EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:18 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.2160 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1420.78052 REMARK 6 GA341 score: 0.99014 REMARK 6 Normalized DOPE score: -0.95459 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 258 -3.789 39.774 70.254 1.00 88.69 N ATOM 2 CA GLU 258 -4.812 40.848 70.259 1.00 88.69 C ATOM 3 CB GLU 258 -4.298 42.078 71.022 1.00 88.69 C ATOM 4 CG GLU 258 -4.111 41.837 72.524 1.00 88.69 C ATOM 5 CD GLU 258 -5.487 41.677 73.157 1.00 88.69 C ATOM 6 OE1 GLU 258 -6.416 42.430 72.774 1.00 88.69 O ATOM 7 OE2 GLU 258 -5.620 40.781 74.039 1.00 88.69 O ATOM 8 C GLU 258 -5.210 41.267 68.879 1.00 88.69 C ATOM 9 O GLU 258 -5.756 40.471 68.114 1.00 88.69 O ATOM 10 N LYS 259 -4.962 42.545 68.530 1.00109.78 N ATOM 11 CA LYS 259 -5.393 43.022 67.247 1.00109.78 C ATOM 12 CB LYS 259 -6.327 44.233 67.387 1.00109.78 C ATOM 13 CG LYS 259 -7.622 43.847 68.104 1.00109.78 C ATOM 14 CD LYS 259 -8.373 45.015 68.744 1.00109.78 C ATOM 15 CE LYS 259 -7.892 45.346 70.163 1.00109.78 C ATOM 16 NZ LYS 259 -8.291 44.288 71.121 1.00109.78 N ATOM 17 C LYS 259 -4.209 43.444 66.433 1.00109.78 C ATOM 18 O LYS 259 -3.861 44.622 66.379 1.00109.78 O ATOM 19 N PRO 260 -3.580 42.493 65.804 1.00 89.17 N ATOM 20 CA PRO 260 -2.458 42.764 64.939 1.00 89.17 C ATOM 21 CD PRO 260 -3.516 41.153 66.364 1.00 89.17 C ATOM 22 CB PRO 260 -1.650 41.467 64.868 1.00 89.17 C ATOM 23 CG PRO 260 -2.600 40.381 65.404 1.00 89.17 C ATOM 24 C PRO 260 -2.825 43.293 63.584 1.00 89.17 C ATOM 25 O PRO 260 -1.925 43.734 62.866 1.00 89.17 O ATOM 26 N PHE 261 -4.117 43.241 63.200 1.00132.76 N ATOM 27 CA PHE 261 -4.524 43.610 61.871 1.00132.76 C ATOM 28 CB PHE 261 -5.666 42.731 61.339 1.00132.76 C ATOM 29 CG PHE 261 -4.973 41.475 60.976 1.00132.76 C ATOM 30 CD1 PHE 261 -4.437 41.359 59.716 1.00132.76 C ATOM 31 CD2 PHE 261 -4.822 40.441 61.872 1.00132.76 C ATOM 32 CE1 PHE 261 -3.771 40.222 59.338 1.00132.76 C ATOM 33 CE2 PHE 261 -4.154 39.300 61.498 1.00132.76 C ATOM 34 CZ PHE 261 -3.631 39.188 60.229 1.00132.76 C ATOM 35 C PHE 261 -4.966 45.029 61.830 1.00132.76 C ATOM 36 O PHE 261 -5.997 45.388 62.391 1.00132.76 O ATOM 37 N THR 262 -4.208 45.861 61.088 1.00117.87 N ATOM 38 CA THR 262 -4.479 47.263 61.092 1.00117.87 C ATOM 39 CB THR 262 -3.256 48.058 61.435 0.50117.87 C ATOM 40 OG1 THR 262 -2.331 48.015 60.360 1.00117.87 O ATOM 41 CG2 THR 262 -2.610 47.409 62.673 1.00117.87 C ATOM 42 C THR 262 -4.928 47.685 