EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:20 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.7740 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1578.00842 REMARK 6 GA341 score: 0.95897 REMARK 6 Normalized DOPE score: -0.46495 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 203 -24.816 24.017 52.945 1.00 25.18 N ATOM 2 CA GLU 203 -23.652 23.132 52.734 1.00 25.18 C ATOM 3 CB GLU 203 -23.913 22.162 51.567 1.00 25.18 C ATOM 4 CG GLU 203 -22.792 21.149 51.314 1.00 25.18 C ATOM 5 CD GLU 203 -23.193 20.332 50.093 1.00 25.18 C ATOM 6 OE1 GLU 203 -24.278 20.630 49.525 1.00 25.18 O ATOM 7 OE2 GLU 203 -22.427 19.407 49.710 1.00 25.18 O ATOM 8 C GLU 203 -22.451 23.940 52.389 1.00 25.18 C ATOM 9 O GLU 203 -22.542 24.944 51.685 1.00 25.18 O ATOM 10 N LYS 204 -21.284 23.535 52.917 1.00108.80 N ATOM 11 CA LYS 204 -20.077 24.214 52.565 1.00108.80 C ATOM 12 CB LYS 204 -19.350 24.810 53.781 1.00108.80 C ATOM 13 CG LYS 204 -20.163 25.878 54.515 1.00108.80 C ATOM 14 CD LYS 204 -21.398 25.323 55.229 1.00108.80 C ATOM 15 CE LYS 204 -22.236 26.397 55.928 1.00108.80 C ATOM 16 NZ LYS 204 -22.902 27.248 54.918 1.00108.80 N ATOM 17 C LYS 204 -19.207 23.154 51.968 1.00108.80 C ATOM 18 O LYS 204 -18.658 22.302 52.661 1.00108.80 O ATOM 19 N PRO 205 -19.129 23.156 50.672 1.00102.18 N ATOM 20 CA PRO 205 -18.341 22.155 50.005 1.00102.18 C ATOM 21 CD PRO 205 -20.294 23.536 49.888 1.00102.18 C ATOM 22 CB PRO 205 -18.828 22.134 48.557 1.00102.18 C ATOM 23 CG PRO 205 -20.284 22.619 48.655 1.00102.18 C ATOM 24 C PRO 205 -16.856 22.301 50.114 1.00102.18 C ATOM 25 O PRO 205 -16.163 21.301 49.938 1.00102.18 O ATOM 26 N PHE 206 -16.326 23.506 50.397 1.00 55.68 N ATOM 27 CA PHE 206 -14.896 23.625 50.328 1.00 55.68 C ATOM 28 CB PHE 206 -14.446 24.874 49.558 1.00 55.68 C ATOM 29 CG PHE 206 -15.013 24.734 48.187 1.00 55.68 C ATOM 30 CD1 PHE 206 -14.401 23.935 47.250 1.00 55.68 C ATOM 31 CD2 PHE 206 -16.165 25.402 47.841 1.00 55.68 C ATOM 32 CE1 PHE 206 -14.929 23.808 45.987 1.00 55.68 C ATOM 33 CE2 PHE 206 -16.696 25.279 46.579 1.00 55.68 C ATOM 34 CZ PHE 206 -16.078 24.480 45.648 1.00 55.68 C ATOM 35 C PHE 206 -14.324 23.704 51.704 1.00 55.68 C ATOM 36 O PHE 206 -14.712 24.554 52.501 1.00 55.68 O ATOM 37 N THR 207 -13.350 22.819 52.007 1.00 95.07 N ATOM 38 CA THR 207 -12.778 22.816 53.322 1.00 95.07 C ATOM 39 CB THR 207 -12.885 21.488 54.018 1.00 95.07 C ATOM 40 OG1 THR 207 -12.509 21.612 55.381 1.00 95.07 O ATOM 41 CG2 THR 207 -11.975 20.472 53.306 1.00 95.07 C ATOM 42 C THR 207 -11.327 23.170 53.227 1.00 95.07 C ATOM 43 O THR 207 -10.629 22.759 52.300 1.00 95.07 O ATOM 44 N CYS 208 -10.852 23.979 54.197 1.00 40.90 N ATOM 45 CA