EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:33 REMARK 6 MODELLER OBJECTIVE FUNCTION: 86.7742 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 33.333 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1159.31287 REMARK 6 GA341 score: 0.94974 REMARK 6 Normalized DOPE score: -0.10337 REMARK 6 TEMPLATE: 1llmC01 101:C - 121:C MODELS 1: - 21: AT 33.3% ATOM 1 N ASP 241 -8.019 27.485 58.278 1.00 65.53 N ATOM 2 CA ASP 241 -7.530 28.075 57.010 1.00 65.53 C ATOM 3 CB ASP 241 -8.279 29.378 56.700 1.00 65.53 C ATOM 4 CG ASP 241 -7.892 29.776 55.288 1.00 65.53 C ATOM 5 OD1 ASP 241 -7.129 28.991 54.656 1.00 65.53 O ATOM 6 OD2 ASP 241 -8.344 30.849 54.815 1.00 65.53 O ATOM 7 C ASP 241 -6.090 28.403 57.161 1.00 65.53 C ATOM 8 O ASP 241 -5.239 27.872 56.448 1.00 65.53 O ATOM 9 N LYS 242 -5.798 29.322 58.098 1.00 74.04 N ATOM 10 CA LYS 242 -4.444 29.672 58.394 1.00 74.04 C ATOM 11 CB LYS 242 -4.242 31.185 58.583 1.00 74.04 C ATOM 12 CG LYS 242 -4.441 32.018 57.314 1.00 74.04 C ATOM 13 CD LYS 242 -4.612 33.511 57.610 1.00 74.04 C ATOM 14 CE LYS 242 -4.621 34.401 56.365 1.00 74.04 C ATOM 15 NZ LYS 242 -3.230 34.702 55.962 1.00 74.04 N ATOM 16 C LYS 242 -4.153 29.042 59.719 1.00 74.04 C ATOM 17 O LYS 242 -4.562 29.546 60.762 1.00 74.04 O ATOM 18 N PRO 243 -3.489 27.924 59.688 1.00 82.03 N ATOM 19 CA PRO 243 -3.137 27.229 60.894 1.00 82.03 C ATOM 20 CD PRO 243 -3.551 27.035 58.544 1.00 82.03 C ATOM 21 CB PRO 243 -2.883 25.776 60.492 1.00 82.03 C ATOM 22 CG PRO 243 -2.709 25.823 58.966 1.00 82.03 C ATOM 23 C PRO 243 -2.001 27.828 61.655 1.00 82.03 C ATOM 24 O PRO 243 -1.847 27.497 62.830 1.00 82.03 O ATOM 25 N PHE 244 -1.187 28.693 61.028 1.00 58.70 N ATOM 26 CA PHE 244 -0.038 29.171 61.732 1.00 58.70 C ATOM 27 CB PHE 244 1.228 29.202 60.863 1.00 58.70 C ATOM 28 CG PHE 244 1.592 27.774 60.632 1.00 58.70 C ATOM 29 CD1 PHE 244 1.029 27.049 59.605 1.00 58.70 C ATOM 30 CD2 PHE 244 2.497 27.157 61.467 1.00 58.70 C ATOM 31 CE1 PHE 244 1.373 25.730 59.412 1.00 58.70 C ATOM 32 CE2 PHE 244 2.841 25.839 61.279 1.00 58.70 C ATOM 33 CZ PHE 244 2.280 25.124 60.248 1.00 58.70 C ATOM 34 C PHE 244 -0.309 30.544 62.230 1.00 58.70 C ATOM 35 O PHE 244 -0.698 31.433 61.474 1.00 58.70 O ATOM 36 N THR 245 -0.089 30.744 63.541 1.00102.70 N ATOM 37 CA THR 245 -0.357 32.020 