EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 112.4686 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 27.586 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1866.02917 REMARK 6 GA341 score: 0.91218 REMARK 6 Normalized DOPE score: -0.93023 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 27.6% ATOM 1 N GLY 330 -4.067 30.849 59.120 1.00 13.14 N ATOM 2 CA GLY 330 -5.013 31.409 60.112 1.00 13.14 C ATOM 3 C GLY 330 -4.332 32.434 60.955 1.00 13.14 C ATOM 4 O GLY 330 -4.680 32.625 62.119 1.00 13.14 O ATOM 5 N GLU 331 -3.326 33.122 60.382 1.00 73.40 N ATOM 6 CA GLU 331 -2.648 34.128 61.143 1.00 73.40 C ATOM 7 CB GLU 331 -1.160 34.282 60.791 1.00 73.40 C ATOM 8 CG GLU 331 -0.290 33.096 61.199 1.00 73.40 C ATOM 9 CD GLU 331 -0.401 32.021 60.123 1.00 73.40 C ATOM 10 OE1 GLU 331 -0.937 32.312 59.019 1.00 73.40 O ATOM 11 OE2 GLU 331 0.060 30.882 60.397 1.00 73.40 O ATOM 12 C GLU 331 -3.287 35.432 60.807 1.00 73.40 C ATOM 13 O GLU 331 -2.899 36.102 59.851 1.00 73.40 O ATOM 14 N ARG 332 -4.303 35.811 61.597 1.00 86.78 N ATOM 15 CA ARG 332 -5.039 37.026 61.404 1.00 86.78 C ATOM 16 CB ARG 332 -6.270 37.123 62.304 1.00 86.78 C ATOM 17 CG ARG 332 -7.429 36.208 61.926 1.00 86.78 C ATOM 18 CD ARG 332 -8.599 36.399 62.889 1.00 86.78 C ATOM 19 NE ARG 332 -9.788 35.688 62.351 1.00 86.78 N ATOM 20 CZ ARG 332 -10.905 35.618 63.132 1.00 86.78 C ATOM 21 NH1 ARG 332 -10.882 36.149 64.389 1.00 86.78 N ATOM 22 NH2 ARG 332 -12.036 35.010 62.675 1.00 86.78 N ATOM 23 C ARG 332 -4.223 38.234 61.733 1.00 86.78 C ATOM 24 O ARG 332 -4.362 39.273 61.090 1.00 86.78 O ATOM 25 N PHE 333 -3.360 38.142 62.760 1.00 65.22 N ATOM 26 CA PHE 333 -2.717 39.328 63.249 1.00 65.22 C ATOM 27 CB PHE 333 -2.450 39.256 64.763 1.00 65.22 C ATOM 28 CG PHE 333 -3.790 39.122 65.406 1.00 65.22 C ATOM 29 CD1 PHE 333 -4.359 37.879 65.578 1.00 65.22 C ATOM 30 CD2 PHE 333 -4.482 40.235 65.827 1.00 65.22 C ATOM 31 CE1 PHE 333 -5.596 37.749 66.161 1.00 65.22 C ATOM 32 CE2 PHE 333 -5.719 40.106 66.411 1.00 65.22 C ATOM 33 CZ PHE 333 -6.279 38.864 66.580 1.00 65.22 C ATOM 34 C PHE 333 -1.420 39.559 62.546 1.00 65.22 C ATOM 35 O PHE 333 -0.559 38.684 62.505 1.00 65.22 O ATOM 36 N ARG 334 -1.237 40.775 61.989 1.00 97.83 N ATOM 37 CA ARG 334 -0.025 41.047 61.270 1.00 97.83 C ATOM 38 CB ARG 334 -0.252 41.474 59.814 0.50 97.83 C ATOM 39 CG ARG 334 -1.050 40.469 58.992 0.50 97.83 C ATOM 40 CD ARG 334 -1.231 40.919 57.545 0.50 97.83 C ATOM 41 NE ARG 334 -2.013 39.865 56.845 1.00 97.83 N ATOM 42 CZ ARG 334 -1.831 39.660 55.509 1.00 97.83 C ATOM 43 NH1 ARG 334 -0.917 40.406 54.821 1.00 97.83 N ATOM 44 NH2 ARG 334 -2.564 38.706 