EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:52 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.4673 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1659.90796 REMARK 6 GA341 score: 0.77747 REMARK 6 Normalized DOPE score: -0.05552 REMARK 6 TEMPLATE: 1llmC01 101:C - 125:C MODELS 1: - 25: AT 44.0% ATOM 1 N GLU 250 2.895 34.277 63.448 1.00 83.02 N ATOM 2 CA GLU 250 1.833 35.286 63.642 1.00 83.02 C ATOM 3 CB GLU 250 0.827 34.803 64.697 1.00 83.02 C ATOM 4 CG GLU 250 -0.093 33.694 64.181 1.00 83.02 C ATOM 5 CD GLU 250 -1.042 34.335 63.177 1.00 83.02 C ATOM 6 OE1 GLU 250 -1.324 35.550 63.334 1.00 83.02 O ATOM 7 OE2 GLU 250 -1.499 33.620 62.242 1.00 83.02 O ATOM 8 C GLU 250 2.385 36.612 64.056 1.00 83.02 C ATOM 9 O GLU 250 3.261 37.161 63.391 1.00 83.02 O ATOM 10 N LYS 251 1.876 37.169 65.174 1.00113.62 N ATOM 11 CA LYS 251 2.343 38.468 65.567 1.00113.62 C ATOM 12 CB LYS 251 1.286 39.321 66.289 1.00113.62 C ATOM 13 CG LYS 251 0.145 39.781 65.386 1.00113.62 C ATOM 14 CD LYS 251 -0.783 38.654 64.932 1.00113.62 C ATOM 15 CE LYS 251 -1.913 39.144 64.028 1.00113.62 C ATOM 16 NZ LYS 251 -1.338 39.705 62.785 1.00113.62 N ATOM 17 C LYS 251 3.466 38.318 66.539 1.00113.62 C ATOM 18 O LYS 251 3.249 38.197 67.741 1.00113.62 O ATOM 19 N SER 252 4.707 38.343 66.019 1.00 88.66 N ATOM 20 CA SER 252 5.898 38.216 66.806 1.00 88.66 C ATOM 21 CB SER 252 7.131 37.852 65.964 1.00 88.66 C ATOM 22 OG SER 252 8.274 37.747 66.800 1.00 88.66 O ATOM 23 C SER 252 6.241 39.493 67.517 1.00 88.66 C ATOM 24 O SER 252 6.974 39.464 68.505 1.00 88.66 O ATOM 25 N PHE 253 5.734 40.657 67.053 1.00127.37 N ATOM 26 CA PHE 253 6.221 41.889 67.612 1.00127.37 C ATOM 27 CB PHE 253 6.460 42.945 66.522 1.00127.37 C ATOM 28 CG PHE 253 7.343 42.249 65.544 1.00127.37 C ATOM 29 CD1 PHE 253 8.703 42.202 65.730 1.00127.37 C ATOM 30 CD2 PHE 253 6.796 41.604 64.454 1.00127.37 C ATOM 31 CE1 PHE 253 9.508 41.540 64.833 1.00127.37 C ATOM 32 CE2 PHE 253 7.593 40.942 63.552 1.00127.37 C ATOM 33 CZ PHE 253 8.955 40.917 63.742 1.00127.37 C ATOM 34 C PHE 253 5.219 42.431 68.580 1.00127.37 C ATOM 35 O PHE 253 4.071 42.658 68.227 1.00127.37 O ATOM 36 N THR 254 5.660 42.689 69.834 1.00110.15 N ATOM 37 CA THR 254 4.726 43.111 70.841 1.00110.15 C ATOM 38 CB THR 254 4.757 42.256 72.074 0.50110.15 C ATOM 39 OG1 THR 254 6.026 42.375 72.702 1.00110.15 O ATOM 40 CG2 THR 254 4.499 40.791 71.688 1.00110.15 C ATOM 41 C THR 254 5.047 44.497 71.305 1.00110.15 C ATOM 42 O THR 254 6.207 44.879 71.444 1.00110.15 O ATOM 43 N CYS 255 3.981 45.284 71.566 1.00 41.07 N ATOM 44 CA CYS 255 4.110 46.613 72.080 1.00 41.07 C ATOM 45 CB CYS 255 2.849 47.470 71.853 1.00 41.07 C ATOM 46 SG CYS 255 3.008 49.160 72.503 1.00 41.07 S ATOM 47 C CYS 255 4.289 46.467 73.554 1.00 41.07 C ATOM 