EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:11:23 REMARK 6 MODELLER OBJECTIVE FUNCTION: 115.8714 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1737.06311 REMARK 6 GA341 score: 0.99996 REMARK 6 Normalized DOPE score: -1.01405 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 50.0% ATOM 1 N GLU 283 8.233 24.371 47.056 1.00 65.94 N ATOM 2 CA GLU 283 7.580 25.693 47.003 1.00 65.94 C ATOM 3 CB GLU 283 7.932 26.417 45.695 1.00 65.94 C ATOM 4 CG GLU 283 7.565 25.611 44.452 1.00 65.94 C ATOM 5 CD GLU 283 7.876 26.494 43.262 1.00 65.94 C ATOM 6 OE1 GLU 283 9.074 26.599 42.886 1.00 65.94 O ATOM 7 OE2 GLU 283 6.907 27.087 42.718 1.00 65.94 O ATOM 8 C GLU 283 6.098 25.573 47.108 1.00 65.94 C ATOM 9 O GLU 283 5.540 24.483 46.988 1.00 65.94 O ATOM 10 N ARG 284 5.424 26.707 47.371 1.00100.74 N ATOM 11 CA ARG 284 3.998 26.684 47.506 1.00100.74 C ATOM 12 CB ARG 284 3.509 27.456 48.754 1.00100.74 C ATOM 13 CG ARG 284 3.899 26.770 50.067 1.00100.74 C ATOM 14 CD ARG 284 3.859 27.668 51.302 1.00100.74 C ATOM 15 NE ARG 284 4.164 26.782 52.460 1.00100.74 N ATOM 16 CZ ARG 284 5.453 26.410 52.721 1.00100.74 C ATOM 17 NH1 ARG 284 6.485 26.917 51.987 1.00100.74 N ATOM 18 NH2 ARG 284 5.704 25.504 53.710 1.00100.74 N ATOM 19 C ARG 284 3.442 27.349 46.286 1.00100.74 C ATOM 20 O ARG 284 3.437 28.572 46.148 1.00100.74 O ATOM 21 N PRO 285 2.975 26.521 45.401 1.00117.20 N ATOM 22 CA PRO 285 2.412 26.897 44.132 1.00117.20 C ATOM 23 CD PRO 285 2.780 25.117 45.710 1.00117.20 C ATOM 24 CB PRO 285 2.071 25.575 43.443 1.00117.20 C ATOM 25 CG PRO 285 1.826 24.609 44.620 1.00117.20 C ATOM 26 C PRO 285 1.197 27.775 44.220 1.00117.20 C ATOM 27 O PRO 285 1.012 28.594 43.320 1.00117.20 O ATOM 28 N TYR 286 0.362 27.651 45.274 1.00 66.01 N ATOM 29 CA TYR 286 -0.886 28.370 45.247 1.00 66.01 C ATOM 30 CB TYR 286 -2.113 27.485 45.586 1.00 66.01 C ATOM 31 CG TYR 286 -2.327 26.489 44.487 1.00 66.01 C ATOM 32 CD1 TYR 286 -2.938 26.877 43.314 1.00 66.01 C ATOM 33 CD2 TYR 286 -1.941 25.174 44.630 1.00 66.01 C ATOM 34 CE1 TYR 286 -3.152 25.982 42.293 1.00 66.01 C ATOM 35 CE2 TYR 286 -2.151 24.272 43.612 1.00 66.01 C ATOM 36 CZ TYR 286 -2.754 24.677 42.443 1.00 66.01 C ATOM 37 OH TYR 286 -2.967 23.749 41.404 1.00 66.01 O ATOM 38 C TYR 286 -0.839 29.517 46.209 1.00 66.01 C ATOM 39 O TYR 286 -0.605 29.348 47.403 1.00 66.01 