54.862 1.00 97.83 N ATOM 45 C ARG 334 0.686 42.193 61.919 1.00 97.83 C ATOM 46 O ARG 334 0.071 43.094 62.489 1.00 97.83 O ATOM 47 N CYS 335 2.032 42.174 61.839 1.00 40.23 N ATOM 48 CA CYS 335 2.824 43.247 62.353 1.00 40.23 C ATOM 49 CB CYS 335 4.238 42.802 62.769 1.00 40.23 C ATOM 50 SG CYS 335 5.257 44.151 63.439 1.00 40.23 S ATOM 51 C CYS 335 2.943 44.234 61.234 1.00 40.23 C ATOM 52 O CYS 335 3.228 43.873 60.093 1.00 40.23 O ATOM 53 N SER 336 2.686 45.518 61.533 1.00 75.34 N ATOM 54 CA SER 336 2.698 46.511 60.501 1.00 75.34 C ATOM 55 CB SER 336 2.250 47.897 60.998 1.00 75.34 C ATOM 56 OG SER 336 0.914 47.832 61.472 1.00 75.34 O ATOM 57 C SER 336 4.083 46.646 59.947 1.00 75.34 C ATOM 58 O SER 336 4.262 46.701 58.731 1.00 75.34 O ATOM 59 N GLU 337 5.105 46.719 60.824 1.00122.17 N ATOM 60 CA GLU 337 6.446 46.926 60.349 1.00122.17 C ATOM 61 CB GLU 337 7.443 47.208 61.490 1.00122.17 C ATOM 62 CG GLU 337 8.835 47.591 60.991 1.00122.17 C ATOM 63 CD GLU 337 8.726 48.999 60.431 1.00122.17 C ATOM 64 OE1 GLU 337 7.592 49.550 60.447 1.00122.17 O ATOM 65 OE2 GLU 337 9.771 49.541 59.981 1.00122.17 O ATOM 66 C GLU 337 6.988 45.742 59.601 1.00122.17 C ATOM 67 O GLU 337 7.409 45.861 58.451 1.00122.17 O ATOM 68 N CYS 338 6.994 44.571 60.265 1.00 97.51 N ATOM 69 CA CYS 338 7.554 43.356 59.750 1.00 97.51 C ATOM 70 CB CYS 338 7.627 42.290 60.855 1.00 97.51 C ATOM 71 SG CYS 338 8.403 40.738 60.334 1.00 97.51 S ATOM 72 C CYS 338 6.722 42.825 58.633 1.00 97.51 C ATOM 73 O CYS 338 7.244 42.471 57.578 1.00 97.51 O ATOM 74 N GLY 339 5.392 42.791 58.828 1.00 23.62 N ATOM 75 CA GLY 339 4.531 42.228 57.831 1.00 23.62 C ATOM 76 C GLY 339 4.332 40.778 58.151 1.00 23.62 C ATOM 77 O GLY 339 3.649 40.068 57.417 1.00 23.62 O ATOM 78 N LYS 340 4.919 40.302 59.268 1.00146.78 N ATOM 79 CA LYS 340 4.789 38.922 59.650 1.00146.78 C ATOM 80 CB LYS 340 5.743 38.496 60.785 1.00146.78 C ATOM 81 CG LYS 340 5.492 37.082 61.314 1.00146.78 C ATOM 82 CD LYS 340 5.738 35.980 60.283 1.00146.78 C ATOM 83 CE LYS 340 7.092 36.082 59.593 1.00146.78 C ATOM 84 NZ LYS 340 8.159 35.629 60.510 1.00146.78 N ATOM 85 C LYS 340 3.398 38.695 60.137 1.00146.78 C ATOM 86 O LYS 340 2.785 39.580 60.731 1.00146.78 O ATOM 87 N ASP 341 2.866 37.483 59.874 1.00 65.86 N ATOM 88 CA ASP 341 1.535 37.132 60.287 1.00 65.86 C ATOM 89 CB ASP 341 0.764 36.313 59.233 1.00 65.86 C ATOM 90 CG ASP 341 0.686 37.130 57.950 1.00 65.86 C ATOM 91 OD1 ASP 341 1.763 37.584 57.481 1.00 65.86 O ATOM 92 OD2 ASP 341 -0.442 37.330 57.427 1.00 65.86 O ATOM 93 C ASP 341 1.656 36.252 61.494 1.00 65.86 C ATOM 94 O ASP 341 2.579 35.444 61.590 1.00 65.86 O ATOM 95 N PHE 342 