EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:46 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.3416 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1543.43262 REMARK 6 GA341 score: 0.99531 REMARK 6 Normalized DOPE score: -1.13281 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 251 -4.744 35.787 48.687 1.00 29.28 N ATOM 2 CA GLU 251 -5.448 36.918 49.338 1.00 29.28 C ATOM 3 CB GLU 251 -6.185 37.775 48.292 1.00 29.28 C ATOM 4 CG GLU 251 -6.914 38.991 48.876 1.00 29.28 C ATOM 5 CD GLU 251 -7.648 39.694 47.738 1.00 29.28 C ATOM 6 OE1 GLU 251 -7.823 39.052 46.669 1.00 29.28 O ATOM 7 OE2 GLU 251 -8.046 40.877 47.918 1.00 29.28 O ATOM 8 C GLU 251 -6.477 36.405 50.288 1.00 29.28 C ATOM 9 O GLU 251 -7.318 35.585 49.923 1.00 29.28 O ATOM 10 N LYS 252 -6.430 36.867 51.552 1.00116.54 N ATOM 11 CA LYS 252 -7.430 36.418 52.475 1.00116.54 C ATOM 12 CB LYS 252 -6.852 35.805 53.760 1.00116.54 C ATOM 13 CG LYS 252 -5.866 34.659 53.512 1.00116.54 C ATOM 14 CD LYS 252 -4.512 35.135 52.984 1.00116.54 C ATOM 15 CE LYS 252 -3.698 35.913 54.023 1.00116.54 C ATOM 16 NZ LYS 252 -2.405 36.339 53.442 1.00116.54 N ATOM 17 C LYS 252 -8.200 37.625 52.901 1.00116.54 C ATOM 18 O LYS 252 -7.794 38.357 53.801 1.00116.54 O ATOM 19 N PRO 253 -9.313 37.829 52.258 1.00117.24 N ATOM 20 CA PRO 253 -10.181 38.957 52.462 1.00117.24 C ATOM 21 CD PRO 253 -9.814 36.906 51.253 1.00117.24 C ATOM 22 CB PRO 253 -11.208 38.879 51.329 1.00117.24 C ATOM 23 CG PRO 253 -11.246 37.385 50.964 1.00117.24 C ATOM 24 C PRO 253 -10.857 39.016 53.799 1.00117.24 C ATOM 25 O PRO 253 -11.206 40.118 54.220 1.00117.24 O ATOM 26 N TYR 254 -11.066 37.879 54.490 1.00 61.68 N ATOM 27 CA TYR 254 -11.865 37.960 55.682 1.00 61.68 C ATOM 28 CB TYR 254 -12.982 36.904 55.727 1.00 61.68 C ATOM 29 CG TYR 254 -13.871 37.198 54.569 1.00 61.68 C ATOM 30 CD1 TYR 254 -14.895 38.112 54.673 1.00 61.68 C ATOM 31 CD2 TYR 254 -13.662 36.564 53.367 1.00 61.68 C ATOM 32 CE1 TYR 254 -15.707 38.383 53.596 1.00 61.68 C ATOM 33 CE2 TYR 254 -14.468 36.829 52.287 1.00 61.68 C ATOM 34 CZ TYR 254 -15.491 37.739 52.401 1.00 61.68 C ATOM 35 OH TYR 254 -16.316 38.007 51.291 1.00 61.68 O ATOM 36 C TYR 254 -10.999 37.767 56.880 1.00 61.68 C ATOM 37 O TYR 254 -10.323 36.751 57.023 1.00 61.68 O ATOM 38 N THR 255 -11.021 38.757 57.794 1.00103.29 N ATOM 39 CA THR 255 -10.175 38.717 58.951 1.00103.29 C ATOM 40 CB THR 255 -9.383 39.976 59.115 1.00103.29 C ATOM 41 OG1 THR 255 -8.531 39.880 60.247 1.00103.29 O ATOM 42 CG2 THR 255 -10.367 41.150 59.275 1.00103.29 C ATOM 43 C THR 255 -11.014 38.571 60.181 1.00103.29 C ATOM 44 O THR 255 -12.084 39.165 60.302 