.00 +ATOM 537 CB SER C 49 0.823 -0.183 -25.438 1.00 5.00 +ATOM 538 CA THR C 50 3.150 -3.283 -25.418 1.00 5.00 +ATOM 539 CB THR C 50 4.386 -2.714 -25.877 1.00 5.00 +ATOM 540 CA ASP C 51 2.772 -5.181 -22.307 1.00 5.00 +ATOM 541 CB ASP C 51 1.790 -6.069 -20.688 1.00 5.00 +ATOM 542 CA GLU C 52 6.491 -3.720 -21.962 1.00 5.00 +ATOM 543 CB GLU C 52 8.270 -3.399 -23.465 1.00 5.00 +ATOM 544 CA ASN C 53 8.386 -3.912 -18.767 1.00 5.00 +ATOM 545 CB ASN C 53 8.164 -5.059 -17.107 1.00 5.00 +ATOM 546 CA VAL C 54 10.982 -1.642 -19.565 1.00 5.00 +ATOM 547 CB VAL C 54 10.370 -0.597 -20.453 1.00 5.00 +ATOM 548 CA MET C 55 14.313 -1.536 -17.518 1.00 5.00 +ATOM 549 CB MET C 55 14.621 -3.687 -17.264 1.00 5.00 +ATOM 550 CA LEU C 56 16.464 1.702 -17.705 1.00 5.00 +ATOM 551 CB LEU C 56 15.823 3.758 -17.899 1.00 5.00 +ATOM 552 CA LEU C 57 19.401 0.554 -15.835 1.00 5.00 +ATOM 553 CB LEU C 57 19.614 -1.347 -16.448 1.00 5.00 +ATOM 554 CA THR C 58 21.087 3.645 -14.277 1.00 5.00 +ATOM 555 CB THR C 58 20.197 4.621 -13.686 1.00 5.00 +ATOM 556 CA SER C 59 24.273 3.966 -12.541 1.00 5.00 +ATOM 557 CB SER C 59 25.379 3.805 -13.282 1.00 5.00 +ATOM 558 CA ASP C 60 24.951 4.875 -8.946 1.00 5.00 +ATOM 559 CB ASP C 60 26.573 3.638 -8.932 1.00 5.00 +ATOM 560 CA ALA C 61 23.026 7.938 -7.231 1.00 5.00 +ATOM 561 CB ALA C 61 22.493 8.014 -6.691 1.00 5.00 +ATOM 562 CA PRO C 62 25.121 10.995 -7.734 1.00 5.00 +ATOM 563 CB PRO C 62 25.756 10.514 -6.504 1.00 5.00 +ATOM 564 CA GLU C 63 26.357 9.601 -10.943 1.00 5.00 +ATOM 565 CB GLU C 63 27.917 7.854 -11.673 1.00 5.00 +ATOM 566 CA TYR C 64 23.047 9.188 -12.748 1.00 5.00 +ATOM 567 CB TYR C 64 19.670 9.656 -12.348 1.00 5.00 +ATOM 568 CA LYS C 65 24.514 7.387 -15.893 1.00 5.00 +ATOM 569 CB LYS C 65 26.574 5.646 -16.619 1.00 5.00 +ATOM 570 CA PRO C 66 22.456 5.432 -18.443 1.00 5.00 +ATOM 571 CB PRO C 66 22.545 6.562 -19.316 1.00 5.00 +ATOM 572 CA TRP C 67 24.094 1.947 -18.533 1.00 5.00 +ATOM 573 CB TRP C 67 27.390 0.379 -18.326 1.00 5.00 +ATOM 574 CA ALA C 68 21.311 -0.031 -20.027 1.00 5.00 +ATOM 575 CB ALA C 68 21.258 -0.790 -20.109 1.00 5.00 +ATOM 576 CA LEU C 69 17.844 0.164 -21.586 1.00 5.00 +ATOM 577 CB LEU C 69 16.596 1.669 -22.147 1.00 5.00 +ATOM 578 CA VAL C 70 16.795 -3.592 -21.095 1.00 5.00 +ATOM 579 CB VAL C 70 17.485 -4.600 -20.302 1.00 5.00 +ATOM 580 CA ILE C 71 13.085 -4.380 -22.147 1.00 5.00 +ATOM 581 CB ILE C 71 12.851 -3.788 -23.610 1.00 5.00 +ATOM 582 CA GLN C 72 10.820 -6.991 -20.784 1.00 5.00 +ATOM 583 CB GLN C 72 11.485 -7.357 -18.132 1.00 5.00 +ATOM 584 CA ASP C 73 8.195 -7.794 -23.728 1.00 5.00 +ATOM 585 CB ASP C 73 8.616 -8.724 -25.563 1.00 5.00 +ATOM 586 CA SER C 74 5.089 -9.985 -22.518 1.00 5.00 +ATOM 587 CB SER C 74 3.847 -9.854 -22.846 1.00 5.00 +ATOM 588 CA ASN C 75 6.811 -13.438 -22.983 1.00 5.00 +ATOM 589 CB ASN C 75 8.280 -13.965 -24.311 1.00 5.00 +ATOM 590 CA GLY C 76 9.959 -12.840 -20.791 1.00 5.00 +ATOM 591 CA GLU C 77 11.972 -11.931 -23.929 1.00 5.00 +ATOM 592 CB GLU C 77 11.333 -12.367 -26.316 1.00 5.00 +ATOM 593 CA ASN C 78 14.512 -9.734 -22.400 1.00 5.00 +ATOM 594 CB ASN C 78 15.315 -8.951 -20.748 1.00 5.00 +ATOM 595 CA LYS C 79 15.172 -7.016 -25.230 1.00 5.00 +ATOM 596 CB LYS C 79 14.632 -6.798 -27.996 1.00 5.00 +ATOM 597 CA ILE C 80 18.441 -5.331 -24.635 1.00 5.00 +ATOM 598 CB ILE C 80 19.881 -6.168 -23.689 1.00 5.00 +ATOM 599 CA LYS C 81 20.517 -2.241 -25.920 1.00 5.00 +ATOM 600 CB LYS C 81 19.604 -0.736 -28.505 1.00 5.00 +ATOM 601 CA MET C 82 23.495 -1.394 -23.578 1.00 5.00 +ATOM 602 CB MET C 82 24.779 -2.594 -21.811 1.00 5.00 +ATOM 603 CA LEU C 83 23.559 2.362 -24.366 1.00 5.00 +ATOM 604 CB LEU C 83 22.197 2.988 -22.995 1.00 5.00 TER CONECT 1 3 2 CONECT 3 5 4