EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:46 REMARK 6 MODELLER OBJECTIVE FUNCTION: 77.1677 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.130 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1516.37488 REMARK 6 GA341 score: 0.95003 REMARK 6 Normalized DOPE score: 0.08868 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 39.1% ATOM 1 N GLU 175 -10.017 41.600 65.561 1.00 85.89 N ATOM 2 CA GLU 175 -9.695 42.897 64.933 1.00 85.89 C ATOM 3 CB GLU 175 -9.173 43.906 65.968 1.00 85.89 C ATOM 4 CG GLU 175 -10.264 44.655 66.734 1.00 85.89 C ATOM 5 CD GLU 175 -10.812 45.718 65.789 1.00 85.89 C ATOM 6 OE1 GLU 175 -11.330 45.338 64.707 1.00 85.89 O ATOM 7 OE2 GLU 175 -10.705 46.927 66.133 1.00 85.89 O ATOM 8 C GLU 175 -8.650 42.790 63.885 1.00 85.89 C ATOM 9 O GLU 175 -8.364 41.717 63.357 1.00 85.89 O ATOM 10 N LYS 176 -8.073 43.953 63.542 1.00 58.94 N ATOM 11 CA LYS 176 -7.030 43.978 62.572 1.00 58.94 C ATOM 12 CB LYS 176 -7.244 45.078 61.521 1.00 58.94 C ATOM 13 CG LYS 176 -8.481 44.820 60.657 1.00 58.94 C ATOM 14 CD LYS 176 -8.937 46.026 59.834 1.00 58.94 C ATOM 15 CE LYS 176 -10.170 45.736 58.975 1.00 58.94 C ATOM 16 NZ LYS 176 -10.721 46.996 58.430 1.00 58.94 N ATOM 17 C LYS 176 -5.782 44.283 63.331 1.00 58.94 C ATOM 18 O LYS 176 -5.427 45.433 63.577 1.00 58.94 O ATOM 19 N PRO 177 -5.125 43.233 63.714 1.00 73.89 N ATOM 20 CA PRO 177 -3.923 43.265 64.500 1.00 73.89 C ATOM 21 CD PRO 177 -5.478 41.893 63.281 1.00 73.89 C ATOM 22 CB PRO 177 -3.639 41.809 64.853 1.00 73.89 C ATOM 23 CG PRO 177 -4.277 41.026 63.691 1.00 73.89 C ATOM 24 C PRO 177 -2.757 43.876 63.792 1.00 73.89 C ATOM 25 O PRO 177 -1.794 44.238 64.466 1.00 73.89 O ATOM 26 N PHE 178 -2.786 43.984 62.451 1.00 61.53 N ATOM 27 CA PHE 178 -1.602 44.453 61.793 1.00 61.53 C ATOM 28 CB PHE 178 -1.296 43.658 60.517 1.00 61.53 C ATOM 29 CG PHE 178 -1.187 42.245 60.978 1.00 61.53 C ATOM 30 CD1 PHE 178 -2.314 41.461 61.075 1.00 61.53 C ATOM 31 CD2 PHE 178 0.028 41.707 61.328 1.00 61.53 C ATOM 32 CE1 PHE 178 -2.233 40.158 61.508 1.00 61.53 C ATOM 33 CE2 PHE 178 0.114 40.404 61.762 1.00 61.53 C ATOM 34 CZ PHE 178 -1.014 39.625 61.850 1.00 61.53 C ATOM 35 C PHE 178 -1.790 45.887 61.434 1.00 61.53 C ATOM 36 O PHE 178 -2.749 46.244 60.755 1.00 61.53 O ATOM 37 N SER 179 -0.849 46.750 61.868 1.00 34.47 N ATOM 38 CA SER 179 -1.027 48.149 61.620 1.00 34.47 C ATOM 39 CB SER 179 -1.046 48.991 62.905 0.50 34.47 C ATOM 40 OG SER 179 -1.230 50.362 62.584 1.00 34.47 O ATOM 41 C SER 179 0.094 48.658 60.776 1.00 34.47 C ATOM 42 O SER 179 1.240 48.222 60.889 1.00 34.47 O ATOM 43 N CYS 180 -0.236 49.623 59.895 1.00 34.50 N