EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:58 REMARK 6 MODELLER OBJECTIVE FUNCTION: 124.9996 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1462.40112 REMARK 6 GA341 score: 0.96061 REMARK 6 Normalized DOPE score: -1.42974 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 165 -13.573 19.795 41.160 1.00 64.90 N ATOM 2 CA GLU 165 -13.639 21.268 41.263 1.00 64.90 C ATOM 3 CB GLU 165 -15.106 21.730 41.350 1.00 64.90 C ATOM 4 CG GLU 165 -15.269 23.253 41.355 1.00 64.90 C ATOM 5 CD GLU 165 -14.935 23.751 39.957 1.00 64.90 C ATOM 6 OE1 GLU 165 -15.377 23.096 38.977 1.00 64.90 O ATOM 7 OE2 GLU 165 -14.225 24.787 39.850 1.00 64.90 O ATOM 8 C GLU 165 -12.927 21.711 42.494 1.00 64.90 C ATOM 9 O GLU 165 -11.699 21.688 42.559 1.00 64.90 O ATOM 10 N LYS 166 -13.704 22.141 43.504 1.00144.23 N ATOM 11 CA LYS 166 -13.148 22.586 44.741 1.00144.23 C ATOM 12 CB LYS 166 -13.202 24.119 44.819 1.00144.23 C ATOM 13 CG LYS 166 -14.479 24.669 44.176 1.00144.23 C ATOM 14 CD LYS 166 -14.607 26.194 44.213 1.00144.23 C ATOM 15 CE LYS 166 -13.982 26.887 43.001 1.00144.23 C ATOM 16 NZ LYS 166 -14.820 26.655 41.801 1.00144.23 N ATOM 17 C LYS 166 -13.959 21.957 45.836 1.00144.23 C ATOM 18 O LYS 166 -15.053 22.402 46.183 1.00144.23 O ATOM 19 N PRO 167 -13.426 20.876 46.333 1.00116.44 N ATOM 20 CA PRO 167 -14.077 20.135 47.384 1.00116.44 C ATOM 21 CD PRO 167 -12.692 19.995 45.434 1.00116.44 C ATOM 22 CB PRO 167 -13.483 18.728 47.335 1.00116.44 C ATOM 23 CG PRO 167 -13.031 18.565 45.876 1.00116.44 C ATOM 24 C PRO 167 -14.075 20.709 48.774 1.00116.44 C ATOM 25 O PRO 167 -14.924 20.298 49.564 1.00116.44 O ATOM 26 N PHE 168 -13.154 21.625 49.132 1.00 58.40 N ATOM 27 CA PHE 168 -13.144 22.035 50.512 1.00 58.40 C ATOM 28 CB PHE 168 -11.733 22.129 51.114 1.00 58.40 C ATOM 29 CG PHE 168 -11.161 20.756 51.026 1.00 58.40 C ATOM 30 CD1 PHE 168 -11.437 19.810 51.987 1.00 58.40 C ATOM 31 CD2 PHE 168 -10.349 20.426 49.967 1.00 58.40 C ATOM 32 CE1 PHE 168 -10.904 18.547 51.889 1.00 58.40 C ATOM 33 CE2 PHE 168 -9.814 19.167 49.865 1.00 58.40 C ATOM 34 CZ PHE 168 -10.091 18.227 50.829 1.00 58.40 C ATOM 35 C PHE 168 -13.773 23.383 50.613 1.00 58.40 C ATOM 36 O PHE 168 -13.381 24.314 49.913 1.00 58.40 O ATOM 37 N SER 169 -14.768 23.519 51.513 1.00 70.10 N ATOM 38 CA SER 169 -15.455 24.769 51.623 1.00 70.10 C ATOM 39 CB SER 169 -16.978 24.635 51.451 1.00 70.10 C ATOM 40 OG SER 169 -17.599 25.907 51.570 1.00 70.10 O ATOM 41 C SER 169 -15.218 25.347 52.983 1.00 70.10 C ATOM 42 O SER 169 -15.156 24.632 53.982 1.00 70.10 O ATOM 43 N CYS 170 -15.062 26.686 53.033 1.00 42.94 N ATOM 44 CA CYS 170 -14.863 27.372 54.278 1.00 42.94 C