EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:11:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.6597 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.286 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1912.93433 REMARK 6 GA341 score: 0.78742 REMARK 6 Normalized DOPE score: -1.67804 REMARK 6 TEMPLATE: 1llmC01 101:C - 128:C MODELS 1: - 28: AT 39.3% ATOM 1 N GLU 339 -15.970 36.955 63.954 1.00 49.45 N ATOM 2 CA GLU 339 -15.540 38.345 63.693 1.00 49.45 C ATOM 3 CB GLU 339 -15.908 39.254 64.873 1.00 49.45 C ATOM 4 CG GLU 339 -17.422 39.399 65.044 1.00 49.45 C ATOM 5 CD GLU 339 -17.692 40.307 66.231 1.00 49.45 C ATOM 6 OE1 GLU 339 -16.718 40.907 66.757 1.00 49.45 O ATOM 7 OE2 GLU 339 -18.884 40.412 66.627 1.00 49.45 O ATOM 8 C GLU 339 -14.070 38.402 63.455 1.00 49.45 C ATOM 9 O GLU 339 -13.618 38.100 62.352 1.00 49.45 O ATOM 10 N LYS 340 -13.284 38.814 64.473 1.00 72.92 N ATOM 11 CA LYS 340 -11.863 38.870 64.266 1.00 72.92 C ATOM 12 CB LYS 340 -11.233 40.205 64.683 1.00 72.92 C ATOM 13 CG LYS 340 -11.735 41.390 63.863 1.00 72.92 C ATOM 14 CD LYS 340 -11.354 42.740 64.470 1.00 72.92 C ATOM 15 CE LYS 340 -11.856 43.935 63.661 1.00 72.92 C ATOM 16 NZ LYS 340 -13.320 44.071 63.829 1.00 72.92 N ATOM 17 C LYS 340 -11.231 37.819 65.121 1.00 72.92 C ATOM 18 O LYS 340 -10.996 38.017 66.312 1.00 72.92 O ATOM 19 N PRO 341 -10.968 36.697 64.516 1.00 82.62 N ATOM 20 CA PRO 341 -10.370 35.580 65.185 1.00 82.62 C ATOM 21 CD PRO 341 -11.700 36.290 63.334 1.00 82.62 C ATOM 22 CB PRO 341 -10.715 34.348 64.340 1.00 82.62 C ATOM 23 CG PRO 341 -11.135 34.909 62.976 1.00 82.62 C ATOM 24 C PRO 341 -8.906 35.693 65.462 1.00 82.62 C ATOM 25 O PRO 341 -8.424 34.920 66.286 1.00 82.62 O ATOM 26 N TYR 342 -8.163 36.608 64.813 1.00113.19 N ATOM 27 CA TYR 342 -6.748 36.539 65.038 1.00113.19 C ATOM 28 CB TYR 342 -5.933 36.398 63.744 1.00113.19 C ATOM 29 CG TYR 342 -6.312 35.075 63.174 1.00113.19 C ATOM 30 CD1 TYR 342 -7.397 34.955 62.337 1.00113.19 C ATOM 31 CD2 TYR 342 -5.585 33.951 63.494 1.00113.19 C ATOM 32 CE1 TYR 342 -7.747 33.730 61.819 1.00113.19 C ATOM 33 CE2 TYR 342 -5.930 32.725 62.979 1.00113.19 C ATOM 34 CZ TYR 342 -7.012 32.614 62.141 1.00113.19 C ATOM 35 OH TYR 342 -7.365 31.355 61.611 1.00113.19 O ATOM 36 C TYR 342 -6.282 37.750 65.763 1.00113.19 C ATOM 37 O TYR 342 -6.462 38.880 65.309 1.00113.19 O ATOM 38 N LYS 343 -5.631 37.527 66.925 1.00119.72 N ATOM 39 CA LYS 343 -5.197 38.625 67.734 1.00119.72 C ATOM 40 CB LYS 343 -5.713 38.555 69.184 0.50119.72 C ATOM 41 CG LYS 343 -5.209 37.340 69.965 0.50119.72 C ATOM 42 CD LYS 343 -5.570 37.381 71.450 0.50119.72 C ATOM 43 CE LYS 343 -7.003 36.923 71.734 1.00119.72 C ATOM 44 NZ LYS 343 -7.152 35.482 71.421 1.00119.72 N