EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.7451 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1765.70374 REMARK 6 GA341 score: 0.99381 REMARK 6 Normalized DOPE score: -0.48681 REMARK 6 TEMPLATE: 1llmC01 101:C - 126:C MODELS 1: - 26: AT 50.0% ATOM 1 N GLU 147 -10.957 44.276 69.608 1.00 80.15 N ATOM 2 CA GLU 147 -11.064 45.658 69.091 1.00 80.15 C ATOM 3 CB GLU 147 -11.754 46.575 70.117 1.00 80.15 C ATOM 4 CG GLU 147 -13.252 46.301 70.258 1.00 80.15 C ATOM 5 CD GLU 147 -13.894 46.631 68.919 1.00 80.15 C ATOM 6 OE1 GLU 147 -13.423 47.594 68.257 1.00 80.15 O ATOM 7 OE2 GLU 147 -14.860 45.917 68.536 1.00 80.15 O ATOM 8 C GLU 147 -9.714 46.209 68.790 1.00 80.15 C ATOM 9 O GLU 147 -8.708 45.504 68.866 1.00 80.15 O ATOM 10 N LYS 148 -9.660 47.499 68.412 1.00 54.04 N ATOM 11 CA LYS 148 -8.393 48.087 68.102 1.00 54.04 C ATOM 12 CB LYS 148 -8.350 48.663 66.680 1.00 54.04 C ATOM 13 CG LYS 148 -8.571 47.584 65.621 1.00 54.04 C ATOM 14 CD LYS 148 -8.923 48.133 64.242 1.00 54.04 C ATOM 15 CE LYS 148 -9.266 47.032 63.239 1.00 54.04 C ATOM 16 NZ LYS 148 -9.675 47.636 61.953 1.00 54.04 N ATOM 17 C LYS 148 -8.177 49.210 69.061 1.00 54.04 C ATOM 18 O LYS 148 -8.637 50.334 68.864 1.00 54.04 O ATOM 19 N PRO 149 -7.491 48.885 70.114 1.00 81.46 N ATOM 20 CA PRO 149 -7.177 49.805 71.174 1.00 81.46 C ATOM 21 CD PRO 149 -7.373 47.496 70.524 1.00 81.46 C ATOM 22 CB PRO 149 -6.794 48.930 72.371 1.00 81.46 C ATOM 23 CG PRO 149 -6.481 47.549 71.769 1.00 81.46 C ATOM 24 C PRO 149 -6.148 50.859 70.886 1.00 81.46 C ATOM 25 O PRO 149 -6.150 51.866 71.594 1.00 81.46 O ATOM 26 N PHE 150 -5.259 50.672 69.889 1.00118.92 N ATOM 27 CA PHE 150 -4.195 51.629 69.758 1.00118.92 C ATOM 28 CB PHE 150 -2.812 50.960 69.631 1.00118.92 C ATOM 29 CG PHE 150 -2.649 50.071 70.822 1.00118.92 C ATOM 30 CD1 PHE 150 -2.122 50.543 72.002 1.00118.92 C ATOM 31 CD2 PHE 150 -3.045 48.755 70.752 1.00118.92 C ATOM 32 CE1 PHE 150 -1.986 49.708 73.087 1.00118.92 C ATOM 33 CE2 PHE 150 -2.911 47.916 71.831 1.00118.92 C ATOM 34 CZ PHE 150 -2.378 48.394 73.005 1.00118.92 C ATOM 35 C PHE 150 -4.436 52.467 68.538 1.00118.92 C ATOM 36 O PHE 150 -4.543 51.949 67.429 1.00118.92 O ATOM 37 N THR 151 -4.493 53.805 68.718 1.00 39.05 N ATOM 38 CA THR 151 -4.799 54.678 67.618 1.00 39.05 C ATOM 39 CB THR 151 -5.952 55.607 67.894 0.50 39.05 C ATOM 40 OG1 THR 151 -7.129 54.866 68.180 1.00 39.05 O ATOM 41 CG2 THR 151 -6.183 56.511 66.672 1.00 39.05 C ATOM 42 C THR 151 -3.615 55.539 67.296 1.00 39.05 C ATOM 43 O THR 151 -2.840 55.930 68.169 1.00 39.05 O ATOM 44 N CYS 152 -3.456 55.844 65.993 1.00 49.06 N ATOM 45 CA CYS 152 -2.402 56.692 65.518 1.00 49.06 C ATOM 46 CB CYS 152 -2.015 56.391 64.053 1.00 49.06 C ATOM 47 SG CYS 152 -0.692 57.464 63.418 1.00 49.06 S ATOM 48 C CYS 152 -2.945 58.086 65.576 1.00 49.06 C ATOM 49 O CYS 152 -4.053 58.349 65.112 1.00 49.06 O ATOM 50 N THR 153 -2.184 59.018 66.178 1.00113.02 N ATOM 51 CA THR 153 -2.658 60.362 66.354 1.00113.02 C ATOM 52 CB THR 153 -1.727 61.216 67.169 1.00113.02 C ATOM 53 OG1 THR 153 -0.492 61.381 66.488 1.00113.02 O ATOM 54 CG2 THR 153 -1.496 60.551 68.537 1.00113.02 C ATOM 55 C THR 153 -2.821 61.064 65.040 1.00113.02 C ATOM 56 O THR 153 -3.777 61.814 64.847 1.00113.02 O ATOM 57 N GLN 154 -1.853 60.906 64.118 1.00 79.32 N ATOM 58 CA GLN 154 -1.976 61.661 62.905 1.00 79.32 C ATOM 59 CB GLN 154 -0.673 61.689 62.093 1.00 79.32 C ATOM 60 CG GLN 154 0.424 62.471 62.821 1.00 79.32 C ATOM 61 CD GLN 154 1.660 62.547 61.940 1.00 79.32 C ATOM 62 OE1 GLN 154 1.752 61.882 60.909 1.00 79.32 O ATOM 63 NE2 GLN 154 2.645 63.384 62.361 1.00 79.32 N ATOM 64 C GLN 154 -3.080 61.162 62.019 1.00 79.32 C ATOM 65 O GLN 154 -3.976 61.918 61.644 1.00 79.32 O ATOM 66 N CYS 155 -3.024 59.862 61.672 1.00 96.71 N ATOM 67 CA CYS 155 -3.943 59.201 60.786 1.00 96.71 C ATOM 68 CB CYS 155 -3.383 57.833 60.366 1.00 96.71 C ATOM 69 SG CYS 155 -4.469 56.914 59.245 1.00 96.71 S ATOM 70 C CYS 155 -5.273 58.986 61.436 1.00 96.71 C ATOM 71 O CYS 155 -6.318 59.178 60.816 1.00 96.71 O ATOM 72 N GLY 156 -5.267 58.569 62.717 1.00 22.93 N ATOM 73 CA GLY 156 -6.487 58.318 63.424 1.00 22.93 C ATOM 74 C GLY 156 -6.880 56.881 63.243 1.00 22.93 C ATOM 75 O GLY 156 -7.925 56.460 63.737 1.00 22.93 O ATOM 76 N LYS 157 -6.062 56.077 62.534 1.00 40.29 N ATOM 77 CA LYS 157 -6.412 54.695 62.333 1.00 40.29 C ATOM 78 CB LYS 157 -5.589 54.002 61.230 1.00 40.29 C ATOM 79 CG LYS 157 -5.978 52.542 60.974 1.00 40.29 C ATOM 80 CD LYS 157 -5.375 51.980 59.683 1.00 40.29 C ATOM 81 CE LYS 157 -5.771 50.534 59.376 1.00 40.29 C ATOM 82 NZ LYS 157 -5.265 50.154 58.037 1.00 