EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 81.5374 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.455 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1052.26379 REMARK 6 GA341 score: 0.75688 REMARK 6 Normalized DOPE score: -0.04499 REMARK 6 TEMPLATE: 1llmC01 101:C - 122:C MODELS 1: - 22: AT 45.5% ATOM 1 N LYS 175 5.996 28.881 49.150 1.00 97.83 N ATOM 2 CA LYS 175 4.908 29.866 48.967 1.00 97.83 C ATOM 3 CB LYS 175 3.692 29.493 49.836 1.00 97.83 C ATOM 4 CG LYS 175 3.206 28.053 49.657 1.00 97.83 C ATOM 5 CD LYS 175 4.111 27.023 50.344 1.00 97.83 C ATOM 6 CE LYS 175 3.693 25.570 50.116 1.00 97.83 C ATOM 7 NZ LYS 175 4.592 24.662 50.863 1.00 97.83 N ATOM 8 C LYS 175 5.406 31.187 49.449 1.00 97.83 C ATOM 9 O LYS 175 6.609 31.398 49.595 1.00 97.83 O ATOM 10 N LYS 176 4.483 32.134 49.682 1.00144.65 N ATOM 11 CA LYS 176 4.875 33.397 50.228 1.00144.65 C ATOM 12 CB LYS 176 4.415 34.594 49.373 1.00144.65 C ATOM 13 CG LYS 176 2.910 34.632 49.092 1.00144.65 C ATOM 14 CD LYS 176 2.400 33.432 48.292 1.00144.65 C ATOM 15 CE LYS 176 0.892 33.439 48.054 1.00144.65 C ATOM 16 NZ LYS 176 0.508 32.255 47.252 1.00144.65 N ATOM 17 C LYS 176 4.226 33.477 51.574 1.00144.65 C ATOM 18 O LYS 176 3.066 33.851 51.716 1.00144.65 O ATOM 19 N PRO 177 4.953 33.053 52.561 1.00 92.74 N ATOM 20 CA PRO 177 4.444 33.073 53.904 1.00 92.74 C ATOM 21 CD PRO 177 5.897 31.970 52.353 1.00 92.74 C ATOM 22 CB PRO 177 5.214 31.992 54.668 1.00 92.74 C ATOM 23 CG PRO 177 6.407 31.643 53.761 1.00 92.74 C ATOM 24 C PRO 177 4.426 34.397 54.605 1.00 92.74 C ATOM 25 O PRO 177 3.704 34.511 55.594 1.00 92.74 O ATOM 26 N PHE 178 5.190 35.409 54.152 1.00 59.30 N ATOM 27 CA PHE 178 5.230 36.613 54.937 1.00 59.30 C ATOM 28 CB PHE 178 6.656 37.146 55.160 1.00 59.30 C ATOM 29 CG PHE 178 7.355 36.137 56.004 1.00 59.30 C ATOM 30 CD1 PHE 178 8.009 35.073 55.427 1.00 59.30 C ATOM 31 CD2 PHE 178 7.349 36.254 57.375 1.00 59.30 C ATOM 32 CE1 PHE 178 8.649 34.138 56.204 1.00 59.30 C ATOM 33 CE2 PHE 178 7.988 35.324 58.159 1.00 59.30 C ATOM 34 CZ PHE 178 8.639 34.266 57.572 1.00 59.30 C ATOM 35 C PHE 178 4.455 37.686 54.253 1.00 59.30 C ATOM 36 O PHE 178 4.716 38.011 53.099 1.00 59.30 O ATOM 37 N LYS 179 3.486 38.293 54.967 1.00 68.27 N ATOM 38 CA LYS 179 2.691 39.310 54.345 1.00 68.27 C ATOM 39 CB LYS 179 1.184 38.988 54.343 0.50 