EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:20 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.2778 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1130.38953 REMARK 6 GA341 score: 0.76401 REMARK 6 Normalized DOPE score: -0.36741 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 60.0% ATOM 1 N GLU 174 -7.678 43.084 42.768 1.00 28.10 N ATOM 2 CA GLU 174 -8.549 41.885 42.727 1.00 28.10 C ATOM 3 CB GLU 174 -8.493 41.225 41.342 1.00 28.10 C ATOM 4 CG GLU 174 -9.412 40.009 41.195 1.00 28.10 C ATOM 5 CD GLU 174 -9.159 39.419 39.815 1.00 28.10 C ATOM 6 OE1 GLU 174 -9.716 39.967 38.826 1.00 28.10 O ATOM 7 OE2 GLU 174 -8.399 38.418 39.733 1.00 28.10 O ATOM 8 C GLU 174 -8.100 40.874 43.726 1.00 28.10 C ATOM 9 O GLU 174 -6.962 40.916 44.192 1.00 28.10 O ATOM 10 N LYS 175 -8.997 39.940 44.104 1.00 98.01 N ATOM 11 CA LYS 175 -8.563 38.957 45.050 1.00 98.01 C ATOM 12 CB LYS 175 -9.322 38.998 46.389 1.00 98.01 C ATOM 13 CG LYS 175 -9.601 40.392 46.959 1.00 98.01 C ATOM 14 CD LYS 175 -10.797 41.071 46.282 1.00 98.01 C ATOM 15 CE LYS 175 -11.432 42.192 47.108 1.00 98.01 C ATOM 16 NZ LYS 175 -12.765 42.522 46.558 1.00 98.01 N ATOM 17 C LYS 175 -8.870 37.615 44.457 1.00 98.01 C ATOM 18 O LYS 175 -10.020 37.180 44.438 1.00 98.01 O ATOM 19 N PRO 176 -7.858 36.960 43.968 1.00106.74 N ATOM 20 CA PRO 176 -8.039 35.665 43.363 1.00106.74 C ATOM 21 CD PRO 176 -6.792 37.711 43.324 1.00106.74 C ATOM 22 CB PRO 176 -6.794 35.430 42.507 1.00106.74 C ATOM 23 CG PRO 176 -6.328 36.850 42.142 1.00106.74 C ATOM 24 C PRO 176 -8.352 34.526 44.292 1.00106.74 C ATOM 25 O PRO 176 -8.866 33.518 43.811 1.00106.74 O ATOM 26 N PHE 177 -8.063 34.635 45.604 1.00107.45 N ATOM 27 CA PHE 177 -8.251 33.498 46.468 1.00107.45 C ATOM 28 CB PHE 177 -7.121 33.364 47.502 1.00107.45 C ATOM 29 CG PHE 177 -5.863 33.072 46.753 1.00107.45 C ATOM 30 CD1 PHE 177 -5.124 34.091 46.195 1.00107.45 C ATOM 31 CD2 PHE 177 -5.429 31.776 46.590 1.00107.45 C ATOM 32 CE1 PHE 177 -3.966 33.825 45.502 1.00107.45 C ATOM 33 CE2 PHE 177 -4.272 31.504 45.898 1.00107.45 C ATOM 34 CZ PHE 177 -3.537 32.528 45.353 1.00107.45 C ATOM 35 C PHE 177 -9.539 33.650 47.213 1.00107.45 C ATOM 36 O PHE 177 -9.794 34.689 47.819 1.00107.45 O ATOM 37 N THR 178 -10.387 32.595 47.201 1.00 97.59 N ATOM 38 CA THR 178 -11.667 32.704 47.842 1.00 97.59 C ATOM 39 CB THR 178 -12.826 32.528 46.906 1.00 97.59 C ATOM 40 OG1 THR 178 -14.034 32.922 47.540 1.00 97.59 O ATOM 41 CG2 THR 178 -12.902 31.043 46.496 1.00 97.59 C ATOM 42 C THR 178 -11.825 31.635 48.883 1.00 97.59 C ATOM 43 O THR 178 -11.381 30.502 48.710 1.00 97.59 O ATOM 44 N CYS 179 -12.468 32.005 50.012 1.00 43.19 N ATOM 45 CA CYS 179 -12.768 31.093 51.083 1.00 43.19 C ATOM 46 CB CYS 179 -13.258 31.806 52.357 1.00 43.19 C ATOM 47 SG CYS 179 -13.669 30.665 53.709 1.00 43.19 S ATOM 48 C CYS 179 -13.900 30.233 50.621 1.00 43.19 C ATOM 49 O CYS 179 -14.939 30.737 50.202 1.00 43.19 