EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.7929 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1416.67761 REMARK 6 GA341 score: 0.98520 REMARK 6 Normalized DOPE score: -0.35458 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 177 0.542 25.335 65.443 1.00 84.02 N ATOM 2 CA GLU 177 -0.290 26.533 65.697 1.00 84.02 C ATOM 3 CB GLU 177 -0.958 26.425 67.080 1.00 84.02 C ATOM 4 CG GLU 177 0.033 26.234 68.231 1.00 84.02 C ATOM 5 CD GLU 177 0.494 27.604 68.699 1.00 84.02 C ATOM 6 OE1 GLU 177 -0.254 28.591 68.467 1.00 84.02 O ATOM 7 OE2 GLU 177 1.596 27.679 69.305 1.00 84.02 O ATOM 8 C GLU 177 0.526 27.780 65.629 1.00 84.02 C ATOM 9 O GLU 177 1.628 27.850 66.173 1.00 84.02 O ATOM 10 N LYS 178 0.000 28.800 64.921 1.00120.21 N ATOM 11 CA LYS 178 0.708 30.041 64.795 1.00120.21 C ATOM 12 CB LYS 178 0.705 30.592 63.360 1.00120.21 C ATOM 13 CG LYS 178 1.342 29.655 62.333 1.00120.21 C ATOM 14 CD LYS 178 0.499 28.409 62.047 1.00120.21 C ATOM 15 CE LYS 178 -0.860 28.728 61.421 1.00120.21 C ATOM 16 NZ LYS 178 -1.602 27.476 61.153 1.00120.21 N ATOM 17 C LYS 178 -0.027 31.044 65.628 1.00120.21 C ATOM 18 O LYS 178 -0.941 31.722 65.174 1.00120.21 O ATOM 19 N PRO 179 0.391 31.123 66.857 1.00 76.41 N ATOM 20 CA PRO 179 -0.191 31.965 67.866 1.00 76.41 C ATOM 21 CD PRO 179 1.587 30.438 67.312 1.00 76.41 C ATOM 22 CB PRO 179 0.507 31.563 69.165 1.00 76.41 C ATOM 23 CG PRO 179 1.878 31.049 68.694 1.00 76.41 C ATOM 24 C PRO 179 -0.063 33.439 67.630 1.00 76.41 C ATOM 25 O PRO 179 -0.885 34.182 68.162 1.00 76.41 O ATOM 26 N PHE 180 0.948 33.912 66.876 1.00 66.07 N ATOM 27 CA PHE 180 1.098 35.338 66.832 1.00 66.07 C ATOM 28 CB PHE 180 2.493 35.795 67.290 1.00 66.07 C ATOM 29 CG PHE 180 2.554 35.360 68.715 1.00 66.07 C ATOM 30 CD1 PHE 180 2.972 34.091 69.048 1.00 66.07 C ATOM 31 CD2 PHE 180 2.167 36.215 69.720 1.00 66.07 C ATOM 32 CE1 PHE 180 3.016 33.687 70.362 1.00 66.07 C ATOM 33 CE2 PHE 180 2.209 35.816 71.036 1.00 66.07 C ATOM 34 CZ PHE 180 2.634 34.552 71.360 1.00 66.07 C ATOM 35 C PHE 180 0.810 35.844 65.460 1.00 66.07 C ATOM 36 O PHE 180 1.387 35.385 64.476 1.00 66.07 O ATOM 37 N THR 181 -0.098 36.838 65.370 1.00 37.89 N ATOM 38 CA THR 181 -0.486 37.316 64.077 1.00 37.89 C ATOM 39 CB THR 181 -1.955 37.196 63.805 0.50 37.89 C ATOM 40 OG1 THR 181 -2.368 35.844 63.945 1.00 37.89 O ATOM 41 CG2 THR 181 -2.219 37.679 62.367 1.00 37.89 C ATOM 42 C THR 181 -0.142 38.762 63.955 1.00 37.89 C ATOM 43 O THR 181 -0.135 39.512 