68.27 C ATOM 40 CG LYS 179 0.334 39.947 53.510 0.50 68.27 C ATOM 41 CD LYS 179 -1.043 39.371 53.169 0.50 68.27 C ATOM 42 CE LYS 179 -1.822 38.866 54.386 1.00 68.27 C ATOM 43 NZ LYS 179 -3.101 38.262 53.949 1.00 68.27 N ATOM 44 C LYS 179 2.888 40.591 55.082 1.00 68.27 C ATOM 45 O LYS 179 3.052 40.604 56.301 1.00 68.27 O ATOM 46 N CYS 180 2.897 41.718 54.344 1.00 85.48 N ATOM 47 CA CYS 180 3.053 42.979 55.001 1.00 85.48 C ATOM 48 CB CYS 180 3.839 44.024 54.190 1.00 85.48 C ATOM 49 SG CYS 180 2.900 44.596 52.750 1.00 85.48 S ATOM 50 C CYS 180 1.677 43.512 55.235 1.00 85.48 C ATOM 51 O CYS 180 0.798 43.423 54.379 1.00 85.48 O ATOM 52 N THR 181 1.461 44.062 56.441 1.00111.20 N ATOM 53 CA THR 181 0.179 44.563 56.838 1.00111.20 C ATOM 54 CB THR 181 0.124 44.976 58.281 1.00111.20 C ATOM 55 OG1 THR 181 1.019 46.052 58.523 1.00111.20 O ATOM 56 CG2 THR 181 0.479 43.766 59.161 1.00111.20 C ATOM 57 C THR 181 -0.198 45.765 56.031 1.00111.20 C ATOM 58 O THR 181 -1.374 45.958 55.717 1.00111.20 O ATOM 59 N LEU 182 0.778 46.639 55.719 1.00 60.96 N ATOM 60 CA LEU 182 0.442 47.856 55.036 1.00 60.96 C ATOM 61 CB LEU 182 1.682 48.741 54.840 1.00 60.96 C ATOM 62 CG LEU 182 2.437 49.041 56.148 1.00 60.96 C ATOM 63 CD1 LEU 182 3.670 49.926 55.902 1.00 60.96 C ATOM 64 CD2 LEU 182 1.498 49.614 57.217 1.00 60.96 C ATOM 65 C LEU 182 -0.089 47.574 53.660 1.00 60.96 C ATOM 66 O LEU 182 -1.246 47.855 53.357 1.00 60.96 O ATOM 67 N CYS 183 0.774 47.002 52.794 1.00 93.73 N ATOM 68 CA CYS 183 0.455 46.687 51.427 1.00 93.73 C ATOM 69 CB CYS 183 1.722 46.425 50.589 1.00 93.73 C ATOM 70 SG CYS 183 1.387 45.982 48.857 1.00 93.73 S ATOM 71 C CYS 183 -0.432 45.482 51.334 1.00 93.73 C ATOM 72 O CYS 183 -1.395 45.469 50.568 1.00 93.73 O ATOM 73 N GLY 184 -0.128 44.434 52.125 1.00 21.76 N ATOM 74 CA GLY 184 -0.890 43.221 52.067 1.00 21.76 C ATOM 75 C GLY 184 -0.226 42.281 51.106 1.00 21.76 C ATOM 76 O GLY 184 -0.702 41.168 50.887 1.00 21.76 O ATOM 77 N LYS 185 0.902 42.703 50.502 1.00 39.88 N ATOM 78 CA LYS 185 1.588 41.851 49.571 1.00 39.88 C ATOM 79 CB LYS 185 2.619 42.592 48.704 1.00 39.88 C ATOM 80 CG LYS 185 3.248 41.718 47.619 1.00 39.88 C ATOM 81 CD LYS 185 3.973 42.522 46.538 1.00 39.88 C ATOM 82 CE LYS 185 4.595 41.654 45.446 1.00 39.88 C ATOM 83 NZ LYS 185 5.094 42.512 44.351 1.00 39.88 N ATOM 84 C LYS 185 2.311 40.803 