1.00103.29 O ATOM 45 N CYS 256 -10.535 37.736 61.126 1.00 39.80 N ATOM 46 CA CYS 256 -11.216 37.529 62.373 1.00 39.80 C ATOM 47 CB CYS 256 -10.800 36.231 63.086 1.00 39.80 C ATOM 48 SG CYS 256 -11.672 35.984 64.662 1.00 39.80 S ATOM 49 C CYS 256 -10.885 38.671 63.280 1.00 39.80 C ATOM 50 O CYS 256 -9.722 39.029 63.459 1.00 39.80 O ATOM 51 N THR 257 -11.918 39.271 63.900 1.00107.43 N ATOM 52 CA THR 257 -11.688 40.411 64.736 1.00107.43 C ATOM 53 CB THR 257 -12.958 41.042 65.238 1.00107.43 C ATOM 54 OG1 THR 257 -13.677 40.134 66.059 1.00107.43 O ATOM 55 CG2 THR 257 -13.813 41.454 64.027 1.00107.43 C ATOM 56 C THR 257 -10.867 40.021 65.928 1.00107.43 C ATOM 57 O THR 257 -9.970 40.759 66.338 1.00107.43 O ATOM 58 N GLU 258 -11.180 38.864 66.546 1.00 96.81 N ATOM 59 CA GLU 258 -10.495 38.526 67.761 1.00 96.81 C ATOM 60 CB GLU 258 -11.130 37.322 68.476 1.00 96.81 C ATOM 61 CG GLU 258 -10.536 37.035 69.860 1.00 96.81 C ATOM 62 CD GLU 258 -11.036 38.109 70.818 1.00 96.81 C ATOM 63 OE1 GLU 258 -11.314 39.241 70.343 1.00 96.81 O ATOM 64 OE2 GLU 258 -11.148 37.814 72.039 1.00 96.81 O ATOM 65 C GLU 258 -9.040 38.200 67.563 1.00 96.81 C ATOM 66 O GLU 258 -8.171 38.882 68.106 1.00 96.81 O ATOM 67 N CYS 259 -8.749 37.129 66.792 1.00 62.27 N ATOM 68 CA CYS 259 -7.408 36.641 66.579 1.00 62.27 C ATOM 69 CB CYS 259 -7.378 35.175 66.120 1.00 62.27 C ATOM 70 SG CYS 259 -8.319 34.905 64.592 1.00 62.27 S ATOM 71 C CYS 259 -6.627 37.457 65.592 1.00 62.27 C ATOM 72 O CYS 259 -5.430 37.675 65.771 1.00 62.27 O ATOM 73 N GLY 260 -7.278 37.926 64.510 1.00 26.41 N ATOM 74 CA GLY 260 -6.574 38.664 63.499 1.00 26.41 C ATOM 75 C GLY 260 -6.186 37.728 62.389 1.00 26.41 C ATOM 76 O GLY 260 -5.515 38.130 61.441 1.00 26.41 O ATOM 77 N LYS 261 -6.598 36.448 62.482 1.00 56.81 N ATOM 78 CA LYS 261 -6.294 35.472 61.471 1.00 56.81 C ATOM 79 CB LYS 261 -6.642 34.045 61.932 1.00 56.81 C ATOM 80 CG LYS 261 -6.265 32.934 60.950 1.00 56.81 C ATOM 81 CD LYS 261 -6.389 31.532 61.560 1.00 56.81 C ATOM 82 CE LYS 261 -6.068 30.399 60.583 1.00 56.81 C ATOM 83 NZ LYS 261 -6.320 29.084 61.219 1.00 56.81 N ATOM 84 C LYS 261 -7.120 35.793 60.256 1.00 56.81 C ATOM 85 O LYS 261 -8.266 36.225 60.373 1.00 56.81 O ATOM 86 N SER 262 -6.553 35.589 59.043 1.00 50.35 N ATOM 87 CA SER 262 -7.269 35.916 57.838 1.00 50.35 C ATOM 88 CB SER 262 -6.486 36.837 56.889 1.00 50.35 C ATOM 89 OG SER 262 -6.295 38.106 57.498 1.00 50.35 O ATOM 90 C SER 262 -7.569 34.651 57.093 1.00 50.35 C ATOM 91 O SER 262 -6.825 33.675 57.185 1.00 50.35 O ATOM 92 N PHE 263 -8.691 34.642 56.335 1.00149.79 N ATOM 93 CA PHE 263 -9.112 33.458 55.635 1.00149.79 C ATOM 94 CB