ATOM 45 CB CYS 170 -14.254 28.775 54.100 1.00 42.94 C ATOM 46 SG CYS 170 -13.977 29.648 55.671 1.00 42.94 S ATOM 47 C CYS 170 -16.210 27.537 54.919 1.00 42.94 C ATOM 48 O CYS 170 -17.177 27.945 54.278 1.00 42.94 O ATOM 49 N THR 171 -16.297 27.234 56.227 1.00 39.11 N ATOM 50 CA THR 171 -17.553 27.310 56.913 1.00 39.11 C ATOM 51 CB THR 171 -17.453 26.866 58.345 1.00 39.11 C ATOM 52 OG1 THR 171 -16.991 25.525 58.416 1.00 39.11 O ATOM 53 CG2 THR 171 -18.842 26.982 58.993 1.00 39.11 C ATOM 54 C THR 171 -18.048 28.721 56.927 1.00 39.11 C ATOM 55 O THR 171 -19.222 28.976 56.658 1.00 39.11 O ATOM 56 N GLN 172 -17.177 29.686 57.285 1.00 69.58 N ATOM 57 CA GLN 172 -17.668 31.028 57.415 1.00 69.58 C ATOM 58 CB GLN 172 -16.710 31.941 58.200 1.00 69.58 C ATOM 59 CG GLN 172 -17.264 33.349 58.430 1.00 69.58 C ATOM 60 CD GLN 172 -16.272 34.120 59.285 1.00 69.58 C ATOM 61 OE1 GLN 172 -15.327 33.553 59.833 1.00 69.58 O ATOM 62 NE2 GLN 172 -16.504 35.454 59.409 1.00 69.58 N ATOM 63 C GLN 172 -17.978 31.710 56.111 1.00 69.58 C ATOM 64 O GLN 172 -19.087 32.211 55.930 1.00 69.58 O ATOM 65 N CYS 173 -16.991 31.765 55.185 1.00110.62 N ATOM 66 CA CYS 173 -17.092 32.477 53.932 1.00110.62 C ATOM 67 CB CYS 173 -15.740 32.579 53.207 1.00110.62 C ATOM 68 SG CYS 173 -14.418 33.306 54.206 1.00110.62 S ATOM 69 C CYS 173 -17.962 31.765 52.949 1.00110.62 C ATOM 70 O CYS 173 -18.809 32.363 52.287 1.00110.62 O ATOM 71 N GLY 174 -17.753 30.444 52.827 1.00 33.36 N ATOM 72 CA GLY 174 -18.443 29.694 51.825 1.00 33.36 C ATOM 73 C GLY 174 -17.541 29.573 50.624 1.00 33.36 C ATOM 74 O GLY 174 -17.913 28.934 49.640 1.00 33.36 O ATOM 75 N LYS 175 -16.330 30.185 50.652 1.00134.43 N ATOM 76 CA LYS 175 -15.446 30.044 49.513 1.00134.43 C ATOM 77 CB LYS 175 -14.188 30.941 49.476 1.00134.43 C ATOM 78 CG LYS 175 -14.378 32.330 48.867 1.00134.43 C ATOM 79 CD LYS 175 -13.094 33.166 48.857 1.00134.43 C ATOM 80 CE LYS 175 -12.202 32.854 47.653 1.00134.43 C ATOM 81 NZ LYS 175 -11.122 33.854 47.540 1.00134.43 N ATOM 82 C LYS 175 -14.916 28.649 49.490 1.00134.43 C ATOM 83 O LYS 175 -14.657 28.052 50.533 1.00134.43 O ATOM 84 N SER 176 -14.709 28.091 48.281 1.00103.82 N ATOM 85 CA SER 176 -14.249 26.735 48.240 1.00103.82 C ATOM 86 CB SER 176 -15.200 25.791 47.491 1.00103.82 C ATOM 87 OG SER 176 -14.799 24.451 47.718 1.00103.82 O ATOM 88 C SER 176 -12.896 26.686 47.597 1.00103.82 C ATOM 89 O SER 176 -12.546 27.560 46.811 1.00103.82 O ATOM 90 N PHE 177 -12.077 25.664 47.944 1.00162.91 N ATOM 91 CA PHE 177 -10.744 25.546 47.403 1.00162.91 C ATOM 92 CB PHE 177 -9.631 25.924 48.393 1.00162.91 C ATOM 93 CG PHE 177 -9.761 27.383 48.637 1.00162.91 C ATOM 94 CD1 