ATOM 45 C LYS 343 -3.701 38.689 67.768 1.00119.72 C ATOM 46 O LYS 343 -3.006 37.675 67.709 1.00119.72 O ATOM 47 N CYS 344 -3.183 39.931 67.856 1.00 40.55 N ATOM 48 CA CYS 344 -1.780 40.231 67.909 1.00 40.55 C ATOM 49 CB CYS 344 -1.483 41.670 67.445 1.00 40.55 C ATOM 50 SG CYS 344 0.272 42.131 67.545 1.00 40.55 S ATOM 51 C CYS 344 -1.362 40.127 69.341 1.00 40.55 C ATOM 52 O CYS 344 -2.045 40.617 70.237 1.00 40.55 O ATOM 53 N SER 345 -0.222 39.458 69.592 1.00 79.11 N ATOM 54 CA SER 345 0.270 39.243 70.921 1.00 79.11 C ATOM 55 CB SER 345 1.514 38.339 70.930 1.00 79.11 C ATOM 56 OG SER 345 1.978 38.139 72.258 1.00 79.11 O ATOM 57 C SER 345 0.669 40.541 71.554 1.00 79.11 C ATOM 58 O SER 345 0.417 40.756 72.739 1.00 79.11 O ATOM 59 N HIS 346 1.347 41.427 70.793 1.00 86.44 N ATOM 60 CA HIS 346 1.832 42.648 71.380 1.00 86.44 C ATOM 61 ND1 HIS 346 3.980 41.775 68.979 1.00 86.44 N ATOM 62 CG HIS 346 3.952 42.706 69.993 1.00 86.44 C ATOM 63 CB HIS 346 2.718 43.449 70.412 1.00 86.44 C ATOM 64 NE2 HIS 346 6.048 41.894 69.787 1.00 86.44 N ATOM 65 CD2 HIS 346 5.223 42.767 70.476 1.00 86.44 C ATOM 66 CE1 HIS 346 5.256 41.321 68.898 1.00 86.44 C ATOM 67 C HIS 346 0.716 43.564 71.801 1.00 86.44 C ATOM 68 O HIS 346 0.535 43.828 72.988 1.00 86.44 O ATOM 69 N CYS 347 -0.052 44.076 70.813 1.00 63.59 N ATOM 70 CA CYS 347 -1.130 45.012 71.014 1.00 63.59 C ATOM 71 CB CYS 347 -1.498 45.792 69.738 1.00 63.59 C ATOM 72 SG CYS 347 -1.999 44.725 68.357 1.00 63.59 S ATOM 73 C CYS 347 -2.364 44.344 71.544 1.00 63.59 C ATOM 74 O CYS 347 -3.123 44.941 72.307 1.00 63.59 O ATOM 75 N ASP 348 -2.575 43.068 71.172 1.00 71.83 N ATOM 76 CA ASP 348 -3.756 42.329 71.521 1.00 71.83 C ATOM 77 CB ASP 348 -4.069 42.361 73.027 1.00 71.83 C ATOM 78 CG ASP 348 -3.060 41.438 73.702 1.00 71.83 C ATOM 79 OD1 ASP 348 -3.093 40.213 73.408 1.00 71.83 O ATOM 80 OD2 ASP 348 -2.243 41.942 74.516 1.00 71.83 O ATOM 81 C ASP 348 -4.937 42.834 70.744 1.00 71.83 C ATOM 82 O ASP 348 -6.085 42.641 71.143 1.00 71.83 O ATOM 83 N LYS 349 -4.687 43.466 69.580 1.00 42.69 N ATOM 84 CA LYS 349 -5.762 43.882 68.727 1.00 42.69 C ATOM 85 CB LYS 349 -5.354 44.956 67.706 1.00 42.69 C ATOM 86 CG LYS 349 -6.504 45.419 66.812 1.00 42.69 C ATOM 87 CD LYS 349 -6.187 46.694 66.029 1.00 42.69 C ATOM 88 CE LYS 349 -7.334 47.158 65.131 1.00 42.69 C ATOM 89 NZ LYS 349 -6.948 48.394 64.418 1.00 42.69 N ATOM 90 C LYS 349 -6.194 42.668 67.959 1.00 42.69 C ATOM 91 O LYS 349 -5.388 41.768 67.719 1.00 42.69 O ATOM 92 N ARG 350 -7.483 42.602 67.564 1.00 92.57 N ATOM 93 CA ARG 350 -7.966 41.461 66.832 1.00 92.57 C ATOM 94 CB ARG 350 -9.325 40.923 67.320 1.00 92.57 C ATOM 95 CG ARG 350 -9.285 40.138 68.632 1.00 92.57 C ATOM 96 CD ARG 350 -10.625 39.478 68.967 1.00 