EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.5366 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1002.93323 REMARK 6 GA341 score: 0.76945 REMARK 6 Normalized DOPE score: -0.49154 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 55.0% ATOM 1 N GLU 163 -20.144 23.391 56.320 1.00 98.20 N ATOM 2 CA GLU 163 -21.343 23.691 55.495 1.00 98.20 C ATOM 3 CB GLU 163 -22.630 23.278 56.229 1.00 98.20 C ATOM 4 CG GLU 163 -22.741 21.771 56.433 1.00 98.20 C ATOM 5 CD GLU 163 -22.919 21.149 55.061 1.00 98.20 C ATOM 6 OE1 GLU 163 -23.210 21.919 54.109 1.00 98.20 O ATOM 7 OE2 GLU 163 -22.764 19.903 54.943 1.00 98.20 O ATOM 8 C GLU 163 -21.439 25.154 55.213 1.00 98.20 C ATOM 9 O GLU 163 -20.902 25.974 55.953 1.00 98.20 O ATOM 10 N LYS 164 -22.115 25.528 54.110 1.00 95.00 N ATOM 11 CA LYS 164 -22.242 26.931 53.841 1.00 95.00 C ATOM 12 CB LYS 164 -21.817 27.330 52.413 1.00 95.00 C ATOM 13 CG LYS 164 -20.397 26.913 52.005 1.00 95.00 C ATOM 14 CD LYS 164 -20.267 25.434 51.630 1.00 95.00 C ATOM 15 CE LYS 164 -18.959 25.070 50.922 1.00 95.00 C ATOM 16 NZ LYS 164 -19.074 23.728 50.303 1.00 95.00 N ATOM 17 C LYS 164 -23.698 27.266 53.944 1.00 95.00 C ATOM 18 O LYS 164 -24.458 27.083 52.994 1.00 95.00 O ATOM 19 N PRO 165 -24.106 27.735 55.087 1.00111.10 N ATOM 20 CA PRO 165 -25.484 28.095 55.276 1.00111.10 C ATOM 21 CD PRO 165 -23.527 27.204 56.311 1.00111.10 C ATOM 22 CB PRO 165 -25.683 28.196 56.784 1.00111.10 C ATOM 23 CG PRO 165 -24.657 27.203 57.351 1.00111.10 C ATOM 24 C PRO 165 -25.960 29.316 54.552 1.00111.10 C ATOM 25 O PRO 165 -27.167 29.444 54.352 1.00111.10 O ATOM 26 N PHE 166 -25.062 30.233 54.156 1.00 61.45 N ATOM 27 CA PHE 166 -25.553 31.440 53.560 1.00 61.45 C ATOM 28 CB PHE 166 -24.752 32.664 54.025 1.00 61.45 C ATOM 29 CG PHE 166 -24.900 32.757 55.504 1.00 61.45 C ATOM 30 CD1 PHE 166 -26.010 33.359 56.039 1.00 61.45 C ATOM 31 CD2 PHE 166 -23.938 32.252 56.353 1.00 61.45 C ATOM 32 CE1 PHE 166 -26.160 33.452 57.401 1.00 61.45 C ATOM 33 CE2 PHE 166 -24.083 32.342 57.717 1.00 61.45 C ATOM 34 CZ PHE 166 -25.199 32.948 58.241 1.00 61.45 C ATOM 35 C PHE 166 -25.396 31.339 52.075 1.00 61.45 C ATOM 36 O PHE 166 -24.304 31.061 51.581 1.00 61.45 O ATOM 37 N SER 167 -26.491 31.580 51.319 1.00 32.61 N ATOM 38 CA SER 167 -26.400 31.481 49.888 1.00 32.61 C ATOM 39 CB SER 167 -27.381 30.464 49.281 1.00 32.61 C ATOM 40 OG SER 167 -27.118 29.171 49.802 1.00 32.61 O ATOM 41 C SER 167 -26.726 32.823 49.301 1.00 32.61 C ATOM 42 O SER 167 -27.621 33.524 49.771 1.00 32.61 O ATOM 43 N CYS 168 -25.968 33.229 48.262 1.00 39.26 N ATOM 44 CA CYS 168 -26.189 34.500 47.626 1.00 39.26 C ATOM 45 CB CYS 168 -24.969 35.027 46.856 1.00 39.26 C ATOM 46 SG CYS 168 -25.287 36.628 46.049 1.00 39.26 S ATOM 47 C CYS 168 -27.313 34.374 46.651 1.00 39.26 C ATOM 48 O CYS 168 -27.404 33.405 45.899 1.00 39.26 O ATOM 49 N LYS 169 -28.202 35.383 46.636 1.00 51.12 N ATOM 50 CA LYS 169 -29.337 35.336 45.767 1.00 51.12 C ATOM 51 CB LYS 169 -30.308 36.502 46.007 1.00 51.12 C ATOM 52 CG LYS 169 -30.976 36.405 47.376 1.00 51.12 C ATOM 53 CD LYS 169 -31.750 37.651 47.812 1.00 51.12 C ATOM 54 CE LYS 169 -32.583 37.387 49.072 1.00 51.12 C ATOM 55 NZ LYS 169 -33.387 38.578 49.435 1.00 51.12 N ATOM 56 C LYS 169 -28.914 35.374 44.326 1.00 51.12 C ATOM 57 O LYS 169 -29.403 34.587 43.517 1.00 51.12 O ATOM 58 N GLN 170 -28.004 36.293 43.947 1.00115.65 N ATOM 59 CA GLN 170 -27.692 36.385 42.547 1.00115.65 C ATOM 60 CB GLN 170 -26.846 37.617 42.180 1.00115.65 C ATOM 61 CG GLN 170 -27.576 38.957 42.262 1.00115.65 C ATOM 62 CD GLN 170 -26.639 40.019 41.696 1.00115.65 C ATOM 63 OE1 GLN 170 -26.943 41.211 41.731 1.00115.65 O ATOM 64 NE2 GLN 170 -25.471 39.585 41.153 1.00115.65 N ATOM 65 C GLN 170 -26.910 35.217 42.026 1.00115.65 C ATOM 66 O GLN 170 -27.329 34.551 41.079 1.00115.65 O ATOM 67 N CYS 171 -25.728 34.969 42.625 1.00 60.59 N ATOM 68 CA CYS 171 -24.810 33.963 42.157 1.00 60.59 C ATOM 69 CB CYS 171 -23.366 34.194 42.649 1.00 60.59 C ATOM 70 SG CYS 171 -23.210 34.246 44.461 1.00 60.59 S ATOM 71 C CYS 171 -25.219 32.567 42.519 1.00 60.59 C ATOM 72 O CYS 171 -25.091 31.651 41.709 1.00 60.59 O ATOM 73 N GLY 172 -25.731 32.359 43.747 1.00 24.11 N ATOM 74 CA GLY 172 -26.049 31.027 44.173 1.00 24.11 C ATOM 75 C GLY 172 -24.867 30.513 44.941 1.00 24.11 C ATOM 76 O GLY 172 -24.860 29.367 45.390 1.00 24.11 O ATOM 77 N LYS 173 -23.832 31.363 45.119 1.00 93.82 N ATOM 78 CA LYS 173 -22.635 30.975 45.814 1.00 93.82 C ATOM 79 CB LYS 173 -21.485 31.977 45.636 1.00 93.82 C ATOM 80 CG LYS 173 -20.175 31.503 46.258 1.00 93.82 C ATOM 81 CD LYS 173 -18.952 32.295 45.795 1.00 93.82 C ATOM 82 CE LYS 173 -18.774 32.288 44.278 1.00 93.82 C ATOM 83 NZ LYS 173 -17.480 32.908 43.917 1.00 93.82 N ATOM 84 C LYS 173 -22.936 30.862 47.279 1.00 93.82 C ATOM 85 O LYS 173 -23.780 31.587 47.809 1.00 93.82 O ATOM 86 N SER 174 -22.239 29.936 47.974 1.00 57.31 N ATOM 87 CA SER 174 -22.501 29.707 49.369 1.00 57.31 C ATOM 88 CB SER 174 -22.776 28.232 49.691 1.00 57.31 C ATOM 89 OG SER 174 -23.945 27.797 49.014 1.00 57.31 O ATOM 90 C SER 174 -21.311 30.123 50.183 1.00 57.31 C ATOM 91 O SER 174 -20.165 30.010 49.746 1.00 57.31 O ATOM 92 N PHE 175 -21.579 30.622 51.409 1.00138.88 N ATOM 93 CA PHE 175 -20.548 31.111 52.282 1.00138.88 C ATOM 94 CB PHE 175 -20.632 32.631 52.517 1.00138.88 C ATOM 95 CG PHE 175 -20.278 33.304 51.238 1.00138.88 C ATOM 96 CD1 PHE 175 -21.183 33.352 50.200 1.00138.88 C ATOM 97 CD2 PHE 175 -19.033 33.859 51.063 1.00138.88 C ATOM 98 CE1 PHE 175 -20.865 33.965 49.010 1.00138.88 C ATOM 99 CE2 PHE 175 -18.711 34.475 49.876 1.00138.88 C ATOM 100 CZ PHE 175 -19.622 34.526 48.847 1.00138.88 C ATOM 101 C PHE 175 -20.702 30.491 53.631 1.00138.88 C ATOM 102 O PHE 175 -21.803 30.175 54.077 1.00138.88 O ATOM 103 N CYS 176 -19.551 30.292 54.302 1.00 76.93 N ATOM 104 CA CYS 176 -19.505 29.748 55.624 1.00 76.93 C ATOM 105 CB CYS 176 -18.071 29.415 56.075 1.00 76.93 C ATOM 106 