50.353 1.00 39.88 C ATOM 85 O LYS 185 2.687 41.025 51.503 1.00 39.88 O ATOM 86 N SER 186 2.516 39.613 49.746 1.00 78.13 N ATOM 87 CA SER 186 3.184 38.577 50.480 1.00 78.13 C ATOM 88 CB SER 186 2.398 37.269 50.572 1.00 78.13 C ATOM 89 OG SER 186 3.087 36.398 51.450 1.00 78.13 O ATOM 90 C SER 186 4.492 38.289 49.818 1.00 78.13 C ATOM 91 O SER 186 4.653 38.485 48.615 1.00 78.13 O ATOM 92 N PHE 187 5.477 37.810 50.606 1.00 59.59 N ATOM 93 CA PHE 187 6.792 37.613 50.068 1.00 59.59 C ATOM 94 CB PHE 187 7.809 38.646 50.592 1.00 59.59 C ATOM 95 CG PHE 187 7.392 40.010 50.146 1.00 59.59 C ATOM 96 CD1 PHE 187 6.452 40.725 50.854 1.00 59.59 C ATOM 97 CD2 PHE 187 7.946 40.585 49.024 1.00 59.59 C ATOM 98 CE1 PHE 187 6.065 41.983 50.451 1.00 59.59 C ATOM 99 CE2 PHE 187 7.565 41.842 48.613 1.00 59.59 C ATOM 100 CZ PHE 187 6.622 42.541 49.327 1.00 59.59 C ATOM 101 C PHE 187 7.305 36.261 50.456 1.00 59.59 C ATOM 102 O PHE 187 6.868 35.657 51.434 1.00 59.59 O ATOM 103 N SER 188 8.265 35.761 49.654 1.00 38.59 N ATOM 104 CA SER 188 8.889 34.480 49.827 1.00 38.59 C ATOM 105 CB SER 188 9.801 34.115 48.644 1.00 38.59 C ATOM 106 OG SER 188 10.875 35.040 48.554 1.00 38.59 O ATOM 107 C SER 188 9.734 34.463 51.070 1.00 38.59 C ATOM 108 O SER 188 9.834 33.429 51.730 1.00 38.59 O ATOM 109 N GLN 189 10.385 35.590 51.429 1.00 91.63 N ATOM 110 CA GLN 189 11.218 35.498 52.596 1.00 91.63 C ATOM 111 CB GLN 189 12.729 35.520 52.312 1.00 91.63 C ATOM 112 CG GLN 189 13.252 36.850 51.770 1.00 91.63 C ATOM 113 CD GLN 189 14.761 36.712 51.658 1.00 91.63 C ATOM 114 OE1 GLN 189 15.268 36.062 50.745 1.00 91.63 O ATOM 115 NE2 GLN 189 15.502 37.326 52.619 1.00 91.63 N ATOM 116 C GLN 189 10.935 36.634 53.528 1.00 91.63 C ATOM 117 O GLN 189 10.552 37.727 53.114 1.00 91.63 O ATOM 118 N SER 190 11.139 36.379 54.836 1.00 67.55 N ATOM 119 CA SER 190 10.892 37.333 55.880 1.00 67.55 C ATOM 120 CB SER 190 11.124 36.752 57.283 1.00 67.55 C ATOM 121 OG SER 190 10.920 37.759 58.263 1.00 67.55 O ATOM 122 C SER 190 11.799 38.520 55.749 1.00 67.55 C ATOM 123 O SER 190 11.373 39.652 55.965 1.00 67.55 O ATOM 124 N SER 191 13.078 38.299 55.391 1.00 65.13 N ATOM 125 CA SER 191 14.002 39.395 55.314 1.00 65.13 C ATOM 126 CB SER 191 15.439 38.954 54.982 1.00 65.13 C ATOM 127 OG SER 191 15.996 38.240 56.075 1.00 65.13 O ATOM 128 C SER 191 13.560 