EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:20 REMARK 6 MODELLER OBJECTIVE FUNCTION: 106.1374 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1496.57739 REMARK 6 GA341 score: 0.94501 REMARK 6 Normalized DOPE score: -0.49825 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 50.0% ATOM 1 N GLU 284 -1.407 41.747 47.728 1.00 62.85 N ATOM 2 CA GLU 284 -2.883 41.699 47.684 1.00 62.85 C ATOM 3 CB GLU 284 -3.371 41.506 46.243 1.00 62.85 C ATOM 4 CG GLU 284 -3.118 42.727 45.365 1.00 62.85 C ATOM 5 CD GLU 284 -3.455 42.309 43.945 1.00 62.85 C ATOM 6 OE1 GLU 284 -2.804 41.352 43.450 1.00 62.85 O ATOM 7 OE2 GLU 284 -4.370 42.927 43.339 1.00 62.85 O ATOM 8 C GLU 284 -3.364 40.548 48.497 1.00 62.85 C ATOM 9 O GLU 284 -2.587 39.914 49.209 1.00 62.85 O ATOM 10 N LYS 285 -4.679 40.261 48.422 1.00138.11 N ATOM 11 CA LYS 285 -5.191 39.167 49.195 1.00138.11 C ATOM 12 CB LYS 285 -6.362 39.571 50.109 1.00138.11 C ATOM 13 CG LYS 285 -5.952 40.550 51.211 1.00138.11 C ATOM 14 CD LYS 285 -5.486 41.906 50.680 1.00138.11 C ATOM 15 CE LYS 285 -6.550 42.634 49.858 1.00138.11 C ATOM 16 NZ LYS 285 -7.597 43.165 50.759 1.00138.11 N ATOM 17 C LYS 285 -5.688 38.116 48.256 1.00138.11 C ATOM 18 O LYS 285 -6.754 38.233 47.656 1.00138.11 O ATOM 19 N PRO 286 -4.897 37.095 48.109 1.00112.12 N ATOM 20 CA PRO 286 -5.264 36.003 47.247 1.00112.12 C ATOM 21 CD PRO 286 -3.460 37.325 48.099 1.00112.12 C ATOM 22 CB PRO 286 -3.963 35.264 46.929 1.00112.12 C ATOM 23 CG PRO 286 -2.887 36.355 47.058 1.00112.12 C ATOM 24 C PRO 286 -6.349 35.102 47.754 1.00112.12 C ATOM 25 O PRO 286 -6.938 34.396 46.937 1.00112.12 O ATOM 26 N TYR 287 -6.649 35.086 49.065 1.00 59.23 N ATOM 27 CA TYR 287 -7.611 34.112 49.491 1.00 59.23 C ATOM 28 CB TYR 287 -7.102 33.239 50.651 1.00 59.23 C ATOM 29 CG TYR 287 -5.986 32.424 50.090 1.00 59.23 C ATOM 30 CD1 TYR 287 -6.260 31.284 49.374 1.00 59.23 C ATOM 31 CD2 TYR 287 -4.672 32.795 50.270 1.00 59.23 C ATOM 32 CE1 TYR 287 -5.244 30.524 48.847 1.00 59.23 C ATOM 33 CE2 TYR 287 -3.651 32.037 49.745 1.00 59.23 C ATOM 34 CZ TYR 287 -3.935 30.897 49.033 1.00 59.23 C ATOM 35 OH TYR 287 -2.888 30.117 48.493 1.00 59.23 O ATOM 36 C TYR 287 -8.882 34.791 49.897 1.00 59.23 C ATOM 37 O TYR 287 -8.908 35.605 50.816 1.00 59.23 O ATOM 38 N VAL 288 -9.985 34.455 49.196 1.00 90.55 N ATOM 39 CA VAL 288 -11.249 35.059 49.487 1.00 90.55 C ATOM 40 CB VAL 288 -11.944 35.606 48.280 1.00 90.55 C ATOM 41 CG1 VAL 288 -12.218 34.439 47.320 1.00 90.55 C ATOM 42 CG2 VAL 288 -13.216 36.338 48.741 1.00 90.55 C ATOM 43 C VAL 288 -12.151 34.024 50.069 1.00 90.55 C ATOM 44 O VAL 288 -12.104 32.849 49.699 1.00 90.55 O ATOM 45 N CYS 289 -12.979 34.449 51.042 1.00 45.63 N ATOM 46 CA CYS 289 -13.917 33.558 51.649 1.00 45.63 C ATOM 47 CB CYS 289 -14.387 34.029 53.036 1.00 45.63 C ATOM 48 SG CYS 289 -15.534 32.871 53.839 1.00 45.63 S ATOM 49 C CYS 289 -15.103 33.461 50.743 1.00 45.63 C ATOM 50 O CYS 289 -15.609 34.468 50.239 1.00 45.63 O ATOM 51 N SER 290 -15.583 32.230 50.502 1.00 77.35 N ATOM 52 CA SER 290 -16.691 32.069 49.608 1.00 77.35 C ATOM 53 CB SER 290 -17.004 30.605 49.251 1.00 77.35 C ATOM 54 OG SER 290 -18.118 30.557 48.369 1.00 77.35 O ATOM 55 C SER 290 -17.937 32.644 50.211 1.00 77.35 C ATOM 56 O SER 290 -18.789 33.166 49.492 1.00 77.35 O ATOM 57 N HIS 291 -18.109 32.519 51.543 1.00129.87 N ATOM 58 CA HIS 291 -19.345 32.963 52.130 1.00129.87 C ATOM 59 ND1 HIS 291 -18.311 30.402 54.311 1.00129.87 N ATOM 60 CG HIS 291 -19.434 31.076 53.882 1.00129.87 C ATOM 61 CB HIS 291 -19.474 32.560 53.616 1.00129.87 C ATOM 62 NE2 HIS 291 -19.930 28.886 54.133 1.00129.87 N ATOM 63 CD2 HIS 291 -20.414 30.135 53.780 1.00129.87 C ATOM 64 CE1 HIS 291 -18.663 29.097 54.443 1.00129.87 C ATOM 65 C HIS 291 -19.509 34.461 52.070 1.00129.87 C ATOM 66 O HIS 291 -20.428 34.971 51.429 1.00129.87 O ATOM 67 N CYS 292 -18.612 35.182 52.778 1.00 76.58 N ATOM 68 CA CYS 292 -18.593 36.613 52.978 1.00 76.58 C ATOM 69 CB CYS 292 -17.826 37.015 54.250 1.00 76.58 C ATOM 70 SG CYS 292 -16.071 36.552 54.191 1.00 76.58 S ATOM 71 C CYS 292 -18.033 37.403 51.828 1.00 76.58 C ATOM 72 O CYS 292 -18.408 38.564 51.677 1.00 76.58 O ATOM 73 N ASN 293 -17.120 36.806 51.027 1.00135.64 N ATOM 74 CA ASN 293 -16.355 37.360 49.926 1.00135.64 C ATOM 75 CB ASN 293 -17.152 38.046 48.773 1.00135.64 C ATOM 76 CG ASN 293 -17.810 39.373 49.157 1.00135.64 C ATOM 77 OD1 ASN 293 -19.034 39.486 49.156 1.00135.64 O ATOM 78 ND2 ASN 293 -16.994 40.405 49.504 1.00135.64 N ATOM 79 C ASN 293 -15.277 38.289 50.417 1.00135.64 C ATOM 80 O ASN 293 -14.709 39.058 49.642 1.00135.64 O ATOM 81 N LYS 294 -14.916 38.205 51.713 1.00 58.95 N ATOM 82 CA LYS 294 -13.849 39.005 52.251 1.00 58.95 C ATOM 83 CB LYS 294 -13.859 39.064 53.790 1.00 58.95 C ATOM 84 CG LYS 294 -12.815 40.015 54.375 1.00 58.95 C ATOM 85 CD LYS 294 -13.006 40.289 55.868 1.00 58.95 C ATOM 86 CE LYS 294 -11.886 41.123 56.491 1.00 58.95 C ATOM 87 NZ LYS 294 -12.004 41.099 57.966 1.00 58.95 N ATOM 88 C LYS 294 -12.557 38.369 51.825 1.00 58.95 C ATOM 89 O LYS 294 -12.466 37.143 51.736 1.00 58.95 O ATOM 90 N THR 295 -11.508 39.181 51.564 1.00116.29 N ATOM 91 CA THR 295 -10.277 38.613 51.082 1.00116.29 C ATOM 92 CB THR 295 -9.797 39.243 49.809 1.00116.29 C ATOM 93 OG1 THR 295 -8.765 38.454 49.244 1.00116.29 O ATOM 94 CG2 THR 295 -9.273 40.656 50.103 1.00116.29 C ATOM 95 C THR 295 -9.208 38.784 52.122 1.00116.29 C ATOM 96 O THR 295 -9.236 39.726 52.911 1.00116.29 O ATOM 97 N PHE 296 -8.222 37.856 52.144 1.00144.59 N ATOM 98 CA PHE 296 -7.202 37.880 53.159 1.00144.59 C ATOM 99 CB PHE 296 -7.337 36.715 54.146 1.00144.59 C ATOM 100 CG PHE 296 -8.646 36.857 