EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:06 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.2393 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 42.857 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1765.97363 REMARK 6 GA341 score: 0.99793 REMARK 6 Normalized DOPE score: -1.38616 REMARK 6 TEMPLATE: 1llmC01 101:C - 128:C MODELS 1: - 28: AT 42.9% ATOM 1 N GLU 221 -4.536 38.010 52.586 1.00 35.36 N ATOM 2 CA GLU 221 -4.493 39.488 52.502 1.00 35.36 C ATOM 3 CB GLU 221 -5.743 40.079 53.177 1.00 35.36 C ATOM 4 CG GLU 221 -6.014 41.543 52.824 1.00 35.36 C ATOM 5 CD GLU 221 -7.472 41.825 53.164 1.00 35.36 C ATOM 6 OE1 GLU 221 -7.848 41.666 54.356 1.00 35.36 O ATOM 7 OE2 GLU 221 -8.233 42.193 52.229 1.00 35.36 O ATOM 8 C GLU 221 -3.247 39.974 53.166 1.00 35.36 C ATOM 9 O GLU 221 -2.154 39.519 52.831 1.00 35.36 O ATOM 10 N LYS 222 -3.359 40.913 54.129 1.00 73.08 N ATOM 11 CA LYS 222 -2.160 41.359 54.783 1.00 73.08 C ATOM 12 CB LYS 222 -1.947 42.880 54.671 1.00 73.08 C ATOM 13 CG LYS 222 -1.650 43.359 53.246 1.00 73.08 C ATOM 14 CD LYS 222 -1.784 44.873 53.066 1.00 73.08 C ATOM 15 CE LYS 222 -1.433 45.362 51.659 1.00 73.08 C ATOM 16 NZ LYS 222 0.024 45.233 51.425 1.00 73.08 N ATOM 17 C LYS 222 -2.259 41.024 56.243 1.00 73.08 C ATOM 18 O LYS 222 -2.699 41.833 57.057 1.00 73.08 O ATOM 19 N PRO 223 -1.862 39.829 56.580 1.00167.87 N ATOM 20 CA PRO 223 -1.917 39.406 57.954 1.00167.87 C ATOM 21 CD PRO 223 -2.138 38.722 55.679 1.00167.87 C ATOM 22 CB PRO 223 -1.948 37.879 57.936 1.00167.87 C ATOM 23 CG PRO 223 -2.558 37.546 56.570 1.00167.87 C ATOM 24 C PRO 223 -0.862 39.939 58.877 1.00167.87 C ATOM 25 O PRO 223 -1.030 39.780 60.086 1.00167.87 O ATOM 26 N PHE 224 0.233 40.545 58.378 1.00121.83 N ATOM 27 CA PHE 224 1.255 40.887 59.326 1.00121.83 C ATOM 28 CB PHE 224 2.656 40.468 58.861 1.00121.83 C ATOM 29 CG PHE 224 2.589 38.979 58.814 1.00121.83 C ATOM 30 CD1 PHE 224 2.703 38.249 59.973 1.00121.83 C ATOM 31 CD2 PHE 224 2.390 38.312 57.627 1.00121.83 C ATOM 32 CE1 PHE 224 2.639 36.877 59.951 1.00121.83 C ATOM 33 CE2 PHE 224 2.326 36.938 57.598 1.00121.83 C ATOM 34 CZ PHE 224 2.448 36.216 58.762 1.00121.83 C ATOM 35 C PHE 224 1.219 42.350 59.613 1.00121.83 C ATOM 36 O PHE 224 1.322 43.178 58.711 1.00121.83 O ATOM 37 N THR 225 1.106 42.698 60.914 1.00 38.76 N ATOM 38 CA THR 225 0.922 44.068 61.291 1.00 38.76 C ATOM 39 CB THR 225 -0.285 44.261 62.154 0.50 38.76 C ATOM 40 OG1 THR 225 -1.445 43.799 61.478 1.00 38.76 O