X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMultichain%2F1DKZ%2Fene%2Foutputs%2F1DKZ-gab-ene_GB000.pdb;fp=examples%2Funres%2FMultichain%2F1DKZ%2Fene%2Foutputs%2F1DKZ-gab-ene_GB000.pdb;h=e5bd8d0f9596ccd1eab5d258133396ba62e6bffb;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/Multichain/1DKZ/ene/outputs/1DKZ-gab-ene_GB000.pdb b/examples/unres/Multichain/1DKZ/ene/outputs/1DKZ-gab-ene_GB000.pdb new file mode 100644 index 0000000..e5bd8d0 --- /dev/null +++ b/examples/unres/Multichain/1DKZ/ene/outputs/1DKZ-gab-ene_GB000.pdb @@ -0,0 +1,676 @@ +REMARK 2xAla10 ENERGY 4.24794E+04 +HELIX 1 H1 GLU 121 ALA 135 1 14 +HELIX 2 H2 GLU 136 GLY 166 1 30 +HELIX 3 H3 ALA 171 GLY 190 1 19 +HELIX 4 H4 LYS 193 GLN 208 1 15 +HELIX 5 H5 LYS 209 GLN 215 1 6 +SHEET 1 B1 2 PRO 8 SER 10 0 +SHEET 2 B1 2 ALA 25 ASN 27 -1 N ASN 27 O PRO 8 +SHEET 1 B2 2 SER 10 ILE 13 0 +SHEET 2 B2 2 VAL 52 GLY 55 -1 N GLY 55 O SER 10 +SHEET 1 B3 2 LEU 11 GLU 14 0 +SHEET 2 B3 2 MET 20 LEU 23 -1 N LEU 23 O LEU 11 +SHEET 1 B4 2 PRO 31 PHE 38 0 +SHEET 2 B4 2 ILE 84 ASP 91 -1 N ASP 91 O PRO 31 +SHEET 1 B5 2 SER 46 HIS 51 0 +SHEET 2 B5 2 GLN 68 GLY 73 -1 N GLY 73 O SER 46 +SHEET 1 B6 2 VAL 52 GLN 54 0 +SHEET 2 B6 2 LYS 64 LEU 66 -1 N LEU 66 O VAL 52 +SHEET 1 B7 2 GLN 83 ASP 89 0 +SHEET 2 B7 2 HIS 97 LYS 103 -1 N LYS 103 O GLN 83 +SHEET 1 B8 2 ILE 95 LYS 101 0 +SHEET 2 B8 2 GLU 108 LYS 114 -1 N LYS 114 O ILE 95 +ATOM 1 CA VAL A 1 3.805 0.000 0.000 0.000 +ATOM 2 CB VAL A 1 3.123 0.226 -0.223 0.000 +ATOM 3 CA LEU A 2 3.772 -3.802 0.000 0.000 +ATOM 4 CB LEU A 2 3.026 -5.612 -0.878 0.000 +ATOM 5 CA LEU A 3 7.576 -3.802 0.000 0.000 +ATOM 6 CB LEU A 3 7.863 -4.274 -0.522 0.000 +ATOM 7 CA LEU A 4 10.503 -1.404 0.483 0.000 +ATOM 8 CB LEU A 4 9.962 -0.051 2.049 0.000 +ATOM 9 CA ASP A 5 13.963 -1.379 -1.107 0.000 +ATOM 10 CB ASP A 5 13.592 -1.130 -3.039 0.000 +ATOM 11 CA VAL A 6 16.312 -1.032 1.862 0.000 +ATOM 12 CB VAL A 6 15.469 -1.499 2.965 0.000 +ATOM 13 CA THR A 7 20.010 -1.125 2.703 0.000 +ATOM 14 CB THR A 7 20.575 0.221 2.855 0.000 +ATOM 15 CA PRO A 8 20.584 -4.262 4.788 0.000 +ATOM 16 CB PRO A 8 21.033 -4.714 3.538 0.000 +ATOM 17 CA LEU A 9 23.798 -2.975 6.416 0.000 +ATOM 18 CB LEU A 9 24.862 -4.805 6.548 0.000 +ATOM 19 CA SER A 10 25.427 0.394 7.092 0.000 +ATOM 20 CB SER A 10 25.457 0.698 8.328 0.000 +ATOM 21 CA LEU A 11 27.590 2.010 4.374 0.000 +ATOM 22 CB LEU A 11 26.608 1.430 2.608 0.000 +ATOM 23 CA GLY A 12 30.467 4.371 5.135 0.000 +ATOM 24 CA ILE A 13 34.203 4.967 4.985 0.000 +ATOM 25 CB ILE A 13 34.447 6.766 4.365 0.000 +ATOM 26 CA GLU A 14 37.317 4.357 6.988 0.000 +ATOM 27 CB GLU A 14 39.589 2.816 7.214 0.000 +ATOM 28 CA THR A 15 38.502 7.306 9.071 0.000 +ATOM 29 CB THR A 15 37.306 7.944 9.585 0.000 +ATOM 30 CA MET A 16 41.670 7.885 11.142 0.000 +ATOM 31 CB MET A 16 42.977 9.727 12.291 0.000 +ATOM 32 CA GLY A 17 42.127 5.214 13.792 0.000 +ATOM 33 CA GLY A 18 40.866 2.455 11.494 0.000 +ATOM 34 CA VAL A 19 37.251 3.028 12.483 0.000 +ATOM 35 CB VAL A 19 36.698 4.073 13.352 0.000 +ATOM 36 CA MET A 20 34.234 2.781 10.194 0.000 +ATOM 37 CB MET A 20 32.173 1.548 9.015 0.000 +ATOM 38 CA THR A 21 32.360 6.038 9.859 0.000 +ATOM 39 CB THR A 21 32.906 7.376 9.990 0.000 +ATOM 40 CA THR A 22 28.817 5.556 8.582 0.000 +ATOM 41 CB THR A 22 27.763 4.763 9.189 0.000 +ATOM 42 CA LEU A 23 27.444 