EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.9470 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1481.16565 REMARK 6 GA341 score: 0.97406 REMARK 6 Normalized DOPE score: -1.05961 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 294 -8.126 31.916 44.618 1.00 61.71 N ATOM 2 CA GLU 294 -7.977 32.299 46.041 1.00 61.71 C ATOM 3 CB GLU 294 -9.316 32.815 46.588 1.00 61.71 C ATOM 4 CG GLU 294 -10.406 31.744 46.637 1.00 61.71 C ATOM 5 CD GLU 294 -11.745 32.446 46.795 1.00 61.71 C ATOM 6 OE1 GLU 294 -12.345 32.779 45.738 1.00 61.71 O ATOM 7 OE2 GLU 294 -12.187 32.661 47.956 1.00 61.71 O ATOM 8 C GLU 294 -7.538 31.119 46.845 1.00 61.71 C ATOM 9 O GLU 294 -7.045 30.135 46.293 1.00 61.71 O ATOM 10 N LYS 295 -7.672 31.197 48.185 1.00 76.33 N ATOM 11 CA LYS 295 -7.280 30.083 49.004 1.00 76.33 C ATOM 12 CB LYS 295 -6.317 30.461 50.154 1.00 76.33 C ATOM 13 CG LYS 295 -4.923 30.894 49.689 1.00 76.33 C ATOM 14 CD LYS 295 -4.042 31.466 50.807 1.00 76.33 C ATOM 15 CE LYS 295 -4.114 32.987 50.964 1.00 76.33 C ATOM 16 NZ LYS 295 -3.082 33.440 51.926 1.00 76.33 N ATOM 17 C LYS 295 -8.521 29.539 49.641 1.00 76.33 C ATOM 18 O LYS 295 -8.946 29.982 50.706 1.00 76.33 O ATOM 19 N PRO 296 -9.097 28.569 48.994 1.00104.66 N ATOM 20 CA PRO 296 -10.314 27.959 49.463 1.00104.66 C ATOM 21 CD PRO 296 -8.983 28.507 47.547 1.00104.66 C ATOM 22 CB PRO 296 -10.852 27.157 48.278 1.00104.66 C ATOM 23 CG PRO 296 -10.296 27.890 47.048 1.00104.66 C ATOM 24 C PRO 296 -10.205 27.125 50.702 1.00104.66 C ATOM 25 O PRO 296 -11.228 26.911 51.351 1.00104.66 O ATOM 26 N TYR 297 -9.006 26.636 51.066 1.00 69.36 N ATOM 27 CA TYR 297 -8.977 25.713 52.165 1.00 69.36 C ATOM 28 CB TYR 297 -8.174 24.442 51.841 1.00 69.36 C ATOM 29 CG TYR 297 -8.799 23.816 50.635 1.00 69.36 C ATOM 30 CD1 TYR 297 -9.838 22.921 50.750 1.00 69.36 C ATOM 31 CD2 TYR 297 -8.344 24.139 49.376 1.00 69.36 C ATOM 32 CE1 TYR 297 -10.409 22.350 49.636 1.00 69.36 C ATOM 33 CE2 TYR 297 -8.909 23.571 48.256 1.00 69.36 C ATOM 34 CZ TYR 297 -9.944 22.674 48.385 1.00 69.36 C ATOM 35 OH TYR 297 -10.531 22.085 47.244 1.00 69.36 O ATOM 36 C TYR 297 -8.343 26.380 53.347 1.00 69.36 C ATOM 37 O TYR 297 -7.230 26.896 53.265 1.00 69.36 O ATOM 38 N ARG 298 -9.061 26.355 54.492 1.00132.38 N ATOM 39 CA ARG 298 -8.643 27.027 55.693 1.00132.38 C ATOM 40 CB ARG 298 -9.760 27.892 56.303 1.00132.38 C ATOM 41 CG ARG 298 -9.271 28.874 57.368 1.00132.38 C ATOM 42 CD ARG 298 -10.364 29.388 58.309 1.00132.38 C ATOM 43 NE ARG 298 -11.539 29.798 57.487 1.00132.38 N ATOM 44 CZ ARG 298 -12.647 28.999 57.444 1.00132.38 C ATOM 45 NH1 ARG 298 -12.670 27.825 58.137 1.00132.38 