ATOM 41 CG2 THR 225 -0.420 45.754 62.495 1.00 38.76 C ATOM 42 C THR 225 2.091 44.553 62.092 1.00 38.76 C ATOM 43 O THR 225 2.697 43.815 62.868 1.00 38.76 O ATOM 44 N CYS 226 2.422 45.848 61.906 1.00 41.46 N ATOM 45 CA CYS 226 3.480 46.484 62.638 1.00 41.46 C ATOM 46 CB CYS 226 4.127 47.654 61.868 1.00 41.46 C ATOM 47 SG CYS 226 5.472 48.478 62.777 1.00 41.46 S ATOM 48 C CYS 226 2.846 47.052 63.870 1.00 41.46 C ATOM 49 O CYS 226 1.834 47.745 63.801 1.00 41.46 O ATOM 50 N THR 227 3.425 46.753 65.048 1.00108.33 N ATOM 51 CA THR 227 2.840 47.192 66.282 1.00108.33 C ATOM 52 CB THR 227 3.521 46.627 67.496 1.00108.33 C ATOM 53 OG1 THR 227 4.872 47.062 67.557 1.00108.33 O ATOM 54 CG2 THR 227 3.460 45.091 67.425 1.00108.33 C ATOM 55 C THR 227 2.884 48.685 66.403 1.00108.33 C ATOM 56 O THR 227 1.923 49.298 66.867 1.00108.33 O ATOM 57 N ARG 228 4.020 49.312 66.048 1.00153.74 N ATOM 58 CA ARG 228 4.077 50.733 66.238 1.00153.74 C ATOM 59 CB ARG 228 5.504 51.284 66.124 1.00153.74 C ATOM 60 CG ARG 228 6.203 50.926 64.822 1.00153.74 C ATOM 61 CD ARG 228 7.697 51.216 64.915 1.00153.74 C ATOM 62 NE ARG 228 8.232 50.421 66.056 1.00153.74 N ATOM 63 CZ ARG 228 9.318 50.863 66.755 1.00153.74 C ATOM 64 NH1 ARG 228 9.937 52.032 66.414 1.00153.74 N ATOM 65 NH2 ARG 228 9.792 50.133 67.804 1.00153.74 N ATOM 66 C ARG 228 3.168 51.491 65.313 1.00153.74 C ATOM 67 O ARG 228 2.316 52.256 65.763 1.00153.74 O ATOM 68 N CYS 229 3.339 51.296 63.993 1.00 97.30 N ATOM 69 CA CYS 229 2.582 51.961 62.967 1.00 97.30 C ATOM 70 CB CYS 229 3.239 51.739 61.597 1.00 97.30 C ATOM 71 SG CYS 229 2.353 52.513 60.223 1.00 97.30 S ATOM 72 C CYS 229 1.173 51.452 62.904 1.00 97.30 C ATOM 73 O CYS 229 0.227 52.232 62.814 1.00 97.30 O ATOM 74 N GLY 230 0.992 50.119 62.950 1.00 22.14 N ATOM 75 CA GLY 230 -0.321 49.541 62.868 1.00 22.14 C ATOM 76 C GLY 230 -0.625 49.193 61.441 1.00 22.14 C ATOM 77 O GLY 230 -1.711 48.700 61.137 1.00 22.14 O ATOM 78 N ARG 231 0.328 49.436 60.518 1.00 57.94 N ATOM 79 CA ARG 231 0.095 49.122 59.135 1.00 57.94 C ATOM 80 CB ARG 231 1.097 49.775 58.164 1.00 57.94 C ATOM 81 CG ARG 231 0.742 49.555 56.690 1.00 57.94 C ATOM 82 CD ARG 231 1.762 50.120 55.698 1.00 57.94 C ATOM 83 NE ARG 231 1.228 49.879 54.327 1.00 57.94 N ATOM 84 CZ ARG 231 2.049 49.964 53.242 1.00 57.94 C ATOM 85 NH1 ARG 231 3.383 50.200 53.415 1.00 57.94 N ATOM 86 NH2 ARG 231 1.539 49.814 51.985 1.00 57.94 N ATOM 87 C ARG 231 0.195 47.635 58.963 1.00 57.94 C ATOM 88 O ARG 231 0.913 46.958 