0.725 36.398 62.462 1.00 62.31 N ATOM 96 CA PHE 342 0.785 35.583 63.641 1.00 62.31 C ATOM 97 CB PHE 342 1.229 36.344 64.903 1.00 62.31 C ATOM 98 CG PHE 342 2.640 36.772 64.698 1.00 62.31 C ATOM 99 CD1 PHE 342 2.917 37.952 64.045 1.00 62.31 C ATOM 100 CD2 PHE 342 3.683 36.000 65.155 1.00 62.31 C ATOM 101 CE1 PHE 342 4.214 38.358 63.849 1.00 62.31 C ATOM 102 CE2 PHE 342 4.985 36.398 64.959 1.00 62.31 C ATOM 103 CZ PHE 342 5.250 37.579 64.307 1.00 62.31 C ATOM 104 C PHE 342 -0.571 35.024 63.935 1.00 62.31 C ATOM 105 O PHE 342 -1.600 35.660 63.708 1.00 62.31 O ATOM 106 N LYS 343 -0.577 33.777 64.442 1.00 46.06 N ATOM 107 CA LYS 343 -1.757 33.065 64.823 1.00 46.06 C ATOM 108 CB LYS 343 -1.457 31.616 65.231 1.00 46.06 C ATOM 109 CG LYS 343 -0.730 30.798 64.162 1.00 46.06 C ATOM 110 CD LYS 343 -0.068 29.544 64.730 1.00 46.06 C ATOM 111 CE LYS 343 0.714 28.724 63.700 1.00 46.06 C ATOM 112 NZ LYS 343 1.386 27.583 64.362 1.00 46.06 N ATOM 113 C LYS 343 -2.352 33.729 66.027 1.00 46.06 C ATOM 114 O LYS 343 -3.573 33.773 66.178 1.00 46.06 O ATOM 115 N HIS 344 -1.495 34.250 66.935 1.00 53.19 N ATOM 116 CA HIS 344 -1.998 34.771 68.180 1.00 53.19 C ATOM 117 ND1 HIS 344 -2.122 32.005 70.279 1.00 53.19 N ATOM 118 CG HIS 344 -1.239 32.756 69.537 1.00 53.19 C ATOM 119 CB HIS 344 -1.264 34.241 69.422 1.00 53.19 C ATOM 120 NE2 HIS 344 -0.696 30.580 69.345 1.00 53.19 N ATOM 121 CD2 HIS 344 -0.376 31.871 68.974 1.00 53.19 C ATOM 122 CE1 HIS 344 -1.750 30.710 70.129 1.00 53.19 C ATOM 123 C HIS 344 -1.783 36.246 68.260 1.00 53.19 C ATOM 124 O HIS 344 -0.737 36.764 67.873 1.00 53.19 O ATOM 125 N GLU 345 -2.788 36.954 68.810 1.00105.49 N ATOM 126 CA GLU 345 -2.704 38.373 68.992 1.00105.49 C ATOM 127 CB GLU 345 -4.005 39.003 69.538 1.00105.49 C ATOM 128 CG GLU 345 -4.433 38.499 70.917 1.00105.49 C ATOM 129 CD GLU 345 -5.321 37.275 70.739 1.00105.49 C ATOM 130 OE1 GLU 345 -6.401 37.400 70.100 1.00105.49 O ATOM 131 OE2 GLU 345 -4.932 36.194 71.256 1.00105.49 O ATOM 132 C GLU 345 -1.623 38.655 69.992 1.00105.49 C ATOM 133 O GLU 345 -0.828 39.578 69.815 1.00105.49 O ATOM 134 N ARG 346 -1.557 37.847 71.069 1.00126.83 N ATOM 135 CA ARG 346 -0.595 38.097 72.105 1.00126.83 C ATOM 136 CB ARG 346 -0.726 37.185 73.339 1.00126.83 C ATOM 137 CG ARG 346 -0.506 35.689 73.100 1.00126.83 C ATOM 138 CD ARG 346 -1.786 34.854 73.152 1.00126.83 C ATOM 139 NE ARG 346 -1.395 33.449 73.471 1.00126.83 N ATOM 140 CZ ARG 346 -2.281 32.638 74.118 1.00126.83 C ATOM 141 NH1 ARG 346 -3.532 33.101 74.410 1.00126.83 N ATOM 142 NH2 ARG 346 -1.919 31.372 74.480 1.00126.83 N ATOM 143 C ARG 346 0.787 37.932 71.556 1.00126.83 C ATOM 144 O ARG 