ATOM 44 CA CYS 180 0.734 50.221 59.028 1.00 34.50 C ATOM 45 CB CYS 180 0.151 50.690 57.685 1.00 34.50 C ATOM 46 SG CYS 180 1.415 51.442 56.619 1.00 34.50 S ATOM 47 C CYS 180 1.270 51.424 59.729 1.00 34.50 C ATOM 48 O CYS 180 0.522 52.237 60.271 1.00 34.50 O ATOM 49 N THR 181 2.607 51.553 59.742 1.00107.65 N ATOM 50 CA THR 181 3.265 52.618 60.435 1.00107.65 C ATOM 51 CB THR 181 4.760 52.465 60.437 1.00107.65 C ATOM 52 OG1 THR 181 5.358 53.487 61.221 1.00107.65 O ATOM 53 CG2 THR 181 5.272 52.531 58.989 1.00107.65 C ATOM 54 C THR 181 2.940 53.953 59.834 1.00107.65 C ATOM 55 O THR 181 2.704 54.912 60.568 1.00107.65 O ATOM 56 N GLN 182 2.960 54.073 58.490 1.00143.58 N ATOM 57 CA GLN 182 2.757 55.383 57.936 1.00143.58 C ATOM 58 CB GLN 182 3.148 55.457 56.446 1.00143.58 C ATOM 59 CG GLN 182 2.248 54.666 55.494 1.00143.58 C ATOM 60 CD GLN 182 1.202 55.625 54.942 1.00143.58 C ATOM 61 OE1 GLN 182 1.171 56.799 55.308 1.00143.58 O ATOM 62 NE2 GLN 182 0.317 55.115 54.045 1.00143.58 N ATOM 63 C GLN 182 1.342 55.861 58.090 1.00143.58 C ATOM 64 O GLN 182 1.108 56.925 58.663 1.00143.58 O ATOM 65 N CYS 183 0.362 55.087 57.576 1.00 53.96 N ATOM 66 CA CYS 183 -1.019 55.481 57.647 1.00 53.96 C ATOM 67 CB CYS 183 -1.906 54.724 56.638 1.00 53.96 C ATOM 68 SG CYS 183 -1.842 52.920 56.830 1.00 53.96 S ATOM 69 C CYS 183 -1.552 55.280 59.030 1.00 53.96 C ATOM 70 O CYS 183 -2.254 56.131 59.572 1.00 53.96 O ATOM 71 N GLY 184 -1.205 54.139 59.654 1.00 23.35 N ATOM 72 CA GLY 184 -1.701 53.857 60.969 1.00 23.35 C ATOM 73 C GLY 184 -2.959 53.049 60.850 1.00 23.35 C ATOM 74 O GLY 184 -3.606 52.750 61.852 1.00 23.35 O ATOM 75 N LYS 185 -3.342 52.671 59.613 1.00 50.86 N ATOM 76 CA LYS 185 -4.533 51.893 59.421 1.00 50.86 C ATOM 77 CB LYS 185 -5.025 51.879 57.965 1.00 50.86 C ATOM 78 CG LYS 185 -6.426 51.298 57.815 1.00 50.86 C ATOM 79 CD LYS 185 -7.080 51.637 56.480 1.00 50.86 C ATOM 80 CE LYS 185 -8.538 51.191 56.391 1.00 50.86 C ATOM 81 NZ LYS 185 -9.168 51.791 55.195 1.00 50.86 N ATOM 82 C LYS 185 -4.249 50.483 59.846 1.00 50.86 C ATOM 83 O LYS 185 -3.099 50.045 59.834 1.00 50.86 O ATOM 84 N SER 186 -5.297 49.737 60.253 1.00 79.76 N ATOM 85 CA SER 186 -5.101 48.385 60.707 1.00 79.76 C ATOM 86 CB SER 186 -5.775 48.089 62.060 1.00 79.76 C ATOM 87 OG SER 186 -7.185 48.214 61.943 1.00 79.76 O ATOM 88 C SER 186 -5.707 47.455 59.704 1.00 79.76 C ATOM 89 O SER 186 -6.689 47.796 59.048 1.00 79.76 O ATOM 90 N PHE 187 -5.124 46.243 59.555 1.00 59.46 N ATOM 91 CA PHE 187 -5.630 45.318 58.580 1.00 59.46 C ATOM 92 CB PHE 187 -4.707 45.180 57.352 1.00 59.46 C ATOM 93 CG PHE 187 -4.616 46.526 56.702 1.00 59.46 C ATOM 94 