CYS 208 -9.484 24.411 54.256 1.00 40.90 C ATOM 46 CB CYS 208 -9.281 25.594 55.224 1.00 40.90 C ATOM 47 SG CYS 208 -7.559 26.166 55.329 1.00 40.90 S ATOM 48 C CYS 208 -8.655 23.264 54.741 1.00 40.90 C ATOM 49 O CYS 208 -8.982 22.610 55.730 1.00 40.90 O ATOM 50 N THR 209 -7.538 22.998 54.041 1.00104.05 N ATOM 51 CA THR 209 -6.695 21.905 54.415 1.00104.05 C ATOM 52 CB THR 209 -5.572 21.685 53.442 1.00104.05 C ATOM 53 OG1 THR 209 -4.820 20.539 53.814 1.00104.05 O ATOM 54 CG2 THR 209 -4.670 22.931 53.395 1.00104.05 C ATOM 55 C THR 209 -6.095 22.171 55.757 1.00104.05 C ATOM 56 O THR 209 -5.986 21.268 56.586 1.00104.05 O ATOM 57 N GLN 210 -5.650 23.418 55.994 1.00 65.55 N ATOM 58 CA GLN 210 -4.965 23.703 57.219 1.00 65.55 C ATOM 59 CB GLN 210 -4.380 25.124 57.172 1.00 65.55 C ATOM 60 CG GLN 210 -3.617 25.564 58.420 1.00 65.55 C ATOM 61 CD GLN 210 -3.135 26.982 58.157 1.00 65.55 C ATOM 62 OE1 GLN 210 -3.816 27.768 57.500 1.00 65.55 O ATOM 63 NE2 GLN 210 -1.922 27.320 58.671 1.00 65.55 N ATOM 64 C GLN 210 -5.852 23.615 58.436 1.00 65.55 C ATOM 65 O GLN 210 -5.632 22.769 59.303 1.00 65.55 O ATOM 66 N CYS 211 -6.872 24.497 58.522 1.00 65.82 N ATOM 67 CA CYS 211 -7.754 24.584 59.662 1.00 65.82 C ATOM 68 CB CYS 211 -8.419 25.963 59.798 1.00 65.82 C ATOM 69 SG CYS 211 -9.359 26.444 58.321 1.00 65.82 S ATOM 70 C CYS 211 -8.831 23.541 59.680 1.00 65.82 C ATOM 71 O CYS 211 -9.167 23.002 60.733 1.00 65.82 O ATOM 72 N GLY 212 -9.415 23.226 58.509 1.00 25.71 N ATOM 73 CA GLY 212 -10.512 22.301 58.483 1.00 25.71 C ATOM 74 C GLY 212 -11.800 23.078 58.444 1.00 25.71 C ATOM 75 O GLY 212 -12.883 22.495 58.456 1.00 25.71 O ATOM 76 N LYS 213 -11.715 24.425 58.396 1.00 58.12 N ATOM 77 CA LYS 213 -12.884 25.266 58.344 1.00 58.12 C ATOM 78 CB LYS 213 -12.540 26.747 58.578 1.00 58.12 C ATOM 79 CG LYS 213 -13.734 27.691 58.737 1.00 58.12 C ATOM 80 CD LYS 213 -13.303 29.062 59.264 1.00 58.12 C ATOM 81 CE LYS 213 -14.436 30.073 59.432 1.00 58.12 C ATOM 82 NZ LYS 213 -13.896 31.336 59.984 1.00 58.12 N ATOM 83 C LYS 213 -13.482 25.127 56.976 1.00 58.12 C ATOM 84 O LYS 213 -12.762 24.965 55.992 1.00 58.12 O ATOM 85 N THR 214 -14.827 25.198 56.864 1.00 61.38 N ATOM 86 CA THR 214 -15.404 24.965 55.570 1.00 61.38 C ATOM 87 CB THR 214 -16.342 23.803 55.559 1.00 61.38 C ATOM 88 OG1 THR 214 -15.697 22.646 56.071 1.00 61.38 O ATOM 89 CG2 THR 214 -16.706 23.556 54.098 1.00 61.38 C ATOM 90 C THR 214 -16.140 26.193 55.114 1.00 61.38 C ATOM 91 O THR 214 -16.609 26.987 55.928 1.00 61.38 O ATOM 92 N PHE 215 -16.252 26.376 53.776 1.00144.93 N ATOM 93 CA PHE 215 -16.848 27.569 53.235 1.00144.93 C ATOM 94 CB PHE 215 -15.812 28.510 52.594 1.00144.93 C ATOM 95 CG PHE 215 -14.928 29.027 53.678 1.00144.93 C ATOM 96 CD1 PHE 215 -13.847 28.290 54.102 1.00144.93 C ATOM 97 CD2 PHE 215 -15.187 30.236 54.284 1.00144.93 C ATOM 98 CE1 PHE 215 -13.026 28.754 55.101 1.00144.93 C ATOM 99 CE2 PHE 215 -14.368 30.706 55.285 1.00144.93 C ATOM 100 CZ PHE 215 -13.284 29.965 55.696 1.00144.93 C ATOM 101 C PHE 215 -17.828 27.222 52.156 1.00144.93 C ATOM 102 O PHE 215 -17.746 26.178 51.512 1.00144.93 O ATOM 103 N ASN 216 -18.815 28.122 51.969 1.00 98.58 N ATOM 104 CA ASN 216 -19.835 27.997 50.972 1.00 98.58 C ATOM 105 CB ASN 216 -20.980 29.004 51.172 1.00 98.58 C ATOM 106 CG ASN 216 -22.178 28.522 50.366 1.00 98.58 C ATOM 107 OD1 ASN 216 -22.162 28.528 49.137 1.00 98.58 O ATOM 108 ND2 ASN 216 -23.248 28.081 51.081 1.00 98.58 N ATOM 109 C ASN 216 -19.241 28.217 49.609 1.00 98.58 C ATOM 110 O ASN 216 -19.672 27.596 48.639 1.00 98.58 O ATOM 111 N TYR 217 -18.234 29.113 49.490 1.00 92.68 N ATOM 112 CA TYR 217 -17.702 29.415 48.186 1.00 92.68 C ATOM 113 CB TYR 217 -17.905 30.876 47.751 1.00 92.68 C ATOM 114 CG TYR 217 -19.362 31.099 47.547 1.00 92.68 C ATOM 115 CD1 TYR 217 -20.177 31.387 48.617 1.00 92.68 C ATOM 116 CD2 TYR 217 -19.909 31.023 46.288 1.00 92.68 C ATOM 117 CE1 TYR 217 -21.523 31.593 48.433 1.00 92.68 C ATOM 118 CE2 TYR 217 -21.254 31.228 46.099 1.00 92.68 C ATOM 119 CZ TYR 217 -22.062 31.515 47.172 1.00 92.68 C ATOM 120 OH TYR 217 -23.442 31.727 46.975 1.00 92.68 O ATOM 121 C TYR 217 -16.226 29.169 48.141 1.00 92.68 C ATOM 122 O TYR 217 -15.506 29.369 49.118 1.00 92.68 O ATOM 123 N SER 218 -15.745 28.725 46.961 1.00 66.81 N ATOM 124 CA SER 218 -14.360 28.412 46.741 1.00 66.81 C ATOM 125 CB SER 218 -14.099 27.791 45.357 1.00 66.81 C ATOM 126 OG SER 218 -12.715 27.509 45.202 1.00 66.81 O ATOM 127 C SER 218 -13.530 29.655 46.834 1.00 66.81 C ATOM 128 O SER 218 -12.441 29.634 47.406 1.00 66.81 O ATOM 129 N SER 219 -14.025 30.774 46.277 1.00 57.06 N ATOM 130 CA SER 219 -13.237 31.969 46.267 1.00 57.06 C ATOM 131 CB SER 219 -13.903 33.129 45.507 1.00 57.06 C ATOM 132 OG SER 219 -13.066 34.276 45.539 1.00 57.06 O ATOM 133 C SER 219 -13.032 32.415 47.678 1.00 57.06 C ATOM 134 O SER 219 -11.972 32.935 48.022 1.00 57.06 O ATOM 135 N HIS 220 -14.053 32.230 48.540 1.00 67.04 N ATOM 136 CA HIS 220 -13.930 32.679 49.895 1.00 67.04 C ATOM 137 ND1 HIS 220 -15.676 34.765 51.945 1.00 67.04 N ATOM 138 CG HIS 220 -15.171 33.482 51.920 1.00 67.04 C ATOM 139 CB HIS 220 -15.231 32.593 50.711 1.00 67.04 C ATOM 140 NE2 HIS 220 -14.782 34.393 53.948 1.00 67.04 N ATOM 141 CD2 HIS 220 -14.629 33.271 53.151 1.00 67.04 C ATOM 142 CE1 HIS 220 -15.416 35.262 53.180 1.00 67.04 C ATOM 143 C HIS 220 -12.890 31.853 50.582 1.00 