N ATOM 46 NH2 ARG 298 -13.737 29.373 56.713 1.00132.38 N ATOM 47 C ARG 298 -8.308 26.010 56.741 1.00132.38 C ATOM 48 O ARG 298 -9.018 25.021 56.923 1.00132.38 O ATOM 49 N CYS 299 -7.192 26.237 57.461 1.00 40.49 N ATOM 50 CA CYS 299 -6.773 25.366 58.523 1.00 40.49 C ATOM 51 CB CYS 299 -5.259 25.441 58.784 1.00 40.49 C ATOM 52 SG CYS 299 -4.697 24.348 60.124 1.00 40.49 S ATOM 53 C CYS 299 -7.479 25.780 59.779 1.00 40.49 C ATOM 54 O CYS 299 -7.493 26.954 60.146 1.00 40.49 O ATOM 55 N THR 300 -8.072 24.809 60.496 1.00105.77 N ATOM 56 CA THR 300 -8.812 25.145 61.677 1.00105.77 C ATOM 57 CB THR 300 -9.528 23.972 62.290 1.00105.77 C ATOM 58 OG1 THR 300 -10.360 24.409 63.354 1.00105.77 O ATOM 59 CG2 THR 300 -8.493 22.962 62.810 1.00105.77 C ATOM 60 C THR 300 -7.905 25.718 62.723 1.00105.77 C ATOM 61 O THR 300 -8.280 26.663 63.416 1.00105.77 O ATOM 62 N GLU 301 -6.698 25.144 62.899 1.00 95.61 N ATOM 63 CA GLU 301 -5.871 25.601 63.981 1.00 95.61 C ATOM 64 CB GLU 301 -4.630 24.711 64.171 1.00 95.61 C ATOM 65 CG GLU 301 -4.949 23.314 64.711 1.00 95.61 C ATOM 66 CD GLU 301 -3.676 22.477 64.665 1.00 95.61 C ATOM 67 OE1 GLU 301 -3.261 22.095 63.538 1.00 95.61 O ATOM 68 OE2 GLU 301 -3.102 22.207 65.754 1.00 95.61 O ATOM 69 C GLU 301 -5.372 27.011 63.805 1.00 95.61 C ATOM 70 O GLU 301 -5.721 27.894 64.585 1.00 95.61 O ATOM 71 N CYS 302 -4.521 27.236 62.775 1.00 61.55 N ATOM 72 CA CYS 302 -3.900 28.514 62.516 1.00 61.55 C ATOM 73 CB CYS 302 -2.615 28.402 61.669 1.00 61.55 C ATOM 74 SG CYS 302 -2.892 27.622 60.054 1.00 61.55 S ATOM 75 C CYS 302 -4.831 29.486 61.855 1.00 61.55 C ATOM 76 O CYS 302 -4.814 30.679 62.153 1.00 61.55 O ATOM 77 N GLY 303 -5.675 29.001 60.927 1.00 26.04 N ATOM 78 CA GLY 303 -6.548 29.894 60.222 1.00 26.04 C ATOM 79 C GLY 303 -5.896 30.261 58.926 1.00 26.04 C ATOM 80 O GLY 303 -6.398 31.107 58.188 1.00 26.04 O ATOM 81 N LYS 304 -4.745 29.633 58.616 1.00 59.33 N ATOM 82 CA LYS 304 -4.048 29.912 57.395 1.00 59.33 C ATOM 83 CB LYS 304 -2.606 29.378 57.401 1.00 59.33 C ATOM 84 CG LYS 304 -1.727 29.931 56.281 1.00 59.33 C ATOM 85 CD LYS 304 -0.239 29.682 56.525 1.00 59.33 C ATOM 86 CE LYS 304 0.662 30.345 55.486 1.00 59.33 C ATOM 87 NZ LYS 304 2.079 30.150 55.854 1.00 59.33 N ATOM 88 C LYS 304 -4.792 29.255 56.273 1.00 59.33 C ATOM 89 O LYS 304 -5.334 28.160 56.428 1.00 59.33 O ATOM 90 N SER 305 -4.827 29.923 55.099 1.00 54.22 N ATOM 91 CA SER 305 -5.554 29.390 53.981 1.00 54.22 C ATOM 92 CB SER 305 -6.527 30.405 53.352 1.00 54.22 C ATOM 93 OG SER 305 -7.518 30.776 54.298 1.00 54.22 O ATOM 94 C SER 305 -4.578 28.968 52.919 1.00 54.22 C ATOM 95 O SER 305 -3.492 29.532 