59.699 1.00 57.94 O ATOM 89 N SER 232 -0.544 47.090 57.972 1.00 76.08 N ATOM 90 CA SER 232 -0.540 45.672 57.739 1.00 76.08 C ATOM 91 CB SER 232 -1.949 45.074 57.595 1.00 76.08 C ATOM 92 OG SER 232 -2.590 45.611 56.448 1.00 76.08 O ATOM 93 C SER 232 0.191 45.410 56.459 1.00 76.08 C ATOM 94 O SER 232 0.205 46.246 55.559 1.00 76.08 O ATOM 95 N PHE 233 0.835 44.227 56.356 1.00 47.34 N ATOM 96 CA PHE 233 1.611 43.926 55.188 1.00 47.34 C ATOM 97 CB PHE 233 3.127 43.921 55.454 1.00 47.34 C ATOM 98 CG PHE 233 3.520 45.296 55.868 1.00 47.34 C ATOM 99 CD1 PHE 233 3.380 45.698 57.177 1.00 47.34 C ATOM 100 CD2 PHE 233 4.029 46.185 54.951 1.00 47.34 C ATOM 101 CE1 PHE 233 3.743 46.966 57.567 1.00 47.34 C ATOM 102 CE2 PHE 233 4.394 47.454 55.333 1.00 47.34 C ATOM 103 CZ PHE 233 4.249 47.848 56.643 1.00 47.34 C ATOM 104 C PHE 233 1.257 42.562 54.694 1.00 47.34 C ATOM 105 O PHE 233 0.857 41.683 55.456 1.00 47.34 O ATOM 106 N SER 234 1.400 42.380 53.366 1.00 40.36 N ATOM 107 CA SER 234 1.111 41.151 52.694 1.00 40.36 C ATOM 108 CB SER 234 1.135 41.306 51.163 1.00 40.36 C ATOM 109 OG SER 234 2.429 41.699 50.730 1.00 40.36 O ATOM 110 C SER 234 2.115 40.104 53.069 1.00 40.36 C ATOM 111 O SER 234 1.775 38.922 53.118 1.00 40.36 O ATOM 112 N LYS 235 3.386 40.483 53.335 1.00130.32 N ATOM 113 CA LYS 235 4.330 39.440 53.635 1.00130.32 C ATOM 114 CB LYS 235 5.361 39.176 52.522 1.00130.32 C ATOM 115 CG LYS 235 4.758 38.527 51.273 1.00130.32 C ATOM 116 CD LYS 235 4.021 37.216 51.562 1.00130.32 C ATOM 117 CE LYS 235 4.837 36.209 52.377 1.00130.32 C ATOM 118 NZ LYS 235 3.966 35.109 52.848 1.00130.32 N ATOM 119 C LYS 235 5.082 39.745 54.894 1.00130.32 C ATOM 120 O LYS 235 5.344 40.899 55.231 1.00130.32 O ATOM 121 N SER 236 5.455 38.667 55.616 1.00 77.82 N ATOM 122 CA SER 236 6.140 38.721 56.875 1.00 77.82 C ATOM 123 CB SER 236 6.405 37.323 57.455 1.00 77.82 C ATOM 124 OG SER 236 5.184 36.624 57.636 1.00 77.82 O ATOM 125 C SER 236 7.489 39.341 56.697 1.00 77.82 C ATOM 126 O SER 236 7.933 40.135 57.525 1.00 77.82 O ATOM 127 N SER 237 8.186 38.985 55.603 1.00 25.90 N ATOM 128 CA SER 237 9.518 39.473 55.392 1.00 25.90 C ATOM 129 CB SER 237 10.148 38.941 54.095 1.00 25.90 C ATOM 130 OG SER 237 9.427 39.436 52.974 1.00 25.90 O ATOM 131 C SER 237 9.463 40.962 55.270 1.00 25.90 C ATOM 132 O SER 237 10.298 41.672 55.828 1.00 25.90 O ATOM 133 N ASN 238 8.458 41.468 54.531 1.00 39.29 N ATOM 134 CA ASN 238 8.323 42.876 54.309 1.00 39.29 C ATOM 135 CB ASN 238 7.232 43.227 