USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1184 MET CE :methyl 155:sc= -0.266 (180deg=-1.02) USER MOD Single : A1187 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.99!) USER MOD Single : A1189 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A1190 SER OG : rot 180:sc= 0.0551 USER MOD Single : A1192 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot 180:sc= -0.33 USER MOD Single : A1200 SER OG : rot 180:sc= 0 USER MOD Single : A1203 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A1204 SER OG : rot -117:sc= 1.33 USER MOD Single : A1206 TYR OH : rot 180:sc= 0 USER MOD Single : A1212 TYR OH : rot 180:sc= 0 USER MOD Single : A1217 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.1) USER MOD Single : A1218 SER OG : rot 92:sc= 0.882 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.0771 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -12.036 -9.635 -2.231 1.00 0.00 N ATOM 2 CA GLY A1182 -12.968 -9.882 -1.157 1.00 0.00 C ATOM 3 C GLY A1182 -14.341 -9.338 -1.473 1.00 0.00 C ATOM 4 O GLY A1182 -14.588 -8.891 -2.592 1.00 0.00 O ATOM 0 HA2 GLY A1182 -13.035 -10.954 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -12.597 -9.423 -0.240 1.00 0.00 H new ATOM 10 N ALA A1183 -15.233 -9.367 -0.488 1.00 0.00 N ATOM 11 CA ALA A1183 -16.584 -8.849 -0.664 1.00 0.00 C ATOM 12 C ALA A1183 -16.716 -7.473 -0.029 1.00 0.00 C ATOM 13 O ALA A1183 -17.815 -6.925 0.089 1.00 0.00 O ATOM 14 CB ALA A1183 -17.606 -9.807 -0.074 1.00 0.00 C ATOM 0 H ALA A1183 -15.044 -9.744 0.441 1.00 0.00 H new ATOM 0 HA ALA A1183 -16.777 -8.755 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -18.608 -9.402 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -17.531 -10.773 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -17.413 -9.934 0.991 1.00 0.00 H new ATOM 20 N MET A1184 -15.585 -6.925 0.374 1.00 0.00 N ATOM 21 CA MET A1184 -15.535 -5.610 0.986 1.00 0.00 C ATOM 22 C MET A1184 -14.441 -4.776 0.332 1.00 0.00 C ATOM 23 O MET A1184 -13.249 -5.022 0.538 1.00 0.00 O ATOM 24 CB MET A1184 -15.286 -5.739 2.492 1.00 0.00 C ATOM 25 CG MET A1184 -15.089 -4.411 3.206 1.00 0.00 C ATOM 26 SD MET A1184 -14.004 -4.555 4.639 1.00 0.00 S ATOM 27 CE MET A1184 -12.455 -5.008 3.857 1.00 0.00 C ATOM 0 H MET A1184 -14.675 -7.378 0.287 1.00 0.00 H new ATOM 0 HA MET A1184 -16.492 -5.109 0.837 1.00 0.00 H new ATOM 0 HB2 MET A1184 -16.129 -6.261 2.945 1.00 0.00 H new ATOM 0 HB3 MET A1184 -14.404 -6.359 2.651 1.00 0.00 H new ATOM 0 HG2 MET A1184 -14.671 -3.685 2.509 1.00 0.00 H new ATOM 0 HG3 MET A1184 -16.058 -4.026 3.524 1.00 0.00 H new ATOM 0 HE1 MET A1184 -11.624 -4.709 4.496 1.00 0.00 H new ATOM 0 HE2 MET A1184 -12.426 -6.087 3.705 1.00 0.00 H new ATOM 0 HE3 MET A1184 -12.372 -4.503 2.894 1.00 0.00 H new ATOM 37 N VAL A1185 -14.851 -3.812 -0.470 1.00 0.00 N ATOM 38 CA VAL A1185 -13.910 -2.946 -1.154 1.00 0.00 C ATOM 39 C VAL A1185 -13.928 -1.552 -0.544 1.00 0.00 C ATOM 40 O VAL A1185 -14.986 -1.000 -0.228 1.00 0.00 O ATOM 41 CB VAL A1185 -14.182 -2.885 -2.684 1.00 0.00 C ATOM 42 CG1 VAL A1185 -15.653 -2.630 -2.986 1.00 0.00 C ATOM 43 CG2 VAL A1185 -13.308 -1.843 -3.375 1.00 0.00 C ATOM 0 H VAL A1185 -15.831 -3.609 -0.664 1.00 0.00 H new ATOM 0 HA VAL A1185 -12.916 -3.372 -1.022 1.00 0.00 H new ATOM 0 HB VAL A1185 -13.919 -3.864 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -15.802 -2.594 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -16.256 -3.433 