EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 74.7076 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1084.15491 REMARK 6 GA341 score: 0.74666 REMARK 6 Normalized DOPE score: -0.75682 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 164 -14.597 49.059 49.283 1.00 27.49 N ATOM 2 CA GLU 164 -14.566 47.926 48.332 1.00 27.49 C ATOM 3 CB GLU 164 -14.207 48.434 46.924 1.00 27.49 C ATOM 4 CG GLU 164 -14.290 47.371 45.825 1.00 27.49 C ATOM 5 CD GLU 164 -13.895 48.043 44.516 1.00 27.49 C ATOM 6 OE1 GLU 164 -13.317 49.159 44.576 1.00 27.49 O ATOM 7 OE2 GLU 164 -14.156 47.444 43.437 1.00 27.49 O ATOM 8 C GLU 164 -13.543 46.927 48.766 1.00 27.49 C ATOM 9 O GLU 164 -12.503 47.283 49.320 1.00 27.49 O ATOM 10 N LYS 165 -13.833 45.631 48.554 1.00112.21 N ATOM 11 CA LYS 165 -12.885 44.630 48.940 1.00112.21 C ATOM 12 CB LYS 165 -13.479 43.616 49.931 1.00112.21 C ATOM 13 CG LYS 165 -13.914 44.279 51.241 1.00112.21 C ATOM 14 CD LYS 165 -15.082 45.254 51.066 1.00112.21 C ATOM 15 CE LYS 165 -15.354 46.129 52.293 1.00112.21 C ATOM 16 NZ LYS 165 -15.921 45.317 53.391 1.00112.21 N ATOM 17 C LYS 165 -12.503 43.907 47.688 1.00112.21 C ATOM 18 O LYS 165 -13.237 43.064 47.178 1.00112.21 O ATOM 19 N PRO 166 -11.357 44.262 47.185 1.00105.24 N ATOM 20 CA PRO 166 -10.888 43.686 45.954 1.00105.24 C ATOM 21 CD PRO 166 -10.916 45.640 47.335 1.00105.24 C ATOM 22 CB PRO 166 -9.788 44.616 45.447 1.00105.24 C ATOM 23 CG PRO 166 -10.170 45.985 46.036 1.00105.24 C ATOM 24 C PRO 166 -10.468 42.252 46.003 1.00105.24 C ATOM 25 O PRO 166 -10.437 41.622 44.946 1.00105.24 O ATOM 26 N PHE 167 -10.129 41.700 47.182 1.00 51.91 N ATOM 27 CA PHE 167 -9.648 40.349 47.154 1.00 51.91 C ATOM 28 CB PHE 167 -8.402 40.126 48.026 1.00 51.91 C ATOM 29 CG PHE 167 -7.284 40.839 47.349 1.00 51.91 C ATOM 30 CD1 PHE 167 -6.587 40.220 46.339 1.00 51.91 C ATOM 31 CD2 PHE 167 -6.937 42.119 47.714 1.00 51.91 C ATOM 32 CE1 PHE 167 -5.555 40.865 45.701 1.00 51.91 C ATOM 33 CE2 PHE 167 -5.907 42.770 47.079 1.00 51.91 C ATOM 34 CZ PHE 167 -5.212 42.144 46.071 1.00 51.91 C ATOM 35 C PHE 167 -10.720 39.432 47.634 1.00 51.91 C ATOM 36 O PHE 167 -11.257 39.600 48.726 1.00 51.91 O ATOM 37 N THR 168 -11.056 38.414 46.815 1.00 95.95 N ATOM 38 CA THR 168 -12.076 37.496 47.222 1.00 95.95 C ATOM 39 CB THR 168 -13.262 37.456 46.305 1.00 95.95 C ATOM 40 OG1 THR 168 -14.300 36.676 46.881 1.00 95.95 O ATOM 41 CG2 THR 168 -12.832 36.861 44.954 1.00 95.95 C ATOM 42 C THR 168 -11.491 36.122 47.258 1.00 95.95 C ATOM 43 O THR 168 -10.657 35.764 46.427 1.00 95.95 O ATOM 44 N CYS 169 -11.902 35.322 48.262 1.00 39.15 N ATOM 45 CA CYS 169 -11.423 33.972 48.380 1.00 39.15 C ATOM 46 CB CYS 169 -11.631 33.351 49.770 1.00 39.15 C ATOM 47 SG CYS 169 -11.000 31.649 49.869 1.00 39.15 S ATOM 48 C CYS 169 -12.153 33.130 47.388 1.00 39.15 C ATOM 49 O CYS 169 -13.367 33.234 47.229 1.00 39.15 O ATOM 50 N THR 170 -11.417 32.250 46.689 1.00111.87 N ATOM 51 CA THR 170 -12.023 31.450 