53.282 1.00 39.29 C ATOM 136 CG ASN 238 7.825 42.997 51.897 1.00 39.29 C ATOM 137 OD1 ASN 238 8.727 43.716 51.470 1.00 39.29 O ATOM 138 ND2 ASN 238 7.318 41.960 51.177 1.00 39.29 N ATOM 139 C ASN 238 8.029 43.554 55.608 1.00 39.29 C ATOM 140 O ASN 238 8.457 44.685 55.827 1.00 39.29 O ATOM 141 N LEU 239 7.279 42.892 56.506 1.00 38.92 N ATOM 142 CA LEU 239 6.987 43.481 57.781 1.00 38.92 C ATOM 143 CB LEU 239 6.068 42.606 58.650 0.50 38.92 C ATOM 144 CG LEU 239 5.783 43.222 60.032 0.50 38.92 C ATOM 145 CD1 LEU 239 5.062 44.572 59.903 0.50 38.92 C ATOM 146 CD2 LEU 239 5.033 42.236 60.941 0.50 38.92 C ATOM 147 C LEU 239 8.274 43.661 58.526 1.00 38.92 C ATOM 148 O LEU 239 8.492 44.678 59.183 1.00 38.92 O ATOM 149 N ASN 240 9.173 42.666 58.425 1.00 71.28 N ATOM 150 CA ASN 240 10.421 42.701 59.134 1.00 71.28 C ATOM 151 CB ASN 240 11.284 41.464 58.833 1.00 71.28 C ATOM 152 CG ASN 240 12.495 41.467 59.750 1.00 71.28 C ATOM 153 OD1 ASN 240 12.626 42.308 60.638 1.00 71.28 O ATOM 154 ND2 ASN 240 13.417 40.493 59.527 1.00 71.28 N ATOM 155 C ASN 240 11.209 43.897 58.696 1.00 71.28 C ATOM 156 O ASN 240 11.731 44.645 59.522 1.00 71.28 O ATOM 157 N ARG 241 11.292 44.113 57.370 1.00134.18 N ATOM 158 CA ARG 241 12.047 45.184 56.780 1.00134.18 C ATOM 159 CB ARG 241 11.959 45.143 55.243 1.00134.18 C ATOM 160 CG ARG 241 12.671 46.290 54.528 1.00134.18 C ATOM 161 CD ARG 241 12.338 46.351 53.036 1.00134.18 C ATOM 162 NE ARG 241 12.956 45.157 52.397 1.00134.18 N ATOM 163 CZ ARG 241 12.507 44.705 51.190 1.00134.18 C ATOM 164 NH1 ARG 241 11.439 45.301 50.583 1.00134.18 N ATOM 165 NH2 ARG 241 13.133 43.650 50.592 1.00134.18 N ATOM 166 C ARG 241 11.477 46.497 57.218 1.00134.18 C ATOM 167 O ARG 241 12.207 47.421 57.573 1.00134.18 O ATOM 168 N HIS 242 10.137 46.590 57.223 1.00 56.53 N ATOM 169 CA HIS 242 9.424 47.793 57.540 1.00 56.53 C ATOM 170 ND1 HIS 242 6.882 49.916 57.148 1.00 56.53 N ATOM 171 CG HIS 242 7.138 48.806 57.922 1.00 56.53 C ATOM 172 CB HIS 242 7.903 47.604 57.459 1.00 56.53 C ATOM 173 NE2 HIS 242 5.951 50.295 59.133 1.00 56.53 N ATOM 174 CD2 HIS 242 6.563 49.055 59.130 1.00 56.53 C ATOM 175 CE1 HIS 242 6.170 50.775 57.922 1.00 56.53 C ATOM 176 C HIS 242 9.730 48.217 58.939 1.00 56.53 C ATOM 177 O HIS 242 9.905 49.400 59.214 1.00 56.53 O ATOM 178 N MET 243 9.839 47.253 59.862 1.00 49.26 N ATOM 179 CA MET 243 10.039 47.538 61.256 1.00 49.26 C ATOM 180 CB MET 243 10.186 46.238 62.062 1.00 49.26 C ATOM 181 CG MET 243 8.943 45.349 61.987 1.00 49.26 