EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 105.6218 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.148 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1551.51318 REMARK 6 GA341 score: 0.99605 REMARK 6 Normalized DOPE score: -1.09405 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 48.1% ATOM 1 N ASP 175 -21.625 30.323 49.059 1.00 59.13 N ATOM 2 CA ASP 175 -20.865 31.596 49.053 1.00 59.13 C ATOM 3 CB ASP 175 -21.825 32.788 49.229 1.00 59.13 C ATOM 4 CG ASP 175 -21.130 34.084 48.834 1.00 59.13 C ATOM 5 OD1 ASP 175 -20.009 34.021 48.266 1.00 59.13 O ATOM 6 OD2 ASP 175 -21.730 35.164 49.092 1.00 59.13 O ATOM 7 C ASP 175 -19.901 31.593 50.193 1.00 59.13 C ATOM 8 O ASP 175 -19.839 30.634 50.961 1.00 59.13 O ATOM 9 N ASN 176 -19.095 32.665 50.318 1.00 45.34 N ATOM 10 CA ASN 176 -18.163 32.730 51.406 1.00 45.34 C ATOM 11 CB ASN 176 -16.716 32.936 50.933 1.00 45.34 C ATOM 12 CG ASN 176 -16.321 31.738 50.084 1.00 45.34 C ATOM 13 OD1 ASN 176 -16.572 30.589 50.446 1.00 45.34 O ATOM 14 ND2 ASN 176 -15.688 32.017 48.914 1.00 45.34 N ATOM 15 C ASN 176 -18.526 33.933 52.220 1.00 45.34 C ATOM 16 O ASN 176 -18.208 35.064 51.857 1.00 45.34 O ATOM 17 N PRO 177 -19.195 33.700 53.312 1.00102.67 N ATOM 18 CA PRO 177 -19.623 34.774 54.168 1.00102.67 C ATOM 19 CD PRO 177 -20.097 32.560 53.376 1.00102.67 C ATOM 20 CB PRO 177 -20.678 34.169 55.094 1.00102.67 C ATOM 21 CG PRO 177 -21.256 32.998 54.282 1.00102.67 C ATOM 22 C PRO 177 -18.538 35.487 54.919 1.00102.67 C ATOM 23 O PRO 177 -18.747 36.648 55.270 1.00102.67 O ATOM 24 N PHE 178 -17.378 34.855 55.185 1.00 59.36 N ATOM 25 CA PHE 178 -16.443 35.541 56.037 1.00 59.36 C ATOM 26 CB PHE 178 -15.850 34.650 57.137 1.00 59.36 C ATOM 27 CG PHE 178 -16.986 34.200 57.984 1.00 59.36 C ATOM 28 CD1 PHE 178 -17.405 34.955 59.055 1.00 59.36 C ATOM 29 CD2 PHE 178 -17.642 33.029 57.691 1.00 59.36 C ATOM 30 CE1 PHE 178 -18.456 34.539 59.837 1.00 59.36 C ATOM 31 CE2 PHE 178 -18.692 32.606 58.468 1.00 59.36 C ATOM 32 CZ PHE 178 -19.100 33.363 59.540 1.00 59.36 C ATOM 33 C PHE 178 -15.295 36.062 55.236 1.00 59.36 C ATOM 34 O PHE 178 -14.628 35.313 54.525 1.00 59.36 O ATOM 35 N ARG 179 -15.015 37.376 55.367 1.00145.67 N ATOM 36 CA ARG 179 -13.942 37.954 54.612 1.00145.67 C ATOM 37 CB ARG 179 -14.350 39.183 53.784 1.00145.67 C ATOM 38 CG ARG 179 -14.866 40.341 54.636 1.00145.67 C ATOM 39 CD ARG 179 -16.276 40.796 