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -15.955 -1.679 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -13.529 -1.833 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -13.512 -0.859 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -12.257 -2.092 -3.225 1.00 0.00 H new ATOM 53 N LEU A1186 -12.742 -1.018 -0.340 1.00 0.00 N ATOM 54 CA LEU A1186 -12.581 0.328 0.162 1.00 0.00 C ATOM 55 C LEU A1186 -12.396 1.290 -1.000 1.00 0.00 C ATOM 56 O LEU A1186 -11.400 1.228 -1.719 1.00 0.00 O ATOM 57 CB LEU A1186 -11.386 0.409 1.111 1.00 0.00 C ATOM 58 CG LEU A1186 -11.691 1.060 2.457 1.00 0.00 C ATOM 59 CD1 LEU A1186 -11.257 0.158 3.600 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.015 2.418 2.563 1.00 0.00 C ATOM 0 H LEU A1186 -11.864 -1.505 -0.518 1.00 0.00 H new ATOM 0 HA LEU A1186 -13.477 0.605 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.008 -0.598 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.588 0.969 0.623 1.00 0.00 H new ATOM 0 HG LEU A1186 -12.769 1.207 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -11.483 0.641 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.791 -0.790 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.185 -0.025 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -11.246 2.865 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -9.936 2.296 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -11.378 3.068 1.767 1.00 0.00 H new ATOM 72 N ASN A1187 -13.374 2.153 -1.195 1.00 0.00 N ATOM 73 CA ASN A1187 -13.330 3.131 -2.274 1.00 0.00 C ATOM 74 C ASN A1187 -12.632 4.395 -1.805 1.00 0.00 C ATOM 75 O ASN A1187 -13.247 5.282 -1.213 1.00 0.00 O ATOM 76 CB ASN A1187 -14.735 3.469 -2.791 1.00 0.00 C ATOM 77 CG ASN A1187 -15.848 2.847 -1.966 1.00 0.00 C ATOM 78 OD1 ASN A1187 -16.068 3.215 -0.812 1.00 0.00 O ATOM 79 ND2 ASN A1187 -16.555 1.897 -2.553 1.00 0.00 N ATOM 0 H ASN A1187 -14.215 2.200 -0.619 1.00 0.00 H new ATOM 0 HA ASN A1187 -12.768 2.690 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -14.860 4.552 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -14.825 3.130 -3.823 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -17.314 1.440 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -16.341 1.620 -3.511 1.00 0.00 H new ATOM 86 N CYS A1188 -11.343 4.463 -2.062 1.00 0.00 N ATOM 87 CA CYS A1188 -10.529 5.586 -1.626 1.00 0.00 C ATOM 88 C CYS A1188 -10.393 6.619 -2.733 1.00 0.00 C ATOM 89 O CYS A1188 -10.951 6.463 -3.823 1.00 0.00 O ATOM 90 CB CYS A1188 -9.140 5.104 -1.214 1.00 0.00 C ATOM 91 SG CYS A1188 -8.629 3.553 -2.017 1.00 0.00 S ATOM 0 H CYS A1188 -10.829 3.748 -2.576 1.00 0.00 H new ATOM 0 HA CYS A1188 -11.024 6.047 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.412 5.880 -1.449 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -9.120 4.966 -0.133 1.00 0.00 H new ATOM 96 N THR A1189 -9.647 7.672 -2.442 1.00 0.00 N ATOM 97 CA THR A1189 -9.327 8.686 -3.423 1.00 0.00 C ATOM 98 C THR A1189 -8.268 8.165 -4.392 1.00 0.00 C ATOM 99 O THR A1189 -7.638 7.136 -4.138 1.00 0.00 O ATOM 100 CB THR A1189 -8.801 9.955 -2.727 1.00 0.00 C ATOM 101 OG1 THR A1189 -8.007 9.590 -1.590 1.00 0.00 O ATOM 102 CG2 THR A1189 -9.945 10.846 -2.274 1.00 0.00 C ATOM 0 H THR A1189 -9.248 7.844 -1.519 1.00 0.00 H new ATOM 0 HA THR A1189 -10.235 8.929 -3.976 1.00 0.00 H new ATOM 0 HB THR A1189 -8.194 10.507 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A1189 -7.673 10.400 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A1189 -9.543 11.734 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A1189 -10.538 11.144 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A1189 -10.575 10.300 -1.572 1.00 0.00 H new ATOM 110 N SER A1190 -8.071 8.878 -5.493 1.00 0.00 N ATOM 111 CA SER A1190 -7.039 8.528 -6.459 1.00 0.00 C ATOM 112 C SER A1190 -5.658 8.939 -5.944 1.00 0.00 C ATOM 113 O SER A1190 -4.631 8.533 -6.486 1.00 0.00 O ATOM 114 CB SER A1190 -7.336 9.205 -7.797 1.00 0.00 C ATOM 115 OG SER A1190 -8.670 9.692 -7.828 1.00 0.00 O ATOM 0 H SER A1190 -8.615 9.705 -5.740 1.00 0.00 H new ATOM 0 HA SER A1190 -7.039 7.447 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.639 10.028 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.183 8.496 -8.611 1.00 0.00 H new ATOM 0 HG SER A1190 -8.841 10.123 -8.691 1.00 0.00 H new ATOM 121 N ALA A1191 -5.653 9.762 -4.902 1.00 0.00 N ATOM 122 CA ALA A1191 -4.427 10.163 -4.241 1.00 0.00 C ATOM 123 C ALA A1191 -3.931 9.074 -3.293 1.00 0.00 C ATOM 124 O ALA A1191 -2.728 8.825 -3.206 1.00 0.00 O ATOM 125 CB ALA A1191 -4.641 11.463 -3.489 1.00 0.00 C ATOM 0 H ALA A1191 -6.497 10.166 -4.496 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.663 10.317 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.714 11.755 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.941 12.243 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.422 11.326 -2.741 1.00 0.00 H new ATOM 131 N GLN A1192 -4.857 8.429 -2.589 1.00 0.00 N ATOM 132 CA GLN A1192 -4.503 7.376 -1.642 1.00 0.00 C ATOM 133 C GLN A1192 -4.132 6.089 -2.368 1.00 0.00 C ATOM 134 O GLN A1192 -4.593 5.837 -3.483 1.00 0.00 O ATOM 135 CB GLN A1192 -5.651 7.119 -0.662 1.00 0.00 C ATOM 136 CG GLN A1192 -5.549 7.958 0.602 1.00 0.00 C ATOM 137 CD GLN A1192 -6.751 7.801 1.511 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.543 6.868 1.371 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.908 8.723 2.444 1.00 0.00 N ATOM 0 H GLN A1192 -5.857 8.617 -2.656 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.633 7.714 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.599 7.331 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.662 6.063 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.648 7.677 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.441 9.007 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -6.232 9.482 2.530 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.706 8.676 3.078 1.00 0.00 H new ATOM 148 N PHE A1193 -3.295 5.284 -1.730 1.00 0.00 N ATOM 149 CA PHE A1193 -2.831 4.041 -2.319 1.00 0.00 C ATOM 150 C PHE A1193 -3.834 2.924 -2.049 1.00 0.00 C ATOM 151 O PHE A1193 -4.199 2.663 -0.903 1.00 0.00 O ATOM 152 CB PHE A1193 -1.442 3.667 -1.777 1.00 0.00 C ATOM 153 CG PHE A1193 -0.872 2.419 -2.395 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.212 2.479 -3.610 1.00 0.00 C ATOM 155 CD2 PHE A1193 -1.004 1.187 -1.768 1.00 0.00 C ATOM 156 CE1 PHE A1193 0.304 1.338 -4.190 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.493 0.044 -2.345 1.00 0.00 C ATOM 158 CZ PHE A1193 0.162 0.119 -3.558 1.00 0.00 C ATOM 0 H PHE A1193 -2.923 5.473 -0.799 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.746 4.179 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.757 4.496 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.507 3.531 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.099 3.430 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.513 1.124 