67.04 C ATOM 144 O HIS 220 -12.132 32.362 51.405 1.00 67.04 O ATOM 145 N LEU 221 -12.831 30.545 50.266 1.00100.27 N ATOM 146 CA LEU 221 -11.875 29.691 50.908 1.00100.27 C ATOM 147 CB LEU 221 -11.999 28.223 50.453 1.00100.27 C ATOM 148 CG LEU 221 -11.005 27.236 51.106 1.00100.27 C ATOM 149 CD1 LEU 221 -9.565 27.420 50.606 1.00100.27 C ATOM 150 CD2 LEU 221 -11.106 27.302 52.637 1.00100.27 C ATOM 151 C LEU 221 -10.513 30.206 50.560 1.00100.27 C ATOM 152 O LEU 221 -9.628 30.273 51.412 1.00100.27 O ATOM 153 N TYR 222 -10.319 30.626 49.298 1.00136.74 N ATOM 154 CA TYR 222 -9.035 31.109 48.880 1.00136.74 C ATOM 155 CB TYR 222 -9.005 31.564 47.411 1.00136.74 C ATOM 156 CG TYR 222 -7.775 32.385 47.230 1.00136.74 C ATOM 157 CD1 TYR 222 -6.532 31.804 47.126 1.00136.74 C ATOM 158 CD2 TYR 222 -7.880 33.757 47.157 1.00136.74 C ATOM 159 CE1 TYR 222 -5.414 32.589 46.961 1.00136.74 C ATOM 160 CE2 TYR 222 -6.765 34.542 46.991 1.00136.74 C ATOM 161 CZ TYR 222 -5.528 33.957 46.894 1.00136.74 C ATOM 162 OH TYR 222 -4.382 34.762 46.724 1.00136.74 O ATOM 163 C TYR 222 -8.662 32.280 49.722 1.00136.74 C ATOM 164 O TYR 222 -7.528 32.382 50.189 1.00136.74 O ATOM 165 N GLU 223 -9.616 33.195 49.958 1.00 24.43 N ATOM 166 CA GLU 223 -9.313 34.360 50.735 1.00 24.43 C ATOM 167 CB GLU 223 -10.512 35.318 50.835 1.00 24.43 C ATOM 168 CG GLU 223 -10.861 35.948 49.485 1.00 24.43 C ATOM 169 CD GLU 223 -12.162 36.725 49.625 1.00 24.43 C ATOM 170 OE1 GLU 223 -12.660 36.857 50.774 1.00 24.43 O ATOM 171 OE2 GLU 223 -12.676 37.200 48.578 1.00 24.43 O ATOM 172 C GLU 223 -8.924 33.924 52.114 1.00 24.43 C ATOM 173 O GLU 223 -7.986 34.466 52.697 1.00 24.43 O ATOM 174 N HIS 224 -9.627 32.921 52.672 1.00 39.75 N ATOM 175 CA HIS 224 -9.317 32.468 53.998 1.00 39.75 C ATOM 176 ND1 HIS 224 -10.179 31.492 57.044 1.00 39.75 N ATOM 177 CG HIS 224 -9.885 30.850 55.862 1.00 39.75 C ATOM 178 CB HIS 224 -10.256 31.353 54.498 1.00 39.75 C ATOM 179 NE2 HIS 224 -9.075 29.640 57.587 1.00 39.75 N ATOM 180 CD2 HIS 224 -9.210 29.720 56.213 1.00 39.75 C ATOM 181 CE1 HIS 224 -9.672 30.726 58.044 1.00 39.75 C ATOM 182 C HIS 224 -7.926 31.925 54.021 1.00 39.75 C ATOM 183 O HIS 224 -7.148 32.240 54.921 1.00 39.75 O ATOM 184 N MET 225 -7.558 31.096 53.027 1.00 18.27 N ATOM 185 CA MET 225 -6.228 30.567 53.065 1.00 18.27 C ATOM 186 CB MET 225 -5.902 29.585 51.927 1.00 18.27 C ATOM 187 CG MET 225 -6.682 28.272 52.007 1.00 18.27 C ATOM 188 SD MET 225 -6.041 26.956 50.928 1.00 18.27 S ATOM 189 CE MET 225 -6.477 27.775 49.367 1.00 18.27 C ATOM 190 C MET 225 -5.261 31.737 52.956 1.00 18.27 C ATOM 191 O MET 225 -4.454 31.915 53.907 1.00 18.27 O ATOM 192 OXT MET 225 -5.306 32.461 51.925 1.00 18.27 O