64.932 1.00 37.89 O ATOM 44 N CYS 182 0.172 39.183 62.717 1.00 87.51 N ATOM 45 CA CYS 182 0.486 40.557 62.487 1.00 87.51 C ATOM 46 CB CYS 182 1.493 40.790 61.347 1.00 87.51 C ATOM 47 SG CYS 182 0.803 40.347 59.729 1.00 87.51 S ATOM 48 C CYS 182 -0.799 41.230 62.125 1.00 87.51 C ATOM 49 O CYS 182 -1.627 40.682 61.398 1.00 87.51 O ATOM 50 N THR 183 -0.997 42.448 62.654 1.00109.91 N ATOM 51 CA THR 183 -2.221 43.170 62.467 1.00109.91 C ATOM 52 CB THR 183 -2.262 44.455 63.239 1.00109.91 C ATOM 53 OG1 THR 183 -1.273 45.348 62.750 1.00109.91 O ATOM 54 CG2 THR 183 -2.010 44.148 64.725 1.00109.91 C ATOM 55 C THR 183 -2.412 43.539 61.032 1.00109.91 C ATOM 56 O THR 183 -3.533 43.505 60.525 1.00109.91 O ATOM 57 N HIS 184 -1.330 43.967 60.355 1.00 87.70 N ATOM 58 CA HIS 184 -1.479 44.433 59.006 1.00 87.70 C ATOM 59 ND1 HIS 184 0.930 46.070 60.538 1.00 87.70 N ATOM 60 CG HIS 184 0.234 46.222 59.361 1.00 87.70 C ATOM 61 CB HIS 184 -0.186 45.075 58.488 1.00 87.70 C ATOM 62 NE2 HIS 184 0.570 48.250 60.296 1.00 87.70 N ATOM 63 CD2 HIS 184 0.022 47.562 59.227 1.00 87.70 C ATOM 64 CE1 HIS 184 1.104 47.312 61.057 1.00 87.70 C ATOM 65 C HIS 184 -1.873 43.338 58.055 1.00 87.70 C ATOM 66 O HIS 184 -2.943 43.400 57.451 1.00 87.70 O ATOM 67 N CYS 185 -1.002 42.315 57.889 1.00100.18 N ATOM 68 CA CYS 185 -1.260 41.230 56.973 1.00100.18 C ATOM 69 CB CYS 185 -0.077 40.263 56.789 1.00100.18 C ATOM 70 SG CYS 185 1.497 41.045 56.358 1.00100.18 S ATOM 71 C CYS 185 -2.326 40.345 57.526 1.00100.18 C ATOM 72 O CYS 185 -3.243 39.927 56.822 1.00100.18 O ATOM 73 N GLY 186 -2.222 40.031 58.830 1.00 24.96 N ATOM 74 CA GLY 186 -3.130 39.096 59.423 1.00 24.96 C ATOM 75 C GLY 186 -2.491 37.742 59.330 1.00 24.96 C ATOM 76 O GLY 186 -3.117 36.728 59.635 1.00 24.96 O ATOM 77 N LYS 187 -1.218 37.692 58.887 1.00 47.56 N ATOM 78 CA LYS 187 -0.529 36.439 58.780 1.00 47.56 C ATOM 79 CB LYS 187 0.770 36.516 57.957 1.00 47.56 C ATOM 80 CG LYS 187 1.347 35.139 57.633 1.00 47.56 C ATOM 81 CD LYS 187 2.427 35.151 56.551 1.00 47.56 C ATOM 82 CE LYS 187 2.965 33.754 56.232 1.00 47.56 C ATOM 83 NZ LYS 187 3.884 33.817 55.076 1.00 47.56 N ATOM 84 C LYS 187 -0.165 36.000 60.163 1.00 47.56 C ATOM 85 O LYS 187 0.099 36.828 61.035 1.00 47.56 O ATOM 86 N SER 188 -0.144 34.670 60.392 1.00 37.17 N ATOM 87 CA SER 188 0.159 34.157 61.699 1.00 37.17 C ATOM 88 CB SER 188 -0.848 33.105 62.190 1.00 37.17 C ATOM 89 OG SER 188 -2.132 33.691 62.342 1.00 37.17 O ATOM 90 C SER 188 1.503 