7.716 5.777 0.000 +ATOM 43 CB LEU A 23 28.872 8.579 4.855 0.000 +ATOM 44 CA ILE A 24 24.215 5.730 5.174 0.000 +ATOM 45 CB ILE A 24 23.646 5.776 3.335 0.000 +ATOM 46 CA ALA A 25 22.651 3.855 8.087 0.000 +ATOM 47 CB ALA A 25 22.252 4.195 8.632 0.000 +ATOM 48 CA LYS A 26 21.324 0.312 8.134 0.000 +ATOM 49 CB LYS A 26 20.795 -2.053 9.993 0.000 +ATOM 50 CA ASN A 27 17.741 -0.157 6.947 0.000 +ATOM 51 CB ASN A 27 17.339 -1.604 8.199 0.000 +ATOM 52 CA THR A 28 17.631 3.081 5.023 0.000 +ATOM 53 CB THR A 28 18.588 4.187 5.013 0.000 +ATOM 54 CA THR A 29 15.232 3.040 2.091 0.000 +ATOM 55 CB THR A 29 13.922 3.474 2.509 0.000 +ATOM 56 CA ILE A 30 16.691 3.890 -1.312 0.000 +ATOM 57 CB ILE A 30 17.856 2.453 -1.869 0.000 +ATOM 58 CA PRO A 31 17.130 6.029 -3.340 0.000 +ATOM 59 CB PRO A 31 16.087 6.377 -4.199 0.000 +ATOM 60 CA THR A 32 19.062 8.080 -0.785 0.000 +ATOM 61 CB THR A 32 19.418 7.428 0.470 0.000 +ATOM 62 CA LYS A 33 21.925 10.600 -0.831 0.000 +ATOM 63 CB LYS A 33 22.815 12.923 -2.903 0.000 +ATOM 64 CA HIS A 34 23.986 11.576 2.222 0.000 +ATOM 65 CB HIS A 34 22.191 10.211 3.797 0.000 +ATOM 66 CA SER A 35 27.196 13.582 2.597 0.000 +ATOM 67 CB SER A 35 27.022 14.245 1.548 0.000 +ATOM 68 CA GLN A 36 29.760 14.574 5.222 0.000 +ATOM 69 CB GLN A 36 30.253 13.267 7.624 0.000 +ATOM 70 CA VAL A 37 32.947 16.652 5.104 0.000 +ATOM 71 CB VAL A 37 33.053 18.086 4.829 0.000 +ATOM 72 CA PHE A 38 36.237 15.136 6.242 0.000 +ATOM 73 CB PHE A 38 34.777 12.588 6.217 0.000 +ATOM 74 CA SER A 39 39.797 16.443 6.309 0.000 +ATOM 75 CB SER A 39 40.227 17.496 6.874 0.000 +ATOM 76 CA THR A 40 43.437 15.391 6.209 0.000 +ATOM 77 CB THR A 40 44.156 16.335 5.395 0.000 +ATOM 78 CA ALA A 41 45.142 13.606 9.097 0.000 +ATOM 79 CB ALA A 41 45.182 12.844 9.156 0.000 +ATOM 80 CA GLU A 42 48.608 15.065 8.373 0.000 +ATOM 81 CB GLU A 42 49.104 14.545 8.098 0.000 +ATOM 82 CA ASP A 43 50.115 18.483 7.563 0.000 +ATOM 83 CB ASP A 43 50.630 19.409 9.256 0.000 +ATOM 84 CA ASN A 44 50.741 19.041 3.857 0.000 +ATOM 85 CB ASN A 44 52.402 19.405 2.791 0.000 +ATOM 86 CA GLN A 45 48.850 15.820 3.004 0.000 +ATOM 87 CB GLN A 45 47.085 13.892 4.074 0.000 +ATOM 88 CA SER A 46 48.363 15.750 -0.767 0.000 +ATOM 89 CB SER A 46 49.311 15.242 -1.436 0.000 +ATOM 90 CA ALA A 47 45.765 12.990 -1.041 0.000 +ATOM 91 CB ALA A 47 46.032 12.471 -1.546 0.000 +ATOM 92 CA VAL A 48 43.128 11.101 0.938 0.000 +ATOM 93 CB VAL A 48 42.068 12.086 1.259 0.000 +ATOM 94 CA SER A 49 42.150 7.465 0.431 0.000 +ATOM 95 CB SER A 49 43.204 6.792 0.580 0.000 +ATOM 96 CA ILE A 50 38.417 6.706 0.430 0.000 +ATOM 97 CB ILE A 50 37.408 7.969 0.000 0.000 +ATOM 98 CA HIS A 51 37.893 3.134 1.580 0.000 +ATOM 99 CB HIS A 51 38.633 0.715 2.660 0.000 +ATOM 100 CA VAL A 52 34.207 2.256 1.155 0.000 +ATOM 101 CB VAL A 52 33.358 2.568 0.009 0.000 +ATOM 102 CA LEU A 53 32.796 -0.117 3.765 0.000 +ATOM 103 CB LEU A 53 34.385 0.177 5.223 0.000 +ATOM 104 CA GLN A 54 29.608 -2.131 4.297 0.000 +ATOM 105 CB GLN A 54 27.875 -3.762 2.792 0.000 +ATOM 106 CA GLY A 55 28.849 -3.516 7.756 0.000 +ATOM 107 CA GLU A 56 27.912 -2.861 11.390 0.000 +ATOM 108 CB GLU A 56 25.799 -2.643 11.140 0.000 +ATOM 109 CA ARG A 57 31.332 -3.180 13.036 0.000 +ATOM 110 CB ARG A 57 32.279 -5.859 14.087 0.000 +ATOM 111 CA LYS A 58 33.229 -0.260 14.586 0.000 +ATOM 112 CB LYS A 58 31.319 0.250 15.851 