EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.6252 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.895 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1010.68311 REMARK 6 GA341 score: 0.73376 REMARK 6 Normalized DOPE score: -0.23192 REMARK 6 TEMPLATE: 2i13A02 75:A - 93:A MODELS 1: - 19: AT 57.9% ATOM 1 N GLU 157 -11.947 18.849 49.814 1.00 74.14 N ATOM 2 CA GLU 157 -11.766 19.450 51.157 1.00 74.14 C ATOM 3 CB GLU 157 -10.836 18.580 52.023 1.00 74.14 C ATOM 4 CG GLU 157 -11.335 17.166 52.318 1.00 74.14 C ATOM 5 CD GLU 157 -10.158 16.437 52.952 1.00 74.14 C ATOM 6 OE1 GLU 157 -9.883 16.692 54.156 1.00 74.14 O ATOM 7 OE2 GLU 157 -9.509 15.628 52.238 1.00 74.14 O ATOM 8 C GLU 157 -11.091 20.781 51.032 1.00 74.14 C ATOM 9 O GLU 157 -10.192 20.958 50.213 1.00 74.14 O ATOM 10 N LYS 158 -11.538 21.772 51.830 1.00 64.62 N ATOM 11 CA LYS 158 -10.838 23.022 51.827 1.00 64.62 C ATOM 12 CB LYS 158 -11.738 24.248 51.607 1.00 64.62 C ATOM 13 CG LYS 158 -12.466 24.297 50.264 1.00 64.62 C ATOM 14 CD LYS 158 -13.576 25.353 50.257 1.00 64.62 C ATOM 15 CE LYS 158 -14.353 25.453 48.943 1.00 64.62 C ATOM 16 NZ LYS 158 -15.529 26.330 49.138 1.00 64.62 N ATOM 17 C LYS 158 -10.300 23.163 53.213 1.00 64.62 C ATOM 18 O LYS 158 -10.937 23.730 54.098 1.00 64.62 O ATOM 19 N PRO 159 -9.125 22.648 53.400 1.00125.90 N ATOM 20 CA PRO 159 -8.468 22.605 54.676 1.00125.90 C ATOM 21 CD PRO 159 -8.228 22.362 52.293 1.00125.90 C ATOM 22 CB PRO 159 -7.140 21.900 54.407 1.00125.90 C ATOM 23 CG PRO 159 -6.838 22.250 52.936 1.00125.90 C ATOM 24 C PRO 159 -8.247 23.919 55.369 1.00125.90 C ATOM 25 O PRO 159 -8.383 23.945 56.590 1.00125.90 O ATOM 26 N PHE 160 -7.916 25.019 54.659 1.00 64.74 N ATOM 27 CA PHE 160 -7.534 26.186 55.413 1.00 64.74 C ATOM 28 CB PHE 160 -6.156 26.727 55.008 1.00 64.74 C ATOM 29 CG PHE 160 -5.183 25.670 55.394 1.00 64.74 C ATOM 30 CD1 PHE 160 -4.708 25.601 56.683 1.00 64.74 C ATOM 31 CD2 PHE 160 -4.756 24.745 54.471 1.00 64.74 C ATOM 32 CE1 PHE 160 -3.811 24.624 57.047 1.00 64.74 C ATOM 33 CE2 PHE 160 -3.859 23.767 54.828 1.00 64.74 C ATOM 34 CZ PHE 160 -3.388 23.705 56.118 1.00 64.74 C ATOM 35 C PHE 160 -8.521 27.306 55.280 1.00 64.74 C ATOM 36 O PHE 160 -8.804 27.818 54.197 1.00 64.74 O ATOM 37 N PRO 161 -9.054 27.653 56.424 1.00161.64 N ATOM 38 CA PRO 161 -9.993 28.749 56.513 1.00161.64 C ATOM 39 CD PRO 161 -9.406 26.574 57.335 1.00161.64 C ATOM 40 CB PRO 161 -10.885 28.445 57.713 1.00161.64 C ATOM 41 CG PRO 161 -10.799 26.922 57.873 1.00161.64 C ATOM 42 C PRO 161 -9.367 30.112 56.642 1.00161.64 C ATOM 43 O PRO 161 -8.234 30.220 57.117 1.00161.64 O ATOM 44 N CYS 162 -10.099 31.174 56.246 1.00 41.58 N ATOM 45 CA CYS 162 -9.640 32.518 56.455 1.00 41.58 C ATOM 46 CB CYS 162 -9.988 33.499 55.319 1.00 41.58 C ATOM 47 SG CYS 162 -9.377 35.179 55.662 1.00 41.58 S ATOM 48 C CYS 162 -10.343 32.997 57.683 1.00 41.58 C ATOM 49 O CYS 162 -11.564 32.897 57.786 1.00 41.58 O ATOM 50 N GLN 163 -9.587 33.532 58.657 1.00 48.93 N ATOM 51 CA GLN 163 -10.214 