O ATOM 40 N SER 287 -1.105 30.739 45.699 1.00 82.58 N ATOM 41 CA SER 287 -0.981 31.921 46.509 1.00 82.58 C ATOM 42 CB SER 287 -0.061 32.967 45.865 1.00 82.58 C ATOM 43 OG SER 287 -0.627 33.397 44.636 1.00 82.58 O ATOM 44 C SER 287 -2.321 32.579 46.702 1.00 82.58 C ATOM 45 O SER 287 -3.165 32.600 45.808 1.00 82.58 O ATOM 46 N CYS 288 -2.537 33.159 47.901 1.00 44.10 N ATOM 47 CA CYS 288 -3.778 33.815 48.202 1.00 44.10 C ATOM 48 CB CYS 288 -4.161 33.761 49.693 1.00 44.10 C ATOM 49 SG CYS 288 -5.736 34.596 50.045 1.00 44.10 S ATOM 50 C CYS 288 -3.648 35.247 47.807 1.00 44.10 C ATOM 51 O CYS 288 -2.690 35.929 48.161 1.00 44.10 O ATOM 52 N SER 289 -4.644 35.749 47.061 1.00 84.10 N ATOM 53 CA SER 289 -4.576 37.084 46.559 1.00 84.10 C ATOM 54 CB SER 289 -5.805 37.456 45.713 1.00 84.10 C ATOM 55 OG SER 289 -5.903 36.604 44.582 1.00 84.10 O ATOM 56 C SER 289 -4.539 38.063 47.686 1.00 84.10 C ATOM 57 O SER 289 -3.782 39.032 47.637 1.00 84.10 O ATOM 58 N VAL 290 -5.386 37.882 48.716 1.00135.17 N ATOM 59 CA VAL 290 -5.435 38.941 49.681 1.00135.17 C ATOM 60 CB VAL 290 -6.632 38.884 50.587 1.00135.17 C ATOM 61 CG1 VAL 290 -7.880 39.015 49.700 1.00135.17 C ATOM 62 CG2 VAL 290 -6.592 37.623 51.460 1.00135.17 C ATOM 63 C VAL 290 -4.190 39.094 50.520 1.00135.17 C ATOM 64 O VAL 290 -3.573 40.158 50.498 1.00135.17 O ATOM 65 N CYS 291 -3.809 38.055 51.300 1.00 61.50 N ATOM 66 CA CYS 291 -2.669 38.100 52.186 1.00 61.50 C ATOM 67 CB CYS 291 -2.763 37.109 53.359 1.00 61.50 C ATOM 68 SG CYS 291 -2.849 35.380 52.826 1.00 61.50 S ATOM 69 C CYS 291 -1.366 37.908 51.466 1.00 61.50 C ATOM 70 O CYS 291 -0.342 38.472 51.851 1.00 61.50 O ATOM 71 N GLY 292 -1.364 37.080 50.404 1.00 30.73 N ATOM 72 CA GLY 292 -0.159 36.851 49.661 1.00 30.73 C ATOM 73 C GLY 292 0.524 35.622 50.174 1.00 30.73 C ATOM 74 O GLY 292 1.643 35.315 49.765 1.00 30.73 O ATOM 75 N ASN 293 -0.097 34.871 51.100 1.00 89.30 N ATOM 76 CA ASN 293 0.606 33.706 51.544 1.00 89.30 C ATOM 77 CB ASN 293 0.311 33.316 52.996 1.00 89.30 C ATOM 78 CG ASN 293 1.202 34.273 53.773 1.00 89.30 C ATOM 79 OD1 ASN 293 0.765 35.310 54.271 1.00 89.30 O ATOM 80 ND2 ASN 293 2.517 33.934 53.830 1.00 89.30 N ATOM 81 C ASN 293 0.405 32.570 50.592 1.00 89.30 C ATOM 82 O ASN 293 -0.636 32.450 49.946 1.00 89.30 O ATOM 83 N ARG 294 1.432 31.701 50.487 1.00 91.46 N ATOM 84 CA ARG 294 