EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:10 REMARK 6 MODELLER OBJECTIVE FUNCTION: 81.7126 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 41.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1667.90344 REMARK 6 GA341 score: 0.78668 REMARK 6 Normalized DOPE score: -0.64649 REMARK 6 TEMPLATE: 1llmC01 101:C - 124:C MODELS 1: - 24: AT 41.7% ATOM 1 N GLU 175 -7.282 50.594 53.039 1.00 83.65 N ATOM 2 CA GLU 175 -7.299 49.439 53.965 1.00 83.65 C ATOM 3 CB GLU 175 -7.161 48.120 53.188 1.00 83.65 C ATOM 4 CG GLU 175 -8.404 47.742 52.382 1.00 83.65 C ATOM 5 CD GLU 175 -9.475 47.338 53.382 1.00 83.65 C ATOM 6 OE1 GLU 175 -10.132 48.248 53.956 1.00 83.65 O ATOM 7 OE2 GLU 175 -9.640 46.108 53.593 1.00 83.65 O ATOM 8 C GLU 175 -6.174 49.516 54.939 1.00 83.65 C ATOM 9 O GLU 175 -5.261 50.327 54.781 1.00 83.65 O ATOM 10 N LYS 176 -6.223 48.680 55.994 1.00 93.48 N ATOM 11 CA LYS 176 -5.161 48.703 56.958 1.00 93.48 C ATOM 12 CB LYS 176 -5.634 49.078 58.369 1.00 93.48 C ATOM 13 CG LYS 176 -6.418 50.388 58.431 1.00 93.48 C ATOM 14 CD LYS 176 -7.790 50.265 57.763 1.00 93.48 C ATOM 15 CE LYS 176 -8.690 51.488 57.932 1.00 93.48 C ATOM 16 NZ LYS 176 -10.034 51.205 57.374 1.00 93.48 N ATOM 17 C LYS 176 -4.643 47.304 57.070 1.00 93.48 C ATOM 18 O LYS 176 -5.230 46.455 57.738 1.00 93.48 O ATOM 19 N PRO 177 -3.555 47.053 56.410 1.00 80.75 N ATOM 20 CA PRO 177 -2.939 45.754 56.422 1.00 80.75 C ATOM 21 CD PRO 177 -3.239 47.795 55.202 1.00 80.75 C ATOM 22 CB PRO 177 -2.039 45.704 55.180 1.00 80.75 C ATOM 23 CG PRO 177 -1.933 47.164 54.705 1.00 80.75 C ATOM 24 C PRO 177 -2.230 45.365 57.685 1.00 80.75 C ATOM 25 O PRO 177 -1.963 44.173 57.850 1.00 80.75 O ATOM 26 N PHE 178 -1.890 46.305 58.586 1.00 61.86 N ATOM 27 CA PHE 178 -1.107 45.861 59.707 1.00 61.86 C ATOM 28 CB PHE 178 0.166 46.693 59.920 1.00 61.86 C ATOM 29 CG PHE 178 0.959 46.525 58.672 1.00 61.86 C ATOM 30 CD1 PHE 178 0.751 47.375 57.611 1.00 61.86 C ATOM 31 CD2 PHE 178 1.890 45.519 58.548 1.00 61.86 C ATOM 32 CE1 PHE 178 1.466 47.237 56.446 1.00 61.86 C ATOM 33 CE2 PHE 178 2.607 45.377 57.383 1.00 61.86 C ATOM 34 CZ PHE 178 2.399 46.236 56.331 1.00 61.86 C ATOM 35 C PHE 178 -1.926 45.930 60.951 1.00 61.86 C ATOM 36 O PHE 178 -2.507 46.965 61.266 1.00 61.86 O ATOM 37 N THR 179 -1.958 44.813 61.713 1.00102.72 N ATOM 38 CA THR 179 -2.790 44.739 62.879 1.00102.72 C ATOM 39 CB THR 179 -3.698 43.546 62.881 0.50102.72 C ATOM 40 OG1 THR 179 -4.610 43.623 63.968 1.00102.72 O ATOM 41 CG2 THR 179 -2.832 42.276 62.990 1.00102.72 C ATOM 42 C THR 179 -1.958 44.624 64.116 1.00102.72 C ATOM 43 O THR 179 -0.917 43.967 64.132 1.00102.72 O ATOM 44 N CYS 180 -2.434 45.272 65.198 1.00 40.38 N ATOM 45 CA CYS 180 -1.782 45.236 66.475 1.00 40.38 C ATOM 46 CB CYS 180 -2.077 46.479 67.337 1.00 40.38 C ATOM 47 SG CYS 180 -1.252 46.431 68.957 1.00 40.38 S ATOM 48 C CYS 180 -2.328 44.047 67.193 1.00 40.38 C ATOM 49 O CYS 180 -3.537 43.834 67.244 1.00 40.38 O ATOM 50 N THR 181 -1.430 43.223 67.758 1.00 42.75 N ATOM 51 CA THR 181 -1.814 42.007 68.409 1.00 42.75 C ATOM 52 CB THR 181 -0.621 41.222 68.874 1.00 42.75 C ATOM 53 OG1 THR 181 0.216 40.900 67.773 1.00 42.75 O ATOM 54 CG2 THR 181 -1.112 39.937 69.562 1.00 42.75 C ATOM 55 C THR 181 -2.648 42.276 69.623 1.00 42.75 C ATOM 56 O THR 181 -3.656 41.603 69.845 1.00 42.75 O ATOM 57 N GLN 182 -2.222 43.228 70.479 1.00133.20 N ATOM 58 CA GLN 182 -2.958 43.417 71.698 1.00133.20 C ATOM 59 CB GLN 182 -2.214 44.300 72.718 1.00133.20 C ATOM 60 CG GLN 182 -2.811 44.303 74.134 1.00133.20 C ATOM 61 CD GLN 182 -4.054 45.189 74.165 1.00133.20 C ATOM 62 OE1 GLN 182 -5.180 44.708 74.064 1.00133.20 O ATOM 63 NE2 GLN 182 -3.846 46.526 74.312 1.00133.20 N ATOM 64 C GLN 182 -4.291 44.055 71.460 1.00133.20 C ATOM 65 O GLN 182 -5.328 43.504 71.826 1.00133.20 O ATOM 66 N CYS 183 -4.277 45.248 70.832 1.00 86.04 N ATOM 67 CA CYS 183 -5.461 46.025 70.597 1.00 86.04 C ATOM 68 CB CYS 183 -5.116 47.448 70.126 1.00 86.04 C ATOM 69 SG CYS 183 -6.585 48.466 69.819 1.00 86.04 S ATOM 70 C CYS 183 -6.315 45.373 69.554 1.00 86.04 C ATOM 71 O CYS 183 -7.533 45.269 69.704 1.00 86.04 O ATOM 72 N GLY 184 -5.678 44.907 68.463 1.00 21.47 N ATOM 73 CA GLY 184 -6.399 44.280 67.395 1.00 21.47 C ATOM 74 C GLY 184 -6.762 45.318 66.381 1.00 21.47 C ATOM 75 O GLY 184 -7.429 45.018 65.392 1.00 21.47 O ATOM 76 N LYS 185 -6.334 46.578 66.592 1.00133.64 N ATOM 77 CA LYS 185 -6.671 47.590 65.637 1.00133.64 C ATOM 78 CB LYS 185 -6.578 49.026 66.173 1.00133.64 C ATOM 79 CG LYS 185 -5.164 49.479 66.527 1.00133.64 C ATOM 80 CD LYS 185 -5.058 50.994 66.712 1.00133.64 C ATOM 81 CE LYS 185 -5.667 51.506 68.014 1.00133.64 C ATOM 82 NZ LYS 185 -7.142 51.396 67.970 1.00133.64 N ATOM 83 C LYS 185 -5.758 47.461 64.462 1.00133.64 C ATOM 84 O LYS 185 -4.652 46.931 64.572 1.00133.64 O ATOM 85 N SER 186 -6.222 47.936 63.291 1.00 83.73 N ATOM 86 CA SER 186 -5.453 47.820 62.086 1.00 83.73 C ATOM 87 CB SER 186 -6.266 47.293 60.888 1.00 83.73 C ATOM 88 OG SER 186 -7.295 48.208 60.543 1.00 83.73 O ATOM 89 C SER 186 -4.944 49.178 61.726 1.00 83.73 C ATOM 90 O SER 186 -5.532 50.193 62.100 1.00 83.73 O ATOM 91 N PHE 187 -3.808 49.225 61.001 1.00 62.60 N ATOM 92 CA PHE 187 -3.240 50.489 60.635 1.00 62.60 C ATOM 93 CB PHE 187 -1.894 50.790 61.316 1.00 62.60 C ATOM 94 CG PHE 187 -2.073 