92.57 C ATOM 97 NE ARG 350 -10.423 38.569 70.130 1.00 92.57 N ATOM 98 CZ ARG 350 -10.538 39.049 71.403 1.00 92.57 C ATOM 99 NH1 ARG 350 -10.799 40.371 71.617 1.00 92.57 N ATOM 100 NH2 ARG 350 -10.390 38.206 72.465 1.00 92.57 N ATOM 101 C ARG 350 -8.163 41.863 65.406 1.00 92.57 C ATOM 102 O ARG 350 -8.470 43.016 65.110 1.00 92.57 O ATOM 103 N PHE 351 -7.974 40.905 64.474 1.00 51.59 N ATOM 104 CA PHE 351 -8.125 41.216 63.081 1.00 51.59 C ATOM 105 CB PHE 351 -6.791 41.233 62.307 1.00 51.59 C ATOM 106 CG PHE 351 -5.985 42.385 62.816 1.00 51.59 C ATOM 107 CD1 PHE 351 -5.221 42.258 63.951 1.00 51.59 C ATOM 108 CD2 PHE 351 -5.993 43.593 62.155 1.00 51.59 C ATOM 109 CE1 PHE 351 -4.476 43.315 64.425 1.00 51.59 C ATOM 110 CE2 PHE 351 -5.252 44.656 62.622 1.00 51.59 C ATOM 111 CZ PHE 351 -4.492 44.518 63.760 1.00 51.59 C ATOM 112 C PHE 351 -9.019 40.203 62.440 1.00 51.59 C ATOM 113 O PHE 351 -9.099 39.049 62.862 1.00 51.59 O ATOM 114 N ARG 352 -9.737 40.657 61.396 1.00157.02 N ATOM 115 CA ARG 352 -10.670 39.887 60.628 1.00157.02 C ATOM 116 CB ARG 352 -11.485 40.769 59.661 1.00157.02 C ATOM 117 CG ARG 352 -12.584 40.025 58.901 1.00157.02 C ATOM 118 CD ARG 352 -13.521 40.935 58.097 1.00157.02 C ATOM 119 NE ARG 352 -14.419 41.644 59.057 1.00157.02 N ATOM 120 CZ ARG 352 -14.083 42.871 59.554 1.00157.02 C ATOM 121 NH1 ARG 352 -12.924 43.477 59.167 1.00157.02 N ATOM 122 NH2 ARG 352 -14.920 43.500 60.431 1.00157.02 N ATOM 123 C ARG 352 -9.943 38.834 59.842 1.00157.02 C ATOM 124 O ARG 352 -10.478 37.744 59.633 1.00157.02 O ATOM 125 N ARG 353 -8.714 39.123 59.358 1.00 96.53 N ATOM 126 CA ARG 353 -8.050 38.127 58.559 1.00 96.53 C ATOM 127 CB ARG 353 -7.816 38.538 57.096 1.00 96.53 C ATOM 128 CG ARG 353 -9.090 38.780 56.284 1.00 96.53 C ATOM 129 CD ARG 353 -8.863 38.659 54.775 1.00 96.53 C ATOM 130 NE ARG 353 -10.028 39.272 54.075 1.00 96.53 N ATOM 131 CZ ARG 353 -9.944 40.564 53.643 1.00 96.53 C ATOM 132 NH1 ARG 353 -8.777 41.254 53.803 1.00 96.53 N ATOM 133 NH2 ARG 353 -11.013 41.159 53.037 1.00 96.53 N ATOM 134 C ARG 353 -6.700 37.803 59.126 1.00 96.53 C ATOM 135 O ARG 353 -6.004 38.665 59.661 1.00 96.53 O ATOM 136 N SER 354 -6.308 36.518 58.999 1.00 68.88 N ATOM 137 CA SER 354 -5.062 36.005 59.495 1.00 68.88 C ATOM 138 CB SER 354 -4.940 34.481 59.327 1.00 68.88 C ATOM 139 OG SER 354 -3.692 34.033 59.835 1.00 68.88 O ATOM 140 C SER 354 -3.921 36.623 58.757 1.00 68.88 C ATOM 141 O SER 354 -2.884 36.925 59.343 1.00 68.88 O ATOM 142 N GLU 355 -4.080 36.819 57.439 1.00 76.41 N ATOM 143 CA GLU 355 -3.013 37.372 56.658 1.00 76.41 C ATOM 144 CB GLU 355 -3.305 37.344 55.147 1.00 76.41 C ATOM 145 CG GLU 355 -4.591 38.055 54.728 1.00 76.41 C ATOM 146 CD GLU 355 -4.891 37.622 53.300 1.00 76.41 C ATOM 