EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.3843 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 61.905 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1203.91724 REMARK 6 GA341 score: 0.97502 REMARK 6 Normalized DOPE score: -1.40130 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 61.9% ATOM 1 N GLU 298 -20.872 19.183 44.997 1.00 65.32 N ATOM 2 CA GLU 298 -20.999 18.742 46.402 1.00 65.32 C ATOM 3 CB GLU 298 -20.246 17.422 46.646 1.00 65.32 C ATOM 4 CG GLU 298 -20.936 16.185 46.074 1.00 65.32 C ATOM 5 CD GLU 298 -20.077 14.982 46.429 1.00 65.32 C ATOM 6 OE1 GLU 298 -19.689 14.878 47.625 1.00 65.32 O ATOM 7 OE2 GLU 298 -19.804 14.152 45.522 1.00 65.32 O ATOM 8 C GLU 298 -20.440 19.750 47.344 1.00 65.32 C ATOM 9 O GLU 298 -19.294 20.182 47.212 1.00 65.32 O ATOM 10 N ARG 299 -21.266 20.175 48.313 1.00109.16 N ATOM 11 CA ARG 299 -20.807 21.098 49.303 1.00109.16 C ATOM 12 CB ARG 299 -21.601 22.415 49.257 1.00109.16 C ATOM 13 CG ARG 299 -23.112 22.220 49.370 1.00109.16 C ATOM 14 CD ARG 299 -23.902 23.438 48.887 1.00109.16 C ATOM 15 NE ARG 299 -25.347 23.086 48.931 1.00109.16 N ATOM 16 CZ ARG 299 -26.113 23.207 47.808 1.00109.16 C ATOM 17 NH1 ARG 299 -25.546 23.612 46.635 1.00109.16 N ATOM 18 NH2 ARG 299 -27.448 22.922 47.860 1.00109.16 N ATOM 19 C ARG 299 -21.001 20.421 50.620 1.00109.16 C ATOM 20 O ARG 299 -22.049 20.521 51.252 1.00109.16 O ATOM 21 N PRO 300 -19.969 19.737 51.034 1.00117.96 N ATOM 22 CA PRO 300 -19.949 18.921 52.220 1.00117.96 C ATOM 23 CD PRO 300 -18.747 19.631 50.258 1.00117.96 C ATOM 24 CB PRO 300 -18.589 18.222 52.233 1.00117.96 C ATOM 25 CG PRO 300 -18.063 18.362 50.795 1.00117.96 C ATOM 26 C PRO 300 -20.114 19.675 53.494 1.00117.96 C ATOM 27 O PRO 300 -20.622 19.100 54.454 1.00117.96 O ATOM 28 N TYR 301 -19.701 20.950 53.558 1.00 78.67 N ATOM 29 CA TYR 301 -19.707 21.524 54.867 1.00 78.67 C ATOM 30 CB TYR 301 -18.329 22.087 55.262 1.00 78.67 C ATOM 31 CG TYR 301 -17.459 20.874 55.370 1.00 78.67 C ATOM 32 CD1 TYR 301 -17.465 20.104 56.511 1.00 78.67 C ATOM 33 CD2 TYR 301 -16.643 20.488 54.330 1.00 78.67 C ATOM 34 CE1 TYR 301 -16.672 18.983 56.610 1.00 78.67 C ATOM 35 CE2 TYR 301 -15.849 19.367 54.424 1.00 78.67 C ATOM 36 CZ TYR 301 -15.862 18.605 55.565 1.00 78.67 C ATOM 37 OH TYR 301 -15.050 17.452 55.665 1.00 78.67 O ATOM 38 C TYR 301 -20.773 22.562 54.983 1.00 78.67 C ATOM 39 O TYR 301 -20.918 23.443 54.138 1.00 78.67 O ATOM 40 N SER 302 -21.578 22.448 56.059 1.00 75.43 N ATOM 41 CA SER 302 -22.660 23.364 56.255 1.00 75.43 C ATOM 42 CB SER 302 -24.038 22.676 56.326 1.00 75.43 C ATOM 43 OG SER 302 -24.064 21.726 57.381 1.00 75.43 O ATOM 44 C SER 302 -22.428 24.108 57.528 1.00 75.43 C ATOM 45 O SER 302 -21.895 23.568 58.497 1.00 75.43 O ATOM 46 N CYS 303 -22.794 25.407 57.525 1.00 89.77 N ATOM 47 CA CYS 303 -22.623 26.238 58.682 1.00 89.77 C ATOM 48 CB CYS 303 -22.538 27.741 58.378 1.00 89.77 C ATOM 49 SG CYS 303 -24.101 28.381 57.725 1.00 89.77 S ATOM 50 C CYS 303 -23.776 26.030 59.607 1.00 89.77 C ATOM 51 O CYS 303 -24.929 