EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.2662 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1574.01526 REMARK 6 GA341 score: 0.88825 REMARK 6 Normalized DOPE score: -0.78783 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 52.0% ATOM 1 N GLU 315 -3.267 25.309 67.284 1.00 64.44 N ATOM 2 CA GLU 315 -4.177 24.939 66.170 1.00 64.44 C ATOM 3 CB GLU 315 -5.602 24.721 66.701 1.00 64.44 C ATOM 4 CG GLU 315 -5.719 23.524 67.641 1.00 64.44 C ATOM 5 CD GLU 315 -7.165 23.420 68.103 1.00 64.44 C ATOM 6 OE1 GLU 315 -7.593 24.281 68.918 1.00 64.44 O ATOM 7 OE2 GLU 315 -7.857 22.467 67.656 1.00 64.44 O ATOM 8 C GLU 315 -4.218 26.057 65.174 1.00 64.44 C ATOM 9 O GLU 315 -4.116 27.228 65.539 1.00 64.44 O ATOM 10 N LYS 316 -4.338 25.721 63.874 1.00 71.00 N ATOM 11 CA LYS 316 -4.397 26.746 62.868 1.00 71.00 C ATOM 12 CB LYS 316 -3.397 26.530 61.725 1.00 71.00 C ATOM 13 CG LYS 316 -1.926 26.599 62.137 1.00 71.00 C ATOM 14 CD LYS 316 -0.983 26.057 61.057 1.00 71.00 C ATOM 15 CE LYS 316 0.502 26.102 61.425 1.00 71.00 C ATOM 16 NZ LYS 316 0.891 24.862 62.136 1.00 71.00 N ATOM 17 C LYS 316 -5.752 26.673 62.232 1.00 71.00 C ATOM 18 O LYS 316 -5.967 25.920 61.283 1.00 71.00 O ATOM 19 N PRO 317 -6.670 27.439 62.754 1.00123.42 N ATOM 20 CA PRO 317 -8.024 27.454 62.264 1.00123.42 C ATOM 21 CD PRO 317 -6.595 27.821 64.152 1.00123.42 C ATOM 22 CB PRO 317 -8.884 27.995 63.415 1.00123.42 C ATOM 23 CG PRO 317 -7.882 28.617 64.405 1.00123.42 C ATOM 24 C PRO 317 -8.278 28.163 60.961 1.00123.42 C ATOM 25 O PRO 317 -9.313 27.899 60.351 1.00123.42 O ATOM 26 N PHE 318 -7.386 29.066 60.506 1.00 61.45 N ATOM 27 CA PHE 318 -7.730 29.825 59.331 1.00 61.45 C ATOM 28 CB PHE 318 -7.457 31.324 59.489 1.00 61.45 C ATOM 29 CG PHE 318 -8.382 31.750 60.565 1.00 61.45 C ATOM 30 CD1 PHE 318 -9.680 32.078 60.261 1.00 61.45 C ATOM 31 CD2 PHE 318 -7.958 31.809 61.871 1.00 61.45 C ATOM 32 CE1 PHE 318 -10.548 32.462 61.253 1.00 61.45 C ATOM 33 CE2 PHE 318 -8.824 32.194 62.865 1.00 61.45 C ATOM 34 CZ PHE 318 -10.123 32.524 62.558 1.00 61.45 C ATOM 35 C PHE 318 -6.959 29.349 58.146 1.00 61.45 C ATOM 36 O PHE 318 -5.730 29.359 58.138 1.00 61.45 O ATOM 37 N LYS 319 -7.694 28.953 57.082 1.00 89.85 N ATOM 38 CA LYS 319 -7.079 28.448 55.885 1.00 89.85 C ATOM 39 CB LYS 319 -7.654 27.092 55.439 1.00 89.85 C ATOM 40 CG LYS 319 -6.882 26.421 54.303 1.00 89.85 C ATOM 41 CD LYS 319 -7.250 24.944 54.138 1.00 89.85 C ATOM 42 CE LYS 319 -8.727 24.718 53.823 1.00 89.85 C ATOM 43 NZ LYS 319 -8.955 24.936 52.380 1.00 89.85 N ATOM 44 C LYS 319 -7.314 29.423 54.772 1.00 89.85 C ATOM 45 O LYS 319 -8.409 29.967 54.626 1.00 89.85 O ATOM 46 N CYS 320 -6.271 29.683 53.952 1.00 85.84 N ATOM 47 CA CYS 320 -6.433 30.613 52.868 1.00 85.84 C ATOM 48 CB CYS 320 -5.139 31.313 