59.730 1.00117.87 C ATOM 43 O THR 262 -4.386 47.251 58.714 1.00117.87 O ATOM 44 N CYS 263 -5.951 48.560 59.690 1.00 41.31 N ATOM 45 CA CYS 263 -6.474 49.068 58.456 1.00 41.31 C ATOM 46 CB CYS 263 -7.988 49.345 58.517 1.00 41.31 C ATOM 47 SG CYS 263 -8.634 50.009 56.957 1.00 41.31 S ATOM 48 C CYS 263 -5.760 50.352 58.168 1.00 41.31 C ATOM 49 O CYS 263 -5.515 51.156 59.066 1.00 41.31 O ATOM 50 N THR 264 -5.385 50.564 56.892 1.00118.36 N ATOM 51 CA THR 264 -4.627 51.721 56.509 1.00118.36 C ATOM 52 CB THR 264 -4.118 51.669 55.093 1.00118.36 C ATOM 53 OG1 THR 264 -5.207 51.665 54.182 1.00118.36 O ATOM 54 CG2 THR 264 -3.248 50.411 54.908 1.00118.36 C ATOM 55 C THR 264 -5.409 53.001 56.649 1.00118.36 C ATOM 56 O THR 264 -4.851 54.013 57.072 1.00118.36 O ATOM 57 N GLN 265 -6.697 53.043 56.240 1.00111.72 N ATOM 58 CA GLN 265 -7.333 54.330 56.333 1.00111.72 C ATOM 59 CB GLN 265 -8.669 54.459 55.596 1.00111.72 C ATOM 60 CG GLN 265 -9.151 55.914 55.633 1.00111.72 C ATOM 61 CD GLN 265 -10.613 55.988 55.234 1.00111.72 C ATOM 62 OE1 GLN 265 -11.020 56.877 54.491 1.00111.72 O ATOM 63 NE2 GLN 265 -11.434 55.040 55.763 1.00111.72 N ATOM 64 C GLN 265 -7.637 54.732 57.748 1.00111.72 C ATOM 65 O GLN 265 -7.208 55.792 58.204 1.00111.72 O ATOM 66 N CYS 266 -8.401 53.885 58.472 1.00 97.50 N ATOM 67 CA CYS 266 -8.840 54.182 59.811 1.00 97.50 C ATOM 68 CB CYS 266 -9.838 53.145 60.344 1.00 97.50 C ATOM 69 SG CYS 266 -11.306 52.979 59.301 1.00 97.50 S ATOM 70 C CYS 266 -7.679 54.105 60.735 1.00 97.50 C ATOM 71 O CYS 266 -7.531 54.913 61.653 1.00 97.50 O ATOM 72 N GLY 267 -6.827 53.092 60.513 1.00 22.35 N ATOM 73 CA GLY 267 -5.708 52.885 61.375 1.00 22.35 C ATOM 74 C GLY 267 -6.212 52.084 62.528 1.00 22.35 C ATOM 75 O GLY 267 -5.499 51.876 63.508 1.00 22.35 O ATOM 76 N LYS 268 -7.469 51.607 62.425 1.00162.60 N ATOM 77 CA LYS 268 -8.134 50.863 63.455 1.00162.60 C ATOM 78 CB LYS 268 -9.646 50.857 63.189 1.00162.60 C ATOM 79 CG LYS 268 -10.510 50.897 64.439 1.00162.60 C ATOM 80 CD LYS 268 -10.207 49.792 65.434 1.00162.60 C ATOM 81 CE LYS 268 -11.234 49.744 66.557 1.00162.60 C ATOM 82 NZ LYS 268 -11.608 51.122 66.945 1.00162.60 N ATOM 83 C LYS 268 -7.614 49.454 63.381 1.00162.60 C ATOM 84 O LYS 268 -7.316 48.966 62.291 1.00162.60 O ATOM 85 N SER 269 -7.479 48.749 64.525 1.00 96.22 N ATOM 86 CA SER 269 -6.919 47.424 64.415 1.00 96.22 C ATOM 87 CB SER 269 -5.619 47.220 65.209 1.00 96.22 C ATOM 88 OG SER 269 -5.882 47.267 66.604 1.00 96.22 O ATOM 89 C SER 269 -7.920 46.404 