25.923 59.192 1.00 89.77 O ATOM 52 N THR 304 -23.476 25.980 60.915 1.00111.77 N ATOM 53 CA THR 304 -24.484 25.720 61.896 1.00111.77 C ATOM 54 CB THR 304 -23.930 25.567 63.280 1.00111.77 C ATOM 55 OG1 THR 304 -23.301 26.769 63.698 1.00111.77 O ATOM 56 CG2 THR 304 -22.916 24.410 63.266 1.00111.77 C ATOM 57 C THR 304 -25.479 26.835 61.948 1.00111.77 C ATOM 58 O THR 304 -26.674 26.586 62.101 1.00111.77 O ATOM 59 N GLU 305 -25.033 28.104 61.886 1.00 66.20 N ATOM 60 CA GLU 305 -26.025 29.128 62.067 1.00 66.20 C ATOM 61 CB GLU 305 -25.427 30.521 62.324 1.00 66.20 C ATOM 62 CG GLU 305 -26.491 31.592 62.599 1.00 66.20 C ATOM 63 CD GLU 305 -25.784 32.889 62.962 1.00 66.20 C ATOM 64 OE1 GLU 305 -24.529 32.868 63.050 1.00 66.20 O ATOM 65 OE2 GLU 305 -26.490 33.915 63.162 1.00 66.20 O ATOM 66 C GLU 305 -26.971 29.264 60.909 1.00 66.20 C ATOM 67 O GLU 305 -28.187 29.169 61.080 1.00 66.20 O ATOM 68 N CYS 306 -26.420 29.535 59.706 1.00102.61 N ATOM 69 CA CYS 306 -27.210 29.788 58.530 1.00102.61 C ATOM 70 CB CYS 306 -26.399 30.375 57.368 1.00102.61 C ATOM 71 SG CYS 306 -25.390 31.801 57.840 1.00102.61 S ATOM 72 C CYS 306 -27.775 28.525 57.976 1.00102.61 C ATOM 73 O CYS 306 -28.953 28.454 57.633 1.00102.61 O ATOM 74 N GLY 307 -26.931 27.481 57.885 1.00 29.98 N ATOM 75 CA GLY 307 -27.329 26.260 57.249 1.00 29.98 C ATOM 76 C GLY 307 -26.822 26.287 55.834 1.00 29.98 C ATOM 77 O GLY 307 -27.076 25.367 55.058 1.00 29.98 O ATOM 78 N LYS 308 -26.092 27.353 55.454 1.00 53.75 N ATOM 79 CA LYS 308 -25.568 27.434 54.118 1.00 53.75 C ATOM 80 CB LYS 308 -25.099 28.849 53.746 1.00 53.75 C ATOM 81 CG LYS 308 -24.839 29.048 52.254 1.00 53.75 C ATOM 82 CD LYS 308 -24.678 30.520 51.885 1.00 53.75 C ATOM 83 CE LYS 308 -24.339 30.758 50.418 1.00 53.75 C ATOM 84 NZ LYS 308 -23.986 32.179 50.222 1.00 53.75 N ATOM 85 C LYS 308 -24.413 26.480 53.999 1.00 53.75 C ATOM 86 O LYS 308 -23.660 26.278 54.952 1.00 53.75 O ATOM 87 N SER 309 -24.250 25.859 52.805 1.00 48.83 N ATOM 88 CA SER 309 -23.211 24.876 52.629 1.00 48.83 C ATOM 89 CB SER 309 -23.705 23.525 52.077 1.00 48.83 C ATOM 90 OG SER 309 -24.499 22.860 53.047 1.00 48.83 O ATOM 91 C SER 309 -22.172 25.393 51.682 1.00 48.83 C ATOM 92 O SER 309 -22.445 26.243 50.837 1.00 48.83 O ATOM 93 N PHE 310 -20.926 24.883 51.822 1.00 60.25 N ATOM 94 CA PHE 310 -19.831 25.340 51.011 1.00 60.25 C ATOM 95 CB PHE 310 -18.859 26.249 51.777 1.00 60.25 C ATOM 96 CG PHE 310 -19.576 27.526 52.036 1.00 60.25 C ATOM 97 CD1 PHE 310 -19.529 28.542 51.108 1.00 60.25 C ATOM 98 CD2 PHE 310 -20.297 27.707 53.191 1.00 60.25 C ATOM 99 CE1 PHE 310 -20.185 29.727 51.331 1.00 60.25 C ATOM 100 CE2 PHE 310 -20.956 28.892 53.417 1.00 60.25 C ATOM 101 CZ PHE 310 -20.904 29.904 52.487 1.00 60.25 C ATOM 102 C PHE 310 -19.034 24.179 50.498 1.00 60.25 C ATOM 103 O PHE 310 -19.026 23.089 51.067 1.00 60.25 O ATOM 104 N GLY 311 -18.342 24.423 49.369 1.00 29.29 N ATOM 105 CA GLY 311 -17.513 23.464 48.705 1.00 29.29 C ATOM 106 C GLY 311 -16.328 23.116 49.553 1.00 29.29 C ATOM 107 O GLY 311 -15.874 21.973 49.534 