54.841 1.00144.59 C ATOM 101 CD1 PHE 296 -9.791 36.358 54.267 1.00144.59 C ATOM 102 CD2 PHE 296 -8.732 37.501 56.053 1.00144.59 C ATOM 103 CE1 PHE 296 -11.003 36.483 54.898 1.00144.59 C ATOM 104 CE2 PHE 296 -9.942 37.629 56.691 1.00144.59 C ATOM 105 CZ PHE 296 -11.080 37.121 56.113 1.00144.59 C ATOM 106 C PHE 296 -5.861 37.701 52.525 1.00144.59 C ATOM 107 O PHE 296 -5.721 37.067 51.481 1.00144.59 O ATOM 108 N ARG 297 -4.830 38.288 53.164 1.00 68.59 N ATOM 109 CA ARG 297 -3.473 38.184 52.719 1.00 68.59 C ATOM 110 CB ARG 297 -2.527 39.144 53.462 1.00 68.59 C ATOM 111 CG ARG 297 -2.816 40.612 53.144 1.00 68.59 C ATOM 112 CD ARG 297 -1.807 41.598 53.736 1.00 68.59 C ATOM 113 NE ARG 297 -2.245 42.961 53.326 1.00 68.59 N ATOM 114 CZ ARG 297 -1.777 44.053 53.994 1.00 68.59 C ATOM 115 NH1 ARG 297 -0.917 43.891 55.041 1.00 68.59 N ATOM 116 NH2 ARG 297 -2.170 45.305 53.609 1.00 68.59 N ATOM 117 C ARG 297 -2.984 36.780 52.914 1.00 68.59 C ATOM 118 O ARG 297 -2.227 36.264 52.093 1.00 68.59 O ATOM 119 N TYR 298 -3.403 36.106 54.008 1.00 50.91 N ATOM 120 CA TYR 298 -2.842 34.802 54.235 1.00 50.91 C ATOM 121 CB TYR 298 -1.851 34.753 55.412 1.00 50.91 C ATOM 122 CG TYR 298 -0.758 35.718 55.096 1.00 50.91 C ATOM 123 CD1 TYR 298 0.252 35.381 54.223 1.00 50.91 C ATOM 124 CD2 TYR 298 -0.764 36.976 55.654 1.00 50.91 C ATOM 125 CE1 TYR 298 1.251 36.279 53.928 1.00 50.91 C ATOM 126 CE2 TYR 298 0.233 37.876 55.363 1.00 50.91 C ATOM 127 CZ TYR 298 1.244 37.528 54.500 1.00 50.91 C ATOM 128 OH TYR 298 2.272 38.447 54.194 1.00 50.91 O ATOM 129 C TYR 298 -3.919 33.789 54.486 1.00 50.91 C ATOM 130 O TYR 298 -5.015 34.102 54.946 1.00 50.91 O ATOM 131 N SER 299 -3.595 32.518 54.167 1.00 75.34 N ATOM 132 CA SER 299 -4.491 31.398 54.264 1.00 75.34 C ATOM 133 CB SER 299 -3.856 30.083 53.781 1.00 75.34 C ATOM 134 OG SER 299 -2.787 29.722 54.644 1.00 75.34 O ATOM 135 C SER 299 -4.895 31.164 55.687 1.00 75.34 C ATOM 136 O SER 299 -6.057 30.868 55.957 1.00 75.34 O ATOM 137 N GLY 300 -3.945 31.288 56.633 1.00 15.11 N ATOM 138 CA GLY 300 -4.228 30.997 58.011 1.00 15.11 C ATOM 139 C GLY 300 -5.285 31.927 58.510 1.00 15.11 C ATOM 140 O GLY 300 -6.162 31.530 59.278 1.00 15.11 O ATOM 141 N HIS 301 -5.206 33.205 58.103 1.00 35.43 N ATOM 142 CA HIS 301 -6.143 34.197 58.539 1.00 35.43 C ATOM 143 ND1 HIS 301 -3.284 35.689 57.756 1.00 35.43 N ATOM 144 CG HIS 301 -4.439 36.054 58.410 1.00 35.43 C ATOM 145 CB HIS 301 -5.806 35.599 57.998 1.00 35.43 C ATOM 146 NE2 HIS 301 -2.667 36.975 59.461 1.00 35.43 N ATOM 147 CD2 HIS 301 -4.044 36.842 59.448 1.00 35.43 C ATOM 148 CE1 HIS 301 -2.255 36.265 58.426 1.00 35.43 C ATOM 149 C HIS 301 -7.499 33.840 58.019 1.00 35.43 C ATOM 150 O HIS 301 -8.495 33.912 58.737 1.00 35.43 O ATOM 151 N LEU 302 -7.572 33.435 56.742 1.00 63.28 N ATOM 152 CA LEU 302 -8.836 33.126 