33.922 59.886 1.00 48.93 C ATOM 52 CB GLN 163 -9.232 34.492 60.923 1.00 48.93 C ATOM 53 CG GLN 163 -8.250 33.456 61.472 1.00 48.93 C ATOM 54 CD GLN 163 -7.428 34.113 62.577 1.00 48.93 C ATOM 55 OE1 GLN 163 -7.704 33.944 63.763 1.00 48.93 O ATOM 56 NE2 GLN 163 -6.392 34.897 62.178 1.00 48.93 N ATOM 57 C GLN 163 -11.214 35.003 59.636 1.00 48.93 C ATOM 58 O GLN 163 -12.317 34.975 60.181 1.00 48.93 O ATOM 59 N GLN 164 -10.848 36.009 58.823 1.00137.14 N ATOM 60 CA GLN 164 -11.729 37.133 58.690 1.00137.14 C ATOM 61 CB GLN 164 -11.080 38.274 57.896 1.00137.14 C ATOM 62 CG GLN 164 -9.953 38.969 58.653 1.00137.14 C ATOM 63 CD GLN 164 -10.607 39.917 59.647 1.00137.14 C ATOM 64 OE1 GLN 164 -11.430 40.755 59.279 1.00137.14 O ATOM 65 NE2 GLN 164 -10.244 39.771 60.949 1.00137.14 N ATOM 66 C GLN 164 -13.009 36.815 57.981 1.00137.14 C ATOM 67 O GLN 164 -14.093 36.986 58.541 1.00137.14 O ATOM 68 N CYS 165 -12.904 36.370 56.713 1.00 60.53 N ATOM 69 CA CYS 165 -14.045 36.101 55.883 1.00 60.53 C ATOM 70 CB CYS 165 -13.707 36.186 54.386 1.00 60.53 C ATOM 71 SG CYS 165 -12.286 35.148 53.948 1.00 60.53 S ATOM 72 C CYS 165 -14.714 34.788 56.185 1.00 60.53 C ATOM 73 O CYS 165 -15.942 34.700 56.178 1.00 60.53 O ATOM 74 N GLY 166 -13.934 33.720 56.459 1.00 27.46 N ATOM 75 CA GLY 166 -14.522 32.430 56.718 1.00 27.46 C ATOM 76 C GLY 166 -14.451 31.575 55.481 1.00 27.46 C ATOM 77 O GLY 166 -14.908 30.433 55.480 1.00 27.46 O ATOM 78 N LYS 167 -13.877 32.107 54.386 1.00118.96 N ATOM 79 CA LYS 167 -13.741 31.357 53.167 1.00118.96 C ATOM 80 CB LYS 167 -13.266 32.238 51.997 1.00118.96 C ATOM 81 CG LYS 167 -13.003 31.482 50.698 1.00118.96 C ATOM 82 CD LYS 167 -14.259 30.967 50.004 1.00118.96 C ATOM 83 CE LYS 167 -13.940 30.081 48.802 1.00118.96 C ATOM 84 NZ LYS 167 -13.106 30.833 47.838 1.00118.96 N ATOM 85 C LYS 167 -12.704 30.293 53.380 1.00118.96 C ATOM 86 O LYS 167 -11.745 30.493 54.124 1.00118.96 O ATOM 87 N ARG 168 -12.873 29.116 52.737 1.00110.45 N ATOM 88 CA ARG 168 -11.906 28.061 52.903 1.00110.45 C ATOM 89 CB ARG 168 -12.508 26.736 53.401 1.00110.45 C ATOM 90 CG ARG 168 -13.002 26.817 54.848 1.00110.45 C ATOM 91 CD ARG 168 -13.638 25.525 55.374 1.00110.45 C ATOM 92 NE ARG 168 -12.576 24.695 56.009 1.00110.45 N ATOM 93 CZ ARG 168 -12.933 23.567 56.692 1.00110.45 C ATOM 94 NH1 ARG 168 -14.251 23.229 56.797 1.00110.45 N ATOM 95 NH2 ARG 168 -11.976 22.781 57.265 1.00110.45 N ATOM 96 C ARG 168 -11.225 27.819 51.587 1.00110.45 C ATOM 97 O ARG 168 -11.822 27.989 50.525 1.00110.45 O ATOM 98 N PHE 169 -9.934 27.415 51.634 1.00137.87 N ATOM 99 CA PHE 169 -9.152 27.258 50.436 1.00137.87 C ATOM 100 CB PHE 169 -7.983 28.256 50.374 1.00137.87 C ATOM 101 CG PHE 169 -8.563 29.630 50.327 1.00137.87 C ATOM 102 CD1 PHE 169 -8.920 30.268 51.495 1.00137.87 C ATOM 103 CD2 PHE 169 -8.767 30.270 49.126 1.00137.87 C ATOM 104 CE1 PHE 169 -9.462 31.531 51.463 1.00137.87 C ATOM 105 CE2 PHE 169 -9.307 31.534 49.089 1.00137.87 C ATOM 106 CZ PHE 169 -9.656 32.166 50.260 1.00137.87 C ATOM 107 C PHE 