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.819 1.399 -5.138 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.605 -0.909 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.563 -0.775 -4.012 1.00 0.00 H new ATOM 168 N LYS A1194 -4.271 2.279 -3.115 1.00 0.00 N ATOM 169 CA LYS A1194 -5.240 1.201 -3.029 1.00 0.00 C ATOM 170 C LYS A1194 -4.539 -0.149 -2.962 1.00 0.00 C ATOM 171 O LYS A1194 -3.526 -0.361 -3.631 1.00 0.00 O ATOM 172 CB LYS A1194 -6.159 1.256 -4.243 1.00 0.00 C ATOM 173 CG LYS A1194 -7.597 0.892 -3.940 1.00 0.00 C ATOM 174 CD LYS A1194 -8.002 -0.346 -4.695 1.00 0.00 C ATOM 175 CE LYS A1194 -8.358 -0.027 -6.141 1.00 0.00 C ATOM 176 NZ LYS A1194 -9.816 -0.153 -6.402 1.00 0.00 N ATOM 0 H LYS A1194 -3.964 2.487 -4.065 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.828 1.322 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.130 2.261 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -5.776 0.579 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.718 0.727 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -8.252 1.720 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -7.188 -1.071 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.857 -0.810 -4.203 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -8.035 0.987 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -7.813 -0.699 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -10.011 0.073 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.122 -1.127 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.337 0.506 -5.789 1.00 0.00 H new ATOM 190 N CYS A1195 -5.076 -1.042 -2.138 1.00 0.00 N ATOM 191 CA CYS A1195 -4.622 -2.427 -2.078 1.00 0.00 C ATOM 192 C CYS A1195 -4.837 -3.105 -3.435 1.00 0.00 C ATOM 193 O CYS A1195 -5.642 -2.636 -4.246 1.00 0.00 O ATOM 194 CB CYS A1195 -5.425 -3.173 -1.007 1.00 0.00 C ATOM 195 SG CYS A1195 -4.514 -3.617 0.512 1.00 0.00 S ATOM 0 H CYS A1195 -5.837 -0.827 -1.494 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.561 -2.449 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.280 -2.557 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.822 -4.087 -1.449 1.00 0.00 H new ATOM 200 N ALA A1196 -4.151 -4.216 -3.676 1.00 0.00 N ATOM 201 CA ALA A1196 -4.297 -4.931 -4.940 1.00 0.00 C ATOM 202 C ALA A1196 -5.678 -5.567 -5.048 1.00 0.00 C ATOM 203 O ALA A1196 -6.258 -5.631 -6.130 1.00 0.00 O ATOM 204 CB ALA A1196 -3.212 -5.983 -5.099 1.00 0.00 C ATOM 0 H ALA A1196 -3.494 -4.639 -3.020 1.00 0.00 H new ATOM 0 HA ALA A1196 -4.189 -4.207 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -3.344 -6.501 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -2.234 -5.502 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -3.279 -6.701 -4.282 1.00 0.00 H new ATOM 210 N ASP A1197 -6.202 -6.027 -3.915 1.00 0.00 N ATOM 211 CA ASP A1197 -7.565 -6.551 -3.861 1.00 0.00 C ATOM 212 C ASP A1197 -8.574 -5.407 -3.732 1.00 0.00 C ATOM 213 O ASP A1197 -9.735 -5.531 -4.128 1.00 0.00 O ATOM 214 CB ASP A1197 -7.718 -7.525 -2.687 1.00 0.00 C ATOM 215 CG ASP A1197 -9.082 -8.190 -2.651 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.443 -8.875 -3.632 1.00 0.00 O ATOM 217 OD2 ASP A1197 -9.802 -8.028 -1.645 1.00 0.00 O ATOM 0 H ASP A1197 -5.706 -6.048 -3.024 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.763 -7.088 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -6.946 -8.292 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -7.555 -6.989 -1.752 