40.29 N ATOM 83 C LYS 157 -6.168 53.957 63.613 1.00 40.29 C ATOM 84 O LYS 157 -5.266 54.302 64.375 1.00 40.29 O ATOM 85 N SER 158 -6.982 52.912 63.888 1.00 77.73 N ATOM 86 CA SER 158 -6.822 52.167 65.107 1.00 77.73 C ATOM 87 CB SER 158 -8.132 51.981 65.895 1.00 77.73 C ATOM 88 OG SER 158 -9.061 51.230 65.128 1.00 77.73 O ATOM 89 C SER 158 -6.288 50.810 64.764 1.00 77.73 C ATOM 90 O SER 158 -6.557 50.279 63.688 1.00 77.73 O ATOM 91 N PHE 159 -5.491 50.216 65.679 1.00 55.31 N ATOM 92 CA PHE 159 -4.895 48.941 65.394 1.00 55.31 C ATOM 93 CB PHE 159 -3.374 49.018 65.181 1.00 55.31 C ATOM 94 CG PHE 159 -3.145 49.795 63.932 1.00 55.31 C ATOM 95 CD1 PHE 159 -3.123 51.170 63.954 1.00 55.31 C ATOM 96 CD2 PHE 159 -2.960 49.145 62.736 1.00 55.31 C ATOM 97 CE1 PHE 159 -2.913 51.887 62.799 1.00 55.31 C ATOM 98 CE2 PHE 159 -2.750 49.857 61.580 1.00 55.31 C ATOM 99 CZ PHE 159 -2.730 51.230 61.608 1.00 55.31 C ATOM 100 C PHE 159 -5.127 48.009 66.540 1.00 55.31 C ATOM 101 O PHE 159 -5.253 48.424 67.691 1.00 55.31 O ATOM 102 N SER 160 -5.197 46.703 66.218 1.00 74.80 N ATOM 103 CA SER 160 -5.422 45.643 67.155 1.00 74.80 C ATOM 104 CB SER 160 -5.654 44.297 66.449 1.00 74.80 C ATOM 105 OG SER 160 -5.809 43.258 67.402 1.00 74.80 O ATOM 106 C SER 160 -4.230 45.482 68.046 1.00 74.80 C ATOM 107 O SER 160 -4.371 45.080 69.201 1.00 74.80 O ATOM 108 N HIS 161 -3.015 45.776 67.537 1.00 72.22 N ATOM 109 CA HIS 161 -1.865 45.571 68.374 1.00 72.22 C ATOM 110 ND1 HIS 161 -0.880 41.876 68.483 1.00 72.22 N ATOM 111 CG HIS 161 -1.556 43.075 68.490 1.00 72.22 C ATOM 112 CB HIS 161 -0.991 44.367 67.984 1.00 72.22 C ATOM 113 NE2 HIS 161 -2.865 41.483 69.407 1.00 72.22 N ATOM 114 CD2 HIS 161 -2.766 42.815 69.056 1.00 72.22 C ATOM 115 CE1 HIS 161 -1.708 40.959 69.044 1.00 72.22 C ATOM 116 C HIS 161 -0.979 46.773 68.404 1.00 72.22 C ATOM 117 O HIS 161 -0.835 47.507 67.428 1.00 72.22 O ATOM 118 N SER 162 -0.344 46.967 69.577 1.00 72.47 N ATOM 119 CA SER 162 0.533 48.064 69.847 1.00 72.47 C ATOM 120 CB SER 162 1.029 48.078 71.302 1.00 72.47 C ATOM 121 OG SER 162 1.897 49.183 71.510 1.00 72.47 O ATOM 122 C SER 162 1.747 47.982 68.973 1.00 72.47 C ATOM 123 O SER 162 2.240 49.009 68.512 1.00 72.47 O ATOM 124 N SER 163 2.269 46.766 68.718 1.00 62.87 N ATOM 125 CA SER 163 3.471 46.641 67.938 