33.503 61.645 1.00 37.17 C ATOM 91 O SER 188 1.919 32.992 60.607 1.00 37.17 O ATOM 92 N PHE 189 2.228 33.521 62.783 1.00 53.58 N ATOM 93 CA PHE 189 3.547 32.958 62.809 1.00 53.58 C ATOM 94 CB PHE 189 4.660 34.022 62.876 1.00 53.58 C ATOM 95 CG PHE 189 4.612 34.802 61.601 1.00 53.58 C ATOM 96 CD1 PHE 189 3.760 35.875 61.463 1.00 53.58 C ATOM 97 CD2 PHE 189 5.417 34.457 60.540 1.00 53.58 C ATOM 98 CE1 PHE 189 3.711 36.596 60.291 1.00 53.58 C ATOM 99 CE2 PHE 189 5.374 35.171 59.365 1.00 53.58 C ATOM 100 CZ PHE 189 4.521 36.241 59.239 1.00 53.58 C ATOM 101 C PHE 189 3.679 32.068 64.006 1.00 53.58 C ATOM 102 O PHE 189 3.007 32.248 65.020 1.00 53.58 O ATOM 103 N SER 190 4.558 31.055 63.880 1.00 80.23 N ATOM 104 CA SER 190 4.809 30.076 64.895 1.00 80.23 C ATOM 105 CB SER 190 5.708 28.941 64.386 1.00 80.23 C ATOM 106 OG SER 190 5.094 28.290 63.285 1.00 80.23 O ATOM 107 C SER 190 5.519 30.706 66.056 1.00 80.23 C ATOM 108 O SER 190 5.324 30.287 67.197 1.00 80.23 O ATOM 109 N GLN 191 6.369 31.725 65.807 1.00 46.75 N ATOM 110 CA GLN 191 7.118 32.274 66.905 1.00 46.75 C ATOM 111 CB GLN 191 8.634 32.027 66.807 1.00 46.75 C ATOM 112 CG GLN 191 9.023 30.550 66.897 1.00 46.75 C ATOM 113 CD GLN 191 10.542 30.469 66.975 1.00 46.75 C ATOM 114 OE1 GLN 191 11.190 29.857 66.127 1.00 46.75 O ATOM 115 NE2 GLN 191 11.128 31.101 68.027 1.00 46.75 N ATOM 116 C GLN 191 6.918 33.757 66.982 1.00 46.75 C ATOM 117 O GLN 191 6.807 34.448 65.971 1.00 46.75 O ATOM 118 N SER 192 6.882 34.275 68.226 1.00 68.10 N ATOM 119 CA SER 192 6.657 35.666 68.493 1.00 68.10 C ATOM 120 CB SER 192 6.448 35.953 69.991 1.00 68.10 C ATOM 121 OG SER 192 6.236 37.342 70.196 1.00 68.10 O ATOM 122 C SER 192 7.817 36.485 68.013 1.00 68.10 C ATOM 123 O SER 192 7.632 37.594 67.515 1.00 68.10 O ATOM 124 N SER 193 9.050 35.959 68.142 1.00 68.18 N ATOM 125 CA SER 193 10.207 36.713 67.743 1.00 68.18 C ATOM 126 CB SER 193 11.531 35.960 67.970 1.00 68.18 C ATOM 127 OG SER 193 11.733 35.706 69.351 1.00 68.18 O ATOM 128 C SER 193 10.119 36.964 66.275 1.00 68.18 C ATOM 129 O SER 193 10.410 38.060 65.799 1.00 68.18 O ATOM 130 N HIS 194 9.704 35.930 65.524 1.00 46.80 N ATOM 131 CA HIS 194 9.637 36.014 64.099 1.00 46.80 C ATOM 132 ND1 HIS 194 11.758 33.852 63.456 1.00 46.80 N ATOM 133 CG HIS 194 10.425 33.657 63.755 1.00 46.80 C ATOM 134 CB HIS 194 9.346 34.657 63.439 1.00 46.80 C ATOM 135 NE2 HIS 194 11.613 31.856 64.423 1.00 46.80 N ATOM 136 CD2 HIS 194 10.356 32.432 64.347 1.00 