52.431 1.00 85.84 C ATOM 49 SG CYS 320 -4.110 30.271 51.370 1.00 85.84 S ATOM 50 C CYS 320 -6.994 29.882 51.689 1.00 85.84 C ATOM 51 O CYS 320 -6.595 28.763 51.369 1.00 85.84 O ATOM 52 N THR 321 -7.945 30.525 50.993 1.00111.43 N ATOM 53 CA THR 321 -8.619 29.878 49.910 1.00111.43 C ATOM 54 CB THR 321 -9.738 30.698 49.343 1.00111.43 C ATOM 55 OG1 THR 321 -9.227 31.898 48.780 1.00111.43 O ATOM 56 CG2 THR 321 -10.714 31.018 50.485 1.00111.43 C ATOM 57 C THR 321 -7.666 29.584 48.799 1.00111.43 C ATOM 58 O THR 321 -7.780 28.544 48.151 1.00111.43 O ATOM 59 N GLN 322 -6.724 30.501 48.502 1.00115.15 N ATOM 60 CA GLN 322 -5.918 30.252 47.343 1.00115.15 C ATOM 61 CB GLN 322 -5.045 31.468 46.979 1.00115.15 C ATOM 62 CG GLN 322 -5.866 32.704 46.607 1.00115.15 C ATOM 63 CD GLN 322 -4.925 33.805 46.145 1.00115.15 C ATOM 64 OE1 GLN 322 -3.881 34.049 46.750 1.00115.15 O ATOM 65 NE2 GLN 322 -5.306 34.488 45.031 1.00115.15 N ATOM 66 C GLN 322 -5.001 29.065 47.482 1.00115.15 C ATOM 67 O GLN 322 -5.174 28.068 46.780 1.00115.15 O ATOM 68 N CYS 323 -3.996 29.140 48.388 1.00 79.85 N ATOM 69 CA CYS 323 -3.043 28.062 48.509 1.00 79.85 C ATOM 70 CB CYS 323 -1.587 28.467 48.868 1.00 79.85 C ATOM 71 SG CYS 323 -1.276 29.085 50.546 1.00 79.85 S ATOM 72 C CYS 323 -3.514 26.937 49.381 1.00 79.85 C ATOM 73 O CYS 323 -3.213 25.774 49.120 1.00 79.85 O ATOM 74 N GLY 324 -4.281 27.237 50.448 1.00 29.54 N ATOM 75 CA GLY 324 -4.710 26.181 51.319 1.00 29.54 C ATOM 76 C GLY 324 -3.863 26.164 52.557 1.00 29.54 C ATOM 77 O GLY 324 -4.016 25.284 53.403 1.00 29.54 O ATOM 78 N LYS 325 -2.940 27.132 52.700 1.00 74.12 N ATOM 79 CA LYS 325 -2.119 27.170 53.877 1.00 74.12 C ATOM 80 CB LYS 325 -0.906 28.104 53.721 1.00 74.12 C ATOM 81 CG LYS 325 0.041 28.148 54.925 1.00 74.12 C ATOM 82 CD LYS 325 1.402 28.783 54.611 1.00 74.12 C ATOM 83 CE LYS 325 2.210 29.176 55.854 1.00 74.12 C ATOM 84 NZ LYS 325 2.668 27.970 56.586 1.00 74.12 N ATOM 85 C LYS 325 -2.959 27.628 55.037 1.00 74.12 C ATOM 86 O LYS 325 -3.863 28.447 54.875 1.00 74.12 O ATOM 87 N SER 326 -2.678 27.102 56.255 1.00 48.76 N ATOM 88 CA SER 326 -3.486 27.451 57.398 1.00 48.76 C ATOM 89 CB SER 326 -4.091 26.237 58.127 1.00 48.76 C ATOM 90 OG SER 326 -5.049 25.590 57.302 1.00 48.76 O ATOM 91 C SER 326 -2.667 28.224 58.392 1.00 48.76 C ATOM 92 O SER 326 -1.452 28.051 58.474 1.00 48.76 O ATOM 93 N PHE 327 -3.320 29.109 59.186 1.00 66.78 N ATOM 94 CA PHE 327 -2.597 29.951 60.104 1.00 66.78 C ATOM 95 CB PHE 327 -2.523 31.414 59.638 1.00 66.78 C ATOM 96 CG PHE 327 -1.765 31.413 58.359 1.00 66.78 C ATOM 97 CD1 PHE 327 -0.392 31.445 58.366 1.00 66.78 C ATOM 98 CD2 PHE 327 -2.431 31.369 57.154 1.00 66.78 C ATOM 99 CE1 PHE 327 0.308 31.439 57.187 1.00 66.78 C ATOM 100 CE2 PHE 327 -1.732 31.362 55.969 1.00 66.78 C ATOM 