EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 107.1880 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.172 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1884.04504 REMARK 6 GA341 score: 0.99999 REMARK 6 Normalized DOPE score: -1.41906 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 55.2% ATOM 1 N GLU 287 -12.709 45.062 62.583 1.00 90.47 N ATOM 2 CA GLU 287 -12.236 46.223 61.799 1.00 90.47 C ATOM 3 CB GLU 287 -12.364 47.512 62.625 1.00 90.47 C ATOM 4 CG GLU 287 -13.807 47.807 63.041 1.00 90.47 C ATOM 5 CD GLU 287 -14.687 47.731 61.801 1.00 90.47 C ATOM 6 OE1 GLU 287 -15.159 46.607 61.483 1.00 90.47 O ATOM 7 OE2 GLU 287 -14.898 48.792 61.155 1.00 90.47 O ATOM 8 C GLU 287 -10.803 46.032 61.423 1.00 90.47 C ATOM 9 O GLU 287 -10.286 44.916 61.455 1.00 90.47 O ATOM 10 N LYS 288 -10.125 47.127 61.026 1.00 74.75 N ATOM 11 CA LYS 288 -8.746 46.991 60.656 1.00 74.75 C ATOM 12 CB LYS 288 -8.468 47.470 59.223 1.00 74.75 C ATOM 13 CG LYS 288 -9.189 46.654 58.147 1.00 74.75 C ATOM 14 CD LYS 288 -9.180 47.332 56.775 1.00 74.75 C ATOM 15 CE LYS 288 -9.882 46.525 55.678 1.00 74.75 C ATOM 16 NZ LYS 288 -9.179 45.240 55.461 1.00 74.75 N ATOM 17 C LYS 288 -7.943 47.857 61.576 1.00 74.75 C ATOM 18 O LYS 288 -7.744 49.046 61.336 1.00 74.75 O ATOM 19 N PRO 289 -7.500 47.260 62.642 1.00162.98 N ATOM 20 CA PRO 289 -6.726 47.977 63.622 1.00162.98 C ATOM 21 CD PRO 289 -8.314 46.218 63.251 1.00162.98 C ATOM 22 CB PRO 289 -6.804 47.146 64.902 1.00162.98 C ATOM 23 CG PRO 289 -8.129 46.381 64.766 1.00162.98 C ATOM 24 C PRO 289 -5.312 48.332 63.260 1.00162.98 C ATOM 25 O PRO 289 -4.752 49.202 63.927 1.00162.98 O ATOM 26 N PHE 290 -4.695 47.691 62.250 1.00113.07 N ATOM 27 CA PHE 290 -3.300 47.968 62.038 1.00113.07 C ATOM 28 CB PHE 290 -2.462 46.688 61.867 1.00113.07 C ATOM 29 CG PHE 290 -2.542 45.923 63.148 1.00113.07 C ATOM 30 CD1 PHE 290 -1.758 46.264 64.224 1.00113.07 C ATOM 31 CD2 PHE 290 -3.400 44.857 63.278 1.00113.07 C ATOM 32 CE1 PHE 290 -1.825 45.561 65.403 1.00113.07 C ATOM 33 CE2 PHE 290 -3.474 44.147 64.455 1.00113.07 C ATOM 34 CZ PHE 290 -2.687 44.499 65.525 1.00113.07 C ATOM 35 C PHE 290 -3.138 48.803 60.809 1.00113.07 C ATOM 36 O PHE 290 -3.525 48.398 59.714 1.00113.07 O ATOM 37 N THR 291 -2.504 49.990 60.958 1.00108.15 N ATOM 38 CA THR 291 -2.392 50.900 59.852 1.00108.15 C ATOM 39 CB THR 291 -2.904 52.279 60.158 0.50108.15 C ATOM 40 OG1 THR 291 -2.112 52.891 61.166 1.00108.15 O ATOM 41 CG2 THR 291 -4.363 52.155 60.629 1.00108.15 C ATOM 42 C THR 291 -0.961 51.059 59.442 1.00108.15 C ATOM 43 O THR 291 -0.045 51.061 60.264 1.00108.15 O ATOM 44 N CYS 292 -0.752 51.198 58.118 1.00 36.32 N ATOM 45 CA CYS 292 0.559 51.391 57.570 1.00 36.32 C ATOM 46 CB CYS 292 0.691 50.893 56.119 1.00 36.32 C ATOM 47 SG CYS 292 2.356 51.144 55.437 1.00 36.32 S ATOM 48 C CYS 292 0.801 52.864 57.580 1.00 36.32 C ATOM 49 O CYS 292 -0.040 53.658 57.161 1.00 36.32 O ATOM 50 N THR 293 1.975 53.263 58.096 1.00 41.40 N ATOM 51 CA THR 293 2.331 54.640 58.234 1.00 41.40 C ATOM 52 CB THR 293 3.618 54.817 58.984 1.00 41.40 C ATOM 53 OG1 THR 293 3.516 54.232 60.273 1.00 41.40 O ATOM 54 CG2 THR 293 3.908 56.320 59.113 1.00 41.40 C ATOM 55 C THR 293 2.505 55.283 56.894 1.00 41.40 C ATOM 56 O THR 293 2.153 56.451 56.720 1.00 41.40 O ATOM 57 N GLN 294 3.116 54.577 55.920 1.00100.44 N ATOM 58 CA GLN 294 3.354 55.266 54.685 1.00100.44 C ATOM 59 CB GLN 294 4.295 54.506 53.735 1.00100.44 C ATOM 60 CG GLN 294 4.542 55.259 52.426 1.00100.44 C ATOM 61 CD GLN 294 5.586 54.504 51.617 1.00100.44 C ATOM 62 OE1 GLN 294 5.729 54.719 50.414 1.00100.44 O ATOM 63 NE2 GLN 294 6.344 53.598 52.291 1.00100.44 N ATOM 64 C GLN 294 2.087 55.556 53.927 1.00100.44 C ATOM 65 O GLN 294 1.776 56.716 53.663 1.00100.44 O ATOM 66 N CYS 295 1.329 54.502 53.551 1.00 60.05 N ATOM 67 CA CYS 295 0.110 54.633 52.788 1.00 60.05 C ATOM 68 CB CYS 295 -0.280 53.332 52.060 1.00 60.05 C ATOM 69 SG CYS 295 -0.474 51.921 53.186 1.00 60.05 S ATOM 70 C CYS 295 -1.043 55.084 53.633 1.00 60.05 C ATOM 71 O CYS 295 -1.865 55.886 53.195 1.00 60.05 O ATOM 72 N GLY 296 -1.138 54.576 54.878 1.00 24.13 N ATOM 73 CA GLY 296 -2.237 54.931 55.728 1.00 24.13 C ATOM 74 C GLY 296 -3.326 53.903 55.592 1.00 24.13 C ATOM 75 O GLY 296 -4.401 54.056 56.168 1.00 24.13 O ATOM 76 N LYS 297 -3.081 52.822 54.824 1.00 36.59 N ATOM 77 CA LYS 297 -4.070 51.793 54.652 1.00 36.59 C ATOM 78 CB LYS 297 -3.735 50.820 53.508 1.00 36.59 C ATOM 79 CG LYS 297 -4.799 49.748 53.261 1.00 36.59 C ATOM 80 CD LYS 297 -4.610 48.997 51.939 1.00 36.59 C ATOM 81 CE LYS 297 -5.661 47.914 51.691 1.00 36.59 C ATOM 82 NZ LYS 297 -5.414 47.254 50.390 1.00 36.59 N ATOM 83 C LYS 297 -4.150 51.002 55.924 1.00 36.59 C ATOM 84 O LYS 297 -3.163 50.872 56.646 1.00 36.59 O ATOM 85 N SER 298 -5.346 50.453 56.233 1.00 37.40 N ATOM 86 CA SER 298 -5.519 49.715 57.455 1.00 37.40 C ATOM 87 CB SER 298 -6.743 50.164 58.271 1.00 37.40 C ATOM 88 OG SER 298 -6.565 