O ATOM 50 N THR 180 -13.738 28.901 50.704 1.00103.71 N ATOM 51 CA THR 180 -14.775 28.035 50.221 1.00103.71 C ATOM 52 CB THR 180 -14.384 26.584 50.213 1.00103.71 C ATOM 53 OG1 THR 180 -15.373 25.817 49.540 1.00103.71 O ATOM 54 CG2 THR 180 -14.223 26.089 51.659 1.00103.71 C ATOM 55 C THR 180 -16.000 28.192 51.065 1.00103.71 C ATOM 56 O THR 180 -17.118 28.175 50.551 1.00103.71 O ATOM 57 N GLN 181 -15.827 28.297 52.395 1.00120.29 N ATOM 58 CA GLN 181 -16.983 28.364 53.247 1.00120.29 C ATOM 59 CB GLN 181 -16.608 28.252 54.735 1.00120.29 C ATOM 60 CG GLN 181 -15.849 26.978 55.117 1.00120.29 C ATOM 61 CD GLN 181 -15.344 27.174 56.541 1.00120.29 C ATOM 62 OE1 GLN 181 -14.620 26.340 57.081 1.00120.29 O ATOM 63 NE2 GLN 181 -15.735 28.317 57.169 1.00120.29 N ATOM 64 C GLN 181 -17.722 29.667 53.115 1.00120.29 C ATOM 65 O GLN 181 -18.910 29.681 52.791 1.00120.29 O ATOM 66 N CYS 182 -17.017 30.786 53.389 1.00 98.66 N ATOM 67 CA CYS 182 -17.571 32.118 53.431 1.00 98.66 C ATOM 68 CB CYS 182 -16.659 33.096 54.190 1.00 98.66 C ATOM 69 SG CYS 182 -17.373 34.762 54.246 1.00 98.66 S ATOM 70 C CYS 182 -17.835 32.708 52.076 1.00 98.66 C ATOM 71 O CYS 182 -18.890 33.298 51.844 1.00 98.66 O ATOM 72 N GLY 183 -16.885 32.566 51.133 1.00 26.17 N ATOM 73 CA GLY 183 -17.042 33.190 49.848 1.00 26.17 C ATOM 74 C GLY 183 -16.254 34.471 49.833 1.00 26.17 C ATOM 75 O GLY 183 -16.206 35.160 48.814 1.00 26.17 O ATOM 76 N LYS 184 -15.604 34.819 50.966 1.00 75.63 N ATOM 77 CA LYS 184 -14.817 36.024 51.062 1.00 75.63 C ATOM 78 CB LYS 184 -14.403 36.362 52.510 1.00 75.63 C ATOM 79 CG LYS 184 -13.804 37.760 52.702 1.00 75.63 C ATOM 80 CD LYS 184 -13.697 38.177 54.173 1.00 75.63 C ATOM 81 CE LYS 184 -13.176 39.601 54.375 1.00 75.63 C ATOM 82 NZ LYS 184 -14.296 40.568 54.302 1.00 75.63 N ATOM 83 C LYS 184 -13.566 35.840 50.251 1.00 75.63 C ATOM 84 O LYS 184 -13.008 34.745 50.197 1.00 75.63 O ATOM 85 N SER 185 -13.079 36.926 49.599 1.00 52.83 N ATOM 86 CA SER 185 -11.934 36.788 48.734 1.00 52.83 C ATOM 87 CB SER 185 -12.184 37.295 47.305 1.00 52.83 C ATOM 88 OG SER 185 -13.173 36.496 46.674 1.00 52.83 O ATOM 89 C SER 185 -10.758 37.549 49.281 1.00 52.83 C ATOM 90 O SER 185 -10.922 38.546 49.983 1.00 52.83 O ATOM 91 N PHE 186 -9.530 37.075 48.962 1.00139.93 N ATOM 92 CA PHE 186 -8.318 37.666 49.474 1.00139.93 C ATOM 93 CB PHE 186 -7.611 36.762 50.493 1.00139.93 C ATOM 94 CG PHE 186 -8.477 36.638 51.696 1.00139.93 C ATOM 95 CD1 PHE 186 -9.529 35.747 51.724 1.00139.93 C ATOM 96 CD2 PHE 186 -8.236 37.422 52.799 1.00139.93 C ATOM 97 CE1 PHE 186 -10.325 35.642 52.840 1.00139.93 C ATOM 98 CE2 PHE 186 -9.027 37.320 53.918 1.00139.93 C ATOM 99 CZ PHE 186 -10.074 36.431 53.938 1.00139.93 C ATOM 100 C PHE 186 -7.326 37.838 48.363 1.00139.93 C ATOM 101 O PHE 186 -7.323 37.097 47.381 1.00139.93 O ATOM 102 N SER 187 -6.461 38.863 48.498 1.00 76.37 N ATOM 103 CA SER 187 -5.412 39.122 47.554 1.00 76.37 C ATOM 