147 OE1 GLU 355 -4.127 36.773 52.767 1.00 76.41 O ATOM 148 OE2 GLU 355 -5.889 38.130 52.722 1.00 76.41 O ATOM 149 C GLU 355 -2.764 38.777 57.106 1.00 76.41 C ATOM 150 O GLU 355 -1.617 39.215 57.179 1.00 76.41 O ATOM 151 N ARG 356 -3.838 39.524 57.427 1.00 31.67 N ATOM 152 CA ARG 356 -3.688 40.881 57.871 1.00 31.67 C ATOM 153 CB ARG 356 -5.026 41.616 58.078 1.00 31.67 C ATOM 154 CG ARG 356 -5.743 41.977 56.775 1.00 31.67 C ATOM 155 CD ARG 356 -7.069 42.708 56.993 1.00 31.67 C ATOM 156 NE ARG 356 -7.650 43.005 55.652 1.00 31.67 N ATOM 157 CZ ARG 356 -7.501 44.238 55.083 1.00 31.67 C ATOM 158 NH1 ARG 356 -6.840 45.232 55.748 1.00 31.67 N ATOM 159 NH2 ARG 356 -8.024 44.478 53.845 1.00 31.67 N ATOM 160 C ARG 356 -2.961 40.878 59.177 1.00 31.67 C ATOM 161 O ARG 356 -2.169 41.775 59.457 1.00 31.67 O ATOM 162 N LEU 357 -3.226 39.869 60.027 1.00 38.82 N ATOM 163 CA LEU 357 -2.578 39.798 61.303 1.00 38.82 C ATOM 164 CB LEU 357 -3.038 38.585 62.129 0.50 38.82 C ATOM 165 CG LEU 357 -2.347 38.479 63.500 0.50 38.82 C ATOM 166 CD1 LEU 357 -2.701 39.672 64.404 0.50 38.82 C ATOM 167 CD2 LEU 357 -2.633 37.121 64.159 0.50 38.82 C ATOM 168 C LEU 357 -1.103 39.657 61.095 1.00 38.82 C ATOM 169 O LEU 357 -0.309 40.310 61.770 1.00 38.82 O ATOM 170 N LYS 358 -0.690 38.806 60.140 1.00 89.34 N ATOM 171 CA LYS 358 0.714 38.579 59.948 1.00 89.34 C ATOM 172 CB LYS 358 1.022 37.517 58.880 1.00 89.34 C ATOM 173 CG LYS 358 2.523 37.281 58.686 1.00 89.34 C ATOM 174 CD LYS 358 2.850 35.993 57.927 1.00 89.34 C ATOM 175 CE LYS 358 4.337 35.823 57.608 1.00 89.34 C ATOM 176 NZ LYS 358 4.720 36.715 56.490 1.00 89.34 N ATOM 177 C LYS 358 1.386 39.850 59.534 1.00 89.34 C ATOM 178 O LYS 358 2.462 40.172 60.033 1.00 89.34 O ATOM 179 N ALA 359 0.772 40.610 58.607 1.00 25.56 N ATOM 180 CA ALA 359 1.360 41.831 58.130 1.00 25.56 C ATOM 181 CB ALA 359 0.522 42.499 57.025 1.00 25.56 C ATOM 182 C ALA 359 1.459 42.803 59.264 1.00 25.56 C ATOM 183 O ALA 359 2.461 43.497 59.416 1.00 25.56 O ATOM 184 N HIS 360 0.418 42.858 60.111 1.00 57.55 N ATOM 185 CA HIS 360 0.371 43.800 61.192 1.00 57.55 C ATOM 186 ND1 HIS 360 -1.271 45.947 63.105 1.00 57.55 N ATOM 187 CG HIS 360 -0.999 44.599 63.185 1.00 57.55 C ATOM 188 CB HIS 360 -0.931 43.675 62.007 1.00 57.55 C ATOM 189 NE2 HIS 360 -0.983 45.480 65.261 1.00 57.55 N ATOM 190 CD2 HIS 360 -0.826 44.330 64.507 1.00 57.55 C ATOM 191 CE1 HIS 360 -1.249 46.423 64.376 1.00 57.55 C ATOM 192 C HIS 360 1.519 43.565 62.126 1.00 57.55 C ATOM 193 O HIS 360 2.155 44.512 62.583 1.00 57.55 O ATOM 194 N GLU 361 1.833 42.291 62.408 1.00 72.28 N ATOM 195 CA GLU 361 2.853 41.918 63.351 1.00 72.28 C ATOM 196 CB GLU 361 2.989 40.389 63.478 1.00 72.28 C ATOM 197 CG GLU 361 1.876 39.719 64.287 1.00 72.28 