64.124 1.00102.70 C ATOM 38 CB THR 245 -1.402 31.963 65.202 0.50102.70 C ATOM 39 OG1 THR 245 -0.959 31.123 66.258 1.00102.70 O ATOM 40 CG2 THR 245 -2.714 31.419 64.610 1.00102.70 C ATOM 41 C THR 245 0.895 32.528 64.761 1.00102.70 C ATOM 42 O THR 245 1.698 31.761 65.295 1.00102.70 O ATOM 43 N CYS 246 1.089 33.862 64.699 1.00 44.56 N ATOM 44 CA CYS 246 2.208 34.489 65.339 1.00 44.56 C ATOM 45 CB CYS 246 2.439 35.942 64.886 1.00 44.56 C ATOM 46 SG CYS 246 3.859 36.711 65.720 1.00 44.56 S ATOM 47 C CYS 246 1.867 34.523 66.790 1.00 44.56 C ATOM 48 O CYS 246 0.751 34.877 67.166 1.00 44.56 O ATOM 49 N PRO 247 2.792 34.119 67.614 1.00113.29 N ATOM 50 CA PRO 247 2.500 34.065 69.016 1.00113.29 C ATOM 51 CD PRO 247 3.777 33.125 67.215 1.00113.29 C ATOM 52 CB PRO 247 3.665 33.300 69.644 1.00113.29 C ATOM 53 CG PRO 247 4.133 32.368 68.505 1.00113.29 C ATOM 54 C PRO 247 2.133 35.363 69.669 1.00113.29 C ATOM 55 O PRO 247 1.126 35.365 70.373 1.00113.29 O ATOM 56 N PRO 248 2.885 36.427 69.535 1.00160.65 N ATOM 57 CA PRO 248 2.449 37.663 70.129 1.00160.65 C ATOM 58 CD PRO 248 4.334 36.333 69.512 1.00160.65 C ATOM 59 CB PRO 248 3.702 38.516 70.332 1.00160.65 C ATOM 60 CG PRO 248 4.803 37.796 69.534 1.00160.65 C ATOM 61 C PRO 248 1.351 38.392 69.421 1.00160.65 C ATOM 62 O PRO 248 0.430 38.877 70.077 1.00160.65 O ATOM 63 N CYS 249 1.459 38.500 68.084 1.00 76.34 N ATOM 64 CA CYS 249 0.527 39.242 67.287 1.00 76.34 C ATOM 65 CB CYS 249 1.012 39.390 65.838 1.00 76.34 C ATOM 66 SG CYS 249 -0.151 40.327 64.809 1.00 76.34 S ATOM 67 C CYS 249 -0.788 38.543 67.255 1.00 76.34 C ATOM 68 O CYS 249 -1.841 39.158 67.410 1.00 76.34 O ATOM 69 N GLY 250 -0.761 37.214 67.056 1.00 20.24 N ATOM 70 CA GLY 250 -1.984 36.472 66.991 1.00 20.24 C ATOM 71 C GLY 250 -2.468 36.456 65.572 1.00 20.24 C ATOM 72 O GLY 250 -3.560 35.963 65.298 1.00 20.24 O ATOM 73 N LYS 251 -1.678 37.001 64.624 1.00 71.56 N ATOM 74 CA LYS 251 -2.096 36.987 63.249 1.00 71.56 C ATOM 75 CB LYS 251 -1.255 37.892 62.332 1.00 71.56 C ATOM 76 CG LYS 251 -1.858 38.061 60.936 1.00 71.56 C ATOM 77 CD LYS 251 -1.184 39.156 60.106 1.00 71.56 C ATOM 78 CE LYS 251 -1.248 40.543 60.746 1.00 71.56 C ATOM 79 NZ LYS 251 -0.488 41.508 59.919 1.00 71.56 N ATOM 80 C LYS 251 -1.938 35.585 62.750 1.00 71.56 C ATOM 81 O LYS 251 -1.037 34.867 