52.793 1.00 54.22 O ATOM 96 N PHE 306 -4.957 27.936 52.127 1.00154.64 N ATOM 97 CA PHE 306 -4.088 27.406 51.110 1.00154.64 C ATOM 98 CB PHE 306 -3.560 26.001 51.436 1.00154.64 C ATOM 99 CG PHE 306 -2.611 26.146 52.573 1.00154.64 C ATOM 100 CD1 PHE 306 -3.066 26.129 53.871 1.00154.64 C ATOM 101 CD2 PHE 306 -1.265 26.319 52.346 1.00154.64 C ATOM 102 CE1 PHE 306 -2.194 26.266 54.924 1.00154.64 C ATOM 103 CE2 PHE 306 -0.390 26.455 53.397 1.00154.64 C ATOM 104 CZ PHE 306 -0.849 26.426 54.691 1.00154.64 C ATOM 105 C PHE 306 -4.830 27.294 49.817 1.00154.64 C ATOM 106 O PHE 306 -6.050 27.164 49.773 1.00154.64 O ATOM 107 N PRO 307 -4.072 27.415 48.758 1.00147.70 N ATOM 108 CA PRO 307 -4.612 27.283 47.431 1.00147.70 C ATOM 109 CD PRO 307 -2.929 28.310 48.791 1.00147.70 C ATOM 110 CB PRO 307 -3.575 27.887 46.488 1.00147.70 C ATOM 111 CG PRO 307 -2.819 28.893 47.373 1.00147.70 C ATOM 112 C PRO 307 -4.953 25.864 47.098 1.00147.70 C ATOM 113 O PRO 307 -5.760 25.658 46.195 1.00147.70 O ATOM 114 N TYR 308 -4.348 24.868 47.782 1.00 90.44 N ATOM 115 CA TYR 308 -4.606 23.497 47.430 1.00 90.44 C ATOM 116 CB TYR 308 -3.396 22.811 46.769 1.00 90.44 C ATOM 117 CG TYR 308 -3.217 23.418 45.416 1.00 90.44 C ATOM 118 CD1 TYR 308 -2.725 24.695 45.271 1.00 90.44 C ATOM 119 CD2 TYR 308 -3.527 22.698 44.285 1.00 90.44 C ATOM 120 CE1 TYR 308 -2.555 25.251 44.025 1.00 90.44 C ATOM 121 CE2 TYR 308 -3.361 23.246 43.035 1.00 90.44 C ATOM 122 CZ TYR 308 -2.877 24.526 42.904 1.00 90.44 C ATOM 123 OH TYR 308 -2.700 25.102 41.628 1.00 90.44 O ATOM 124 C TYR 308 -4.944 22.706 48.659 1.00 90.44 C ATOM 125 O TYR 308 -4.365 22.899 49.726 1.00 90.44 O ATOM 126 N LYS 309 -5.907 21.772 48.516 1.00 61.02 N ATOM 127 CA LYS 309 -6.355 20.949 49.603 1.00 61.02 C ATOM 128 CB LYS 309 -7.527 20.033 49.217 1.00 61.02 C ATOM 129 CG LYS 309 -8.179 19.327 50.410 1.00 61.02 C ATOM 130 CD LYS 309 -9.519 18.672 50.064 1.00 61.02 C ATOM 131 CE LYS 309 -10.123 17.848 51.203 1.00 61.02 C ATOM 132 NZ LYS 309 -10.852 18.732 52.140 1.00 61.02 N ATOM 133 C LYS 309 -5.230 20.071 50.047 1.00 61.02 C ATOM 134 O LYS 309 -5.045 19.839 51.240 1.00 61.02 O ATOM 135 N SER 310 -4.440 19.562 49.085 1.00 62.91 N ATOM 136 CA SER 310 -3.382 18.649 49.407 1.00 62.91 C ATOM 137 CB SER 310 -2.601 18.217 48.154 1.00 62.91 C ATOM 138 OG SER 310 -1.568 17.307 48.500 1.00 62.91 O ATOM 139 C SER 310 -2.424 19.345 50.322 1.00 62.91 C ATOM 140 O SER 310 -1.969 18.770 51.310 1.00 62.91 O ATOM 141 N THR 311 -2.106 20.617 50.018 1.00 29.03 N ATOM 142 CA THR 311 -1.153 21.355 50.797 1.00 29.03 C ATOM 143 CB THR 311 -0.820 22.695 50.215 1.00 29.03 C ATOM 144 OG1 