346 1.687 38.694 71.906 1.00126.83 O ATOM 145 N SER 347 0.988 36.929 70.681 1.00 23.58 N ATOM 146 CA SER 347 2.287 36.687 70.120 1.00 23.58 C ATOM 147 CB SER 347 2.315 35.492 69.152 1.00 23.58 C ATOM 148 OG SER 347 2.009 34.281 69.829 1.00 23.58 O ATOM 149 C SER 347 2.674 37.888 69.318 1.00 23.58 C ATOM 150 O SER 347 3.845 38.264 69.281 1.00 23.58 O ATOM 151 N LEU 348 1.691 38.516 68.646 1.00 38.99 N ATOM 152 CA LEU 348 1.957 39.679 67.851 1.00 38.99 C ATOM 153 CB LEU 348 0.703 40.241 67.156 0.50 38.99 C ATOM 154 CG LEU 348 0.989 41.506 66.321 0.50 38.99 C ATOM 155 CD1 LEU 348 1.925 41.190 65.145 0.50 38.99 C ATOM 156 CD2 LEU 348 -0.307 42.221 65.894 0.50 38.99 C ATOM 157 C LEU 348 2.439 40.758 68.759 1.00 38.99 C ATOM 158 O LEU 348 3.375 41.489 68.441 1.00 38.99 O ATOM 159 N ARG 349 1.803 40.872 69.936 1.00 71.74 N ATOM 160 CA ARG 349 2.091 41.937 70.848 1.00 71.74 C ATOM 161 CB ARG 349 1.227 41.841 72.113 1.00 71.74 C ATOM 162 CG ARG 349 -0.230 42.231 71.877 1.00 71.74 C ATOM 163 CD ARG 349 -1.122 42.047 73.107 1.00 71.74 C ATOM 164 NE ARG 349 -2.416 42.728 72.813 1.00 71.74 N ATOM 165 CZ ARG 349 -3.516 42.515 73.594 1.00 71.74 C ATOM 166 NH1 ARG 349 -3.470 41.597 74.604 1.00 71.74 N ATOM 167 NH2 ARG 349 -4.659 43.227 73.364 1.00 71.74 N ATOM 168 C ARG 349 3.522 41.896 71.282 1.00 71.74 C ATOM 169 O ARG 349 4.212 42.913 71.247 1.00 71.74 O ATOM 170 N ALA 350 4.008 40.716 71.694 1.00 29.62 N ATOM 171 CA ALA 350 5.356 40.609 72.167 1.00 29.62 C ATOM 172 CB ALA 350 5.695 39.196 72.666 1.00 29.62 C ATOM 173 C ALA 350 6.287 40.929 71.041 1.00 29.62 C ATOM 174 O ALA 350 7.285 41.627 71.215 1.00 29.62 O ATOM 175 N HIS 351 5.939 40.440 69.838 1.00 66.33 N ATOM 176 CA HIS 351 6.757 40.554 68.670 1.00 66.33 C ATOM 177 ND1 HIS 351 7.973 39.451 65.836 1.00 66.33 N ATOM 178 CG HIS 351 6.822 40.128 66.170 1.00 66.33 C ATOM 179 CB HIS 351 6.060 39.944 67.443 1.00 66.33 C ATOM 180 NE2 HIS 351 7.522 40.821 64.144 1.00 66.33 N ATOM 181 CD2 HIS 351 6.559 40.959 65.127 1.00 66.33 C ATOM 182 CE1 HIS 351 8.349 39.905 64.614 1.00 66.33 C ATOM 183 C HIS 351 7.038 41.991 68.375 1.00 66.33 C ATOM 184 O HIS 351 8.182 42.359 68.118 1.00 66.33 O ATOM 185 N MET 352 6.011 42.852 68.447 1.00 76.91 N ATOM 186 CA MET 352 6.184 44.233 68.094 1.00 76.91 C ATOM 187 CB MET 352 4.883 45.054 68.125 1.00 76.91 C ATOM 188 CG MET 352 3.892 44.621 67.040 1.00 76.91 C ATOM 189 SD MET 352 2.322 45.541 66.991 1.00 76.91 S ATOM 190 CE MET 352 1.616 44.580 65.619 1.00 76.91 C ATOM 191 C MET 352 7.169 44.879 69.020 1.00 76.91 C ATOM 192 O MET 352 7.908 45.779 68.623 1.00 76.91 O ATOM 193 N LYS 353 7.221 44.425 70.282 