63.179 1.00 71.56 O ATOM 82 N SER 252 -2.822 35.154 61.824 1.00 76.22 N ATOM 83 CA SER 252 -2.752 33.809 61.323 1.00 76.22 C ATOM 84 CB SER 252 -4.102 33.076 61.351 1.00 76.22 C ATOM 85 OG SER 252 -5.019 33.728 60.485 1.00 76.22 O ATOM 86 C SER 252 -2.317 33.867 59.896 1.00 76.22 C ATOM 87 O SER 252 -2.594 34.835 59.190 1.00 76.22 O ATOM 88 N PHE 253 -1.597 32.820 59.440 1.00 50.34 N ATOM 89 CA PHE 253 -1.134 32.810 58.084 1.00 50.34 C ATOM 90 CB PHE 253 0.369 33.101 57.935 1.00 50.34 C ATOM 91 CG PHE 253 0.602 34.498 58.403 1.00 50.34 C ATOM 92 CD1 PHE 253 0.792 34.752 59.743 1.00 50.34 C ATOM 93 CD2 PHE 253 0.625 35.555 57.518 1.00 50.34 C ATOM 94 CE1 PHE 253 1.005 36.033 60.193 1.00 50.34 C ATOM 95 CE2 PHE 253 0.840 36.838 57.964 1.00 50.34 C ATOM 96 CZ PHE 253 1.033 37.080 59.304 1.00 50.34 C ATOM 97 C PHE 253 -1.403 31.466 57.489 1.00 50.34 C ATOM 98 O PHE 253 -1.501 30.461 58.191 1.00 50.34 O ATOM 99 N THR 254 -1.547 31.455 56.149 1.00104.65 N ATOM 100 CA THR 254 -1.840 30.299 55.353 1.00104.65 C ATOM 101 CB THR 254 -2.052 30.644 53.905 1.00104.65 C ATOM 102 OG1 THR 254 -2.430 29.488 53.173 1.00104.65 O ATOM 103 CG2 THR 254 -0.757 31.242 53.329 1.00104.65 C ATOM 104 C THR 254 -0.706 29.324 55.404 1.00104.65 C ATOM 105 O THR 254 -0.928 28.115 55.458 1.00104.65 O ATOM 106 N GLN 255 0.549 29.808 55.375 1.00 89.55 N ATOM 107 CA GLN 255 1.614 28.853 55.319 1.00 89.55 C ATOM 108 CB GLN 255 2.305 28.832 53.946 1.00 89.55 C ATOM 109 CG GLN 255 3.295 27.684 53.746 1.00 89.55 C ATOM 110 CD GLN 255 3.622 27.620 52.257 1.00 89.55 C ATOM 111 OE1 GLN 255 4.605 27.005 51.845 1.00 89.55 O ATOM 112 NE2 GLN 255 2.769 28.269 51.420 1.00 89.55 N ATOM 113 C GLN 255 2.618 29.187 56.372 1.00 89.55 C ATOM 114 O GLN 255 2.798 30.343 56.749 1.00 89.55 O ATOM 115 N PRO 256 3.246 28.158 56.877 1.00 66.82 N ATOM 116 CA PRO 256 4.247 28.275 57.904 1.00 66.82 C ATOM 117 CD PRO 256 2.700 26.815 56.799 1.00 66.82 C ATOM 118 CB PRO 256 4.506 26.854 58.410 1.00 66.82 C ATOM 119 CG PRO 256 3.819 25.937 57.382 1.00 66.82 C ATOM 120 C PRO 256 5.489 28.980 57.469 1.00 66.82 C ATOM 121 O PRO 256 6.130 29.608 58.308 1.00 66.82 O ATOM 122 N GLN 257 5.871 28.873 56.185 1.00 32.67 N ATOM 123 CA GLN 257 7.061 29.544 55.755 1.00 32.67 C ATOM 124 CB GLN 257 7.421 29.273 54.282 1.00 