54.265 1.00145.67 C ATOM 40 NE ARG 179 -16.201 41.425 52.916 1.00145.67 N ATOM 41 CZ ARG 179 -17.165 42.310 52.527 1.00145.67 C ATOM 42 NH1 ARG 179 -18.187 42.612 53.379 1.00145.67 N ATOM 43 NH2 ARG 179 -17.110 42.895 51.296 1.00145.67 N ATOM 44 C ARG 179 -12.868 38.405 55.553 1.00145.67 C ATOM 45 O ARG 179 -13.137 38.892 56.652 1.00145.67 O ATOM 46 N CYS 180 -11.603 38.223 55.125 1.00 46.42 N ATOM 47 CA CYS 180 -10.455 38.616 55.894 1.00 46.42 C ATOM 48 CB CYS 180 -9.164 37.913 55.429 1.00 46.42 C ATOM 49 SG CYS 180 -7.692 38.387 56.384 1.00 46.42 S ATOM 50 C CYS 180 -10.269 40.096 55.745 1.00 46.42 C ATOM 51 O CYS 180 -10.315 40.641 54.642 1.00 46.42 O ATOM 52 N THR 181 -10.036 40.788 56.874 1.00103.95 N ATOM 53 CA THR 181 -9.869 42.211 56.858 1.00103.95 C ATOM 54 CB THR 181 -9.749 42.783 58.242 1.00103.95 C ATOM 55 OG1 THR 181 -9.623 44.196 58.181 1.00103.95 O ATOM 56 CG2 THR 181 -8.526 42.164 58.940 1.00103.95 C ATOM 57 C THR 181 -8.627 42.564 56.095 1.00103.95 C ATOM 58 O THR 181 -8.622 43.525 55.325 1.00103.95 O ATOM 59 N HIS 182 -7.529 41.813 56.317 1.00 93.57 N ATOM 60 CA HIS 182 -6.275 42.126 55.684 1.00 93.57 C ATOM 61 ND1 HIS 182 -2.975 42.598 55.871 1.00 93.57 N ATOM 62 CG HIS 182 -3.814 41.559 55.538 1.00 93.57 C ATOM 63 CB HIS 182 -5.119 41.262 56.216 1.00 93.57 C ATOM 64 NE2 HIS 182 -2.013 41.523 54.179 1.00 93.57 N ATOM 65 CD2 HIS 182 -3.211 40.913 54.502 1.00 93.57 C ATOM 66 CE1 HIS 182 -1.913 42.530 55.028 1.00 93.57 C ATOM 67 C HIS 182 -6.286 41.950 54.191 1.00 93.57 C ATOM 68 O HIS 182 -6.101 42.920 53.457 1.00 93.57 O ATOM 69 N CYS 183 -6.462 40.692 53.722 1.00121.60 N ATOM 70 CA CYS 183 -6.431 40.319 52.323 1.00121.60 C ATOM 71 CB CYS 183 -6.432 38.801 52.089 1.00121.60 C ATOM 72 SG CYS 183 -4.951 37.943 52.651 1.00121.60 S ATOM 73 C CYS 183 -7.663 40.723 51.593 1.00121.60 C ATOM 74 O CYS 183 -7.607 41.266 50.491 1.00121.60 O ATOM 75 N GLY 184 -8.828 40.439 52.200 1.00 31.18 N ATOM 76 CA GLY 184 -10.067 40.619 51.509 1.00 31.18 C ATOM 77 C GLY 184 -10.484 39.273 50.981 1.00 31.18 C ATOM 78 O GLY 184 -11.484 39.165 50.274 1.00 31.18 O ATOM 79 N LYS 185 -9.719 38.205 51.306 1.00 84.40 N ATOM 80 CA LYS 185 -10.056 36.881 50.850 1.00 84.40 C ATOM 81 CB LYS 185 -8.911 35.865 51.018 1.00 84.40 C ATOM 82 CG LYS 185 -9.161 34.534 50.303 1.00 84.40 C ATOM 83 CD LYS 185 -7.908 33.663 50.179 1.00 84.40 C ATOM 84 CE LYS 185 -8.152 