C ATOM 182 SD MET 243 9.208 43.642 62.559 1.00 49.26 S ATOM 183 CE MET 243 9.453 44.090 64.301 1.00 49.26 C ATOM 184 C MET 243 11.315 48.308 61.404 1.00 49.26 C ATOM 185 O MET 243 11.429 49.208 62.236 1.00 49.26 O ATOM 186 N LYS 244 12.313 47.977 60.573 1.00104.94 N ATOM 187 CA LYS 244 13.606 48.577 60.650 1.00104.94 C ATOM 188 CB LYS 244 14.556 48.046 59.564 1.00104.94 C ATOM 189 CG LYS 244 15.947 48.673 59.619 1.00104.94 C ATOM 190 CD LYS 244 16.985 47.951 58.759 1.00104.94 C ATOM 191 CE LYS 244 18.308 48.710 58.633 1.00104.94 C ATOM 192 NZ LYS 244 19.000 48.741 59.939 1.00104.94 N ATOM 193 C LYS 244 13.504 50.055 60.463 1.00104.94 C ATOM 194 O LYS 244 14.248 50.804 61.089 1.00104.94 O ATOM 195 N ILE 245 12.585 50.536 59.604 1.00 93.06 N ATOM 196 CA ILE 245 12.572 51.947 59.334 1.00 93.06 C ATOM 197 CB ILE 245 11.531 52.379 58.333 1.00 93.06 C ATOM 198 CG1 ILE 245 10.108 52.107 58.854 1.00 93.06 C ATOM 199 CG2 ILE 245 11.856 51.696 56.993 1.00 93.06 C ATOM 200 CD1 ILE 245 9.009 52.797 58.043 1.00 93.06 C ATOM 201 C ILE 245 12.313 52.700 60.596 1.00 93.06 C ATOM 202 O ILE 245 12.992 53.682 60.890 1.00 93.06 O ATOM 203 N HIS 246 11.329 52.261 61.395 1.00 49.24 N ATOM 204 CA HIS 246 11.033 53.012 62.571 1.00 49.24 C ATOM 205 ND1 HIS 246 8.023 53.839 62.009 1.00 49.24 N ATOM 206 CG HIS 246 8.554 52.642 62.437 1.00 49.24 C ATOM 207 CB HIS 246 9.779 52.517 63.295 1.00 49.24 C ATOM 208 NE2 HIS 246 6.706 52.235 61.214 1.00 49.24 N ATOM 209 CD2 HIS 246 7.740 51.674 61.941 1.00 49.24 C ATOM 210 CE1 HIS 246 6.919 53.536 61.281 1.00 49.24 C ATOM 211 C HIS 246 12.203 52.941 63.493 1.00 49.24 C ATOM 212 O HIS 246 12.575 53.933 64.118 1.00 49.24 O ATOM 213 N SER 247 12.828 51.754 63.595 1.00 57.36 N ATOM 214 CA SER 247 13.948 51.605 64.476 1.00 57.36 C ATOM 215 CB SER 247 14.521 50.179 64.469 1.00 57.36 C ATOM 216 OG SER 247 15.626 50.091 65.355 1.00 57.36 O ATOM 217 C SER 247 15.018 52.534 64.006 1.00 57.36 C ATOM 218 O SER 247 15.732 53.135 64.807 1.00 57.36 O ATOM 219 N ASP 248 15.137 52.679 62.677 1.00 60.71 N ATOM 220 CA ASP 248 16.122 53.522 62.068 1.00 60.71 C ATOM 221 CB ASP 248 15.991 53.558 60.529 1.00 60.71 C ATOM 222 CG ASP 248 17.158 54.330 59.927 1.00 60.71 C ATOM 223 OD1 ASP 248 17.407 55.484 60.366 1.00 60.71 O ATOM 224 OD2 ASP 248 17.821 53.769 59.014 1.00 60.71 O ATOM 225 C ASP 248 15.913 54.937 62.596 1.00 60.71 C ATOM 226 O ASP 248 16.500 55.266 63.661 1.00 60.71 O ATOM 227 OXT ASP 248 15.166 55.709 61.935 1.00 60.71 O