45.669 1.00111.87 C ATOM 52 CB THR 170 -11.030 30.638 44.889 1.00111.87 C ATOM 53 OG1 THR 170 -10.382 29.702 45.736 1.00111.87 O ATOM 54 CG2 THR 170 -9.999 31.594 44.264 1.00111.87 C ATOM 55 C THR 170 -13.022 30.497 46.252 1.00111.87 C ATOM 56 O THR 170 -14.104 30.320 45.693 1.00111.87 O ATOM 57 N GLN 171 -12.686 29.820 47.368 1.00118.66 N ATOM 58 CA GLN 171 -13.624 28.836 47.834 1.00118.66 C ATOM 59 CB GLN 171 -13.101 27.973 48.992 1.00118.66 C ATOM 60 CG GLN 171 -11.925 27.059 48.662 1.00118.66 C ATOM 61 CD GLN 171 -11.772 26.137 49.862 1.00118.66 C ATOM 62 OE1 GLN 171 -12.563 25.215 50.056 1.00118.66 O ATOM 63 NE2 GLN 171 -10.740 26.397 50.707 1.00118.66 N ATOM 64 C GLN 171 -14.883 29.434 48.384 1.00118.66 C ATOM 65 O GLN 171 -15.976 29.161 47.889 1.00118.66 O ATOM 66 N CYS 172 -14.734 30.263 49.440 1.00 56.17 N ATOM 67 CA CYS 172 -15.838 30.818 50.179 1.00 56.17 C ATOM 68 CB CYS 172 -15.416 31.362 51.553 1.00 56.17 C ATOM 69 SG CYS 172 -14.130 32.639 51.439 1.00 56.17 S ATOM 70 C CYS 172 -16.548 31.905 49.440 1.00 56.17 C ATOM 71 O CYS 172 -17.776 31.959 49.441 1.00 56.17 O ATOM 72 N GLY 173 -15.795 32.799 48.776 1.00 26.37 N ATOM 73 CA GLY 173 -16.429 33.897 48.110 1.00 26.37 C ATOM 74 C GLY 173 -16.372 35.104 49.000 1.00 26.37 C ATOM 75 O GLY 173 -16.902 36.158 48.653 1.00 26.37 O ATOM 76 N LYS 174 -15.725 34.987 50.179 1.00112.69 N ATOM 77 CA LYS 174 -15.603 36.117 51.060 1.00112.69 C ATOM 78 CB LYS 174 -14.906 35.829 52.397 1.00112.69 C ATOM 79 CG LYS 174 -15.773 35.203 53.477 1.00112.69 C ATOM 80 CD LYS 174 -14.943 34.724 54.666 1.00112.69 C ATOM 81 CE LYS 174 -15.782 34.299 55.868 1.00112.69 C ATOM 82 NZ LYS 174 -16.435 33.000 55.591 1.00112.69 N ATOM 83 C LYS 174 -14.714 37.125 50.411 1.00112.69 C ATOM 84 O LYS 174 -13.788 36.780 49.679 1.00112.69 O ATOM 85 N SER 175 -14.976 38.420 50.687 1.00 45.77 N ATOM 86 CA SER 175 -14.165 39.462 50.127 1.00 45.77 C ATOM 87 CB SER 175 -14.979 40.555 49.412 1.00 45.77 C ATOM 88 OG SER 175 -15.644 40.012 48.280 1.00 45.77 O ATOM 89 C SER 175 -13.443 40.124 51.257 1.00 45.77 C ATOM 90 O SER 175 -13.947 40.173 52.379 1.00 45.77 O ATOM 91 N PHE 176 -12.226 40.646 50.985 1.00 58.04 N ATOM 92 CA PHE 176 -11.444 41.259 52.023 1.00 58.04 C ATOM 93 CB PHE 176 -10.225 40.413 52.439 1.00 58.04 C ATOM 94 CG PHE 176 -10.739 39.172 53.084 1.00 58.04 C ATOM 95 CD1 PHE 176 -10.977 39.134 54.439 1.00 58.04 C ATOM 96 CD2 PHE 176 -10.995 38.045 52.334 1.00 58.04 C ATOM 97 CE1 PHE 176 -11.455 37.992 55.038 1.00 58.04 C ATOM 98 CE2 PHE 176 -11.475 36.901 52.928 1.00 58.04 C ATOM 99 CZ PHE 176 -11.705 36.871 54.284 1.00 58.04 C ATOM 100 C PHE 176 -10.913 42.568 51.534 1.00 58.04 C ATOM 101 O PHE 176 -10.717 42.777 50.338 1.00 58.04 O ATOM 102 N SER 177 -10.686 43.493 52.488 1.00 78.35 N ATOM 103 CA SER 177 -10.179 44.804 52.224 1.00 78.35 C ATOM 104 CB SER 177 -10.178 45.682 53.485 1.00 78.35 C ATOM 105 OG SER 177 -11.504 45.827 53.972 1.00 78.35 O ATOM 106 C