0.000 +ATOM 113 CA ARG A 59 36.558 -1.526 13.288 0.000 +ATOM 114 CB ARG A 59 39.110 -3.239 15.212 0.000 +ATOM 115 CA ALA A 60 36.805 -0.793 9.564 0.000 +ATOM 116 CB ALA A 60 37.242 -0.248 9.253 0.000 +ATOM 117 CA ALA A 61 38.740 -4.051 9.062 0.000 +ATOM 118 CB ALA A 61 39.399 -4.222 9.412 0.000 +ATOM 119 CA ASP A 62 35.815 -6.111 10.399 0.000 +ATOM 120 CB ASP A 62 36.358 -6.336 12.288 0.000 +ATOM 121 CA ASN A 63 33.515 -4.756 7.714 0.000 +ATOM 122 CB ASN A 63 32.782 -3.234 8.745 0.000 +ATOM 123 CA LYS A 64 33.034 -5.680 4.091 0.000 +ATOM 124 CB LYS A 64 32.520 -7.027 1.811 0.000 +ATOM 125 CA SER A 65 35.304 -3.664 1.837 0.000 +ATOM 126 CB SER A 65 36.479 -3.517 1.426 0.000 +ATOM 127 CA LEU A 66 33.443 -2.461 -1.236 0.000 +ATOM 128 CB LEU A 66 31.428 -2.181 -0.749 0.000 +ATOM 129 CA GLY A 67 36.523 -0.864 -2.787 0.000 +ATOM 130 CA GLN A 68 38.742 2.221 -2.552 0.000 +ATOM 131 CB GLN A 68 41.167 1.601 -1.207 0.000 +ATOM 132 CA PHE A 69 40.090 5.131 -4.560 0.000 +ATOM 133 CB PHE A 69 37.631 6.828 -4.540 0.000 +ATOM 134 CA ASN A 70 42.207 8.232 -3.943 0.000 +ATOM 135 CB ASN A 70 43.922 7.279 -3.654 0.000 +ATOM 136 CA LEU A 71 41.547 11.934 -4.335 0.000 +ATOM 137 CB LEU A 71 40.280 13.554 -4.065 0.000 +ATOM 138 CA ASP A 72 44.853 13.778 -4.933 0.000 +ATOM 139 CB ASP A 72 45.795 13.311 -6.662 0.000 +ATOM 140 CA GLY A 73 45.893 17.363 -5.671 0.000 +ATOM 141 CA ILE A 74 45.134 18.623 -2.169 0.000 +ATOM 142 CB ILE A 74 44.278 17.523 -0.856 0.000 +ATOM 143 CA ASN A 75 47.138 21.853 -1.750 0.000 +ATOM 144 CB ASN A 75 46.490 23.035 -3.195 0.000 +ATOM 145 CA PRO A 76 49.546 22.349 1.195 0.000 +ATOM 146 CB PRO A 76 50.251 22.946 0.128 0.000 +ATOM 147 CA ALA A 77 47.657 23.101 4.401 0.000 +ATOM 148 CB ALA A 77 46.918 23.084 4.210 0.000 +ATOM 149 CA PRO A 78 47.745 22.364 8.106 0.000 +ATOM 150 CB PRO A 78 47.531 23.744 8.165 0.000 +ATOM 151 CA ARG A 79 46.164 19.027 9.025 0.000 +ATOM 152 CB ARG A 79 45.947 17.142 12.207 0.000 +ATOM 153 CA GLY A 80 42.401 19.271 9.515 0.000 +ATOM 154 CA MET A 81 41.970 22.313 7.307 0.000 +ATOM 155 CB MET A 81 42.691 24.102 8.122 0.000 +ATOM 156 CA PRO A 82 41.165 20.816 3.885 0.000 +ATOM 157 CB PRO A 82 42.421 20.234 4.069 0.000 +ATOM 158 CA GLN A 83 37.470 20.145 3.181 0.000 +ATOM 159 CB GLN A 83 36.270 22.583 3.624 0.000 +ATOM 160 CA ILE A 84 36.935 16.818 1.454 0.000 +ATOM 161 CB ILE A 84 38.356 16.033 1.187 0.000 +ATOM 162 CA GLU A 85 33.228 16.319 0.945 0.000 +ATOM 163 CB GLU A 85 30.976 17.544 -0.084 0.000 +ATOM 164 CA VAL A 86 32.325 12.645 0.657 0.000 +ATOM 165 CB VAL A 86 33.080 11.576 1.283 0.000 +ATOM 166 CA THR A 87 28.910 11.775 -0.766 0.000 +ATOM 167 CB THR A 87 28.215 12.746 -1.601 0.000 +ATOM 168 CA PHE A 88 27.189 8.366 -0.808 0.000 +ATOM 169 CB PHE A 88 28.923 6.600 0.902 0.000 +ATOM 170 CA ASP A 89 24.372 8.266 -3.376 0.000 +ATOM 171 CB ASP A 89 23.622 9.171 -4.971 0.000 +ATOM 172 CA ILE A 90 22.242 5.151 -3.930 0.000 +ATOM 173 CB ILE A 90 22.300 3.822 -2.542 0.000 +ATOM 174 CA ASP A 91 19.870 5.414 -6.888 0.000 +ATOM 175 CB ASP A 91 20.862 4.719 -8.460 0.000 +ATOM 176 CA ALA A 92 16.592 3.649 -7.751 0.000 +ATOM 177 CB ALA A 92 16.081 3.917 -8.246 0.000 +ATOM 178 CA ASP A 93 18.526 0.833 -9.452 0.000 +ATOM 179 CB ASP A 93 18.642 1.387 -11.345 0.000 +ATOM 180 CA GLY A 94 20.396 0.227 -6.194 0.000 +ATOM 181 