46.80 C ATOM 137 CE1 HIS 194 12.421 32.746 63.878 1.00 46.80 C ATOM 138 C HIS 194 8.588 37.005 63.711 1.00 46.80 C ATOM 139 O HIS 194 8.733 37.716 62.720 1.00 46.80 O ATOM 140 N LEU 195 7.485 37.075 64.477 1.00 97.65 N ATOM 141 CA LEU 195 6.452 38.000 64.117 1.00 97.65 C ATOM 142 CB LEU 195 5.233 37.944 65.061 0.50 97.65 C ATOM 143 CG LEU 195 3.991 38.740 64.592 0.50 97.65 C ATOM 144 CD1 LEU 195 4.239 40.253 64.515 0.50 97.65 C ATOM 145 CD2 LEU 195 3.440 38.180 63.275 0.50 97.65 C ATOM 146 C LEU 195 7.029 39.378 64.209 1.00 97.65 C ATOM 147 O LEU 195 6.802 40.214 63.334 1.00 97.65 O ATOM 148 N ASN 196 7.820 39.649 65.265 1.00 73.94 N ATOM 149 CA ASN 196 8.338 40.974 65.467 1.00 73.94 C ATOM 150 CB ASN 196 9.220 41.091 66.727 1.00 73.94 C ATOM 151 CG ASN 196 9.551 42.565 66.943 1.00 73.94 C ATOM 152 OD1 ASN 196 8.966 43.230 67.798 1.00 73.94 O ATOM 153 ND2 ASN 196 10.520 43.090 66.146 1.00 73.94 N ATOM 154 C ASN 196 9.169 41.365 64.285 1.00 73.94 C ATOM 155 O ASN 196 9.043 42.472 63.765 1.00 73.94 O ATOM 156 N LEU 197 10.035 40.451 63.817 1.00113.99 N ATOM 157 CA LEU 197 10.885 40.750 62.701 1.00113.99 C ATOM 158 CB LEU 197 11.821 39.584 62.351 1.00113.99 C ATOM 159 CG LEU 197 12.719 39.868 61.134 1.00113.99 C ATOM 160 CD1 LEU 197 13.694 41.022 61.418 1.00113.99 C ATOM 161 CD2 LEU 197 13.419 38.590 60.642 1.00113.99 C ATOM 162 C LEU 197 10.037 40.989 61.494 1.00113.99 C ATOM 163 O LEU 197 10.278 41.920 60.727 1.00113.99 O ATOM 164 N HIS 198 8.998 40.155 61.313 1.00 40.73 N ATOM 165 CA HIS 198 8.182 40.209 60.137 1.00 40.73 C ATOM 166 ND1 HIS 198 6.646 38.386 57.768 1.00 40.73 N ATOM 167 CG HIS 198 6.265 39.075 58.896 1.00 40.73 C ATOM 168 CB HIS 198 7.070 39.145 60.159 1.00 40.73 C ATOM 169 NE2 HIS 198 4.670 39.300 57.316 1.00 40.73 N ATOM 170 CD2 HIS 198 5.055 39.629 58.602 1.00 40.73 C ATOM 171 CE1 HIS 198 5.657 38.554 56.853 1.00 40.73 C ATOM 172 C HIS 198 7.532 41.552 60.019 1.00 40.73 C ATOM 173 O HIS 198 7.560 42.162 58.951 1.00 40.73 O ATOM 174 N MET 199 6.936 42.066 61.111 1.00101.97 N ATOM 175 CA MET 199 6.272 43.331 60.990 1.00101.97 C ATOM 176 CB MET 199 5.062 43.487 61.937 1.00101.97 C ATOM 177 CG MET 199 5.410 43.620 63.422 1.00101.97 C ATOM 178 SD MET 199 6.006 45.259 63.947 1.00101.97 S ATOM 179 CE MET 199 6.283 44.811 65.686 1.00101.97 C ATOM 180 C MET 199 7.269 44.442 61.280 1.00101.97 C ATOM 181 O MET 199 6.881 45.631 61.121 1.00101.97 O ATOM 182 OXT MET 199 8.424 44.127 61.672 1.00101.97 O