64.864 1.00 96.22 C ATOM 90 O SER 269 -8.804 46.690 65.663 1.00 96.22 O ATOM 91 N PHE 270 -7.799 45.170 64.316 1.00 70.95 N ATOM 92 CA PHE 270 -8.732 44.116 64.619 1.00 70.95 C ATOM 93 CB PHE 270 -9.699 43.809 63.458 1.00 70.95 C ATOM 94 CG PHE 270 -10.354 45.089 63.061 1.00 70.95 C ATOM 95 CD1 PHE 270 -9.728 45.915 62.153 1.00 70.95 C ATOM 96 CD2 PHE 270 -11.571 45.484 63.574 1.00 70.95 C ATOM 97 CE1 PHE 270 -10.294 47.102 61.759 1.00 70.95 C ATOM 98 CE2 PHE 270 -12.141 46.675 63.188 1.00 70.95 C ATOM 99 CZ PHE 270 -11.504 47.490 62.277 1.00 70.95 C ATOM 100 C PHE 270 -7.944 42.862 64.876 1.00 70.95 C ATOM 101 O PHE 270 -6.797 42.725 64.461 1.00 70.95 O ATOM 102 N SER 271 -8.553 41.912 65.610 1.00 84.36 N ATOM 103 CA SER 271 -7.890 40.682 65.942 1.00 84.36 C ATOM 104 CB SER 271 -8.624 39.881 67.028 1.00 84.36 C ATOM 105 OG SER 271 -7.887 38.709 67.331 1.00 84.36 O ATOM 106 C SER 271 -7.784 39.780 64.747 1.00 84.36 C ATOM 107 O SER 271 -6.855 38.975 64.657 1.00 84.36 O ATOM 108 N HIS 272 -8.735 39.868 63.797 1.00 73.33 N ATOM 109 CA HIS 272 -8.722 38.920 62.717 1.00 73.33 C ATOM 110 ND1 HIS 272 -10.212 37.221 65.042 1.00 73.33 N ATOM 111 CG HIS 272 -10.135 37.006 63.680 1.00 73.33 C ATOM 112 CB HIS 272 -10.016 38.084 62.639 1.00 73.33 C ATOM 113 NE2 HIS 272 -10.300 35.020 64.747 1.00 73.33 N ATOM 114 CD2 HIS 272 -10.190 35.656 63.520 1.00 73.33 C ATOM 115 CE1 HIS 272 -10.307 36.003 65.627 1.00 73.33 C ATOM 116 C HIS 272 -8.567 39.613 61.399 1.00 73.33 C ATOM 117 O HIS 272 -9.176 40.651 61.147 1.00 73.33 O ATOM 118 N SER 273 -7.743 39.011 60.513 1.00 32.14 N ATOM 119 CA SER 273 -7.439 39.502 59.196 1.00 32.14 C ATOM 120 CB SER 273 -6.373 38.648 58.480 1.00 32.14 C ATOM 121 OG SER 273 -6.844 37.322 58.313 1.00 32.14 O ATOM 122 C SER 273 -8.671 39.492 58.340 1.00 32.14 C ATOM 123 O SER 273 -8.863 40.389 57.522 1.00 32.14 O ATOM 124 N ALA 274 -9.533 38.462 58.502 1.00 23.34 N ATOM 125 CA ALA 274 -10.745 38.330 57.735 1.00 23.34 C ATOM 126 CB ALA 274 -11.513 37.027 58.044 1.00 23.34 C ATOM 127 C ALA 274 -11.655 39.481 58.058 1.00 23.34 C ATOM 128 O ALA 274 -12.281 40.057 57.171 1.00 23.34 O ATOM 129 N ASN 275 -11.739 39.850 59.351 1.00 34.66 N ATOM 130 CA ASN 275 -12.599 40.923 59.775 1.00 34.66 C ATOM 131 CB ASN 275 -12.596 41.124 61.296 1.00 34.66 C ATOM 132 CG ASN 275 -13.237 39.898 61.910 1.00 34.66 C ATOM 133 OD1 ASN 275 -13.746 39.032 61.199 1.00 34.66 O ATOM 134 ND2 ASN 275 -13.224 39.819 63.268 1.00 34.66 N ATOM 135 C ASN 275 -12.094 