32.67 C ATOM 125 CG GLN 257 7.807 27.820 53.998 1.00 32.67 C ATOM 126 CD GLN 257 8.144 27.683 52.520 1.00 32.67 C ATOM 127 OE1 GLN 257 8.610 26.634 52.080 1.00 32.67 O ATOM 128 NE2 GLN 257 7.918 28.770 51.730 1.00 32.67 N ATOM 129 C GLN 257 6.787 31.001 55.884 1.00 32.67 C ATOM 130 O GLN 257 7.645 31.787 56.284 1.00 32.67 O ATOM 131 N LEU 258 5.545 31.386 55.545 1.00 76.99 N ATOM 132 CA LEU 258 5.119 32.753 55.567 1.00 76.99 C ATOM 133 CB LEU 258 3.673 32.894 55.035 1.00 76.99 C ATOM 134 CG LEU 258 3.144 34.327 54.793 1.00 76.99 C ATOM 135 CD1 LEU 258 1.709 34.291 54.240 1.00 76.99 C ATOM 136 CD2 LEU 258 3.239 35.220 56.040 1.00 76.99 C ATOM 137 C LEU 258 5.174 33.217 56.987 1.00 76.99 C ATOM 138 O LEU 258 5.572 34.346 57.270 1.00 76.99 O ATOM 139 N LEU 259 4.776 32.343 57.928 1.00 36.87 N ATOM 140 CA LEU 259 4.743 32.732 59.306 1.00 36.87 C ATOM 141 CB LEU 259 4.128 31.666 60.226 0.50 36.87 C ATOM 142 CG LEU 259 4.098 32.103 61.697 0.50 36.87 C ATOM 143 CD1 LEU 259 3.226 33.356 61.886 0.50 36.87 C ATOM 144 CD2 LEU 259 3.674 30.940 62.603 0.50 36.87 C ATOM 145 C LEU 259 6.131 33.014 59.796 1.00 36.87 C ATOM 146 O LEU 259 6.344 33.971 60.538 1.00 36.87 O ATOM 147 N LYS 260 7.117 32.180 59.414 1.00 75.18 N ATOM 148 CA LYS 260 8.458 32.394 59.882 1.00 75.18 C ATOM 149 CB LYS 260 9.424 31.244 59.531 1.00 75.18 C ATOM 150 CG LYS 260 9.568 30.933 58.039 1.00 75.18 C ATOM 151 CD LYS 260 10.671 29.909 57.739 1.00 75.18 C ATOM 152 CE LYS 260 10.712 29.451 56.280 1.00 75.18 C ATOM 153 NZ LYS 260 11.726 28.384 56.102 1.00 75.18 N ATOM 154 C LYS 260 8.990 33.677 59.324 1.00 75.18 C ATOM 155 O LYS 260 9.671 34.427 60.021 1.00 75.18 O ATOM 156 N PHE 261 8.671 33.975 58.051 1.00 36.95 N ATOM 157 CA PHE 261 9.185 35.157 57.420 1.00 36.95 C ATOM 158 CB PHE 261 8.988 36.465 58.218 1.00 36.95 C ATOM 159 CG PHE 261 7.538 36.786 58.329 1.00 36.95 C ATOM 160 CD1 PHE 261 6.889 37.434 57.303 1.00 36.95 C ATOM 161 CD2 PHE 261 6.826 36.437 59.450 1.00 36.95 C ATOM 162 CE1 PHE 261 5.553 37.741 57.394 1.00 36.95 C ATOM 163 CE2 PHE 261 5.487 36.740 59.552 1.00 36.95 C ATOM 164 CZ PHE 261 4.848 37.388 58.521 1.00 36.95 C ATOM 165 C PHE 261 10.689 34.964 57.257 1.00 36.95 C ATOM 166 O PHE 261 11.090 33.927 56.664 1.00 36.95 O ATOM 167 OXT PHE 261 11.458 35.849 57.718 1.00 36.95 O