56.146 1.00 63.28 C ATOM 153 CB LEU 302 -8.715 32.792 54.655 1.00 63.28 C ATOM 154 CG LEU 302 -10.075 32.458 54.018 1.00 63.28 C ATOM 155 CD1 LEU 302 -11.044 33.646 54.100 1.00 63.28 C ATOM 156 CD2 LEU 302 -9.917 31.949 52.585 1.00 63.28 C ATOM 157 C LEU 302 -9.448 31.942 56.827 1.00 63.28 C ATOM 158 O LEU 302 -10.649 31.919 57.093 1.00 63.28 O ATOM 159 N LYS 303 -8.630 30.926 57.145 1.00 56.44 N ATOM 160 CA LYS 303 -9.159 29.724 57.722 1.00 56.44 C ATOM 161 CB LYS 303 -8.089 28.659 57.983 1.00 56.44 C ATOM 162 CG LYS 303 -7.524 28.093 56.686 1.00 56.44 C ATOM 163 CD LYS 303 -6.232 27.306 56.880 1.00 56.44 C ATOM 164 CE LYS 303 -5.756 26.630 55.598 1.00 56.44 C ATOM 165 NZ LYS 303 -6.732 25.594 55.196 1.00 56.44 N ATOM 166 C LYS 303 -9.811 30.045 59.024 1.00 56.44 C ATOM 167 O LYS 303 -10.884 29.530 59.333 1.00 56.44 O ATOM 168 N ALA 304 -9.179 30.918 59.824 1.00 19.42 N ATOM 169 CA ALA 304 -9.752 31.265 61.088 1.00 19.42 C ATOM 170 CB ALA 304 -8.881 32.260 61.871 1.00 19.42 C ATOM 171 C ALA 304 -11.065 31.930 60.826 1.00 19.42 C ATOM 172 O ALA 304 -12.061 31.659 61.496 1.00 19.42 O ATOM 173 N HIS 305 -11.094 32.810 59.809 1.00 49.80 N ATOM 174 CA HIS 305 -12.268 33.565 59.496 1.00 49.80 C ATOM 175 ND1 HIS 305 -13.679 36.416 58.668 1.00 49.80 N ATOM 176 CG HIS 305 -13.255 35.320 57.952 1.00 49.80 C ATOM 177 CB HIS 305 -12.048 34.501 58.293 1.00 49.80 C ATOM 178 NE2 HIS 305 -15.124 36.145 57.000 1.00 49.80 N ATOM 179 CD2 HIS 305 -14.147 35.167 56.935 1.00 49.80 C ATOM 180 CE1 HIS 305 -14.803 36.870 58.055 1.00 49.80 C ATOM 181 C HIS 305 -13.386 32.641 59.140 1.00 49.80 C ATOM 182 O HIS 305 -14.496 32.776 59.650 1.00 49.80 O ATOM 183 N GLU 306 -13.125 31.662 58.253 1.00 44.00 N ATOM 184 CA GLU 306 -14.190 30.799 57.835 1.00 44.00 C ATOM 185 CB GLU 306 -13.789 29.858 56.686 1.00 44.00 C ATOM 186 CG GLU 306 -13.463 30.610 55.393 1.00 44.00 C ATOM 187 CD GLU 306 -13.156 29.609 54.285 1.00 44.00 C ATOM 188 OE1 GLU 306 -14.087 28.854 53.893 1.00 44.00 O ATOM 189 OE2 GLU 306 -11.989 29.589 53.812 1.00 44.00 O ATOM 190 C GLU 306 -14.661 29.973 58.988 1.00 44.00 C ATOM 191 O GLU 306 -15.861 29.851 59.224 1.00 44.00 O ATOM 192 N ARG 307 -13.727 29.400 59.767 1.00 73.48 N ATOM 193 CA ARG 307 -14.133 28.573 60.866 1.00 73.48 C ATOM 194 CB ARG 307 -14.994 29.325 61.891 1.00 73.48 C ATOM 195 CG ARG 307 -14.204 30.387 62.652 1.00 73.48 C ATOM 196 CD ARG 307 -15.069 31.241 63.578 1.00 73.48 C ATOM 197 NE ARG 307 -14.153 32.035 64.448 1.00 73.48 N ATOM 198 CZ ARG 307 -14.083 33.394 64.335 1.00 73.48 C ATOM 199 NH1 ARG 307 -14.836 34.045 63.401 1.00 73.48 N ATOM 200 NH2 ARG 307 -13.254 34.110 65.150 1.00 73.48 N ATOM 201 C ARG 307 -14.939 27.384 60.348 1.00 73.48 C ATOM 202 O ARG 307 -15.330 26.543 61.199 1.00 73.48 O ATOM 203 OXT ARG 307 -15.170 27.287 59.111 1.00 73.48 O