SG CYS 176 -16.990 30.876 56.105 1.00 76.93 S ATOM 107 C CYS 176 -20.096 30.729 56.593 1.00 76.93 C ATOM 108 O CYS 176 -20.794 30.328 57.523 1.00 76.93 O ATOM 109 N HIS 177 -19.846 32.046 56.416 1.00 73.69 N ATOM 110 CA HIS 177 -20.380 32.963 57.391 1.00 73.69 C ATOM 111 ND1 HIS 177 -17.011 32.647 58.514 1.00 73.69 N ATOM 112 CG HIS 177 -18.338 32.726 58.877 1.00 73.69 C ATOM 113 CB HIS 177 -19.315 33.673 58.243 1.00 73.69 C ATOM 114 NE2 HIS 177 -17.328 31.121 60.100 1.00 73.69 N ATOM 115 CD2 HIS 177 -18.515 31.787 59.847 1.00 73.69 C ATOM 116 CE1 HIS 177 -16.455 31.672 59.277 1.00 73.69 C ATOM 117 C HIS 177 -21.127 34.063 56.707 1.00 73.69 C ATOM 118 O HIS 177 -20.887 34.375 55.542 1.00 73.69 O ATOM 119 N LYS 178 -22.066 34.682 57.453 1.00 58.03 N ATOM 120 CA LYS 178 -22.872 35.761 56.957 1.00 58.03 C ATOM 121 CB LYS 178 -24.005 36.193 57.906 1.00 58.03 C ATOM 122 CG LYS 178 -25.043 37.043 57.167 1.00 58.03 C ATOM 123 CD LYS 178 -26.412 37.151 57.841 1.00 58.03 C ATOM 124 CE LYS 178 -27.515 37.528 56.845 1.00 58.03 C ATOM 125 NZ LYS 178 -28.796 37.734 57.556 1.00 58.03 N ATOM 126 C LYS 178 -22.027 36.969 56.682 1.00 58.03 C ATOM 127 O LYS 178 -22.266 37.664 55.695 1.00 58.03 O ATOM 128 N PRO 179 -21.048 37.274 57.490 1.00 72.11 N ATOM 129 CA PRO 179 -20.259 38.439 57.211 1.00 72.11 C ATOM 130 CD PRO 179 -21.066 36.985 58.914 1.00 72.11 C ATOM 131 CB PRO 179 -19.325 38.617 58.414 1.00 72.11 C ATOM 132 CG PRO 179 -19.660 37.431 59.348 1.00 72.11 C ATOM 133 C PRO 179 -19.589 38.307 55.886 1.00 72.11 C ATOM 134 O PRO 179 -19.322 39.324 55.242 1.00 72.11 O ATOM 135 N ASN 180 -19.281 37.067 55.472 1.00 39.96 N ATOM 136 CA ASN 180 -18.706 36.844 54.180 1.00 39.96 C ATOM 137 CB ASN 180 -18.304 35.377 53.958 1.00 39.96 C ATOM 138 CG ASN 180 -17.069 35.131 54.794 1.00 39.96 C ATOM 139 OD1 ASN 180 -16.142 35.938 54.791 1.00 39.96 O ATOM 140 ND2 ASN 180 -17.058 33.995 55.540 1.00 39.96 N ATOM 141 C ASN 180 -19.735 37.162 53.144 1.00 39.96 C ATOM 142 O ASN 180 -19.449 37.843 52.161 1.00 39.96 O ATOM 143 N LEU 181 -20.977 36.688 53.368 1.00102.25 N ATOM 144 CA LEU 181 -22.020 36.820 52.395 1.00102.25 C ATOM 145 CB LEU 181 -23.327 36.112 52.809 1.00102.25 C ATOM 146 CG LEU 181 -24.461 36.198 51.764 1.00102.25 C ATOM 147 CD1 LEU 181 -25.130 37.582 51.735 1.00102.25 C ATOM 148 CD2 LEU 181 -23.947 35.778 50.377 1.00102.25 C ATOM 149 C LEU 181 -22.300 38.268 52.162 1.00102.25 C ATOM 150 O LEU 181 -22.418 38.698 51.018 1.00102.25 O ATOM 151 N ASP 182 -22.394 39.075 53.234 1.00 58.03 N ATOM 152 CA ASP 182 -22.687 40.451 52.973 1.00 58.03 C ATOM 153 CB ASP 182 -22.848 41.319 54.228 1.00 58.03 C ATOM 154 CG ASP 182 -23.411 42.662 53.768 1.00 58.03 C ATOM 155 OD1 ASP 182 -23.758 42.789 52.561 1.00 58.03 O ATOM 156 OD2 ASP 182 -23.504 43.583 54.622 1.00 58.03 O ATOM 157 C ASP 182 -21.509 41.005 52.192 1.00 58.03 C ATOM 158 O ASP 182 -21.742 41.671 51.148 1.00 58.03 O ATOM 159 OXT ASP 182 -20.357 40.772 52.646 1.00 58.03 O