50.766 62.794 1.00 62.60 C ATOM 95 CD1 PHE 187 -2.027 49.563 63.456 1.00 62.60 C ATOM 96 CD2 PHE 187 -2.268 51.919 63.520 1.00 62.60 C ATOM 97 CE1 PHE 187 -2.179 49.502 64.819 1.00 62.60 C ATOM 98 CE2 PHE 187 -2.422 51.869 64.886 1.00 62.60 C ATOM 99 CZ PHE 187 -2.379 50.658 65.534 1.00 62.60 C ATOM 100 C PHE 187 -2.939 50.455 59.169 1.00 62.60 C ATOM 101 O PHE 187 -2.642 49.409 58.592 1.00 62.60 O ATOM 102 N ASN 188 -3.020 51.635 58.532 1.00 41.10 N ATOM 103 CA ASN 188 -2.744 51.808 57.136 1.00 41.10 C ATOM 104 CB ASN 188 -3.115 53.210 56.622 1.00 41.10 C ATOM 105 CG ASN 188 -2.297 54.230 57.401 1.00 41.10 C ATOM 106 OD1 ASN 188 -1.874 53.988 58.529 1.00 41.10 O ATOM 107 ND2 ASN 188 -2.071 55.420 56.789 1.00 41.10 N ATOM 108 C ASN 188 -1.284 51.584 56.858 1.00 41.10 C ATOM 109 O ASN 188 -0.932 51.066 55.799 1.00 41.10 O ATOM 110 N CYS 189 -0.382 51.979 57.784 1.00 40.12 N ATOM 111 CA CYS 189 1.010 51.824 57.471 1.00 40.12 C ATOM 112 CB CYS 189 1.768 53.151 57.320 1.00 40.12 C ATOM 113 SG CYS 189 1.230 54.090 55.862 1.00 40.12 S ATOM 114 C CYS 189 1.705 51.031 58.532 1.00 40.12 C ATOM 115 O CYS 189 1.370 51.088 59.711 1.00 40.12 O ATOM 116 N LEU 190 2.725 50.265 58.093 1.00123.34 N ATOM 117 CA LEU 190 3.506 49.399 58.927 1.00123.34 C ATOM 118 CB LEU 190 4.492 48.535 58.125 1.00123.34 C ATOM 119 CG LEU 190 5.329 47.594 59.008 1.00123.34 C ATOM 120 CD1 LEU 190 4.428 46.598 59.756 1.00123.34 C ATOM 121 CD2 LEU 190 6.435 46.903 58.197 1.00123.34 C ATOM 122 C LEU 190 4.295 50.215 59.899 1.00123.34 C ATOM 123 O LEU 190 4.486 49.807 61.043 1.00123.34 O ATOM 124 N ALA 191 4.793 51.387 59.463 1.00 25.02 N ATOM 125 CA ALA 191 5.592 52.210 60.324 1.00 25.02 C ATOM 126 CB ALA 191 6.067 53.502 59.637 1.00 25.02 C ATOM 127 C ALA 191 4.754 52.604 61.495 1.00 25.02 C ATOM 128 O ALA 191 5.221 52.593 62.633 1.00 25.02 O ATOM 129 N HIS 192 3.480 52.943 61.236 1.00 37.40 N ATOM 130 CA HIS 192 2.586 53.368 62.270 1.00 37.40 C ATOM 131 ND1 HIS 192 1.500 56.320 61.368 1.00 37.40 N ATOM 132 CG HIS 192 1.320 55.048 60.870 1.00 37.40 C ATOM 133 CB HIS 192 1.219 53.821 61.728 1.00 37.40 C ATOM 134 NE2 HIS 192 1.413 56.513 59.155 1.00 37.40 N ATOM 135 CD2 HIS 192 1.270 55.186 59.517 1.00 37.40 C ATOM 136 CE1 HIS 192 1.548 57.157 60.301 1.00 37.40 C ATOM 137 C HIS 192 2.357 52.231 63.211 1.00 37.40 C ATOM 138 O HIS 192 2.257 52.434 64.420 1.00 37.40 O ATOM 139 N LEU 193 2.266 50.999 62.680 1.00 43.11 N ATOM 140 CA LEU 193 2.017 49.859 63.512 1.00 43.11 C ATOM 141 CB LEU 193 1.979 48.541 62.720 0.50 43.11 C ATOM 142 CG LEU 193 1.846 47.292 63.615 0.50 43.11 C ATOM 143 CD1 LEU 193 0.486 47.239 64.330 0.50 43.11 C ATOM 144 