42.193 59.186 1.00 34.66 C ATOM 136 O ASN 275 -12.856 43.091 58.836 1.00 34.66 O ATOM 137 N LEU 276 -10.766 42.310 59.091 1.00 49.02 N ATOM 138 CA LEU 276 -10.180 43.506 58.585 1.00 49.02 C ATOM 139 CB LEU 276 -8.653 43.414 58.634 0.50 49.02 C ATOM 140 CG LEU 276 -7.907 44.667 58.168 0.50 49.02 C ATOM 141 CD1 LEU 276 -8.269 45.876 59.047 0.50 49.02 C ATOM 142 CD2 LEU 276 -6.393 44.397 58.116 0.50 49.02 C ATOM 143 C LEU 276 -10.603 43.695 57.154 1.00 49.02 C ATOM 144 O LEU 276 -10.998 44.792 56.761 1.00 49.02 O ATOM 145 N ASN 277 -10.564 42.620 56.343 1.00 33.08 N ATOM 146 CA ASN 277 -10.878 42.739 54.944 1.00 33.08 C ATOM 147 CB ASN 277 -10.846 41.393 54.189 1.00 33.08 C ATOM 148 CG ASN 277 -9.415 40.880 54.107 1.00 33.08 C ATOM 149 OD1 ASN 277 -8.463 41.595 54.416 1.00 33.08 O ATOM 150 ND2 ASN 277 -9.258 39.604 53.662 1.00 33.08 N ATOM 151 C ASN 277 -12.280 43.227 54.806 1.00 33.08 C ATOM 152 O ASN 277 -12.568 44.133 54.021 1.00 33.08 O ATOM 153 N GLN 278 -13.199 42.632 55.576 1.00 72.87 N ATOM 154 CA GLN 278 -14.579 42.971 55.461 1.00 72.87 C ATOM 155 CB GLN 278 -15.456 42.084 56.351 1.00 72.87 C ATOM 156 CG GLN 278 -15.198 40.583 56.148 1.00 72.87 C ATOM 157 CD GLN 278 -15.671 40.118 54.771 1.00 72.87 C ATOM 158 OE1 GLN 278 -15.618 40.854 53.788 1.00 72.87 O ATOM 159 NE2 GLN 278 -16.137 38.841 54.699 1.00 72.87 N ATOM 160 C GLN 278 -14.731 44.389 55.902 1.00 72.87 C ATOM 161 O GLN 278 -15.483 45.167 55.312 1.00 72.87 O ATOM 162 N HIS 279 -13.983 44.758 56.959 1.00 58.58 N ATOM 163 CA HIS 279 -14.071 46.070 57.528 1.00 58.58 C ATOM 164 ND1 HIS 279 -14.347 48.396 59.593 1.00 58.58 N ATOM 165 CG HIS 279 -13.224 47.722 59.180 1.00 58.58 C ATOM 166 CB HIS 279 -13.204 46.279 58.784 1.00 58.58 C ATOM 167 NE2 HIS 279 -12.698 49.883 59.554 1.00 58.58 N ATOM 168 CD2 HIS 279 -12.222 48.645 59.165 1.00 58.58 C ATOM 169 CE1 HIS 279 -13.978 49.687 59.802 1.00 58.58 C ATOM 170 C HIS 279 -13.657 47.093 56.531 1.00 58.58 C ATOM 171 O HIS 279 -14.238 48.178 56.486 1.00 58.58 O ATOM 172 N MET 280 -12.637 46.799 55.709 1.00 78.20 N ATOM 173 CA MET 280 -12.216 47.800 54.777 1.00 78.20 C ATOM 174 CB MET 280 -10.852 47.494 54.106 1.00 78.20 C ATOM 175 CG MET 280 -10.765 46.166 53.341 1.00 78.20 C ATOM 176 SD MET 280 -9.178 45.880 52.481 1.00 78.20 S ATOM 177 CE MET 280 -9.291 44.074 52.342 1.00 78.20 C ATOM 178 C MET 280 -13.262 48.000 53.682 1.00 78.20 C ATOM 179 O MET 280 -12.818 48.115 52.513 1.00 78.20 O ATOM 180 OXT MET 280 -14.490 48.064 53.973 1.00 78.20 O