1.00 0.00 H new ATOM 222 N GLY A1198 -8.103 -4.280 -3.207 1.00 0.00 N ATOM 223 CA GLY A1198 -8.978 -3.155 -2.922 1.00 0.00 C ATOM 224 C GLY A1198 -9.609 -3.268 -1.551 1.00 0.00 C ATOM 225 O GLY A1198 -10.585 -2.587 -1.251 1.00 0.00 O ATOM 0 H GLY A1198 -7.123 -4.125 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.410 -2.227 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.760 -3.102 -3.679 1.00 0.00 H new ATOM 229 N SER A1199 -9.042 -4.139 -0.727 1.00 0.00 N ATOM 230 CA SER A1199 -9.539 -4.403 0.615 1.00 0.00 C ATOM 231 C SER A1199 -9.361 -3.195 1.532 1.00 0.00 C ATOM 232 O SER A1199 -10.253 -2.850 2.304 1.00 0.00 O ATOM 233 CB SER A1199 -8.788 -5.605 1.177 1.00 0.00 C ATOM 234 OG SER A1199 -7.698 -5.937 0.327 1.00 0.00 O ATOM 0 H SER A1199 -8.217 -4.686 -0.974 1.00 0.00 H new ATOM 0 HA SER A1199 -10.608 -4.610 0.562 1.00 0.00 H new ATOM 0 HB2 SER A1199 -8.423 -5.380 2.179 1.00 0.00 H new ATOM 0 HB3 SER A1199 -9.463 -6.456 1.267 1.00 0.00 H new ATOM 0 HG SER A1199 -7.219 -6.709 0.695 1.00 0.00 H new ATOM 240 N SER A1200 -8.197 -2.564 1.451 1.00 0.00 N ATOM 241 CA SER A1200 -7.890 -1.407 2.277 1.00 0.00 C ATOM 242 C SER A1200 -7.198 -0.328 1.453 1.00 0.00 C ATOM 243 O SER A1200 -6.717 -0.594 0.348 1.00 0.00 O ATOM 244 CB SER A1200 -6.997 -1.819 3.454 1.00 0.00 C ATOM 245 OG SER A1200 -7.369 -3.093 3.959 1.00 0.00 O ATOM 0 H SER A1200 -7.446 -2.837 0.817 1.00 0.00 H new ATOM 0 HA SER A1200 -8.826 -1.003 2.664 1.00 0.00 H new ATOM 0 HB2 SER A1200 -5.956 -1.842 3.133 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.070 -1.075 4.247 1.00 0.00 H new ATOM 0 HG SER A1200 -6.783 -3.332 4.707 1.00 0.00 H new ATOM 251 N CYS A1201 -7.167 0.889 1.980 1.00 0.00 N ATOM 252 CA CYS A1201 -6.444 1.975 1.338 1.00 0.00 C ATOM 253 C CYS A1201 -5.578 2.691 2.356 1.00 0.00 C ATOM 254 O CYS A1201 -6.026 3.005 3.462 1.00 0.00 O ATOM 255 CB CYS A1201 -7.395 2.972 0.676 1.00 0.00 C ATOM 256 SG CYS A1201 -8.575 2.224 -0.490 1.00 0.00 S ATOM 0 H CYS A1201 -7.634 1.147 2.849 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.816 1.542 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.953 3.495 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.806 3.721 0.147 1.00 0.00 H new ATOM 261 N ILE A1202 -4.340 2.935 1.981 1.00 0.00 N ATOM 262 CA ILE A1202 -3.395 3.624 2.843 1.00 0.00 C ATOM 263 C ILE A1202 -2.988 4.941 2.203 1.00 0.00 C ATOM 264 O ILE A1202 -3.417 5.252 1.093 1.00 0.00 O ATOM 265 CB ILE A1202 -2.137 2.768 3.124 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.585 2.168 1.828 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.461 1.665 4.120 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.098 2.364 1.658 1.00 0.00 C ATOM 0 H ILE A1202 -3.959 2.664 1.075 1.00 0.00 H new ATOM 0 HA ILE A1202 -3.888 3.808 3.797 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.372 3.416 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.807 1.101 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.102 2.618 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.567 1.071 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.806 2.108 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.243 1.025 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.223 1.914 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.129 3.430 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.429 1.890 2.486 1.00 0.00 H new ATOM 280 N ASN A1203 -2.170 5.718 2.891 1.00 0.00 N ATOM 