1.396 30.640 49.522 1.00 91.46 C ATOM 85 CB ARG 294 2.690 30.595 48.679 1.00 91.46 C ATOM 86 CG ARG 294 2.901 31.917 47.927 1.00 91.46 C ATOM 87 CD ARG 294 4.146 32.025 47.035 1.00 91.46 C ATOM 88 NE ARG 294 4.184 33.429 46.526 1.00 91.46 N ATOM 89 CZ ARG 294 4.960 33.784 45.461 1.00 91.46 C ATOM 90 NH1 ARG 294 5.701 32.838 44.813 1.00 91.46 N ATOM 91 NH2 ARG 294 4.986 35.087 45.047 1.00 91.46 N ATOM 92 C ARG 294 1.199 29.329 50.235 1.00 91.46 C ATOM 93 O ARG 294 1.546 29.198 51.406 1.00 91.46 O ATOM 94 N PHE 295 0.598 28.325 49.552 1.00140.41 N ATOM 95 CA PHE 295 0.326 27.054 50.183 1.00140.41 C ATOM 96 CB PHE 295 -1.170 26.813 50.467 1.00140.41 C ATOM 97 CG PHE 295 -1.610 27.875 51.418 1.00140.41 C ATOM 98 CD1 PHE 295 -1.954 29.115 50.936 1.00140.41 C ATOM 99 CD2 PHE 295 -1.667 27.649 52.774 1.00140.41 C ATOM 100 CE1 PHE 295 -2.354 30.117 51.788 1.00140.41 C ATOM 101 CE2 PHE 295 -2.068 28.645 53.636 1.00140.41 C ATOM 102 CZ PHE 295 -2.409 29.883 53.141 1.00140.41 C ATOM 103 C PHE 295 0.756 25.943 49.273 1.00140.41 C ATOM 104 O PHE 295 0.842 26.097 48.056 1.00140.41 O ATOM 105 N THR 296 1.066 24.784 49.880 1.00107.43 N ATOM 106 CA THR 296 1.471 23.601 49.184 1.00107.43 C ATOM 107 CB THR 296 1.964 22.527 50.107 1.00107.43 C ATOM 108 OG1 THR 296 2.448 21.424 49.358 1.00107.43 O ATOM 109 CG2 THR 296 0.813 22.079 51.023 1.00107.43 C ATOM 110 C THR 296 0.320 23.033 48.411 1.00107.43 C ATOM 111 O THR 296 0.528 22.478 47.335 1.00107.43 O ATOM 112 N GLN 297 -0.918 23.129 48.946 1.00 49.95 N ATOM 113 CA GLN 297 -2.054 22.510 48.305 1.00 49.95 C ATOM 114 CB GLN 297 -2.743 21.429 49.166 1.00 49.95 C ATOM 115 CG GLN 297 -1.882 20.206 49.492 1.00 49.95 C ATOM 116 CD GLN 297 -2.593 19.413 50.590 1.00 49.95 C ATOM 117 OE1 GLN 297 -3.755 19.667 50.909 1.00 49.95 O ATOM 118 NE2 GLN 297 -1.874 18.429 51.195 1.00 49.95 N ATOM 119 C GLN 297 -3.135 23.520 48.036 1.00 49.95 C ATOM 120 O GLN 297 -3.354 24.450 48.811 1.00 49.95 O ATOM 121 N ALA 298 -3.853 23.305 46.908 1.00 30.19 N ATOM 122 CA ALA 298 -4.955 24.103 46.444 1.00 30.19 C ATOM 123 CB ALA 298 -5.568 23.586 45.126 1.00 30.19 C ATOM 124 C ALA 298 -6.052 24.022 47.452 1.00 30.19 C ATOM 125 O ALA 298 -6.682 25.024 47.782 1.00 30.19 O ATOM 126 N SER 299 -6.301 22.814 47.985 1.00 69.09 N ATOM 127 CA SER 299 -7.400 22.630 48.883 1.00 69.09 C ATOM 128 CB SER 