1.00 62.87 C ATOM 126 CB SER 163 3.925 45.183 67.754 1.00 62.87 C ATOM 127 OG SER 163 5.082 45.140 66.933 1.00 62.87 O ATOM 128 C SER 163 3.200 47.182 66.577 1.00 62.87 C ATOM 129 O SER 163 4.020 47.896 66.003 1.00 62.87 O ATOM 130 N HIS 164 2.021 46.851 66.030 1.00 78.06 N ATOM 131 CA HIS 164 1.670 47.299 64.719 1.00 78.06 C ATOM 132 ND1 HIS 164 0.426 44.175 64.586 1.00 78.06 N ATOM 133 CG HIS 164 0.522 45.275 63.763 1.00 78.06 C ATOM 134 CB HIS 164 0.357 46.693 64.207 1.00 78.06 C ATOM 135 NE2 HIS 164 0.845 43.406 62.544 1.00 78.06 N ATOM 136 CD2 HIS 164 0.779 44.787 62.520 1.00 78.06 C ATOM 137 CE1 HIS 164 0.627 43.084 63.805 1.00 78.06 C ATOM 138 C HIS 164 1.533 48.786 64.719 1.00 78.06 C ATOM 139 O HIS 164 1.911 49.448 63.756 1.00 78.06 O ATOM 140 N LEU 165 0.978 49.360 65.802 1.00 44.03 N ATOM 141 CA LEU 165 0.795 50.781 65.840 1.00 44.03 C ATOM 142 CB LEU 165 0.085 51.267 67.112 0.50 44.03 C ATOM 143 CG LEU 165 -0.050 52.798 67.171 0.50 44.03 C ATOM 144 CD1 LEU 165 -0.868 53.338 65.987 0.50 44.03 C ATOM 145 CD2 LEU 165 -0.592 53.252 68.536 0.50 44.03 C ATOM 146 C LEU 165 2.125 51.466 65.770 1.00 44.03 C ATOM 147 O LEU 165 2.285 52.442 65.039 1.00 44.03 O ATOM 148 N ASN 166 3.134 50.969 66.510 1.00 80.47 N ATOM 149 CA ASN 166 4.409 51.633 66.518 1.00 80.47 C ATOM 150 CB ASN 166 5.422 51.007 67.483 1.00 80.47 C ATOM 151 CG ASN 166 6.657 51.895 67.459 1.00 80.47 C ATOM 152 OD1 ASN 166 6.710 52.926 68.127 1.00 80.47 O ATOM 153 ND2 ASN 166 7.683 51.488 66.663 1.00 80.47 N ATOM 154 C ASN 166 5.031 51.603 65.154 1.00 80.47 C ATOM 155 O ASN 166 5.572 52.607 64.692 1.00 80.47 O ATOM 156 N LEU 167 4.969 50.445 64.474 1.00118.10 N ATOM 157 CA LEU 167 5.573 50.282 63.181 1.00118.10 C ATOM 158 CB LEU 167 5.404 48.838 62.669 1.00118.10 C ATOM 159 CG LEU 167 6.089 48.541 61.325 1.00118.10 C ATOM 160 CD1 LEU 167 7.617 48.619 61.463 1.00118.10 C ATOM 161 CD2 LEU 167 5.612 47.203 60.739 1.00118.10 C ATOM 162 C LEU 167 4.885 51.215 62.225 1.00118.10 C ATOM 163 O LEU 167 5.518 51.860 61.392 1.00118.10 O ATOM 164 N HIS 168 3.554 51.326 62.357 1.00108.44 N ATOM 165 CA HIS 168 2.720 52.140 61.520 1.00108.44 C ATOM 166 ND1 HIS 168 -0.148 54.128 61.960 1.00108.44 N ATOM 167 CG HIS 168 0.284 52.978 61.341 1.00108.44 C ATOM 168 CB HIS 168 1.252 52.028 61.977 1.00108.44 