51.500 58.717 1.00 37.40 O ATOM 89 C SER 298 -5.714 48.271 57.115 1.00 37.40 C ATOM 90 O SER 298 -6.215 47.935 56.043 1.00 37.40 O ATOM 91 N PHE 299 -5.306 47.370 58.034 1.00 47.57 N ATOM 92 CA PHE 299 -5.413 45.963 57.768 1.00 47.57 C ATOM 93 CB PHE 299 -4.052 45.290 57.516 1.00 47.57 C ATOM 94 CG PHE 299 -3.467 45.894 56.283 1.00 47.57 C ATOM 95 CD1 PHE 299 -2.787 47.089 56.348 1.00 47.57 C ATOM 96 CD2 PHE 299 -3.591 45.268 55.064 1.00 47.57 C ATOM 97 CE1 PHE 299 -2.243 47.653 55.218 1.00 47.57 C ATOM 98 CE2 PHE 299 -3.048 45.826 53.930 1.00 47.57 C ATOM 99 CZ PHE 299 -2.375 47.021 54.004 1.00 47.57 C ATOM 100 C PHE 299 -6.023 45.279 58.950 1.00 47.57 C ATOM 101 O PHE 299 -5.915 45.735 60.088 1.00 47.57 O ATOM 102 N SER 300 -6.706 44.151 58.679 1.00 77.27 N ATOM 103 CA SER 300 -7.367 43.364 59.678 1.00 77.27 C ATOM 104 CB SER 300 -8.281 42.291 59.074 1.00 77.27 C ATOM 105 OG SER 300 -8.903 41.554 60.115 1.00 77.27 O ATOM 106 C SER 300 -6.370 42.665 60.552 1.00 77.27 C ATOM 107 O SER 300 -6.674 42.367 61.707 1.00 77.27 O ATOM 108 N GLN 301 -5.162 42.354 60.039 1.00 46.19 N ATOM 109 CA GLN 301 -4.250 41.643 60.893 1.00 46.19 C ATOM 110 CB GLN 301 -4.182 40.134 60.602 1.00 46.19 C ATOM 111 CG GLN 301 -5.513 39.441 60.914 1.00 46.19 C ATOM 112 CD GLN 301 -5.375 37.946 60.670 1.00 46.19 C ATOM 113 OE1 GLN 301 -5.022 37.506 59.577 1.00 46.19 O ATOM 114 NE2 GLN 301 -5.662 37.139 61.726 1.00 46.19 N ATOM 115 C GLN 301 -2.872 42.228 60.810 1.00 46.19 C ATOM 116 O GLN 301 -2.436 42.724 59.772 1.00 46.19 O ATOM 117 N SER 302 -2.149 42.166 61.949 1.00 31.18 N ATOM 118 CA SER 302 -0.841 42.737 62.101 1.00 31.18 C ATOM 119 CB SER 302 -0.318 42.660 63.547 1.00 31.18 C ATOM 120 OG SER 302 -0.126 41.307 63.933 1.00 31.18 O ATOM 121 C SER 302 0.152 42.048 61.218 1.00 31.18 C ATOM 122 O SER 302 1.058 42.690 60.689 1.00 31.18 O ATOM 123 N SER 303 0.025 40.721 61.035 1.00 24.06 N ATOM 124 CA SER 303 0.979 40.015 60.227 1.00 24.06 C ATOM 125 CB SER 303 0.729 38.499 60.204 1.00 24.06 C ATOM 126 OG SER 303 -0.534 38.225 59.618 1.00 24.06 O ATOM 127 C SER 303 0.870 40.518 58.823 1.00 24.06 C ATOM 128 O SER 303 1.873 40.677 58.127 1.00 24.06 O ATOM 129 N HIS 304 -0.369 40.789 58.378 1.00 39.30 N ATOM 130 CA HIS 304 -0.604 41.257 57.045 1.00 39.30 C ATOM 131 ND1 HIS 304 -2.603 39.060 55.882 1.00 39.30 N ATOM 132 CG HIS 304 -2.834 40.100 56.753 1.00 39.30 C ATOM 133 CB HIS 304 -2.097 41.403 56.710 1.00 39.30 C ATOM 134 NE2 HIS 304 -4.233 38.399 57.240 1.00 39.30 N ATOM 135 CD2 HIS 304 -3.832 39.680 57.577 1.00 39.30 C ATOM 136 CE1 HIS 304 -3.466 38.069 56.217 1.00 39.30 C ATOM 137 C HIS 304 0.014 42.609 56.897 1.00 39.30 C ATOM 138 O HIS 304 0.552 42.941 55.844 1.00 39.30 O ATOM 139 N LEU 305 -0.067 43.439 57.954 1.00 39.48 N ATOM 140 CA LEU 305 0.483 44.761 57.888 1.00 39.48 C ATOM 141 CB LEU 305 0.262 45.569 59.178 0.50 39.48 C ATOM 142 CG LEU 305 0.927 46.958 59.145 0.50 39.48 C ATOM 143 CD1 LEU 305 0.341 47.839 58.031 0.50 39.48 C ATOM 144 CD2 LEU 305 0.885 47.628 60.527 0.50 39.48 C ATOM 145 C LEU 305 1.959 44.663 57.680 1.00 39.48 C ATOM 146 O LEU 305 2.530 45.402 56.881 1.00 39.48 O ATOM 147 N ASN 306 2.622 43.730 58.387 1.00 70.33 N ATOM 148 CA ASN 306 4.051 43.630 58.293 1.00 70.33 C ATOM 149 CB ASN 306 4.634 42.555 59.226 1.00 70.33 C ATOM 150 CG ASN 306 6.150 42.687 59.203 1.00 70.33 C ATOM 151 OD1 ASN 306 6.783 42.548 58.157 1.00 70.33 O ATOM 152 ND2 ASN 306 6.752 42.971 60.389 1.00 70.33 N ATOM 153 C ASN 306 4.462 43.294 56.893 1.00 70.33 C ATOM 154 O ASN 306 5.392 43.894 56.356 1.00 70.33 O ATOM 155 N GLN 307 3.777 42.324 56.254 1.00 30.11 N ATOM 156 CA GLN 307 4.132 41.911 54.924 1.00 30.11 C ATOM 157 CB GLN 307 3.269 40.741 54.417 1.00 30.11 C ATOM 158 CG GLN 307 3.433 39.451 55.221 1.00 30.11 C ATOM 159 CD GLN 307 2.521 38.404 54.598 1.00 30.11 C ATOM 160 OE1 GLN 307 1.824 38.673 53.620 1.00 30.11 O ATOM 161 NE2 GLN 307 2.522 37.173 55.176 1.00 30.11 N ATOM 162 C GLN 307 3.896 43.053 53.987 1.00 30.11 C ATOM 163 O GLN 307 4.693 43.309 53.087 1.00 30.11 O ATOM 164 N HIS 308 2.791 43.788 54.205 1.00 58.51 N ATOM 165 CA HIS 308 2.393 44.867 53.347 1.00 58.51 C ATOM 166 ND1 HIS 308 0.221 46.807 51.796 1.00 58.51 N ATOM 167 CG HIS 308 0.790 46.791 53.051 1.00 58.51 C ATOM 168 CB HIS 308 1.106 45.552 53.831 1.00 58.51 C ATOM 169 NE2 HIS 308 0.572 48.929 52.365 1.00 58.51 N ATOM 170 CD2 HIS 308 0.997 48.093 53.382 1.00 58.51 C ATOM 171 CE1 HIS 308 0.114 48.110 51.434 1.00 58.51 C ATOM 172 C HIS 308 3.457 45.916 53.308 1.00 58.51 C ATOM 173 O HIS 308 3.753 46.463 52.248 1.00 58.51 O ATOM 174 N ILE 309 4.081 46.203 54.462 1.00 50.14 N ATOM 175 CA ILE 309 5.068 47.240 54.572 1.00 50.14 C ATOM 176 CB ILE 309 5.625 47.361 55.961 1.00 50.14 C ATOM 177 CG1 ILE 309 4.510 47.777 56.936 1.00 50.14 C ATOM 178 CG2 ILE 309 6.816 48.333 55.921 1.00 50.14 C ATOM 179 CD1 ILE 309 4.897 47.645 58.408 1.00 50.14 C ATOM 180 C ILE 309 6.203 46.953 