PHE 263 -10.390 32.845 56.232 1.00149.79 C ATOM 95 CG PHE 263 -10.096 32.353 57.606 1.00149.79 C ATOM 96 CD1 PHE 263 -10.186 33.202 58.685 1.00149.79 C ATOM 97 CD2 PHE 263 -9.728 31.045 57.817 1.00149.79 C ATOM 98 CE1 PHE 263 -9.915 32.753 59.956 1.00149.79 C ATOM 99 CE2 PHE 263 -9.456 30.590 59.085 1.00149.79 C ATOM 100 CZ PHE 263 -9.550 31.444 60.158 1.00149.79 C ATOM 101 C PHE 263 -9.458 33.802 54.218 1.00149.79 C ATOM 102 O PHE 263 -9.899 34.905 53.899 1.00149.79 O ATOM 103 N PRO 264 -9.211 32.851 53.357 1.00 72.09 N ATOM 104 CA PRO 264 -9.571 32.975 51.972 1.00 72.09 C ATOM 105 CD PRO 264 -8.108 31.928 53.552 1.00 72.09 C ATOM 106 CB PRO 264 -8.750 31.922 51.221 1.00 72.09 C ATOM 107 CG PRO 264 -8.175 31.013 52.322 1.00 72.09 C ATOM 108 C PRO 264 -11.051 32.856 51.760 1.00 72.09 C ATOM 109 O PRO 264 -11.535 33.345 50.740 1.00 72.09 O ATOM 110 N TYR 265 -11.793 32.214 52.690 1.00 94.16 N ATOM 111 CA TYR 265 -13.200 32.018 52.466 1.00 94.16 C ATOM 112 CB TYR 265 -13.596 30.547 52.246 1.00 94.16 C ATOM 113 CG TYR 265 -13.066 30.100 50.928 1.00 94.16 C ATOM 114 CD1 TYR 265 -11.752 29.715 50.787 1.00 94.16 C ATOM 115 CD2 TYR 265 -13.897 30.060 49.831 1.00 94.16 C ATOM 116 CE1 TYR 265 -11.274 29.300 49.565 1.00 94.16 C ATOM 117 CE2 TYR 265 -13.426 29.646 48.609 1.00 94.16 C ATOM 118 CZ TYR 265 -12.111 29.269 48.475 1.00 94.16 C ATOM 119 OH TYR 265 -11.631 28.844 47.219 1.00 94.16 O ATOM 120 C TYR 265 -13.990 32.494 53.646 1.00 94.16 C ATOM 121 O TYR 265 -13.577 32.356 54.795 1.00 94.16 O ATOM 122 N LYS 266 -15.182 33.058 53.364 1.00 74.66 N ATOM 123 CA LYS 266 -16.068 33.586 54.362 1.00 74.66 C ATOM 124 CB LYS 266 -17.333 34.197 53.737 1.00 74.66 C ATOM 125 CG LYS 266 -18.176 35.034 54.699 1.00 74.66 C ATOM 126 CD LYS 266 -19.324 35.756 53.993 1.00 74.66 C ATOM 127 CE LYS 266 -18.871 36.622 52.816 1.00 74.66 C ATOM 128 NZ LYS 266 -20.044 37.081 52.040 1.00 74.66 N ATOM 129 C LYS 266 -16.527 32.473 55.253 1.00 74.66 C ATOM 130 O LYS 266 -16.593 32.630 56.471 1.00 74.66 O ATOM 131 N SER 267 -16.856 31.309 54.658 1.00 61.66 N ATOM 132 CA SER 267 -17.386 30.201 55.401 1.00 61.66 C ATOM 133 CB SER 267 -17.728 28.996 54.512 1.00 61.66 C ATOM 134 OG SER 267 -18.245 27.943 55.310 1.00 61.66 O ATOM 135 C SER 267 -16.368 29.733 56.390 1.00 61.66 C ATOM 136 O SER 267 -16.710 29.372 57.516 1.00 61.66 O ATOM 137 N THR 268 -15.086 29.720 55.986 1.00 23.37 N ATOM 138 CA THR 268 -14.041 29.245 56.843 1.00 23.37 C ATOM 139 CB THR 268 -12.703 29.224 56.162 1.00 23.37 C ATOM 140 OG1 THR 268 -12.748 28.395 55.010 1.00 23.37 O ATOM 141 CG2 THR 268 -11.648 28.695 57.151 1.00 23.37 C ATOM 142 C