1.00 29.29 O ATOM 108 N GLN 312 -15.756 24.091 50.290 1.00 42.05 N ATOM 109 CA GLN 312 -14.564 23.752 51.018 1.00 42.05 C ATOM 110 CB GLN 312 -13.293 24.401 50.435 1.00 42.05 C ATOM 111 CG GLN 312 -12.966 23.917 49.022 1.00 42.05 C ATOM 112 CD GLN 312 -11.698 24.618 48.559 1.00 42.05 C ATOM 113 OE1 GLN 312 -11.483 25.793 48.855 1.00 42.05 O ATOM 114 NE2 GLN 312 -10.838 23.881 47.805 1.00 42.05 N ATOM 115 C GLN 312 -14.675 24.180 52.450 1.00 42.05 C ATOM 116 O GLN 312 -15.413 25.103 52.793 1.00 42.05 O ATOM 117 N LYS 313 -13.919 23.484 53.326 1.00133.92 N ATOM 118 CA LYS 313 -13.878 23.732 54.741 1.00133.92 C ATOM 119 CB LYS 313 -12.948 22.757 55.487 1.00133.92 C ATOM 120 CG LYS 313 -13.510 21.352 55.723 1.00133.92 C ATOM 121 CD LYS 313 -14.610 21.263 56.789 1.00133.92 C ATOM 122 CE LYS 313 -14.073 20.957 58.194 1.00133.92 C ATOM 123 NZ LYS 313 -15.186 20.785 59.158 1.00133.92 N ATOM 124 C LYS 313 -13.319 25.095 54.993 1.00133.92 C ATOM 125 O LYS 313 -13.801 25.819 55.862 1.00133.92 O ATOM 126 N GLU 314 -12.284 25.488 54.228 1.00 76.14 N ATOM 127 CA GLU 314 -11.634 26.740 54.483 1.00 76.14 C ATOM 128 CB GLU 314 -10.514 27.030 53.468 1.00 76.14 C ATOM 129 CG GLU 314 -9.462 25.919 53.376 1.00 76.14 C ATOM 130 CD GLU 314 -8.987 25.566 54.778 1.00 76.14 C ATOM 131 OE1 GLU 314 -8.349 26.440 55.428 1.00 76.14 O ATOM 132 OE2 GLU 314 -9.264 24.421 55.221 1.00 76.14 O ATOM 133 C GLU 314 -12.645 27.827 54.320 1.00 76.14 C ATOM 134 O GLU 314 -12.743 28.730 55.150 1.00 76.14 O ATOM 135 N THR 315 -13.446 27.734 53.243 1.00 28.58 N ATOM 136 CA THR 315 -14.402 28.744 52.897 1.00 28.58 C ATOM 137 CB THR 315 -15.108 28.441 51.604 1.00 28.58 C ATOM 138 OG1 THR 315 -14.165 28.283 50.554 1.00 28.58 O ATOM 139 CG2 THR 315 -16.056 29.610 51.282 1.00 28.58 C ATOM 140 C THR 315 -15.437 28.846 53.972 1.00 28.58 C ATOM 141 O THR 315 -15.838 29.943 54.355 1.00 28.58 O ATOM 142 N LEU 316 -15.899 27.706 54.508 1.00 98.93 N ATOM 143 CA LEU 316 -16.932 27.783 55.495 1.00 98.93 C ATOM 144 CB LEU 316 -17.412 26.390 55.937 1.00 98.93 C ATOM 145 CG LEU 316 -18.526 26.414 56.998 1.00 98.93 C ATOM 146 CD1 LEU 316 -17.975 26.753 58.394 1.00 98.93 C ATOM 147 CD2 LEU 316 -19.664 27.355 56.582 1.00 98.93 C ATOM 148 C LEU 316 -16.414 28.548 56.675 1.00 98.93 C ATOM 149 O LEU 316 -17.097 29.434 57.189 1.00 98.93 O ATOM 150 N THR 317 -15.182 28.250 57.135 1.00 95.32 N ATOM 151 CA THR 317 -14.689 28.972 58.273 1.00 95.32 C ATOM 152 CB THR 317 -13.324 28.539 58.735 1.00 95.32 C ATOM 153 OG1 THR 317 -12.368 28.741 57.707 1.00 95.32 O ATOM 154 CG2 THR 317 -13.376 27.055 59.134 1.00 95.32 C ATOM 155 C THR 317 -14.608 30.419 57.904 1.00 95.32 C ATOM 156 O THR 317 -15.072 31.281 58.649 1.00 95.32 O ATOM 157 N ALA 318 -14.038 30.723 56.723 1.00 14.83 N ATOM 158 CA ALA 318 -13.908 32.087 56.304 1.00 14.83 C ATOM 159 CB ALA 318 -12.676 32.319 55.410 1.00 14.83 C ATOM 160 C ALA 318 -15.139 32.440 55.482 1.00 14.83 C ATOM 161 O ALA 318 -16.253 32.479 56.069 1.00 14.83 O ATOM 162 OXT ALA 318 -14.982 32.679 54.257 1.00 14.83 O