48 O CYS 255 3.510 45.792 74.226 1.00 41.07 O ATOM 49 N THR 256 5.343 47.098 74.091 1.00 38.88 N ATOM 50 CA THR 256 5.667 46.974 75.477 1.00 38.88 C ATOM 51 CB THR 256 6.934 47.712 75.800 1.00 38.88 C ATOM 52 OG1 THR 256 8.002 47.205 75.016 1.00 38.88 O ATOM 53 CG2 THR 256 7.245 47.564 77.298 1.00 38.88 C ATOM 54 C THR 256 4.572 47.563 76.304 1.00 38.88 C ATOM 55 O THR 256 4.192 46.993 77.328 1.00 38.88 O ATOM 56 N GLN 257 4.075 48.750 75.918 1.00 97.59 N ATOM 57 CA GLN 257 3.077 49.396 76.727 1.00 97.59 C ATOM 58 CB GLN 257 2.849 50.837 76.250 1.00 97.59 C ATOM 59 CG GLN 257 1.828 51.631 77.057 1.00 97.59 C ATOM 60 CD GLN 257 1.675 52.966 76.346 1.00 97.59 C ATOM 61 OE1 GLN 257 1.065 53.897 76.868 1.00 97.59 O ATOM 62 NE2 GLN 257 2.237 53.059 75.111 1.00 97.59 N ATOM 63 C GLN 257 1.749 48.698 76.670 1.00 97.59 C ATOM 64 O GLN 257 1.223 48.246 77.687 1.00 97.59 O ATOM 65 N CYS 258 1.188 48.591 75.450 1.00 95.59 N ATOM 66 CA CYS 258 -0.115 48.052 75.179 1.00 95.59 C ATOM 67 CB CYS 258 -0.522 48.341 73.726 1.00 95.59 C ATOM 68 SG CYS 258 -2.123 47.627 73.264 1.00 95.59 S ATOM 69 C CYS 258 -0.157 46.572 75.374 1.00 95.59 C ATOM 70 O CYS 258 -1.083 46.044 75.987 1.00 95.59 O ATOM 71 N GLY 259 0.859 45.857 74.860 1.00 23.37 N ATOM 72 CA GLY 259 0.854 44.430 74.962 1.00 23.37 C ATOM 73 C GLY 259 0.257 43.853 73.707 1.00 23.37 C ATOM 74 O GLY 259 0.146 42.637 73.578 1.00 23.37 O ATOM 75 N LYS 260 -0.147 44.711 72.745 1.00 66.42 N ATOM 76 CA LYS 260 -0.701 44.224 71.508 1.00 66.42 C ATOM 77 CB LYS 260 -1.413 45.303 70.669 1.00 66.42 C ATOM 78 CG LYS 260 -1.987 44.758 69.359 1.00 66.42 C ATOM 79 CD LYS 260 -2.910 45.733 68.628 1.00 66.42 C ATOM 80 CE LYS 260 -3.385 45.221 67.269 1.00 66.42 C ATOM 81 NZ LYS 260 -4.326 44.099 67.456 1.00 66.42 N ATOM 82 C LYS 260 0.414 43.678 70.672 1.00 66.42 C ATOM 83 O LYS 260 1.553 44.138 70.761 1.00 66.42 O ATOM 84 N THR 261 0.108 42.664 69.832 1.00110.87 N ATOM 85 CA THR 261 1.113 42.049 69.011 1.00110.87 C ATOM 86 CB THR 261 1.136 40.552 69.125 1.00110.87 C ATOM 87 OG1 THR 261 -0.108 40.007 68.705 1.00110.87 O ATOM 88 CG2 THR 261 1.409 40.174 70.591 1.00110.87 C ATOM 89 C THR 261 0.843 42.400 67.578 1.00110.87 C ATOM 90 O THR 261 -0.303 42.633 67.194 1.00110.87 O ATOM 91 N PHE 262 1.910 42.460 66.752 1.00 58.56 N ATOM 92 CA PHE 262 1.772 42.857 65.375 1.00 58.56 C ATOM 93 CB PHE 262 2.373 44.243 65.097 1.00 58.56 C ATOM 94 CG PHE 262 1.596 45.259 65.861 1.00 58.56 C ATOM 95 CD1 PHE 262 1.829 45.461 67.202 1.00 58.56 C ATOM 96 CD2 PHE 262 0.642 46.017 65.226 1.00 58.56 C ATOM 97 CE1 PHE 262 1.111 46.404 67.901 1.00 58.56 C ATOM 98 CE2 PHE 262 -0.077 46.958 65.919 1.00 58.56 C ATOM 99 CZ PHE 262 0.152 47.150 67.260 1.00 58.56 C ATOM 100 C PHE 262 2.518 41.900 64.492 1.00 58.56 