THR 268 -13.939 30.157 58.025 1.00 23.37 C ATOM 143 O THR 268 -13.758 29.705 59.155 1.00 23.37 O ATOM 144 N LEU 269 -14.051 31.476 57.787 1.00 99.50 N ATOM 145 CA LEU 269 -13.931 32.447 58.834 1.00 99.50 C ATOM 146 CB LEU 269 -14.030 33.884 58.285 1.00 99.50 C ATOM 147 CG LEU 269 -13.919 35.009 59.336 1.00 99.50 C ATOM 148 CD1 LEU 269 -15.176 35.134 60.208 1.00 99.50 C ATOM 149 CD2 LEU 269 -12.638 34.852 60.171 1.00 99.50 C ATOM 150 C LEU 269 -15.045 32.219 59.804 1.00 99.50 C ATOM 151 O LEU 269 -14.848 32.267 61.017 1.00 99.50 O ATOM 152 N LYS 270 -16.248 31.931 59.283 1.00 85.37 N ATOM 153 CA LYS 270 -17.397 31.770 60.121 1.00 85.37 C ATOM 154 CB LYS 270 -18.666 31.451 59.309 1.00 85.37 C ATOM 155 CG LYS 270 -19.974 31.699 60.059 1.00 85.37 C ATOM 156 CD LYS 270 -21.204 31.683 59.147 1.00 85.37 C ATOM 157 CE LYS 270 -22.474 32.233 59.801 1.00 85.37 C ATOM 158 NZ LYS 270 -22.843 31.409 60.973 1.00 85.37 N ATOM 159 C LYS 270 -17.152 30.630 61.059 1.00 85.37 C ATOM 160 O LYS 270 -17.433 30.724 62.253 1.00 85.37 O ATOM 161 N HIS 271 -16.596 29.520 60.540 1.00 53.61 N ATOM 162 CA HIS 271 -16.350 28.367 61.356 1.00 53.61 C ATOM 163 ND1 HIS 271 -16.359 24.969 61.603 1.00 53.61 N ATOM 164 CG HIS 271 -15.457 25.989 61.395 1.00 53.61 C ATOM 165 CB HIS 271 -15.727 27.206 60.562 1.00 53.61 C ATOM 166 NE2 HIS 271 -14.512 24.422 62.716 1.00 53.61 N ATOM 167 CD2 HIS 271 -14.336 25.639 62.083 1.00 53.61 C ATOM 168 CE1 HIS 271 -15.742 24.059 62.399 1.00 53.61 C ATOM 169 C HIS 271 -15.373 28.756 62.417 1.00 53.61 C ATOM 170 O HIS 271 -15.538 28.415 63.587 1.00 53.61 O ATOM 171 N HIS 272 -14.325 29.502 62.026 1.00 37.39 N ATOM 172 CA HIS 272 -13.318 29.892 62.965 1.00 37.39 C ATOM 173 ND1 HIS 272 -10.139 30.214 63.756 1.00 37.39 N ATOM 174 CG HIS 272 -11.113 31.076 63.303 1.00 37.39 C ATOM 175 CB HIS 272 -12.184 30.707 62.321 1.00 37.39 C ATOM 176 NE2 HIS 272 -9.786 32.162 64.766 1.00 37.39 N ATOM 177 CD2 HIS 272 -10.882 32.262 63.930 1.00 37.39 C ATOM 178 CE1 HIS 272 -9.373 30.915 64.629 1.00 37.39 C ATOM 179 C HIS 272 -13.953 30.740 64.017 1.00 37.39 C ATOM 180 O HIS 272 -13.724 30.539 65.209 1.00 37.39 O ATOM 181 N MET 273 -14.782 31.716 63.604 1.00115.93 N ATOM 182 CA MET 273 -15.436 32.538 64.576 1.00115.93 C ATOM 183 CB MET 273 -16.398 33.570 63.961 1.00115.93 C ATOM 184 CG MET 273 -17.129 34.416 65.008 1.00115.93 C ATOM 185 SD MET 273 -16.068 35.557 65.945 1.00115.93 S ATOM 186 CE MET 273 -15.743 36.667 64.546 1.00115.93 C ATOM 187 C MET 273 -16.253 31.613 65.460 1.00115.93 C ATOM 188 O MET 273 -15.988 31.586 66.693 1.00115.93 O ATOM 189 OXT MET 273 -17.151 30.920 64.912 1.00115.93 O