104 CB SER 187 -4.763 40.503 47.739 1.00 76.37 C ATOM 105 OG SER 187 -3.718 40.667 46.793 1.00 76.37 O ATOM 106 C SER 187 -4.329 38.096 47.709 1.00 76.37 C ATOM 107 O SER 187 -3.685 37.714 46.732 1.00 76.37 O ATOM 108 N GLN 188 -4.090 37.614 48.947 1.00 40.72 N ATOM 109 CA GLN 188 -2.995 36.706 49.130 1.00 40.72 C ATOM 110 CB GLN 188 -1.876 37.281 50.013 1.00 40.72 C ATOM 111 CG GLN 188 -1.171 38.478 49.375 1.00 40.72 C ATOM 112 CD GLN 188 -0.096 38.974 50.335 1.00 40.72 C ATOM 113 OE1 GLN 188 0.769 38.225 50.779 1.00 40.72 O ATOM 114 NE2 GLN 188 -0.176 40.288 50.672 1.00 40.72 N ATOM 115 C GLN 188 -3.468 35.447 49.782 1.00 40.72 C ATOM 116 O GLN 188 -4.436 35.434 50.538 1.00 40.72 O ATOM 117 N LEU 189 -2.760 34.343 49.480 1.00 73.05 N ATOM 118 CA LEU 189 -3.066 33.034 49.967 1.00 73.05 C ATOM 119 CB LEU 189 -2.144 31.964 49.358 1.00 73.05 C ATOM 120 CG LEU 189 -2.431 30.539 49.859 1.00 73.05 C ATOM 121 CD1 LEU 189 -3.808 30.053 49.382 1.00 73.05 C ATOM 122 CD2 LEU 189 -1.290 29.575 49.492 1.00 73.05 C ATOM 123 C LEU 189 -2.889 32.984 51.453 1.00 73.05 C ATOM 124 O LEU 189 -3.708 32.395 52.156 1.00 73.05 O ATOM 125 N SER 190 -1.815 33.605 51.981 1.00 24.47 N ATOM 126 CA SER 190 -1.564 33.498 53.393 1.00 24.47 C ATOM 127 CB SER 190 -0.270 34.195 53.853 1.00 24.47 C ATOM 128 OG SER 190 -0.400 35.602 53.720 1.00 24.47 O ATOM 129 C SER 190 -2.694 34.121 54.151 1.00 24.47 C ATOM 130 O SER 190 -3.141 33.582 55.164 1.00 24.47 O ATOM 131 N HIS 191 -3.193 35.277 53.674 1.00 61.55 N ATOM 132 CA HIS 191 -4.255 35.941 54.370 1.00 61.55 C ATOM 133 ND1 HIS 191 -3.868 39.152 55.270 1.00 61.55 N ATOM 134 CG HIS 191 -3.771 38.437 54.094 1.00 61.55 C ATOM 135 CB HIS 191 -4.675 37.287 53.744 1.00 61.55 C ATOM 136 NE2 HIS 191 -2.221 40.082 54.103 1.00 61.55 N ATOM 137 CD2 HIS 191 -2.758 39.018 53.394 1.00 61.55 C ATOM 138 CE1 HIS 191 -2.920 40.121 55.221 1.00 61.55 C ATOM 139 C HIS 191 -5.449 35.048 54.366 1.00 61.55 C ATOM 140 O HIS 191 -6.141 34.933 55.376 1.00 61.55 O ATOM 141 N LEU 192 -5.717 34.374 53.232 1.00 96.52 N ATOM 142 CA LEU 192 -6.880 33.538 53.177 1.00 96.52 C ATOM 143 CB LEU 192 -7.031 32.808 51.821 1.00 96.52 C ATOM 144 CG LEU 192 -8.394 32.117 51.547 1.00 96.52 C ATOM 145 CD1 LEU 192 -8.340 31.297 50.248 1.00 96.52 C ATOM 146 CD2 LEU 192 -8.920 31.296 52.734 1.00 96.52 C ATOM 147 C LEU 192 -6.697 32.495 54.230 1.00 96.52 C ATOM 148 O LEU 192 -7.607 32.219 55.009 1.00 96.52 O ATOM 149 N ASP 193 -5.497 31.897 54.299 1.00 55.52 N ATOM 150 CA ASP 193 -5.308 30.861 55.266 1.00 55.52 C ATOM 151 CB ASP 193 -4.220 29.856 54.860 1.00 55.52 C ATOM 152 CG ASP 193 -4.396 28.625 55.735 1.00 55.52 C ATOM 153 OD1 ASP 193 -5.123 28.737 56.759 1.00 55.52 O ATOM 154 OD2 ASP 193 -3.814 27.561 55.394 1.00 55.52 O ATOM 155 C ASP 193 -4.900 31.513 56.579 1.00 55.52 C ATOM 156 O ASP 193 -5.705 32.313 57.126 1.00 55.52 O ATOM 157 OXT ASP 193 -3.772 31.208 57.051 1.00 55.52 O