CA ILE A 95 23.774 1.378 -7.562 0.000 +ATOM 182 CB ILE A 95 23.996 1.463 -9.451 0.000 +ATOM 183 CA LEU A 96 25.993 3.153 -4.988 0.000 +ATOM 184 CB LEU A 96 26.909 3.123 -3.062 0.000 +ATOM 185 CA HIS A 97 27.916 6.194 -6.242 0.000 +ATOM 186 CB HIS A 97 26.310 6.202 -8.440 0.000 +ATOM 187 CA VAL A 98 30.628 7.416 -3.825 0.000 +ATOM 188 CB VAL A 98 31.225 6.648 -2.722 0.000 +ATOM 189 CA SER A 99 32.370 10.733 -4.509 0.000 +ATOM 190 CB SER A 99 31.559 11.662 -4.820 0.000 +ATOM 191 CA ALA A 100 35.103 12.782 -2.801 0.000 +ATOM 192 CB ALA A 100 35.727 12.400 -2.588 0.000 +ATOM 193 CA LYS A 101 35.487 16.459 -3.619 0.000 +ATOM 194 CB LYS A 101 33.381 18.171 -5.025 0.000 +ATOM 195 CA ASP A 102 38.141 18.924 -2.485 0.000 +ATOM 196 CB ASP A 102 40.000 19.633 -2.462 0.000 +ATOM 197 CA LYS A 103 36.263 22.167 -1.889 0.000 +ATOM 198 CB LYS A 103 33.752 21.936 0.071 0.000 +ATOM 199 CA ASN A 104 39.369 24.350 -2.405 0.000 +ATOM 200 CB ASN A 104 41.322 24.790 -2.365 0.000 +ATOM 201 CA SER A 105 40.383 22.939 -5.786 0.000 +ATOM 202 CB SER A 105 41.039 21.875 -5.631 0.000 +ATOM 203 CA GLY A 106 37.051 21.552 -6.882 0.000 +ATOM 204 CA LYS A 107 38.712 18.282 -7.893 0.000 +ATOM 205 CB LYS A 107 41.838 18.334 -8.539 0.000 +ATOM 206 CA GLU A 108 36.587 15.128 -7.506 0.000 +ATOM 207 CB GLU A 108 33.837 14.758 -7.874 0.000 +ATOM 208 CA GLN A 109 37.080 11.375 -7.754 0.000 +ATOM 209 CB GLN A 109 38.975 10.916 -8.737 0.000 +ATOM 210 CA LYS A 110 34.362 8.739 -7.791 0.000 +ATOM 211 CB LYS A 110 31.941 9.862 -9.211 0.000 +ATOM 212 CA ILE A 111 33.786 5.019 -7.409 0.000 +ATOM 213 CB ILE A 111 34.467 3.707 -6.183 0.000 +ATOM 214 CA THR A 112 30.635 3.250 -8.527 0.000 +ATOM 215 CB THR A 112 29.925 3.703 -9.688 0.000 +ATOM 216 CA ILE A 113 29.509 0.025 -6.854 0.000 +ATOM 217 CB ILE A 113 30.244 0.003 -5.105 0.000 +ATOM 218 CA LYS A 114 26.991 -2.321 -8.526 0.000 +ATOM 219 CB LYS A 114 28.224 -4.394 -10.195 0.000 +ATOM 220 CA ALA A 115 23.857 -3.220 -6.534 0.000 +ATOM 221 CB ALA A 115 23.151 -3.136 -6.796 0.000 +ATOM 222 CA SER A 116 24.921 -6.868 -6.411 0.000 +ATOM 223 CB SER A 116 25.248 -7.287 -7.560 0.000 +ATOM 224 CA SER A 117 28.218 -6.058 -4.690 0.000 +ATOM 225 CB SER A 117 28.889 -5.269 -5.411 0.000 +ATOM 226 CA GLY A 118 28.730 -6.292 -0.956 0.000 +ATOM 227 CA LEU A 119 27.561 -9.101 1.310 0.000 +ATOM 228 CB LEU A 119 28.562 -8.947 3.167 0.000 +ATOM 229 CA ASN A 120 24.918 -11.684 0.402 0.000 +ATOM 230 CB ASN A 120 25.702 -13.521 0.561 0.000 +ATOM 231 CA GLU A 121 21.789 -12.474 2.453 0.000 +ATOM 232 CB GLU A 121 21.165 -12.806 2.184 0.000 +ATOM 233 CA ASP A 122 23.356 -14.996 4.835 0.000 +ATOM 234 CB ASP A 122 23.007 -16.859 4.277 0.000 +ATOM 235 CA GLU A 123 26.489 -12.864 5.271 0.000 +ATOM 236 CB GLU A 123 28.131 -13.059 3.044 0.000 +ATOM 237 CA ILE A 124 24.224 -9.947 6.186 0.000 +ATOM 238 CB ILE A 124 23.066 -9.053 4.941 0.000 +ATOM 239 CA GLN A 125 22.676 -12.115 8.897 0.000 +ATOM 240 CB GLN A 125 22.278 -12.746 8.770 0.000 +ATOM 241 CA LYS A 126 26.126 -13.171 10.110 0.000 +ATOM 242 CB LYS A 126 29.034 -13.995 9.892 0.000 +ATOM 243 CA MET A 127 27.256 -9.504 10.203 0.000 +ATOM 244 CB MET A 127 28.281 -7.727 9.437 0.000 +ATOM 245 CA VAL A 128 24.315 -8.468 12.357 0.000 +ATOM 246 CB VAL A 128 22.912 -8.166 12.084 0.000 +ATOM 247 CA ARG A 129 24.979 -11.489 