PHE 177 -10.712 27.824 49.523 1.00162.91 C ATOM 95 CD2 PHE 177 -8.976 28.302 47.970 1.00162.91 C ATOM 96 CE1 PHE 177 -10.869 29.163 49.765 1.00162.91 C ATOM 97 CE2 PHE 177 -9.123 29.652 48.212 1.00162.91 C ATOM 98 CZ PHE 177 -10.075 30.083 49.117 1.00162.91 C ATOM 99 C PHE 177 -10.484 24.134 46.996 1.00162.91 C ATOM 100 O PHE 177 -11.115 23.193 47.473 1.00162.91 O ATOM 101 N SER 178 -9.548 23.966 46.042 1.00 84.13 N ATOM 102 CA SER 178 -9.192 22.669 45.563 1.00 84.13 C ATOM 103 CB SER 178 -8.465 22.696 44.212 1.00 84.13 C ATOM 104 OG SER 178 -8.180 21.361 43.818 1.00 84.13 O ATOM 105 C SER 178 -8.295 21.987 46.550 1.00 84.13 C ATOM 106 O SER 178 -8.250 20.758 46.601 1.00 84.13 O ATOM 107 N ARG 179 -7.560 22.764 47.376 1.00 91.83 N ATOM 108 CA ARG 179 -6.601 22.147 48.253 1.00 91.83 C ATOM 109 CB ARG 179 -5.192 22.756 48.146 1.00 91.83 C ATOM 110 CG ARG 179 -4.572 22.724 46.750 1.00 91.83 C ATOM 111 CD ARG 179 -3.180 23.363 46.695 1.00 91.83 C ATOM 112 NE ARG 179 -2.205 22.342 47.175 1.00 91.83 N ATOM 113 CZ ARG 179 -1.043 22.709 47.790 1.00 91.83 C ATOM 114 NH1 ARG 179 -0.760 24.029 47.996 1.00 91.83 N ATOM 115 NH2 ARG 179 -0.157 21.753 48.196 1.00 91.83 N ATOM 116 C ARG 179 -6.990 22.351 49.686 1.00 91.83 C ATOM 117 O ARG 179 -7.433 23.426 50.085 1.00 91.83 O ATOM 118 N SER 180 -6.806 21.305 50.519 1.00 68.66 N ATOM 119 CA SER 180 -7.113 21.394 51.919 1.00 68.66 C ATOM 120 CB SER 180 -6.956 20.045 52.650 1.00 68.66 C ATOM 121 OG SER 180 -5.605 19.606 52.608 1.00 68.66 O ATOM 122 C SER 180 -6.179 22.371 52.570 1.00 68.66 C ATOM 123 O SER 180 -6.579 23.155 53.428 1.00 68.66 O ATOM 124 N SER 181 -4.899 22.365 52.154 1.00 65.19 N ATOM 125 CA SER 181 -3.906 23.198 52.768 1.00 65.19 C ATOM 126 CB SER 181 -2.499 22.985 52.177 1.00 65.19 C ATOM 127 OG SER 181 -2.071 21.647 52.397 1.00 65.19 O ATOM 128 C SER 181 -4.264 24.633 52.547 1.00 65.19 C ATOM 129 O SER 181 -4.111 25.457 53.446 1.00 65.19 O ATOM 130 N THR 182 -4.748 24.970 51.337 1.00 96.11 N ATOM 131 CA THR 182 -5.081 26.331 51.029 1.00 96.11 C ATOM 132 CB THR 182 -5.498 26.532 49.602 1.00 96.11 C ATOM 133 OG1 THR 182 -6.657 25.763 49.317 1.00 96.11 O ATOM 134 CG2 THR 182 -4.333 26.126 48.682 1.00 96.11 C ATOM 135 C THR 182 -6.221 26.767 51.890 1.00 96.11 C ATOM 136 O THR 182 -6.234 27.889 52.390 1.00 96.11 O ATOM 137 N LEU 183 -7.215 25.883 52.091 1.00107.73 N ATOM 138 CA LEU 183 -8.370 26.235 52.858 1.00107.73 C ATOM 139 CB LEU 183 -9.405 25.091 52.889 1.00107.73 C ATOM 140 CG LEU 183 -10.761 25.475 53.510 1.00107.73 C ATOM 141 CD1 LEU 183 -10.659 25.795 55.010 1.00107.73 C ATOM 142 CD2 LEU 183 -11.420 26.602 52.706 1.00107.73 C ATOM 143 