299 -7.578 21.162 49.300 1.00 69.09 C ATOM 129 OG SER 299 -8.783 21.013 50.036 1.00 69.09 O ATOM 130 C SER 299 -7.199 23.471 50.106 1.00 69.09 C ATOM 131 O SER 299 -8.150 24.089 50.579 1.00 69.09 O ATOM 132 N SER 300 -5.961 23.529 50.643 1.00 73.87 N ATOM 133 CA SER 300 -5.685 24.307 51.820 1.00 73.87 C ATOM 134 CB SER 300 -4.242 24.172 52.325 1.00 73.87 C ATOM 135 OG SER 300 -3.985 25.174 53.297 1.00 73.87 O ATOM 136 C SER 300 -5.877 25.754 51.516 1.00 73.87 C ATOM 137 O SER 300 -6.389 26.506 52.341 1.00 73.87 O ATOM 138 N LEU 301 -5.468 26.182 50.310 1.00117.34 N ATOM 139 CA LEU 301 -5.548 27.568 49.961 1.00117.34 C ATOM 140 CB LEU 301 -5.000 27.807 48.546 1.00117.34 C ATOM 141 CG LEU 301 -4.675 29.269 48.191 1.00117.34 C ATOM 142 CD1 LEU 301 -4.383 29.378 46.695 1.00117.34 C ATOM 143 CD2 LEU 301 -5.735 30.276 48.651 1.00117.34 C ATOM 144 C LEU 301 -7.004 27.945 49.977 1.00117.34 C ATOM 145 O LEU 301 -7.388 29.012 50.454 1.00117.34 O ATOM 146 N ARG 302 -7.858 27.039 49.472 1.00139.33 N ATOM 147 CA ARG 302 -9.263 27.299 49.356 1.00139.33 C ATOM 148 CB ARG 302 -10.021 26.117 48.747 1.00139.33 C ATOM 149 CG ARG 302 -11.534 26.313 48.774 1.00139.33 C ATOM 150 CD ARG 302 -12.272 25.348 47.857 1.00139.33 C ATOM 151 NE ARG 302 -11.743 25.609 46.492 1.00139.33 N ATOM 152 CZ ARG 302 -12.366 25.079 45.403 1.00139.33 C ATOM 153 NH1 ARG 302 -13.488 24.312 45.551 1.00139.33 N ATOM 154 NH2 ARG 302 -11.856 25.315 44.160 1.00139.33 N ATOM 155 C ARG 302 -9.868 27.544 50.698 1.00139.33 C ATOM 156 O ARG 302 -10.635 28.491 50.872 1.00139.33 O ATOM 157 N LYS 303 -9.550 26.690 51.687 1.00131.27 N ATOM 158 CA LYS 303 -10.142 26.900 52.976 1.00131.27 C ATOM 159 CB LYS 303 -9.855 25.807 54.019 1.00131.27 C ATOM 160 CG LYS 303 -10.600 26.046 55.341 1.00131.27 C ATOM 161 CD LYS 303 -12.127 25.979 55.226 1.00131.27 C ATOM 162 CE LYS 303 -12.851 26.080 56.576 1.00131.27 C ATOM 163 NZ LYS 303 -12.779 24.789 57.309 1.00131.27 N ATOM 164 C LYS 303 -9.639 28.193 53.528 1.00131.27 C ATOM 165 O LYS 303 -10.386 28.934 54.165 1.00131.27 O ATOM 166 N HIS 304 -8.351 28.493 53.274 1.00 62.29 N ATOM 167 CA HIS 304 -7.722 29.687 53.755 1.00 62.29 C ATOM 168 ND1 HIS 304 -5.372 31.592 54.860 1.00 62.29 N ATOM 169 CG HIS 304 -5.640 31.105 53.598 1.00 62.29 C ATOM 170 CB HIS 304 -6.261 29.777 53.296 1.00 62.29 C ATOM 171 NE2 HIS 