C ATOM 101 O PHE 262 3.489 41.273 64.906 1.00 58.56 O ATOM 102 N SER 263 2.062 41.782 63.226 1.00 79.22 N ATOM 103 CA SER 263 2.644 40.912 62.244 1.00 79.22 C ATOM 104 CB SER 263 1.822 40.834 60.947 1.00 79.22 C ATOM 105 OG SER 263 2.482 39.994 60.015 1.00 79.22 O ATOM 106 C SER 263 4.019 41.387 61.863 1.00 79.22 C ATOM 107 O SER 263 4.874 40.578 61.511 1.00 79.22 O ATOM 108 N ARG 264 4.281 42.711 61.880 1.00127.79 N ATOM 109 CA ARG 264 5.620 43.084 61.518 1.00127.79 C ATOM 110 CB ARG 264 5.827 43.396 60.027 1.00127.79 C ATOM 111 CG ARG 264 5.031 44.571 59.475 1.00127.79 C ATOM 112 CD ARG 264 5.063 44.561 57.950 1.00127.79 C ATOM 113 NE ARG 264 4.744 45.925 57.458 1.00127.79 N ATOM 114 CZ ARG 264 4.362 46.079 56.158 1.00127.79 C ATOM 115 NH1 ARG 264 4.186 44.982 55.363 1.00127.79 N ATOM 116 NH2 ARG 264 4.146 47.326 55.653 1.00127.79 N ATOM 117 C ARG 264 6.085 44.247 62.343 1.00127.79 C ATOM 118 O ARG 264 5.298 45.009 62.887 1.00127.79 O ATOM 119 N SER 265 7.427 44.380 62.429 1.00 85.20 N ATOM 120 CA SER 265 8.086 45.358 63.248 1.00 85.20 C ATOM 121 CB SER 265 9.618 45.264 63.180 1.00 85.20 C ATOM 122 OG SER 265 10.058 44.016 63.683 1.00 85.20 O ATOM 123 C SER 265 7.755 46.747 62.815 1.00 85.20 C ATOM 124 O SER 265 7.575 47.628 63.661 1.00 85.20 O ATOM 125 N SER 266 7.672 47.001 61.501 1.00 25.63 N ATOM 126 CA SER 266 7.438 48.343 61.052 1.00 25.63 C ATOM 127 CB SER 266 7.370 48.464 59.521 1.00 25.63 C ATOM 128 OG SER 266 6.238 47.765 59.035 1.00 25.63 O ATOM 129 C SER 266 6.122 48.784 61.593 1.00 25.63 C ATOM 130 O SER 266 5.973 49.917 62.035 1.00 25.63 O ATOM 131 N ASN 267 5.132 47.874 61.593 1.00 46.97 N ATOM 132 CA ASN 267 3.823 48.197 62.075 1.00 46.97 C ATOM 133 CB ASN 267 2.848 47.013 61.970 1.00 46.97 C ATOM 134 CG ASN 267 2.588 46.744 60.499 1.00 46.97 C ATOM 135 OD1 ASN 267 2.141 45.661 60.122 1.00 46.97 O ATOM 136 ND2 ASN 267 2.877 47.755 59.639 1.00 46.97 N ATOM 137 C ASN 267 3.930 48.521 63.527 1.00 46.97 C ATOM 138 O ASN 267 3.258 49.423 64.023 1.00 46.97 O ATOM 139 N LEU 268 4.781 47.777 64.255 1.00 41.78 N ATOM 140 CA LEU 268 4.901 48.006 65.662 1.00 41.78 C ATOM 141 CB LEU 268 5.878 47.044 66.352 0.50 41.78 C ATOM 142 CG LEU 268 6.005 47.311 67.862 0.50 41.78 C ATOM 143 CD1 LEU 268 4.661 47.129 68.583 0.50 41.78 C ATOM 144 CD2 LEU 268 7.131 46.471 68.480 0.50 41.78 C ATOM 145 C LEU 268 5.406 49.392 65.896 1.00 41.78 C ATOM 146 O LEU 268 4.901 50.102 66.763 1.00 41.78 O ATOM 147 N TYR 269 6.408 49.833 65.114 1.00 49.90 N ATOM 148 CA TYR 269 6.964 51.132 65.365 1.00 49.90 C ATOM 149 CB TYR 269 8.204 51.461 64.520 1.00 49.90 C ATOM 150 CG TYR 269 9.296 50.640 65.101 1.00 49.90 C ATOM 151 CD1 TYR 269 9.988 51.106 66.197 1.00 49.90 C ATOM 152 CD2 TYR 269 9.614 49.408 64.581 1.00 49.90 C ATOM 153 