SER 177 -8.758 44.700 51.764 1.00 78.35 C ATOM 107 O SER 177 -8.327 45.475 50.912 1.00 78.35 O ATOM 108 N HIS 178 -7.982 43.744 52.314 1.00 73.93 N ATOM 109 CA HIS 178 -6.600 43.711 51.919 1.00 73.93 C ATOM 110 ND1 HIS 178 -7.050 46.337 53.756 1.00 73.93 N ATOM 111 CG HIS 178 -5.950 45.829 53.101 1.00 73.93 C ATOM 112 CB HIS 178 -5.667 44.359 52.954 1.00 73.93 C ATOM 113 NE2 HIS 178 -5.894 48.083 53.006 1.00 73.93 N ATOM 114 CD2 HIS 178 -5.254 46.909 52.648 1.00 73.93 C ATOM 115 CE1 HIS 178 -6.966 47.688 53.669 1.00 73.93 C ATOM 116 C HIS 178 -6.156 42.303 51.670 1.00 73.93 C ATOM 117 O HIS 178 -6.726 41.340 52.176 1.00 73.93 O ATOM 118 N SER 179 -5.092 42.172 50.852 1.00 66.27 N ATOM 119 CA SER 179 -4.559 40.905 50.435 1.00 66.27 C ATOM 120 CB SER 179 -3.401 41.056 49.434 1.00 66.27 C ATOM 121 OG SER 179 -2.304 41.710 50.054 1.00 66.27 O ATOM 122 C SER 179 -4.028 40.154 51.611 1.00 66.27 C ATOM 123 O SER 179 -4.189 38.938 51.702 1.00 66.27 O ATOM 124 N SER 180 -3.384 40.863 52.555 1.00 59.84 N ATOM 125 CA SER 180 -2.784 40.193 53.671 1.00 59.84 C ATOM 126 CB SER 180 -2.070 41.160 54.631 1.00 59.84 C ATOM 127 OG SER 180 -1.497 40.444 55.714 1.00 59.84 O ATOM 128 C SER 180 -3.853 39.488 54.442 1.00 59.84 C ATOM 129 O SER 180 -3.664 38.350 54.869 1.00 59.84 O ATOM 130 N THR 181 -5.014 40.143 54.632 1.00 97.97 N ATOM 131 CA THR 181 -6.065 39.554 55.410 1.00 97.97 C ATOM 132 CB THR 181 -7.222 40.482 55.657 1.00 97.97 C ATOM 133 OG1 THR 181 -7.860 40.819 54.434 1.00 97.97 O ATOM 134 CG2 THR 181 -6.689 41.750 56.344 1.00 97.97 C ATOM 135 C THR 181 -6.588 38.336 54.717 1.00 97.97 C ATOM 136 O THR 181 -6.884 37.330 55.359 1.00 97.97 O ATOM 137 N LEU 182 -6.705 38.382 53.378 1.00 43.08 N ATOM 138 CA LEU 182 -7.253 37.268 52.659 1.00 43.08 C ATOM 139 CB LEU 182 -7.304 37.507 51.142 1.00 43.08 C ATOM 140 CG LEU 182 -7.852 36.303 50.353 1.00 43.08 C ATOM 141 CD1 LEU 182 -9.312 36.004 50.723 1.00 43.08 C ATOM 142 CD2 LEU 182 -7.652 36.491 48.843 1.00 43.08 C ATOM 143 C LEU 182 -6.394 36.069 52.880 1.00 43.08 C ATOM 144 O LEU 182 -6.895 34.964 53.081 1.00 43.08 O ATOM 145 N SER 183 -5.063 36.254 52.857 1.00 68.09 N ATOM 146 CA SER 183 -4.200 35.120 52.999 1.00 68.09 C ATOM 147 CB SER 183 -2.705 35.491 52.964 1.00 68.09 C ATOM 148 OG SER 183 -2.357 36.261 54.103 1.00 68.09 O ATOM 149 C SER 183 -4.483 34.471 54.316 1.00 68.09 C ATOM 150 O SER 183 -4.709 33.265 54.385 1.00 68.09 O ATOM 151 N LYS 184 -4.501 35.263 55.403 1.00 73.34 N ATOM 152 CA LYS 184 -4.737 34.686 56.692 1.00 73.34 C ATOM 153 CB LYS 184 -3.962 35.379 57.823 1.00 73.34 C ATOM 154 CG LYS 184 -2.487 34.979 57.843 1.00 73.34 C ATOM 155 CD LYS 184 -2.296 33.475 58.059 1.00 73.34 C ATOM 156 CE LYS 184 -0.842 33.011 57.934 1.00 73.34 C ATOM 157 NZ LYS 184 -0.756 31.556 58.187 1.00 73.34 N ATOM 158 C LYS 184 -6.220 34.771 57.022 1.00 73.34 C ATOM 159 O LYS 184 -6.552 34.689 58.235 1.00 73.34 O ATOM 160 OXT LYS 184 -7.039 34.903 56.076 1.00 73.34 O