1.00106.82 N ATOM 194 CA LYS 353 8.084 45.014 71.265 1.00106.82 C ATOM 195 CB LYS 353 8.079 44.242 72.600 1.00106.82 C ATOM 196 CG LYS 353 6.777 44.354 73.397 1.00106.82 C ATOM 197 CD LYS 353 6.514 45.738 73.997 1.00106.82 C ATOM 198 CE LYS 353 5.274 45.764 74.895 1.00106.82 C ATOM 199 NZ LYS 353 5.340 46.887 75.855 1.00106.82 N ATOM 200 C LYS 353 9.490 44.963 70.764 1.00106.82 C ATOM 201 O LYS 353 10.269 45.875 71.033 1.00106.82 O ATOM 202 N LEU 354 9.853 43.897 70.029 1.00135.52 N ATOM 203 CA LEU 354 11.207 43.766 69.574 1.00135.52 C ATOM 204 CB LEU 354 11.434 42.523 68.699 1.00135.52 C ATOM 205 CG LEU 354 12.827 42.507 68.040 1.00135.52 C ATOM 206 CD1 LEU 354 13.947 42.367 69.077 1.00135.52 C ATOM 207 CD2 LEU 354 12.908 41.456 66.925 1.00135.52 C ATOM 208 C LEU 354 11.578 44.931 68.711 1.00135.52 C ATOM 209 O LEU 354 12.637 45.528 68.894 1.00135.52 O ATOM 210 N HIS 355 10.710 45.293 67.750 1.00 65.23 N ATOM 211 CA HIS 355 11.022 46.337 66.811 1.00 65.23 C ATOM 212 ND1 HIS 355 10.394 44.938 63.800 1.00 65.23 N ATOM 213 CG HIS 355 9.735 45.237 64.973 1.00 65.23 C ATOM 214 CB HIS 355 9.929 46.503 65.749 1.00 65.23 C ATOM 215 NE2 HIS 355 9.098 43.192 64.265 1.00 65.23 N ATOM 216 CD2 HIS 355 8.949 44.160 65.241 1.00 65.23 C ATOM 217 CE1 HIS 355 9.976 43.704 63.420 1.00 65.23 C ATOM 218 C HIS 355 11.150 47.635 67.525 1.00 65.23 C ATOM 219 O HIS 355 12.082 48.400 67.280 1.00 65.23 O ATOM 220 N ASN 356 10.221 47.903 68.456 1.00162.39 N ATOM 221 CA ASN 356 10.250 49.160 69.135 1.00162.39 C ATOM 222 CB ASN 356 8.872 49.630 69.632 1.00162.39 C ATOM 223 CG ASN 356 8.014 49.990 68.424 1.00162.39 C ATOM 224 OD1 ASN 356 8.436 50.748 67.552 1.00162.39 O ATOM 225 ND2 ASN 356 6.775 49.435 68.367 1.00162.39 N ATOM 226 C ASN 356 11.112 48.984 70.333 1.00162.39 C ATOM 227 O ASN 356 11.680 47.921 70.567 1.00162.39 O ATOM 228 N ALA 357 11.323 50.068 71.084 1.00157.96 N ATOM 229 CA ALA 357 12.062 49.906 72.292 1.00157.96 C ATOM 230 CB ALA 357 12.251 51.220 73.066 1.00157.96 C ATOM 231 C ALA 357 11.218 49.019 73.133 1.00157.96 C ATOM 232 O ALA 357 11.707 48.106 73.796 1.00157.96 O ATOM 233 N GLU 358 9.897 49.288 73.102 1.00 57.21 N ATOM 234 CA GLU 358 8.967 48.521 73.869 1.00 57.21 C ATOM 235 CB GLU 358 9.144 48.727 75.381 1.00 57.21 C ATOM 236 CG GLU 358 8.257 47.833 76.247 1.00 57.21 C ATOM 237 CD GLU 358 8.690 48.042 77.689 1.00 57.21 C ATOM 238 OE1 GLU 358 8.639 49.211 78.156 1.00 57.21 O ATOM 239 OE2 GLU 358 9.082 47.036 78.339 1.00 57.21 O ATOM 240 C GLU 358 7.569 48.998 73.471 1.00 57.21 C ATOM 241 O GLU 358 7.463 49.845 72.544 1.00 57.21 O ATOM 242 OXT GLU 358 6.585 48.513 74.090 1.00 57.21 O