40.336 54.245 1.00 65.13 C ATOM 129 O SER 191 13.640 41.553 54.413 1.00 65.13 O ATOM 130 N SER 192 13.075 39.794 53.111 1.00 63.45 N ATOM 131 CA SER 192 12.663 40.643 52.030 1.00 63.45 C ATOM 132 CB SER 192 12.277 39.872 50.757 1.00 63.45 C ATOM 133 OG SER 192 11.104 39.106 50.981 1.00 63.45 O ATOM 134 C SER 192 11.471 41.429 52.468 1.00 63.45 C ATOM 135 O SER 192 11.306 42.584 52.079 1.00 63.45 O ATOM 136 N LEU 193 10.601 40.828 53.299 1.00 95.40 N ATOM 137 CA LEU 193 9.429 41.539 53.721 1.00 95.40 C ATOM 138 CB LEU 193 8.503 40.692 54.618 0.50 95.40 C ATOM 139 CG LEU 193 7.133 41.332 54.956 0.50 95.40 C ATOM 140 CD1 LEU 193 7.252 42.605 55.808 0.50 95.40 C ATOM 141 CD2 LEU 193 6.298 41.551 53.686 0.50 95.40 C ATOM 142 C LEU 193 9.888 42.723 54.511 1.00 95.40 C ATOM 143 O LEU 193 9.393 43.835 54.334 1.00 95.40 O ATOM 144 N ASN 194 10.879 42.523 55.394 1.00 24.78 N ATOM 145 CA ASN 194 11.316 43.605 56.225 1.00 24.78 C ATOM 146 CB ASN 194 12.424 43.195 57.210 1.00 24.78 C ATOM 147 CG ASN 194 11.800 42.266 58.244 1.00 24.78 C ATOM 148 OD1 ASN 194 10.760 42.573 58.822 1.00 24.78 O ATOM 149 ND2 ASN 194 12.447 41.094 58.483 1.00 24.78 N ATOM 150 C ASN 194 11.858 44.693 55.357 1.00 24.78 C ATOM 151 O ASN 194 11.553 45.869 55.561 1.00 24.78 O ATOM 152 N GLN 195 12.661 44.325 54.344 1.00 70.90 N ATOM 153 CA GLN 195 13.270 45.312 53.503 1.00 70.90 C ATOM 154 CB GLN 195 14.205 44.684 52.458 1.00 70.90 C ATOM 155 CG GLN 195 15.340 43.889 53.110 1.00 70.90 C ATOM 156 CD GLN 195 15.989 44.790 54.150 1.00 70.90 C ATOM 157 OE1 GLN 195 16.069 46.005 53.977 1.00 70.90 O ATOM 158 NE2 GLN 195 16.452 44.183 55.277 1.00 70.90 N ATOM 159 C GLN 195 12.178 46.039 52.798 1.00 70.90 C ATOM 160 O GLN 195 12.215 47.264 52.673 1.00 70.90 O ATOM 161 N HIS 196 11.163 45.290 52.330 1.00 28.31 N ATOM 162 CA HIS 196 10.047 45.893 51.666 1.00 28.31 C ATOM 163 ND1 HIS 196 7.649 45.795 49.345 1.00 28.31 N ATOM 164 CG HIS 196 7.733 45.548 50.697 1.00 28.31 C ATOM 165 CB HIS 196 8.907 44.904 51.367 1.00 28.31 C ATOM 166 NE2 HIS 196 5.755 46.536 50.246 1.00 28.31 N ATOM 167 CD2 HIS 196 6.569 46.006 51.232 1.00 28.31 C ATOM 168 CE1 HIS 196 6.447 46.386 49.131 1.00 28.31 C ATOM 169 C HIS 196 9.488 46.966 52.590 1.00 28.31 C ATOM 170 O HIS 196 9.023 48.007 52.055 1.00 28.31 O ATOM 171 OXT HIS 196 9.513 46.765 53.833 1.00 28.31 O