THR 311 -0.291 22.540 48.906 1.00 29.03 O ATOM 145 CG2 THR 311 0.223 23.364 51.127 1.00 29.03 C ATOM 146 C THR 311 -1.682 21.574 52.180 1.00 29.03 C ATOM 147 O THR 311 -0.934 21.503 53.155 1.00 29.03 O ATOM 148 N LEU 312 -2.993 21.850 52.309 1.00105.75 N ATOM 149 CA LEU 312 -3.550 22.103 53.608 1.00105.75 C ATOM 150 CB LEU 312 -5.051 22.460 53.538 1.00105.75 C ATOM 151 CG LEU 312 -5.745 22.754 54.887 1.00105.75 C ATOM 152 CD1 LEU 312 -5.960 21.475 55.705 1.00105.75 C ATOM 153 CD2 LEU 312 -5.011 23.848 55.679 1.00105.75 C ATOM 154 C LEU 312 -3.366 20.872 54.446 1.00105.75 C ATOM 155 O LEU 312 -2.991 20.957 55.615 1.00105.75 O ATOM 156 N ASN 313 -3.601 19.682 53.864 1.00 32.78 N ATOM 157 CA ASN 313 -3.482 18.465 54.619 1.00 32.78 C ATOM 158 CB ASN 313 -3.899 17.220 53.821 1.00 32.78 C ATOM 159 CG ASN 313 -5.415 17.275 53.686 1.00 32.78 C ATOM 160 OD1 ASN 313 -6.074 18.114 54.299 1.00 32.78 O ATOM 161 ND2 ASN 313 -5.987 16.351 52.870 1.00 32.78 N ATOM 162 C ASN 313 -2.067 18.306 55.079 1.00 32.78 C ATOM 163 O ASN 313 -1.817 17.863 56.198 1.00 32.78 O ATOM 164 N HIS 314 -1.104 18.684 54.219 1.00 60.19 N ATOM 165 CA HIS 314 0.288 18.603 54.551 1.00 60.19 C ATOM 166 ND1 HIS 314 3.487 18.226 52.939 1.00 60.19 N ATOM 167 CG HIS 314 2.645 19.050 53.652 1.00 60.19 C ATOM 168 CB HIS 314 1.169 19.152 53.409 1.00 60.19 C ATOM 169 NE2 HIS 314 4.748 19.288 54.430 1.00 60.19 N ATOM 170 CD2 HIS 314 3.431 19.692 54.558 1.00 60.19 C ATOM 171 CE1 HIS 314 4.732 18.408 53.446 1.00 60.19 C ATOM 172 C HIS 314 0.487 19.491 55.737 1.00 60.19 C ATOM 173 O HIS 314 1.187 19.142 56.686 1.00 60.19 O ATOM 174 N HIS 315 -0.165 20.667 55.708 1.00 47.92 N ATOM 175 CA HIS 315 -0.040 21.662 56.729 1.00 47.92 C ATOM 176 ND1 HIS 315 0.371 24.757 57.658 1.00 47.92 N ATOM 177 CG HIS 315 -0.743 23.972 57.468 1.00 47.92 C ATOM 178 CB HIS 315 -0.861 22.921 56.410 1.00 47.92 C ATOM 179 NE2 HIS 315 -1.116 25.378 59.191 1.00 47.92 N ATOM 180 CD2 HIS 315 -1.641 24.364 58.411 1.00 47.92 C ATOM 181 CE1 HIS 315 0.094 25.579 58.701 1.00 47.92 C ATOM 182 C HIS 315 -0.528 21.126 58.034 1.00 47.92 C ATOM 183 O HIS 315 0.108 21.345 59.066 1.00 47.92 O ATOM 184 N MET 316 -1.661 20.396 58.039 1.00 23.99 N ATOM 185 CA MET 316 -2.179 19.898 59.284 1.00 23.99 C ATOM 186 CB MET 316 -3.397 18.961 59.143 1.00 23.99 C ATOM 187 CG MET 316 -4.673 19.623 58.623 1.00 23.99 C ATOM 188 SD MET 316 -6.087 18.482 58.518 1.00 23.99 S ATOM 189 CE MET 316 -5.327 17.451 57.232 1.00 23.99 C ATOM 190 C MET 316 -1.105 19.080 60.005 1.00 23.99 C ATOM 191 O MET 316 -1.368 18.687 61.175 1.00 23.99 O ATOM 192 OXT MET 316 -0.023 18.826 59.415 1.00 23.99 O