32.341 49.447 1.00 84.40 C ATOM 85 NZ LYS 185 -8.412 32.602 48.014 1.00 84.40 N ATOM 86 C LYS 185 -11.239 36.399 51.637 1.00 84.40 C ATOM 87 O LYS 185 -11.364 36.690 52.827 1.00 84.40 O ATOM 88 N SER 186 -12.144 35.633 50.985 1.00 55.46 N ATOM 89 CA SER 186 -13.346 35.199 51.649 1.00 55.46 C ATOM 90 CB SER 186 -14.631 35.560 50.884 1.00 55.46 C ATOM 91 OG SER 186 -14.817 36.969 50.883 1.00 55.46 O ATOM 92 C SER 186 -13.318 33.711 51.842 1.00 55.46 C ATOM 93 O SER 186 -12.700 32.979 51.071 1.00 55.46 O ATOM 94 N PHE 187 -14.001 33.230 52.907 1.00142.85 N ATOM 95 CA PHE 187 -13.983 31.829 53.234 1.00142.85 C ATOM 96 CB PHE 187 -13.158 31.527 54.498 1.00142.85 C ATOM 97 CG PHE 187 -11.727 31.819 54.198 1.00142.85 C ATOM 98 CD1 PHE 187 -11.221 33.089 54.359 1.00142.85 C ATOM 99 CD2 PHE 187 -10.894 30.823 53.745 1.00142.85 C ATOM 100 CE1 PHE 187 -9.902 33.358 54.078 1.00142.85 C ATOM 101 CE2 PHE 187 -9.573 31.084 53.464 1.00142.85 C ATOM 102 CZ PHE 187 -9.076 32.354 53.632 1.00142.85 C ATOM 103 C PHE 187 -15.373 31.350 53.511 1.00142.85 C ATOM 104 O PHE 187 -16.256 32.110 53.908 1.00142.85 O ATOM 105 N SER 188 -15.592 30.041 53.278 1.00 35.64 N ATOM 106 CA SER 188 -16.854 29.404 53.502 1.00 35.64 C ATOM 107 CB SER 188 -16.903 27.972 52.946 1.00 35.64 C ATOM 108 OG SER 188 -15.973 27.149 53.634 1.00 35.64 O ATOM 109 C SER 188 -17.117 29.305 54.975 1.00 35.64 C ATOM 110 O SER 188 -18.267 29.381 55.405 1.00 35.64 O ATOM 111 N GLN 189 -16.064 29.125 55.799 1.00 38.73 N ATOM 112 CA GLN 189 -16.341 28.929 57.195 1.00 38.73 C ATOM 113 CB GLN 189 -16.053 27.498 57.680 1.00 38.73 C ATOM 114 CG GLN 189 -16.951 26.450 57.021 1.00 38.73 C ATOM 115 CD GLN 189 -16.580 25.080 57.575 1.00 38.73 C ATOM 116 OE1 GLN 189 -16.048 24.957 58.675 1.00 38.73 O ATOM 117 NE2 GLN 189 -16.872 24.012 56.783 1.00 38.73 N ATOM 118 C GLN 189 -15.527 29.864 58.034 1.00 38.73 C ATOM 119 O GLN 189 -14.416 30.258 57.682 1.00 38.73 O ATOM 120 N SER 190 -16.100 30.226 59.200 1.00 68.92 N ATOM 121 CA SER 190 -15.516 31.148 60.130 1.00 68.92 C ATOM 122 CB SER 190 -16.436 31.435 61.330 1.00 68.92 C ATOM 123 OG SER 190 -16.673 30.242 62.061 1.00 68.92 O ATOM 124 C SER 190 -14.242 30.591 60.676 1.00 68.92 C ATOM 125 O SER 190 -13.258 31.314 60.820 1.00 68.92 O ATOM 126 N SER 191 -14.221 29.284 60.990 1.00 21.80 N ATOM 127 CA SER 191 -13.057 28.696 61.590 1.00 21.80 C ATOM 128 CB SER 191 -13.257 