C ATOM 169 NE2 HIS 168 -1.208 54.023 60.011 1.00108.44 N ATOM 170 CD2 HIS 168 -0.370 52.931 60.151 1.00108.44 C ATOM 171 CE1 HIS 168 -1.041 54.713 61.123 1.00108.44 C ATOM 172 C HIS 168 3.130 53.574 61.627 1.00108.44 C ATOM 173 O HIS 168 3.232 54.278 60.623 1.00108.44 O ATOM 174 N MET 169 3.418 54.027 62.856 1.00113.73 N ATOM 175 CA MET 169 3.695 55.403 63.161 1.00113.73 C ATOM 176 CB MET 169 3.957 55.592 64.666 1.00113.73 C ATOM 177 CG MET 169 3.852 57.029 65.178 1.00113.73 C ATOM 178 SD MET 169 4.165 57.185 66.965 1.00113.73 S ATOM 179 CE MET 169 3.094 55.797 67.448 1.00113.73 C ATOM 180 C MET 169 4.913 55.877 62.437 1.00113.73 C ATOM 181 O MET 169 4.962 57.014 61.965 1.00113.73 O ATOM 182 N ARG 170 5.930 55.013 62.311 1.00122.85 N ATOM 183 CA ARG 170 7.168 55.461 61.758 1.00122.85 C ATOM 184 CB ARG 170 8.275 54.391 61.759 1.00122.85 C ATOM 185 CG ARG 170 7.992 53.129 60.945 1.00122.85 C ATOM 186 CD ARG 170 9.101 52.085 61.106 1.00122.85 C ATOM 187 NE ARG 170 8.869 50.994 60.120 1.00122.85 N ATOM 188 CZ ARG 170 9.939 50.464 59.454 1.00122.85 C ATOM 189 NH1 ARG 170 11.195 50.932 59.698 1.00122.85 N ATOM 190 NH2 ARG 170 9.746 49.459 58.548 1.00122.85 N ATOM 191 C ARG 170 6.956 55.952 60.365 1.00122.85 C ATOM 192 O ARG 170 7.615 56.904 59.950 1.00122.85 O ATOM 193 N ILE 171 6.026 55.343 59.601 1.00 88.80 N ATOM 194 CA ILE 171 5.883 55.756 58.235 1.00 88.80 C ATOM 195 CB ILE 171 4.821 55.008 57.474 1.00 88.80 C ATOM 196 CG1 ILE 171 3.420 55.255 58.054 1.00 88.80 C ATOM 197 CG2 ILE 171 5.225 53.525 57.432 1.00 88.80 C ATOM 198 CD1 ILE 171 2.311 54.776 57.120 1.00 88.80 C ATOM 199 C ILE 171 5.532 57.208 58.199 1.00 88.80 C ATOM 200 O ILE 171 6.129 57.980 57.451 1.00 88.80 O ATOM 201 N HIS 172 4.574 57.637 59.033 1.00 29.33 N ATOM 202 CA HIS 172 4.216 59.021 59.007 1.00 29.33 C ATOM 203 ND1 HIS 172 0.826 59.324 58.417 1.00 29.33 N ATOM 204 CG HIS 172 1.706 58.685 59.261 1.00 29.33 C ATOM 205 CB HIS 172 2.948 59.323 59.825 1.00 29.33 C ATOM 206 NE2 HIS 172 0.037 57.266 58.718 1.00 29.33 N ATOM 207 CD2 HIS 172 1.211 57.430 59.435 1.00 29.33 C ATOM 208 CE1 HIS 172 -0.154 58.428 58.124 1.00 29.33 C ATOM 209 C HIS 172 5.374 59.796 59.623 1.00 29.33 C ATOM 210 O HIS 172 5.965 60.647 58.904 1.00 29.33 O ATOM 211 OXT HIS 172 5.682 59.548 60.820 1.00 29.33 O