169 -8.541 25.892 50.402 1.00137.87 C ATOM 108 O PHE 169 -8.272 25.278 51.434 1.00137.87 O ATOM 109 N ARG 170 -8.329 25.379 49.173 1.00 75.35 N ATOM 110 CA ARG 170 -7.715 24.104 48.954 1.00 75.35 C ATOM 111 CB ARG 170 -7.716 23.684 47.470 1.00 75.35 C ATOM 112 CG ARG 170 -9.112 23.417 46.904 1.00 75.35 C ATOM 113 CD ARG 170 -9.128 23.015 45.426 1.00 75.35 C ATOM 114 NE ARG 170 -8.445 21.697 45.306 1.00 75.35 N ATOM 115 CZ ARG 170 -7.174 21.623 44.808 1.00 75.35 C ATOM 116 NH1 ARG 170 -6.561 22.748 44.336 1.00 75.35 N ATOM 117 NH2 ARG 170 -6.519 20.428 44.788 1.00 75.35 N ATOM 118 C ARG 170 -6.284 24.176 49.390 1.00 75.35 C ATOM 119 O ARG 170 -5.765 23.233 49.984 1.00 75.35 O ATOM 120 N GLN 171 -5.599 25.307 49.114 1.00 44.13 N ATOM 121 CA GLN 171 -4.196 25.333 49.419 1.00 44.13 C ATOM 122 CB GLN 171 -3.288 25.464 48.192 1.00 44.13 C ATOM 123 CG GLN 171 -3.333 24.261 47.255 1.00 44.13 C ATOM 124 CD GLN 171 -2.375 24.563 46.117 1.00 44.13 C ATOM 125 OE1 GLN 171 -1.491 25.408 46.237 1.00 44.13 O ATOM 126 NE2 GLN 171 -2.546 23.843 44.976 1.00 44.13 N ATOM 127 C GLN 171 -3.850 26.490 50.292 1.00 44.13 C ATOM 128 O GLN 171 -4.549 27.500 50.338 1.00 44.13 O ATOM 129 N ILE 172 -2.717 26.347 51.002 1.00115.04 N ATOM 130 CA ILE 172 -2.217 27.331 51.908 1.00115.04 C ATOM 131 CB ILE 172 -1.012 26.837 52.670 1.00115.04 C ATOM 132 CG1 ILE 172 -0.766 27.719 53.897 1.00115.04 C ATOM 133 CG2 ILE 172 0.192 26.745 51.722 1.00115.04 C ATOM 134 CD1 ILE 172 -1.815 27.516 54.989 1.00115.04 C ATOM 135 C ILE 172 -1.848 28.566 51.139 1.00115.04 C ATOM 136 O ILE 172 -2.138 29.679 51.574 1.00115.04 O ATOM 137 N GLN 173 -1.224 28.410 49.952 1.00 76.43 N ATOM 138 CA GLN 173 -0.765 29.563 49.238 1.00 76.43 C ATOM 139 CB GLN 173 -0.071 29.251 47.897 1.00 76.43 C ATOM 140 CG GLN 173 1.330 28.639 48.011 1.00 76.43 C ATOM 141 CD GLN 173 1.961 28.698 46.622 1.00 76.43 C ATOM 142 OE1 GLN 173 1.416 29.321 45.713 1.00 76.43 O ATOM 143 NE2 GLN 173 3.145 28.050 46.447 1.00 76.43 N ATOM 144 C GLN 173 -1.930 30.429 48.917 1.00 76.43 C ATOM 145 O GLN 173 -1.857 31.644 49.091 1.00 76.43 O ATOM 146 N ASN 174 -3.049 29.826 48.477 1.00 34.92 N ATOM 147 CA ASN 174 -4.179 30.608 48.080 1.00 34.92 C ATOM 148 CB ASN 174 -5.404 29.757 47.720 1.00 34.92 C ATOM 149 CG ASN 174 -5.055 28.876 46.534 1.00 34.92 C ATOM 150 OD1 ASN 174 -4.125 29.153 45.778 1.00 34.92 O ATOM 151 ND2 ASN 174 -5.830 27.771 46.372 1.00 34.92 N ATOM 152 C ASN 174 -4.590 31.424 49.252 1.00 34.92 C ATOM 153 O ASN 174 -4.845 32.620 49.121 1.00 34.92 O ATOM 154 N LEU 175 -4.650 30.792 50.438 1.00 36.40 N ATOM 155 CA LEU 175 -5.083 31.498 51.606 1.00 36.40 C ATOM 156 CB LEU 175 -4.967 30.665 52.892 1.00 36.40 C ATOM 157 CG LEU 175 -5.457 31.400 54.154 1.00 36.40 C ATOM 158 CD1 LEU 175 -6.967 31.684 54.087 1.00 36.40 C ATOM 159 CD2 LEU 175 -5.048 30.647 55.429 1.00 36.40 C ATOM 160 C LEU 175 -4.186 32.724 51.770 1.00 36.40 C ATOM 161 O LEU 175 -4.657 33.722 52.376 1.00 36.40 O ATOM 162 OXT LEU 175 -3.023 32.683 51.286 1.00 36.40 O