27.213 61.951 1.00 21.80 C ATOM 129 OG SER 191 -13.444 26.441 60.774 1.00 21.80 O ATOM 130 C SER 191 -11.914 28.778 60.633 1.00 21.80 C ATOM 131 O SER 191 -10.777 29.029 61.030 1.00 21.80 O ATOM 132 N SER 192 -12.190 28.570 59.334 1.00 62.68 N ATOM 133 CA SER 192 -11.140 28.574 58.358 1.00 62.68 C ATOM 134 CB SER 192 -11.627 28.180 56.954 1.00 62.68 C ATOM 135 OG SER 192 -10.542 28.205 56.037 1.00 62.68 O ATOM 136 C SER 192 -10.557 29.949 58.259 1.00 62.68 C ATOM 137 O SER 192 -9.346 30.108 58.113 1.00 62.68 O ATOM 138 N LEU 193 -11.409 30.988 58.332 1.00106.46 N ATOM 139 CA LEU 193 -10.935 32.336 58.197 1.00106.46 C ATOM 140 CB LEU 193 -12.088 33.360 58.232 1.00106.46 C ATOM 141 CG LEU 193 -11.752 34.793 57.761 1.00106.46 C ATOM 142 CD1 LEU 193 -12.932 35.730 58.044 1.00106.46 C ATOM 143 CD2 LEU 193 -10.424 35.333 58.309 1.00106.46 C ATOM 144 C LEU 193 -10.030 32.611 59.359 1.00106.46 C ATOM 145 O LEU 193 -8.960 33.199 59.207 1.00106.46 O ATOM 146 N ASN 194 -10.423 32.148 60.560 1.00 64.90 N ATOM 147 CA ASN 194 -9.663 32.437 61.741 1.00 64.90 C ATOM 148 CB ASN 194 -10.286 31.856 63.020 1.00 64.90 C ATOM 149 CG ASN 194 -9.653 32.584 64.197 1.00 64.90 C ATOM 150 OD1 ASN 194 -8.431 32.644 64.321 1.00 64.90 O ATOM 151 ND2 ASN 194 -10.506 33.173 65.078 1.00 64.90 N ATOM 152 C ASN 194 -8.284 31.875 61.590 1.00 64.90 C ATOM 153 O ASN 194 -7.310 32.503 62.001 1.00 64.90 O ATOM 154 N GLN 195 -8.162 30.670 61.000 1.00 36.46 N ATOM 155 CA GLN 195 -6.876 30.055 60.821 1.00 36.46 C ATOM 156 CB GLN 195 -6.978 28.663 60.183 1.00 36.46 C ATOM 157 CG GLN 195 -5.623 27.988 59.969 1.00 36.46 C ATOM 158 CD GLN 195 -5.873 26.706 59.193 1.00 36.46 C ATOM 159 OE1 GLN 195 -4.949 26.108 58.643 1.00 36.46 O ATOM 160 NE2 GLN 195 -7.162 26.276 59.135 1.00 36.46 N ATOM 161 C GLN 195 -6.076 30.905 59.885 1.00 36.46 C ATOM 162 O GLN 195 -4.883 31.125 60.090 1.00 36.46 O ATOM 163 N HIS 196 -6.739 31.414 58.830 1.00 50.35 N ATOM 164 CA HIS 196 -6.109 32.207 57.817 1.00 50.35 C ATOM 165 ND1 HIS 196 -5.650 32.932 54.654 1.00 50.35 N ATOM 166 CG HIS 196 -6.472 33.434 55.637 1.00 50.35 C ATOM 167 CB HIS 196 -7.099 32.606 56.711 1.00 50.35 C ATOM 168 NE2 HIS 196 -5.802 35.122 54.302 1.00 50.35 N ATOM 169 CD2 HIS 196 -6.555 34.772 55.408 1.00 50.35 C ATOM 170 CE1 HIS 196 -5.277 33.985 53.884 1.00 50.35 C ATOM 171 C HIS 196 -5.562 33.461 58.425 1.00 50.35 C ATOM 172 O HIS 196 -4.453 