101 CZ PHE 327 -0.358 31.391 55.988 1.00 66.78 C ATOM 102 C PHE 327 -3.280 29.976 61.438 1.00 66.78 C ATOM 103 O PHE 327 -4.481 29.739 61.555 1.00 66.78 O ATOM 104 N ASN 328 -2.494 30.273 62.489 1.00102.06 N ATOM 105 CA ASN 328 -2.980 30.363 63.836 1.00102.06 C ATOM 106 CB ASN 328 -1.854 30.531 64.872 1.00102.06 C ATOM 107 CG ASN 328 -2.470 30.408 66.259 1.00102.06 C ATOM 108 OD1 ASN 328 -2.727 29.302 66.737 1.00102.06 O ATOM 109 ND2 ASN 328 -2.701 31.568 66.934 1.00102.06 N ATOM 110 C ASN 328 -3.888 31.552 63.970 1.00102.06 C ATOM 111 O ASN 328 -4.888 31.502 64.688 1.00102.06 O ATOM 112 N ARG 329 -3.572 32.675 63.292 1.00 98.43 N ATOM 113 CA ARG 329 -4.410 33.817 63.520 1.00 98.43 C ATOM 114 CB ARG 329 -3.749 34.894 64.392 1.00 98.43 C ATOM 115 CG ARG 329 -3.663 34.441 65.848 1.00 98.43 C ATOM 116 CD ARG 329 -3.018 35.452 66.790 1.00 98.43 C ATOM 117 NE ARG 329 -1.565 35.503 66.471 1.00 98.43 N ATOM 118 CZ ARG 329 -0.723 36.163 67.315 1.00 98.43 C ATOM 119 NH1 ARG 329 -1.226 36.749 68.442 1.00 98.43 N ATOM 120 NH2 ARG 329 0.611 36.231 67.040 1.00 98.43 N ATOM 121 C ARG 329 -4.859 34.432 62.235 1.00 98.43 C ATOM 122 O ARG 329 -4.208 34.328 61.196 1.00 98.43 O ATOM 123 N SER 330 -6.022 35.104 62.306 1.00 70.08 N ATOM 124 CA SER 330 -6.657 35.705 61.174 1.00 70.08 C ATOM 125 CB SER 330 -8.008 36.336 61.527 1.00 70.08 C ATOM 126 OG SER 330 -8.578 36.912 60.363 1.00 70.08 O ATOM 127 C SER 330 -5.815 36.796 60.594 1.00 70.08 C ATOM 128 O SER 330 -5.705 36.906 59.373 1.00 70.08 O ATOM 129 N SER 331 -5.194 37.630 61.447 1.00 64.46 N ATOM 130 CA SER 331 -4.440 38.744 60.946 1.00 64.46 C ATOM 131 CB SER 331 -3.812 39.593 62.067 1.00 64.46 C ATOM 132 OG SER 331 -4.835 40.172 62.864 1.00 64.46 O ATOM 133 C SER 331 -3.322 38.227 60.105 1.00 64.46 C ATOM 134 O SER 331 -3.002 38.787 59.058 1.00 64.46 O ATOM 135 N ASP 332 -2.702 37.122 60.547 1.00 34.17 N ATOM 136 CA ASP 332 -1.577 36.563 59.863 1.00 34.17 C ATOM 137 CB ASP 332 -1.016 35.336 60.610 1.00 34.17 C ATOM 138 CG ASP 332 -0.574 35.789 61.999 1.00 34.17 C ATOM 139 OD1 ASP 332 -0.290 37.004 62.175 1.00 34.17 O ATOM 140 OD2 ASP 332 -0.530 34.921 62.909 1.00 34.17 O ATOM 141 C ASP 332 -2.023 36.101 58.508 1.00 34.17 C ATOM 142 O ASP 332 -1.318 36.279 57.514 1.00 34.17 O ATOM 143 N LEU 333 -3.216 35.484 58.437 1.00103.73 N ATOM 144 CA LEU 333 -3.690 34.947 57.198 1.00103.73 C ATOM 145 CB LEU 333 -5.014 34.184 57.389 1.00103.73 C ATOM 146 CG LEU 333 -5.420 33.246 56.228 1.00103.73 C ATOM 147 CD1 LEU 333 -6.865 32.742 56.400 1.00103.73 C ATOM 148 CD2 LEU 333 -5.125 33.819 54.833 1.00103.73 C ATOM 149 C LEU 333 -3.911 36.099 56.260 1.00103.73 C ATOM 150 O LEU 333 -3.544 36.038 55.087 1.00103.73 O ATOM 151 N CYS 334 -4.475 37.209 56.780 1.00 31.03 N ATOM 152 CA CYS 334 -4.817 