C LEU 183 -7.917 26.536 54.262 1.00107.73 C ATOM 144 O LEU 183 -8.369 27.499 54.880 1.00107.73 O ATOM 145 N ASN 184 -6.981 25.726 54.792 1.00 46.80 N ATOM 146 CA ASN 184 -6.539 25.891 56.150 1.00 46.80 C ATOM 147 CB ASN 184 -5.491 24.849 56.578 1.00 46.80 C ATOM 148 CG ASN 184 -6.204 23.520 56.772 1.00 46.80 C ATOM 149 OD1 ASN 184 -6.219 22.666 55.889 1.00 46.80 O ATOM 150 ND2 ASN 184 -6.809 23.328 57.974 1.00 46.80 N ATOM 151 C ASN 184 -5.930 27.248 56.326 1.00 46.80 C ATOM 152 O ASN 184 -6.189 27.912 57.328 1.00 46.80 O ATOM 153 N GLU 185 -5.106 27.699 55.362 1.00 98.54 N ATOM 154 CA GLU 185 -4.492 28.992 55.490 1.00 98.54 C ATOM 155 CB GLU 185 -3.517 29.309 54.343 1.00 98.54 C ATOM 156 CG GLU 185 -2.848 30.681 54.457 1.00 98.54 C ATOM 157 CD GLU 185 -1.750 30.578 55.506 1.00 98.54 C ATOM 158 OE1 GLU 185 -1.016 29.555 55.496 1.00 98.54 O ATOM 159 OE2 GLU 185 -1.639 31.522 56.331 1.00 98.54 O ATOM 160 C GLU 185 -5.579 30.017 55.449 1.00 98.54 C ATOM 161 O GLU 185 -5.560 31.008 56.179 1.00 98.54 O ATOM 162 N HIS 186 -6.579 29.765 54.586 1.00 59.26 N ATOM 163 CA HIS 186 -7.676 30.648 54.349 1.00 59.26 C ATOM 164 ND1 HIS 186 -9.710 31.917 52.027 1.00 59.26 N ATOM 165 CG HIS 186 -9.799 30.866 52.911 1.00 59.26 C ATOM 166 CB HIS 186 -8.638 30.016 53.321 1.00 59.26 C ATOM 167 NE2 HIS 186 -11.849 31.759 52.612 1.00 59.26 N ATOM 168 CD2 HIS 186 -11.112 30.784 53.259 1.00 59.26 C ATOM 169 CE1 HIS 186 -10.964 32.415 51.884 1.00 59.26 C ATOM 170 C HIS 186 -8.416 30.866 55.632 1.00 59.26 C ATOM 171 O HIS 186 -8.731 32.001 55.987 1.00 59.26 O ATOM 172 N MET 187 -8.683 29.781 56.382 1.00 97.09 N ATOM 173 CA MET 187 -9.452 29.904 57.586 1.00 97.09 C ATOM 174 CB MET 187 -9.695 28.554 58.280 1.00 97.09 C ATOM 175 CG MET 187 -10.623 28.660 59.491 1.00 97.09 C ATOM 176 SD MET 187 -10.969 27.079 60.314 1.00 97.09 S ATOM 177 CE MET 187 -12.048 27.810 61.579 1.00 97.09 C ATOM 178 C MET 187 -8.739 30.790 58.557 1.00 97.09 C ATOM 179 O MET 187 -9.346 31.676 59.155 1.00 97.09 O ATOM 180 N ARG 188 -7.421 30.594 58.735 1.00 95.96 N ATOM 181 CA ARG 188 -6.741 31.420 59.686 1.00 95.96 C ATOM 182 CB ARG 188 -5.691 30.657 60.511 1.00 95.96 C ATOM 183 CG ARG 188 -4.596 29.997 59.673 1.00 95.96 C ATOM 184 CD ARG 188 -3.708 29.058 60.492 1.00 95.96 C ATOM 185 NE ARG 188 -4.574 27.943 60.970 1.00 95.96 N ATOM 186 CZ ARG 188 -5.248 28.059 62.153 1.00 95.96 C ATOM 187 NH1 ARG 188 -5.114 29.187 62.911 1.00 95.96 N ATOM 188 NH2 ARG 188 -6.059 27.046 62.577 1.00 95.96 N ATOM 189 C ARG 188 -6.039 32.541 58.931 1.00 95.96 C ATOM 190 O ARG 188 -4.811 32.722 59.144 1.00 95.96 O ATOM 191 OXT ARG 188 -6.725 33.235 58.135 1.00 95.96 O