CD1 PHE 187 -3.658 47.435 57.095 1.00 59.46 C ATOM 95 CD2 PHE 187 -5.491 46.890 55.701 1.00 59.46 C ATOM 96 CE1 PHE 187 -3.576 48.675 56.500 1.00 59.46 C ATOM 97 CE2 PHE 187 -5.416 48.128 55.102 1.00 59.46 C ATOM 98 CZ PHE 187 -4.454 49.025 55.499 1.00 59.46 C ATOM 99 C PHE 187 -5.788 43.966 59.218 1.00 59.46 C ATOM 100 O PHE 187 -5.117 43.634 60.193 1.00 59.46 O ATOM 101 N ARG 188 -6.733 43.166 58.685 1.00155.70 N ATOM 102 CA ARG 188 -7.053 41.856 59.183 1.00155.70 C ATOM 103 CB ARG 188 -8.266 41.237 58.459 1.00155.70 C ATOM 104 CG ARG 188 -8.955 40.069 59.182 1.00155.70 C ATOM 105 CD ARG 188 -8.102 38.809 59.366 1.00155.70 C ATOM 106 NE ARG 188 -7.674 38.758 60.798 1.00155.70 N ATOM 107 CZ ARG 188 -7.418 37.566 61.417 1.00155.70 C ATOM 108 NH1 ARG 188 -7.566 36.393 60.737 1.00155.70 N ATOM 109 NH2 ARG 188 -7.010 37.541 62.721 1.00155.70 N ATOM 110 C ARG 188 -5.895 40.929 58.966 1.00155.70 C ATOM 111 O ARG 188 -5.596 40.098 59.821 1.00155.70 O ATOM 112 N HIS 189 -5.207 41.034 57.809 1.00 72.03 N ATOM 113 CA HIS 189 -4.170 40.073 57.545 1.00 72.03 C ATOM 114 ND1 HIS 189 -6.677 38.669 55.387 1.00 72.03 N ATOM 115 CG HIS 189 -5.606 38.433 56.219 1.00 72.03 C ATOM 116 CB HIS 189 -4.366 39.272 56.246 1.00 72.03 C ATOM 117 NE2 HIS 189 -7.191 36.870 56.587 1.00 72.03 N ATOM 118 CD2 HIS 189 -5.938 37.331 56.947 1.00 72.03 C ATOM 119 CE1 HIS 189 -7.595 37.705 55.647 1.00 72.03 C ATOM 120 C HIS 189 -2.856 40.766 57.386 1.00 72.03 C ATOM 121 O HIS 189 -2.781 41.886 56.885 1.00 72.03 O ATOM 122 N SER 190 -1.777 40.079 57.816 1.00 28.61 N ATOM 123 CA SER 190 -0.437 40.582 57.735 1.00 28.61 C ATOM 124 CB SER 190 0.592 39.676 58.438 1.00 28.61 C ATOM 125 OG SER 190 0.645 38.404 57.808 1.00 28.61 O ATOM 126 C SER 190 -0.031 40.687 56.300 1.00 28.61 C ATOM 127 O SER 190 0.676 41.619 55.919 1.00 28.61 O ATOM 128 N LEU 191 -0.467 39.729 55.459 1.00114.10 N ATOM 129 CA LEU 191 -0.086 39.738 54.076 1.00114.10 C ATOM 130 CB LEU 191 -0.640 38.542 53.287 1.00114.10 C ATOM 131 CG LEU 191 -0.294 38.583 51.788 1.00114.10 C ATOM 132 CD1 LEU 191 1.226 38.521 51.570 1.00114.10 C ATOM 133 CD2 LEU 191 -1.054 37.496 51.012 1.00114.10 C ATOM 134 C LEU 191 -0.637 40.972 53.448 1.00114.10 C ATOM 135 O LEU 191 0.033 41.624 52.649 1.00114.10 O ATOM 136 N PHE 192 -1.885 41.325 53.804 1.00 75.42 N ATOM 137 CA PHE 192 -2.524 42.479 53.244 1.00 75.42 C ATOM 138 CB PHE 192 -3.974 42.666 53.719 1.00 75.42 C ATOM 139 CG PHE 192 -4.536 43.807 52.941 1.00 75.42 C ATOM 140 CD1 PHE 192 -5.146 43.593 51.725 1.00 75.42 C ATOM 141 CD2 PHE 192 -4.441 45.094 53.418 1.00 75.42 C ATOM 142 CE1 PHE 192 -5.663 44.642 51.002 1.00 