14.602 0.000 +ATOM 248 CB ARG A 129 24.209 -14.606 12.532 0.000 +ATOM 249 CA ASP A 130 28.679 -10.713 15.071 0.000 +ATOM 250 CB ASP A 130 29.802 -11.858 13.918 0.000 +ATOM 251 CA ALA A 131 28.065 -7.005 15.638 0.000 +ATOM 252 CB ALA A 131 27.669 -6.538 15.183 0.000 +ATOM 253 CA GLU A 132 25.736 -7.910 18.508 0.000 +ATOM 254 CB GLU A 132 25.060 -8.234 18.418 0.000 +ATOM 255 CA ALA A 133 28.116 -10.562 19.782 0.000 +ATOM 256 CB ALA A 133 28.366 -11.149 19.367 0.000 +ATOM 257 CA ASN A 134 30.930 -7.975 19.827 0.000 +ATOM 258 CB ASN A 134 32.055 -9.086 18.643 0.000 +ATOM 259 CA ALA A 135 29.047 -4.896 21.008 0.000 +ATOM 260 CB ALA A 135 28.329 -4.864 21.245 0.000 +ATOM 261 CA GLU A 136 31.305 -4.478 24.051 0.000 +ATOM 262 CB GLU A 136 31.328 -4.945 24.658 0.000 +ATOM 263 CA ALA A 137 34.594 -5.117 22.243 0.000 +ATOM 264 CB ALA A 137 34.763 -5.756 21.861 0.000 +ATOM 265 CA ASP A 138 33.499 -2.551 19.654 0.000 +ATOM 266 CB ASP A 138 32.755 -3.328 18.001 0.000 +ATOM 267 CA ARG A 139 32.687 -0.019 22.362 0.000 +ATOM 268 CB ARG A 139 30.200 1.300 25.018 0.000 +ATOM 269 CA LYS A 140 36.168 -0.556 23.810 0.000 +ATOM 270 CB LYS A 140 36.363 -1.816 26.280 0.000 +ATOM 271 CA PHE A 141 37.707 -0.121 20.344 0.000 +ATOM 272 CB PHE A 141 38.360 -0.057 17.440 0.000 +ATOM 273 CA GLU A 142 35.713 3.065 19.774 0.000 +ATOM 274 CB GLU A 142 34.953 3.133 19.756 0.000 +ATOM 275 CA GLU A 143 36.822 4.653 23.046 0.000 +ATOM 276 CB GLU A 143 36.440 3.390 25.549 0.000 +ATOM 277 CA LEU A 144 40.434 3.591 22.369 0.000 +ATOM 278 CB LEU A 144 41.962 2.188 22.077 0.000 +ATOM 279 CA VAL A 145 40.389 5.428 19.031 0.000 +ATOM 280 CB VAL A 145 39.955 5.019 17.696 0.000 +ATOM 281 CA GLN A 146 38.703 8.433 20.689 0.000 +ATOM 282 CB GLN A 146 36.832 9.832 21.521 0.000 +ATOM 283 CA THR A 147 41.562 8.487 23.206 0.000 +ATOM 284 CB THR A 147 41.798 7.691 24.402 0.000 +ATOM 285 CA ARG A 148 44.281 7.961 20.593 0.000 +ATOM 286 CB ARG A 148 44.354 7.345 20.155 0.000 +ATOM 287 CA ASN A 149 42.860 10.698 18.364 0.000 +ATOM 288 CB ASN A 149 41.816 9.833 16.891 0.000 +ATOM 289 CA GLN A 150 42.566 13.134 21.306 0.000 +ATOM 290 CB GLN A 150 40.300 12.734 22.931 0.000 +ATOM 291 CA GLY A 151 46.178 12.388 22.231 0.000 +ATOM 292 CA ASP A 152 47.281 12.915 18.616 0.000 +ATOM 293 CB ASP A 152 47.240 12.741 16.638 0.000 +ATOM 294 CA HIS A 153 45.584 16.328 18.584 0.000 +ATOM 295 CB HIS A 153 43.906 18.362 19.182 0.000 +ATOM 296 CA LEU A 154 47.268 17.185 21.878 0.000 +ATOM 297 CB LEU A 154 46.870 16.984 23.937 0.000 +ATOM 298 CA LEU A 155 50.647 16.079 20.585 0.000 +ATOM 299 CB LEU A 155 51.955 14.615 19.833 0.000 +ATOM 300 CA HIS A 156 50.253 17.936 17.265 0.000 +ATOM 301 CB HIS A 156 49.539 18.445 14.661 0.000 +ATOM 302 CA SER A 157 48.812 21.101 18.846 0.000 +ATOM 303 CB SER A 157 47.573 21.170 19.073 0.000 +ATOM 304 CA THR A 158 51.331 21.304 21.660 0.000 +ATOM 305 CB THR A 158 51.459 20.582 22.923 0.000 +ATOM 306 CA ARG A 159 54.236 21.025 19.193 0.000 +ATOM 307 CB ARG A 159 55.446 17.200 18.428 0.000 +ATOM 308 CA LYS A 160 52.817 23.898 17.110 0.000 +ATOM 309 CB LYS A 160 52.127 23.919 16.781 0.000 +ATOM 310 CA GLN A 161 52.350 25.997 20.222 0.000 +ATOM 311 CB GLN A 161 49.899 25.326 21.342 0.000 +ATOM 312 CA VAL A 162 55.919 25.362 21.454 0.000 +ATOM 313 CB VAL A 162 56.645 24.182 21.930 0.000 +ATOM 314 CA GLU A 163 57.308 26.674 18.167 0.000 +ATOM 315 CB GLU A 163 57.153 26.378 17.481 0.000 +ATOM 316 CA GLU A 164 54.972 29.663 18.180 0.000 +ATOM 317 CB GLU A 164 54.217 29.633 18.096 0.000 +ATOM 318 CA ALA A 165 56.013 30.451 21.751 0.000 +ATOM 319 CB ALA A 165 55.871 30.019 22.361 0.000 +ATOM 320 CA GLY A 166 59.749 30.264 21.095 0.000 +ATOM 321 CA ASP A 167 61.705 32.198 23.735 0.000 +ATOM 322 CB ASP A 167 63.265 32.948 22.781 0.000 +ATOM 323 CA LYS A 168 58.466 33.084 25.492 0.000 +ATOM 324 CB LYS A 168 56.226 34.600 23.751 0.000 +ATOM 325 CA LEU A 169 58.512 29.563 26.911 0.000 +ATOM 326 CB LEU A 169 57.732 27.621 26.740 0.000 +ATOM 327 CA PRO A 170 60.814 29.174 29.979 0.000 +ATOM 328 CB PRO A 170 59.612 29.580 30.575 0.000 +ATOM 329 CA ALA A 171 63.521 26.491 29.710 0.000 +ATOM 330 CB ALA A 171 64.263 26.593 29.826 0.000 +ATOM 331 CA ASP A 172 62.279 24.414 32.682 0.000 +ATOM 332 CB ASP A 172 62.962 25.254 34.360 0.000 +ATOM 333 CA ASP A 173 58.809 24.316 31.118 0.000 +ATOM 334 CB ASP A 173 57.768 25.774 31.933 0.000 +ATOM 335 CA LYS A 174 59.980 23.428 27.620 0.000 +ATOM 336 CB LYS A 174 61.305 23.881 25.004 0.000 +ATOM 337 CA THR A 175 62.082 20.585 28.993 0.000 +ATOM 338 CB THR A 175 63.333 20.555 29.720 0.000 +ATOM 339 CA ALA A 176 59.169 19.041 30.887 0.000 +ATOM 340 CB ALA A 176 58.808 19.373 31.467 0.000 +ATOM 341 CA ILE A 177 56.775 19.610 27.993 0.000 +ATOM 342 CB ILE A 177 55.999 21.306 27.557 0.000 +ATOM 343 CA GLU A 178 59.021 18.062 25.372 0.000 +ATOM 344 CB GLU A 178 60.476 19.802 23.782 0.000 +ATOM 345 CA SER A 179 59.772 14.984 27.458 0.000 +ATOM 346 CB SER A 179 60.573 15.098 28.434 0.000 +ATOM 347 CA ALA A 180 56.019 14.542 27.937 0.000 +ATOM 348 CB ALA A 180 55.583 15.025 28.320 0.000 +ATOM 349 CA LEU A 181 55.475 14.964 24.198 0.000 +ATOM 350 CB LEU A 181 55.149 16.926 23.484 0.000 +ATOM 351 CA THR A 182 58.011 12.263 23.391 0.000 +ATOM 352 CB THR A 182 59.450 12.178 23.386 0.000 +ATOM 353 CA ALA A 183 56.388 9.976 25.961 0.000 +ATOM 354 CB ALA A 183 56.334 10.123 26.707 0.000 +ATOM 355 CA LEU A 184 52.943 10.742 24.523 0.000 +ATOM 356 CB LEU A 184 51.298 11.977 24.214 0.000 +ATOM 357 CA GLU A 185 54.048 9.998 20.965 0.000 +ATOM 358 CB GLU A 185 55.451 10.965 18.815 0.000 +ATOM 359 CA THR A 186 55.396 6.624 22.097 0.000 +ATOM 360 CB THR A 186 56.563 6.226 22.863 0.000 +ATOM 361 CA ALA A 187 52.118 5.831 23.856 0.000 +ATOM 362 CB ALA A 187 51.813 6.249 24.411 0.000 +ATOM 363 CA LEU A 188 50.095 6.689 20.751 0.000 +ATOM 364 CB LEU A 188 49.611 8.720 20.522 0.000 +ATOM 365 CA LYS A 189 51.991 3.906 18.936 0.000 +ATOM 366 CB LYS A 189 54.537 5.033 17.883 0.000 +ATOM 367 CA GLY A 190 50.543 1.290 21.295 0.000 +ATOM 368 CA GLU A 191 47.107 -0.067 22.230 0.000 +ATOM 369 CB GLU A 191 46.673 -0.984 20.211 0.000 +ATOM 370 CA ASP A 192 47.106 0.764 25.939 0.000 +ATOM 371 CB ASP A 192 47.854 0.547 27.768 0.000 +ATOM 372 CA LYS A 193 44.401 3.374 26.567 0.000 +ATOM 373 CB LYS A 193 41.351 4.077 27.022 0.000 +ATOM 374 CA ALA A 194 45.417 3.996 30.158 0.000 +ATOM 375 CB ALA A 194 45.435 3.480 30.720 0.000 +ATOM 376 CA ALA A 195 49.009 4.585 29.049 0.000 +ATOM 377 CB ALA A 195 49.457 4.076 28.705 0.000 +ATOM 378 CA ILE A 196 47.913 7.123 26.410 0.000 +ATOM 379 CB ILE A 196 47.098 6.640 24.729 0.000 +ATOM 380 CA GLU A 197 