38.355 55.975 1.00 31.03 C ATOM 153 CB CYS 334 -5.428 39.518 56.787 1.00 31.03 C ATOM 154 SG CYS 334 -7.037 39.101 57.531 1.00 31.03 S ATOM 155 C CYS 334 -3.578 38.877 55.315 1.00 31.03 C ATOM 156 O CYS 334 -3.592 39.251 54.142 1.00 31.03 O ATOM 157 N LYS 335 -2.464 38.911 56.065 1.00 98.29 N ATOM 158 CA LYS 335 -1.203 39.393 55.572 1.00 98.29 C ATOM 159 CB LYS 335 -0.109 39.275 56.650 1.00 98.29 C ATOM 160 CG LYS 335 1.209 39.994 56.355 1.00 98.29 C ATOM 161 CD LYS 335 2.192 39.899 57.528 1.00 98.29 C ATOM 162 CE LYS 335 2.776 38.492 57.698 1.00 98.29 C ATOM 163 NZ LYS 335 3.289 38.312 59.075 1.00 98.29 N ATOM 164 C LYS 335 -0.801 38.512 54.430 1.00 98.29 C ATOM 165 O LYS 335 -0.297 38.981 53.411 1.00 98.29 O ATOM 166 N HIS 336 -1.033 37.197 54.587 1.00 43.85 N ATOM 167 CA HIS 336 -0.692 36.200 53.615 1.00 43.85 C ATOM 168 ND1 HIS 336 0.604 33.104 53.230 1.00 43.85 N ATOM 169 CG HIS 336 -0.650 33.667 53.235 1.00 43.85 C ATOM 170 CB HIS 336 -1.056 34.798 54.130 1.00 43.85 C ATOM 171 NE2 HIS 336 -0.600 31.991 51.730 1.00 43.85 N ATOM 172 CD2 HIS 336 -1.375 32.978 52.313 1.00 43.85 C ATOM 173 CE1 HIS 336 0.578 32.104 52.311 1.00 43.85 C ATOM 174 C HIS 336 -1.466 36.445 52.357 1.00 43.85 C ATOM 175 O HIS 336 -0.918 36.360 51.259 1.00 43.85 O ATOM 176 N MET 337 -2.760 36.787 52.476 1.00118.48 N ATOM 177 CA MET 337 -3.582 36.926 51.307 1.00118.48 C ATOM 178 CB MET 337 -5.054 37.250 51.630 1.00118.48 C ATOM 179 CG MET 337 -5.295 38.700 52.061 1.00118.48 C ATOM 180 SD MET 337 -6.958 39.028 52.717 1.00118.48 S ATOM 181 CE MET 337 -7.830 38.452 51.232 1.00118.48 C ATOM 182 C MET 337 -3.057 38.019 50.423 1.00118.48 C ATOM 183 O MET 337 -3.038 37.871 49.202 1.00118.48 O ATOM 184 N ARG 338 -2.606 39.148 51.003 1.00101.49 N ATOM 185 CA ARG 338 -2.144 40.228 50.178 1.00101.49 C ATOM 186 CB ARG 338 -1.601 41.436 50.967 1.00101.49 C ATOM 187 CG ARG 338 -2.660 42.409 51.485 1.00101.49 C ATOM 188 CD ARG 338 -2.052 43.619 52.199 1.00101.49 C ATOM 189 NE ARG 338 -3.143 44.604 52.424 1.00101.49 N ATOM 190 CZ ARG 338 -3.289 45.168 53.656 1.00101.49 C ATOM 191 NH1 ARG 338 -2.450 44.797 54.665 1.00101.49 N ATOM 192 NH2 ARG 338 -4.274 46.090 53.875 1.00101.49 N ATOM 193 C ARG 338 -1.008 39.732 49.347 1.00101.49 C ATOM 194 O ARG 338 -0.952 39.983 48.143 1.00101.49 O ATOM 195 N ILE 339 -0.070 38.991 49.961 1.00 69.74 N ATOM 196 CA ILE 339 1.044 38.527 49.195 1.00 69.74 C ATOM 197 CB ILE 339 2.201 38.071 50.031 1.00 69.74 C ATOM 198 CG1 ILE 339 2.741 39.249 50.856 1.00 69.74 C ATOM 199 CG2 ILE 339 3.248 37.470 49.078 1.00 69.74 C ATOM 200 CD1 ILE 339 3.207 40.417 49.986 1.00 69.74 C ATOM 201 C ILE 339 0.594 37.365 48.321 1.00 69.74 C ATOM 202 O ILE 339 0.788 37.476 47.081 1.00 69.74 O ATOM 203 OXT ILE 339 0.065 36.356 48.859 1.00 69.74 O