304 -4.715 33.155 53.419 1.00 62.29 N ATOM 172 CD2 HIS 304 -5.232 32.072 52.731 1.00 62.29 C ATOM 173 CE1 HIS 304 -4.821 32.822 54.693 1.00 62.29 C ATOM 174 C HIS 304 -8.457 30.870 53.211 1.00 62.29 C ATOM 175 O HIS 304 -8.670 31.852 53.919 1.00 62.29 O ATOM 176 N GLN 305 -8.883 30.782 51.937 1.00 56.22 N ATOM 177 CA GLN 305 -9.577 31.847 51.277 1.00 56.22 C ATOM 178 CB GLN 305 -9.931 31.484 49.817 1.00 56.22 C ATOM 179 CG GLN 305 -8.668 31.190 48.991 1.00 56.22 C ATOM 180 CD GLN 305 -9.047 30.757 47.581 1.00 56.22 C ATOM 181 OE1 GLN 305 -8.901 31.511 46.621 1.00 56.22 O ATOM 182 NE2 GLN 305 -9.543 29.499 47.445 1.00 56.22 N ATOM 183 C GLN 305 -10.820 32.109 52.074 1.00 56.22 C ATOM 184 O GLN 305 -11.219 33.260 52.238 1.00 56.22 O ATOM 185 N HIS 306 -11.450 31.047 52.614 1.00 72.19 N ATOM 186 CA HIS 306 -12.621 31.169 53.440 1.00 72.19 C ATOM 187 ND1 HIS 306 -13.881 29.121 51.396 1.00 72.19 N ATOM 188 CG HIS 306 -14.206 29.297 52.724 1.00 72.19 C ATOM 189 CB HIS 306 -13.267 29.810 53.784 1.00 72.19 C ATOM 190 NE2 HIS 306 -16.011 28.515 51.610 1.00 72.19 N ATOM 191 CD2 HIS 306 -15.511 28.920 52.834 1.00 72.19 C ATOM 192 CE1 HIS 306 -14.995 28.653 50.776 1.00 72.19 C ATOM 193 C HIS 306 -12.283 31.881 54.724 1.00 72.19 C ATOM 194 O HIS 306 -13.098 32.642 55.243 1.00 72.19 O ATOM 195 N ILE 307 -11.069 31.665 55.276 1.00 83.52 N ATOM 196 CA ILE 307 -10.718 32.285 56.528 1.00 83.52 C ATOM 197 CB ILE 307 -9.305 31.983 56.970 1.00 83.52 C ATOM 198 CG1 ILE 307 -9.124 30.494 57.327 1.00 83.52 C ATOM 199 CG2 ILE 307 -8.967 32.920 58.143 1.00 83.52 C ATOM 200 CD1 ILE 307 -9.903 30.058 58.569 1.00 83.52 C ATOM 201 C ILE 307 -10.806 33.763 56.356 1.00 83.52 C ATOM 202 O ILE 307 -11.415 34.446 57.179 1.00 83.52 O ATOM 203 N HIS 308 -10.210 34.299 55.274 1.00 43.38 N ATOM 204 CA HIS 308 -10.316 35.702 55.031 1.00 43.38 C ATOM 205 ND1 HIS 308 -7.327 37.138 55.248 1.00 43.38 N ATOM 206 CG HIS 308 -7.874 36.237 54.360 1.00 43.38 C ATOM 207 CB HIS 308 -9.329 36.218 53.964 1.00 43.38 C ATOM 208 NE2 HIS 308 -5.650 35.866 54.532 1.00 43.38 N ATOM 209 CD2 HIS 308 -6.834 35.467 53.933 1.00 43.38 C ATOM 210 CE1 HIS 308 -5.997 36.872 55.312 1.00 43.38 C ATOM 211 C HIS 308 -11.720 35.867 54.467 1.00 43.38 C ATOM 212 O HIS 308 -12.238 37.014 54.434 1.00 43.38 O ATOM 213 OXT HIS 308 -12.300 34.818 54.068 1.00 43.38 O