53.638 1.00 50.14 C ATOM 181 O ILE 309 6.797 47.869 53.071 1.00 50.14 O ATOM 182 N MET 310 6.530 45.666 53.437 1.00 96.65 N ATOM 183 CA MET 310 7.650 45.294 52.623 1.00 96.65 C ATOM 184 CB MET 310 7.821 43.772 52.487 1.00 96.65 C ATOM 185 CG MET 310 8.197 43.081 53.799 1.00 96.65 C ATOM 186 SD MET 310 9.826 43.552 54.453 1.00 96.65 S ATOM 187 CE MET 310 9.755 42.423 55.873 1.00 96.65 C ATOM 188 C MET 310 7.449 45.836 51.248 1.00 96.65 C ATOM 189 O MET 310 8.419 46.203 50.587 1.00 96.65 O ATOM 190 N SER 311 6.190 45.898 50.774 1.00 42.40 N ATOM 191 CA SER 311 5.950 46.359 49.438 1.00 42.40 C ATOM 192 CB SER 311 4.452 46.471 49.095 1.00 42.40 C ATOM 193 OG SER 311 3.839 47.484 49.879 1.00 42.40 O ATOM 194 C SER 311 6.551 47.718 49.283 1.00 42.40 C ATOM 195 O SER 311 7.222 47.999 48.290 1.00 42.40 O ATOM 196 N HIS 312 6.331 48.616 50.254 1.00 58.34 N ATOM 197 CA HIS 312 6.913 49.909 50.086 1.00 58.34 C ATOM 198 ND1 HIS 312 4.270 51.826 50.332 1.00 58.34 N ATOM 199 CG HIS 312 4.991 51.078 51.236 1.00 58.34 C ATOM 200 CB HIS 312 6.478 50.894 51.183 1.00 58.34 C ATOM 201 NE2 HIS 312 2.804 51.008 51.791 1.00 58.34 N ATOM 202 CD2 HIS 312 4.079 50.585 52.120 1.00 58.34 C ATOM 203 CE1 HIS 312 2.969 51.750 50.711 1.00 58.34 C ATOM 204 C HIS 312 8.406 49.800 50.147 1.00 58.34 C ATOM 205 O HIS 312 9.105 50.221 49.226 1.00 58.34 O ATOM 206 N THR 313 8.935 49.221 51.245 1.00132.55 N ATOM 207 CA THR 313 10.358 49.206 51.432 1.00132.55 C ATOM 208 CB THR 313 10.730 48.654 52.771 1.00132.55 C ATOM 209 OG1 THR 313 10.093 49.399 53.795 1.00132.55 O ATOM 210 CG2 THR 313 12.255 48.739 52.929 1.00132.55 C ATOM 211 C THR 313 11.079 48.367 50.423 1.00132.55 C ATOM 212 O THR 313 11.779 48.884 49.554 1.00132.55 O ATOM 213 N GLY 314 10.905 47.032 50.513 1.00101.39 N ATOM 214 CA GLY 314 11.625 46.141 49.650 1.00101.39 C ATOM 215 C GLY 314 11.102 46.246 48.265 1.00101.39 C ATOM 216 O GLY 314 11.862 46.414 47.312 1.00101.39 O ATOM 217 N GLU 315 9.763 46.167 48.149 1.00100.38 N ATOM 218 CA GLU 315 9.079 46.189 46.892 1.00100.38 C ATOM 219 CB GLU 315 9.825 45.456 45.761 1.00100.38 C ATOM 220 CG GLU 315 9.133 45.545 44.398 1.00100.38 C ATOM 221 CD GLU 315 8.089 44.440 44.309 1.00100.38 C ATOM 222 OE1 GLU 315 8.119 43.522 45.171 1.00100.38 O ATOM 223 OE2 GLU 315 7.251 44.496 43.369 1.00100.38 O ATOM 224 C GLU 315 7.775 45.433 47.113 1.00100.38 C ATOM 225 O GLU 315 7.847 44.266 47.584 1.00100.38 O ATOM 226 OXT GLU 315 6.694 46.006 46.809 1.00100.38 O