C ATOM 198 CD GLU 361 2.441 39.391 65.662 1.00 72.28 C ATOM 199 OE1 GLU 361 3.328 38.498 65.731 1.00 72.28 O ATOM 200 OE2 GLU 361 2.001 40.024 66.658 1.00 72.28 O ATOM 201 C GLU 361 4.196 42.443 62.937 1.00 72.28 C ATOM 202 O GLU 361 4.986 42.867 63.779 1.00 72.28 O ATOM 203 N ILE 362 4.488 42.453 61.627 1.00 95.31 N ATOM 204 CA ILE 362 5.803 42.819 61.186 1.00 95.31 C ATOM 205 CB ILE 362 5.987 42.773 59.697 1.00 95.31 C ATOM 206 CG1 ILE 362 5.141 43.850 59.004 1.00 95.31 C ATOM 207 CG2 ILE 362 5.679 41.341 59.225 1.00 95.31 C ATOM 208 CD1 ILE 362 5.494 44.049 57.531 1.00 95.31 C ATOM 209 C ILE 362 6.095 44.211 61.636 1.00 95.31 C ATOM 210 O ILE 362 7.227 44.519 62.004 1.00 95.31 O ATOM 211 N THR 363 5.079 45.092 61.628 1.00 38.19 N ATOM 212 CA THR 363 5.311 46.464 61.967 1.00 38.19 C ATOM 213 CB THR 363 4.053 47.287 61.986 1.00 38.19 C ATOM 214 OG1 THR 363 3.176 46.842 63.011 1.00 38.19 O ATOM 215 CG2 THR 363 3.368 47.163 60.615 1.00 38.19 C ATOM 216 C THR 363 5.911 46.529 63.333 1.00 38.19 C ATOM 217 O THR 363 6.859 47.278 63.565 1.00 38.19 O ATOM 218 N HIS 364 5.385 45.739 64.283 1.00 36.33 N ATOM 219 CA HIS 364 5.921 45.795 65.608 1.00 36.33 C ATOM 220 ND1 HIS 364 3.364 46.398 67.537 1.00 36.33 N ATOM 221 CG HIS 364 3.745 45.304 66.794 1.00 36.33 C ATOM 222 CB HIS 364 5.172 44.883 66.593 1.00 36.33 C ATOM 223 NE2 HIS 364 1.496 45.480 66.753 1.00 36.33 N ATOM 224 CD2 HIS 364 2.593 44.755 66.322 1.00 36.33 C ATOM 225 CE1 HIS 364 2.009 46.457 67.479 1.00 36.33 C ATOM 226 C HIS 364 7.349 45.358 65.570 1.00 36.33 C ATOM 227 O HIS 364 8.213 46.004 66.161 1.00 36.33 O ATOM 228 N ARG 365 7.648 44.256 64.856 1.00104.41 N ATOM 229 CA ARG 365 9.005 43.796 64.871 1.00104.41 C ATOM 230 CB ARG 365 9.260 42.514 64.061 1.00104.41 C ATOM 231 CG ARG 365 10.711 42.043 64.205 1.00104.41 C ATOM 232 CD ARG 365 11.139 40.950 63.223 1.00104.41 C ATOM 233 NE ARG 365 11.272 41.593 61.887 1.00104.41 N ATOM 234 CZ ARG 365 10.447 41.217 60.867 1.00104.41 C ATOM 235 NH1 ARG 365 9.556 40.199 61.054 1.00104.41 N ATOM 236 NH2 ARG 365 10.516 41.850 59.661 1.00104.41 N ATOM 237 C ARG 365 9.873 44.851 64.275 1.00104.41 C ATOM 238 O ARG 365 10.919 45.186 64.829 1.00104.41 O ATOM 239 N GLU 366 9.458 45.425 63.132 1.00 75.79 N ATOM 240 CA GLU 366 10.306 46.415 62.541 1.00 75.79 C ATOM 241 CB GLU 366 9.936 46.780 61.092 1.00 75.79 C ATOM 242 CG GLU 366 10.901 47.795 60.475 1.00 75.79 C ATOM 243 CD GLU 366 10.595 47.916 58.990 1.00 75.79 C ATOM 244 OE1 GLU 366 9.426 47.655 58.599 1.00 75.79 O ATOM 245 OE2 GLU 366 11.533 48.267 58.226 1.00 75.79 O ATOM 246 C GLU 366 10.215 47.676 63.387 1.00 75.79 C ATOM 247 O GLU 366 11.214 47.983 64.091 1.00 75.79 O ATOM 248 OXT GLU 366 9.150 48.346 63.342 1.00 75.79 O