CE1 TYR 269 10.994 50.358 66.756 1.00 49.90 C ATOM 154 CE2 TYR 269 10.622 48.657 65.139 1.00 49.90 C ATOM 155 CZ TYR 269 11.315 49.133 66.225 1.00 49.90 C ATOM 156 OH TYR 269 12.351 48.364 66.802 1.00 49.90 O ATOM 157 C TYR 269 5.949 52.212 65.167 1.00 49.90 C ATOM 158 O TYR 269 5.845 53.119 65.991 1.00 49.90 O ATOM 159 N LEU 270 5.154 52.152 64.084 1.00 77.22 N ATOM 160 CA LEU 270 4.195 53.201 63.886 1.00 77.22 C ATOM 161 CB LEU 270 3.383 53.066 62.586 1.00 77.22 C ATOM 162 CG LEU 270 4.181 53.382 61.307 1.00 77.22 C ATOM 163 CD1 LEU 270 5.331 52.397 61.092 1.00 77.22 C ATOM 164 CD2 LEU 270 3.262 53.488 60.082 1.00 77.22 C ATOM 165 C LEU 270 3.232 53.186 65.030 1.00 77.22 C ATOM 166 O LEU 270 2.849 54.234 65.545 1.00 77.22 O ATOM 167 N HIS 271 2.838 51.980 65.477 1.00 51.34 N ATOM 168 CA HIS 271 1.878 51.849 66.533 1.00 51.34 C ATOM 169 ND1 HIS 271 -0.770 50.366 67.831 1.00 51.34 N ATOM 170 CG HIS 271 0.589 50.189 67.983 1.00 51.34 C ATOM 171 CB HIS 271 1.593 50.376 66.885 1.00 51.34 C ATOM 172 NE2 HIS 271 -0.443 49.735 69.939 1.00 51.34 N ATOM 173 CD2 HIS 271 0.770 49.807 69.278 1.00 51.34 C ATOM 174 CE1 HIS 271 -1.337 50.080 69.031 1.00 51.34 C ATOM 175 C HIS 271 2.408 52.503 67.771 1.00 51.34 C ATOM 176 O HIS 271 1.682 53.207 68.468 1.00 51.34 O ATOM 177 N MET 272 3.708 52.324 68.061 1.00 53.53 N ATOM 178 CA MET 272 4.239 52.833 69.290 1.00 53.53 C ATOM 179 CB MET 272 5.735 52.554 69.460 1.00 53.53 C ATOM 180 CG MET 272 6.040 51.078 69.695 1.00 53.53 C ATOM 181 SD MET 272 7.807 50.733 69.908 1.00 53.53 S ATOM 182 CE MET 272 7.916 51.682 71.453 1.00 53.53 C ATOM 183 C MET 272 4.046 54.311 69.345 1.00 53.53 C ATOM 184 O MET 272 3.672 54.843 70.389 1.00 53.53 O ATOM 185 N ARG 273 4.290 55.021 68.229 1.00197.77 N ATOM 186 CA ARG 273 4.044 56.429 68.277 1.00197.77 C ATOM 187 CB ARG 273 4.603 57.182 67.055 1.00197.77 C ATOM 188 CG ARG 273 6.085 57.562 67.130 1.00197.77 C ATOM 189 CD ARG 273 6.592 58.145 65.808 1.00197.77 C ATOM 190 NE ARG 273 7.801 58.969 66.090 1.00197.77 N ATOM 191 CZ ARG 273 9.054 58.432 66.069 1.00197.77 C ATOM 192 NH1 ARG 273 9.231 57.108 65.776 1.00197.77 N ATOM 193 NH2 ARG 273 10.131 59.228 66.331 1.00197.77 N ATOM 194 C ARG 273 2.560 56.564 68.241 1.00197.77 C ATOM 195 O ARG 273 1.962 56.699 67.177 1.00197.77 O ATOM 196 N ILE 274 1.923 56.537 69.428 1.00115.07 N ATOM 197 CA ILE 274 0.498 56.613 69.470 1.00115.07 C ATOM 198 CB ILE 274 -0.128 55.380 70.058 1.00115.07 C ATOM 199 CG1 ILE 274 -1.627 55.321 69.733 1.00115.07 C ATOM 200 CG2 ILE 274 0.189 55.355 71.561 1.00115.07 C ATOM 201 CD1 ILE 274 -1.904 55.081 68.250 1.00115.07 C ATOM 202 C ILE 274 0.137 57.785 70.371 1.00115.07 C ATOM 203 O ILE 274 1.058 58.325 71.044 1.00115.07 O ATOM 204 OXT ILE 274 -1.068 58.157 70.405 1.00115.07 O