CD2 LEU 193 2.172 46.009 62.835 0.50 43.11 C ATOM 145 C LEU 193 3.136 49.726 64.490 1.00 43.11 C ATOM 146 O LEU 193 2.904 49.474 65.671 1.00 43.11 O ATOM 147 N ASN 194 4.385 49.905 64.024 1.00 47.67 N ATOM 148 CA ASN 194 5.510 49.728 64.897 1.00 47.67 C ATOM 149 CB ASN 194 6.861 49.945 64.193 1.00 47.67 C ATOM 150 CG ASN 194 7.091 48.797 63.223 1.00 47.67 C ATOM 151 OD1 ASN 194 7.956 48.868 62.350 1.00 47.67 O ATOM 152 ND2 ASN 194 6.290 47.709 63.372 1.00 47.67 N ATOM 153 C ASN 194 5.454 50.720 66.015 1.00 47.67 C ATOM 154 O ASN 194 5.613 50.358 67.179 1.00 47.67 O ATOM 155 N LYS 195 5.210 52.004 65.695 1.00 81.70 N ATOM 156 CA LYS 195 5.222 53.014 66.712 1.00 81.70 C ATOM 157 CB LYS 195 5.010 54.434 66.159 1.00 81.70 C ATOM 158 CG LYS 195 5.237 55.522 67.213 1.00 81.70 C ATOM 159 CD LYS 195 5.415 56.925 66.625 1.00 81.70 C ATOM 160 CE LYS 195 5.655 58.018 67.671 1.00 81.70 C ATOM 161 NZ LYS 195 4.421 58.257 68.450 1.00 81.70 N ATOM 162 C LYS 195 4.125 52.733 67.682 1.00 81.70 C ATOM 163 O LYS 195 4.285 52.911 68.885 1.00 81.70 O ATOM 164 N HIS 196 2.967 52.277 67.174 1.00 50.78 N ATOM 165 CA HIS 196 1.836 52.038 68.020 1.00 50.78 C ATOM 166 ND1 HIS 196 -1.454 52.242 68.547 1.00 50.78 N ATOM 167 CG HIS 196 -0.592 51.275 68.081 1.00 50.78 C ATOM 168 CB HIS 196 0.609 51.553 67.226 1.00 50.78 C ATOM 169 NE2 HIS 196 -2.221 50.294 69.297 1.00 50.78 N ATOM 170 CD2 HIS 196 -1.075 50.091 68.549 1.00 50.78 C ATOM 171 CE1 HIS 196 -2.409 51.601 69.268 1.00 50.78 C ATOM 172 C HIS 196 2.147 50.976 69.026 1.00 50.78 C ATOM 173 O HIS 196 1.903 51.154 70.218 1.00 50.78 O ATOM 174 N MET 197 2.696 49.834 68.572 1.00 75.50 N ATOM 175 CA MET 197 2.905 48.740 69.476 1.00 75.50 C ATOM 176 CB MET 197 3.351 47.449 68.766 1.00 75.50 C ATOM 177 CG MET 197 2.277 46.873 67.839 1.00 75.50 C ATOM 178 SD MET 197 2.750 45.338 66.987 1.00 75.50 S ATOM 179 CE MET 197 3.948 46.126 65.874 1.00 75.50 C ATOM 180 C MET 197 3.920 49.062 70.525 1.00 75.50 C ATOM 181 O MET 197 3.686 48.826 71.711 1.00 75.50 O ATOM 182 N ARG 198 5.066 49.644 70.134 1.00104.20 N ATOM 183 CA ARG 198 6.089 49.859 71.115 1.00104.20 C ATOM 184 CB ARG 198 7.513 49.756 70.547 1.00104.20 C ATOM 185 CG ARG 198 8.598 49.966 71.604 1.00104.20 C ATOM 186 CD ARG 198 9.951 50.378 71.017 1.00104.20 C ATOM 187 NE ARG 198 9.731 51.663 70.294 1.00104.20 N ATOM 188 CZ ARG 198 9.498 51.643 68.949 1.00104.20 C ATOM 189 NH1 ARG 198 9.616 50.469 68.261 1.00104.20 N ATOM 190 NH2 ARG 198 9.139 52.785 68.292 1.00104.20 N ATOM 191 C ARG 198 5.942 51.256 71.694 1.00104.20 C ATOM 192 O ARG 198 6.593 51.530 72.736 1.00104.20 O ATOM 193 OXT ARG 198 5.185 52.070 71.101 1.00104.20 O