45.706 8.859 28.973 0.000 +ATOM 381 CB GLU A 197 43.198 7.684 29.411 0.000 +ATOM 382 CA ALA A 198 48.613 8.859 31.450 0.000 +ATOM 383 CB ALA A 198 49.011 8.251 31.660 0.000 +ATOM 384 CA LYS A 199 50.859 10.686 29.021 0.000 +ATOM 385 CB LYS A 199 52.688 8.906 29.149 0.000 +ATOM 386 CA MET A 200 48.127 13.172 28.069 0.000 +ATOM 387 CB MET A 200 46.208 12.637 26.518 0.000 +ATOM 388 CA GLN A 201 47.690 13.809 31.794 0.000 +ATOM 389 CB GLN A 201 46.973 12.603 34.182 0.000 +ATOM 390 CA GLU A 202 51.413 14.408 32.337 0.000 +ATOM 391 CB GLU A 202 53.987 13.410 32.022 0.000 +ATOM 392 CA LEU A 203 51.382 16.823 29.393 0.000 +ATOM 393 CB LEU A 203 51.368 17.177 27.336 0.000 +ATOM 394 CA ALA A 204 48.372 18.628 30.897 0.000 +ATOM 395 CB ALA A 204 47.673 18.336 31.005 0.000 +ATOM 396 CA GLN A 205 50.216 18.881 34.218 0.000 +ATOM 397 CB GLN A 205 49.827 16.544 35.710 0.000 +ATOM 398 CA VAL A 206 53.403 20.436 32.824 0.000 +ATOM 399 CB VAL A 206 54.352 19.373 32.546 0.000 +ATOM 400 CA SER A 207 52.020 22.630 30.004 0.000 +ATOM 401 CB SER A 207 51.748 21.852 29.023 0.000 +ATOM 402 CA GLN A 208 50.308 25.311 32.138 0.000 +ATOM 403 CB GLN A 208 49.317 25.594 34.742 0.000 +ATOM 404 CA LYS A 209 52.755 28.092 31.229 0.000 +ATOM 405 CB LYS A 209 54.224 30.220 31.369 0.000 +ATOM 406 CA LEU A 210 52.672 27.123 27.535 0.000 +ATOM 407 CB LEU A 210 53.028 25.906 25.955 0.000 +ATOM 408 CA MET A 211 48.873 27.180 27.583 0.000 +ATOM 409 CB MET A 211 48.351 25.338 27.251 0.000 +ATOM 410 CA GLU A 212 48.916 30.662 29.138 0.000 +ATOM 411 CB GLU A 212 50.472 32.222 30.590 0.000 +ATOM 412 CA ILE A 213 51.258 31.940 26.418 0.000 +ATOM 413 CB ILE A 213 53.141 31.702 26.473 0.000 +ATOM 414 CA ALA A 214 49.476 30.177 23.545 0.000 +ATOM 415 CB ALA A 214 49.406 29.424 23.471 0.000 +ATOM 416 CA GLN A 215 46.149 31.492 24.838 0.000 +ATOM 417 CB GLN A 215 44.743 32.570 26.427 0.000 +TER +ATOM 418 CA ASN B 1 35.834 17.109 12.341 0.000 +ATOM 419 CB ASN B 1 36.081 18.992 12.997 0.000 +ATOM 420 CA ARG B 2 36.866 13.632 11.075 0.000 +ATOM 421 CB ARG B 2 35.917 10.974 13.178 0.000 +ATOM 422 CA LEU B 3 40.251 12.957 9.388 0.000 +ATOM 423 CB LEU B 3 41.357 14.122 10.684 0.000 +ATOM 424 CA LEU B 4 41.335 10.629 6.554 0.000 +ATOM 425 CB LEU B 4 39.660 10.625 5.248 0.000 +ATOM 426 CA LEU B 5 44.710 8.973 5.942 0.000 +ATOM 427 CB LEU B 5 45.093 7.657 7.526 0.000 +ATOM 428 CA THR B 6 46.595 8.739 2.618 0.000 +ATOM 429 CB THR B 6 47.609 9.812 2.436 0.000 +ATOM 430 CA GLY B 7 47.302 5.087 1.380 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 21 20 +CONECT 21 23 22 +CONECT 23 24 +CONECT 24 26 25 +CONECT 26 28 27 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 33 +CONECT 33 34 +CONECT 34 36 35 +CONECT 36 38 37 +CONECT 38 40 39 +CONECT 40 42 41 +CONECT 42 44 43 +CONECT 44 46 45 +CONECT 46 48 47 +CONECT 48 50 49 +CONECT 50 52 51 +CONECT 52 54 53 +CONECT 54 56 55 +CONECT 56 58 57 +CONECT 58 60 59 +CONECT 60 62 61 +CONECT 62 64 63 +CONECT 64 66 65 +CONECT 66 68 67 +CONECT 68 70 69 +CONECT 70 72 71 +CONECT 72 74 73 +CONECT 74 76 75 +CONECT 76 78 77 +CONECT 78 80 79 +CONECT 80 82 81 +CONECT 82 84 83 +CONECT 84 86 85 +CONECT 86 88 87 +CONECT 88 90 89 +CONECT 90 92 91 +CONECT 92 94 93 +CONECT 94 96 95 +CONECT 96 98 97 +CONECT 98 100 99 +CONECT 100 102 101 +CONECT 102 104 103 +CONECT 104 106 105 +CONECT 106 107 +CONECT 107 109 108 +CONECT 109 111 110 +CONECT 111 113 112 +CONECT 113 115 114 +CONECT 115 117 116 +CONECT 117 119 118 +CONECT 119 121 120 +CONECT 121 123 122 +CONECT 123 125 124 +CONECT 125 127 126 +CONECT 127 129 128 +CONECT 129 130 +CONECT 130 132 131 +CONECT 132 134 133 +CONECT 134 136 135 +CONECT 136 138 137 +CONECT 138 140 139 +CONECT 140 141 +CONECT 141 143 142 +CONECT 143 145 144 +CONECT 145 147 146 +CONECT 147 149 148 +CONECT 149 151 150 +CONECT 151 153 152 +CONECT 153 154 +CONECT 154 156 155 +CONECT 156 158 157 +CONECT 158 160 159 +CONECT 160 162 161 +CONECT 162 164 163 +CONECT 164 166 165 +CONECT 166 168 167 +CONECT 168 170 169 +CONECT 170 172 171 +CONECT 172 174 173 +CONECT 174 176 175 +CONECT 176 178 177 +CONECT 178 180 179 +CONECT 180 181 +CONECT 181 183 182 +CONECT 183 185 184 +CONECT 185 187 186 +CONECT 187 189 188 +CONECT 189 191 190 +CONECT 191 193 192 +CONECT 193 195 194 +CONECT 195 197 196 +CONECT 197 199 198 +CONECT 199 201 200 +CONECT 201 203 202 +CONECT 203 204 +CONECT 204 206 205 +CONECT 206 208 207 +CONECT 208 210 209 +CONECT 210 212 211 +CONECT 212 214 213 +CONECT 214 216 215 +CONECT 216 218 217 +CONECT 218 220 219 +CONECT 220 222 221 +CONECT 222 224 223 +CONECT 224 226 225 +CONECT 226 227 +CONECT 227 229 228 +CONECT 229 231 230 +CONECT 231 233 232 +CONECT 233 235 234 +CONECT 235 237 236 +CONECT 237 239 238 +CONECT 239 241 240 +CONECT 241 243 242 +CONECT 243 245 244 +CONECT 245 247 246 +CONECT 247 249 248 +CONECT 249 251 250 +CONECT 251 253 252 +CONECT 253 255 254 +CONECT 255 257 256 +CONECT 257 259 258 +CONECT 259 261 260 +CONECT 261 263 262 +CONECT 263 265 264 +CONECT 265 267 266 +CONECT 267 269 268 +CONECT 269 271 270 +CONECT 271 273 272 +CONECT 273 275 274 +CONECT 275 277 276 +CONECT 277 279 278 +CONECT 279 281 280 +CONECT 281 283 282 +CONECT 283 285 284 +CONECT 285 287 286 +CONECT 287 289 288 +CONECT 289 291 290 +CONECT 291 292 +CONECT 292 294 293 +CONECT 294 296 295 +CONECT 296 298 297 +CONECT 298 300 299 +CONECT 300 302 301 +CONECT 302 304 303 +CONECT 304 306 305 +CONECT 306 308 307 +CONECT 308 310 309 +CONECT 310 312 311 +CONECT 312 314 313 +CONECT 314 316 315 +CONECT 316 318 317 +CONECT 318 320 319 +CONECT 320 321 +CONECT 321 323 322 +CONECT 323 325 324 +CONECT 325 327 326 +CONECT 327 329 328 +CONECT 329 331 330 +CONECT 331 333 332 +CONECT 333 335 334 +CONECT 335 337 336 +CONECT 337 339 338 +CONECT 339 341 340 +CONECT 341 343 342 +CONECT 343 345 344 +CONECT 345 347 346 +CONECT 347 349 348 +CONECT 349 351 350 +CONECT 351 353 352 +CONECT 353 355 354 +CONECT 355 357 356 +CONECT 357 359 358 +CONECT 359 361 360 +CONECT 361 363 362 +CONECT 363 365 364 +CONECT 365 367 366 +CONECT 367 368 +CONECT 368 370 369 +CONECT 370 372 371 +CONECT 372 374 373 +CONECT 374 376 375 +CONECT 376 378 377 +CONECT 378 380 379 +CONECT 380 382 381 +CONECT 382 384 383 +CONECT 384 386 385 +CONECT 386 388 387 +CONECT 388 390 389 +CONECT 390 392 391 +CONECT 392 394 393 +CONECT 394 396 395 +CONECT 396 398 397 +CONECT 398 400 399 +CONECT 400 402 401 +CONECT 402 404 403 +CONECT 404 406 405 +CONECT 406 408 407 +CONECT 408 410 409 +CONECT 410 412 411 +CONECT 412 414 413 +CONECT 414 416 415 +CONECT 416 417 +CONECT 418 420 419 +CONECT 420 422 421 +CONECT 422 424 423 +CONECT 424 426 425 +CONECT 426 428 427 +CONECT 428 430 429 +ENDMDL