33.884 58.097 1.00 50.35 O ATOM 173 N LYS 197 -6.320 34.084 59.343 1.00 71.68 N ATOM 174 CA LYS 197 -5.907 35.316 59.956 1.00 71.68 C ATOM 175 CB LYS 197 -6.916 35.863 60.979 1.00 71.68 C ATOM 176 CG LYS 197 -8.206 36.407 60.366 1.00 71.68 C ATOM 177 CD LYS 197 -9.316 36.599 61.401 1.00 71.68 C ATOM 178 CE LYS 197 -8.827 37.230 62.706 1.00 71.68 C ATOM 179 NZ LYS 197 -9.950 37.355 63.660 1.00 71.68 N ATOM 180 C LYS 197 -4.636 35.079 60.705 1.00 71.68 C ATOM 181 O LYS 197 -3.794 35.969 60.813 1.00 71.68 O ATOM 182 N LYS 198 -4.467 33.856 61.234 1.00110.68 N ATOM 183 CA LYS 198 -3.340 33.515 62.050 1.00110.68 C ATOM 184 CB LYS 198 -3.309 32.018 62.399 1.00110.68 C ATOM 185 CG LYS 198 -4.538 31.511 63.157 1.00110.68 C ATOM 186 CD LYS 198 -4.727 32.129 64.543 1.00110.68 C ATOM 187 CE LYS 198 -5.974 31.618 65.267 1.00110.68 C ATOM 188 NZ LYS 198 -5.725 30.276 65.840 1.00110.68 N ATOM 189 C LYS 198 -2.095 33.770 61.267 1.00110.68 C ATOM 190 O LYS 198 -1.108 34.267 61.807 1.00110.68 O ATOM 191 N ILE 199 -2.109 33.451 59.961 1.00111.31 N ATOM 192 CA ILE 199 -0.911 33.599 59.190 1.00111.31 C ATOM 193 CB ILE 199 -1.051 33.133 57.762 1.00111.31 C ATOM 194 CG1 ILE 199 0.337 32.948 57.126 1.00111.31 C ATOM 195 CG2 ILE 199 -1.952 34.117 56.999 1.00111.31 C ATOM 196 CD1 ILE 199 1.119 31.776 57.718 1.00111.31 C ATOM 197 C ILE 199 -0.494 35.039 59.196 1.00111.31 C ATOM 198 O ILE 199 0.690 35.347 59.327 1.00111.31 O ATOM 199 N HIS 200 -1.459 35.968 59.066 1.00 46.38 N ATOM 200 CA HIS 200 -1.130 37.360 58.991 1.00 46.38 C ATOM 201 ND1 HIS 200 -2.725 38.060 56.337 1.00 46.38 N ATOM 202 CG HIS 200 -3.172 37.865 57.623 1.00 46.38 C ATOM 203 CB HIS 200 -2.380 38.241 58.837 1.00 46.38 C ATOM 204 NE2 HIS 200 -4.722 37.094 56.179 1.00 46.38 N ATOM 205 CD2 HIS 200 -4.394 37.276 57.511 1.00 46.38 C ATOM 206 CE1 HIS 200 -3.691 37.579 55.514 1.00 46.38 C ATOM 207 C HIS 200 -0.451 37.773 60.254 1.00 46.38 C ATOM 208 O HIS 200 0.617 38.383 60.224 1.00 46.38 O ATOM 209 N THR 201 -1.044 37.428 61.410 1.00 15.91 N ATOM 210 CA THR 201 -0.453 37.853 62.642 1.00 15.91 C ATOM 211 CB THR 201 -1.383 37.755 63.814 1.00 15.91 C ATOM 212 OG1 THR 201 -1.747 36.403 64.049 1.00 15.91 O ATOM 213 CG2 THR 201 -2.636 38.586 63.501 1.00 15.91 C ATOM 214 C THR 201 0.764 36.984 62.929 1.00 15.91 C ATOM 215 O THR 201 0.587 35.758 63.156 1.00 15.91 O ATOM 216 OXT THR 201 1.894 37.542 62.932 1.00 15.91 O