75.42 C ATOM 143 CE2 PHE 192 -4.957 46.147 52.699 1.00 75.42 C ATOM 144 CZ PHE 192 -5.571 45.924 51.490 1.00 75.42 C ATOM 145 C PHE 192 -1.748 43.680 53.672 1.00 75.42 C ATOM 146 O PHE 192 -1.576 44.624 52.903 1.00 75.42 O ATOM 147 N LEU 193 -1.264 43.679 54.926 1.00 37.56 N ATOM 148 CA LEU 193 -0.511 44.799 55.408 1.00 37.56 C ATOM 149 CB LEU 193 -0.033 44.617 56.860 0.50 37.56 C ATOM 150 CG LEU 193 0.783 45.805 57.399 0.50 37.56 C ATOM 151 CD1 LEU 193 -0.054 47.090 57.475 0.50 37.56 C ATOM 152 CD2 LEU 193 1.461 45.452 58.731 0.50 37.56 C ATOM 153 C LEU 193 0.706 44.938 54.552 1.00 37.56 C ATOM 154 O LEU 193 1.092 46.049 54.189 1.00 37.56 O ATOM 155 N LYS 194 1.327 43.802 54.182 1.00 87.01 N ATOM 156 CA LYS 194 2.538 43.837 53.410 1.00 87.01 C ATOM 157 CB LYS 194 3.052 42.433 53.040 1.00 87.01 C ATOM 158 CG LYS 194 3.738 41.686 54.182 1.00 87.01 C ATOM 159 CD LYS 194 5.037 42.359 54.629 1.00 87.01 C ATOM 160 CE LYS 194 5.747 41.642 55.781 1.00 87.01 C ATOM 161 NZ LYS 194 7.029 42.315 56.091 1.00 87.01 N ATOM 162 C LYS 194 2.292 44.529 52.108 1.00 87.01 C ATOM 163 O LYS 194 3.023 45.447 51.739 1.00 87.01 O ATOM 164 N GLN 195 1.243 44.118 51.375 1.00 29.16 N ATOM 165 CA GLN 195 1.010 44.710 50.091 1.00 29.16 C ATOM 166 CB GLN 195 -0.098 44.012 49.280 1.00 29.16 C ATOM 167 CG GLN 195 0.298 42.605 48.819 1.00 29.16 C ATOM 168 CD GLN 195 -0.798 42.052 47.913 1.00 29.16 C ATOM 169 OE1 GLN 195 -1.711 42.767 47.501 1.00 29.16 O ATOM 170 NE2 GLN 195 -0.698 40.738 47.576 1.00 29.16 N ATOM 171 C GLN 195 0.651 46.148 50.274 1.00 29.16 C ATOM 172 O GLN 195 1.079 47.005 49.503 1.00 29.16 O ATOM 173 N HIS 196 -0.138 46.456 51.318 1.00 39.59 N ATOM 174 CA HIS 196 -0.538 47.814 51.532 1.00 39.59 C ATOM 175 ND1 HIS 196 -2.794 50.117 52.480 1.00 39.59 N ATOM 176 CG HIS 196 -1.762 49.422 53.070 1.00 39.59 C ATOM 177 CB HIS 196 -1.418 47.989 52.781 1.00 39.59 C ATOM 178 NE2 HIS 196 -1.805 51.524 53.892 1.00 39.59 N ATOM 179 CD2 HIS 196 -1.170 50.295 53.930 1.00 39.59 C ATOM 180 CE1 HIS 196 -2.774 51.368 53.007 1.00 39.59 C ATOM 181 C HIS 196 0.681 48.650 51.738 1.00 39.59 C ATOM 182 O HIS 196 0.830 49.699 51.115 1.00 39.59 O ATOM 183 N MET 197 1.607 48.200 52.602 1.00 95.30 N ATOM 184 CA MET 197 2.764 49.004 52.855 1.00 95.30 C ATOM 185 CB MET 197 3.281 48.874 54.301 1.00 95.30 C ATOM 186 CG MET 197 4.446 49.810 54.624 1.00 95.30 C ATOM 187 SD MET 197 3.992 51.567 54.723 1.00 95.30 S ATOM 188 CE MET 197 5.710 52.161 54.754 1.00 95.30 C ATOM 189 C MET 197 3.879 48.547 51.921 1.00 95.30 C ATOM 190 O MET 197 4.985 48.240 52.437 1.00 95.30 O ATOM 191 OXT MET 197 3.647 48.501 50.683 1.00 95.30 O