281 CA ASN A1203 -1.710 6.982 2.336 1.00 0.00 C ATOM 282 C ASN A1203 -0.549 6.749 1.386 1.00 0.00 C ATOM 283 O ASN A1203 0.166 5.752 1.496 1.00 0.00 O ATOM 284 CB ASN A1203 -1.289 7.951 3.439 1.00 0.00 C ATOM 285 CG ASN A1203 -2.302 9.056 3.650 1.00 0.00 C ATOM 286 OD1 ASN A1203 -2.613 9.819 2.735 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.818 9.156 4.859 1.00 0.00 N ATOM 0 H ASN A1203 -1.814 5.502 3.822 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.541 7.427 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.155 7.401 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.324 8.389 3.186 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.501 9.885 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.534 8.504 5.590 1.00 0.00 H new ATOM 294 N SER A1204 -0.366 7.678 0.465 1.00 0.00 N ATOM 295 CA SER A1204 0.715 7.607 -0.517 1.00 0.00 C ATOM 296 C SER A1204 2.091 7.757 0.143 1.00 0.00 C ATOM 297 O SER A1204 3.101 7.335 -0.418 1.00 0.00 O ATOM 298 CB SER A1204 0.510 8.694 -1.571 1.00 0.00 C ATOM 299 OG SER A1204 -0.746 9.336 -1.396 1.00 0.00 O ATOM 0 H SER A1204 -0.958 8.503 0.372 1.00 0.00 H new ATOM 0 HA SER A1204 0.688 6.625 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.312 9.429 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.564 8.255 -2.567 1.00 0.00 H new ATOM 0 HG SER A1204 -1.306 9.179 -2.185 1.00 0.00 H new ATOM 305 N ARG A1205 2.117 8.336 1.348 1.00 0.00 N ATOM 306 CA ARG A1205 3.355 8.478 2.116 1.00 0.00 C ATOM 307 C ARG A1205 3.791 7.135 2.699 1.00 0.00 C ATOM 308 O ARG A1205 4.934 6.965 3.121 1.00 0.00 O ATOM 309 CB ARG A1205 3.166 9.494 3.243 1.00 0.00 C ATOM 310 CG ARG A1205 2.154 9.066 4.294 1.00 0.00 C ATOM 311 CD ARG A1205 2.179 9.986 5.499 1.00 0.00 C ATOM 312 NE ARG A1205 0.892 10.648 5.709 1.00 0.00 N ATOM 313 CZ ARG A1205 0.125 10.470 6.787 1.00 0.00 C ATOM 314 NH1 ARG A1205 0.533 9.695 7.784 1.00 0.00 N ATOM 315 NH2 ARG A1205 -1.046 11.089 6.875 1.00 0.00 N ATOM 0 H ARG A1205 1.291 8.714 1.812 1.00 0.00 H new ATOM 0 HA ARG A1205 4.133 8.833 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A1205 4.127 9.668 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.849 10.444 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A1205 1.155 9.063 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A1205 2.367 8.045 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A1205 2.441 9.412 6.388 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.956 10.738 5.365 1.00 0.00 H new ATOM 0 HE ARG A1205 0.559 11.286 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A1205 1.439 9.230 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A1205 -0.060 9.565 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A1205 -1.358 11.699 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A1205 -1.634 10.954 7.698 1.00 0.00 H new ATOM 329 N TYR A1206 2.867 6.184 2.718 1.00 0.00 N ATOM 330 CA TYR A1206 3.143 4.853 3.233 1.00 0.00 C ATOM 331 C TYR A1206 3.546 3.912 2.102 1.00 0.00 C ATOM 332 O TYR A1206 3.575 2.700 2.273 1.00 0.00 O ATOM 333 CB TYR A1206 1.922 4.298 3.965 1.00 0.00 C ATOM 334 CG TYR A1206 1.658 4.963 5.293 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.531 4.795 6.358 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.537 5.757 5.481 1.00 0.00 C ATOM 337 CE1 TYR A1206 2.293 5.402 7.575 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.291 6.369 6.692 1.00 0.00 C ATOM 339 CZ TYR A1206 1.171 6.187 7.737 1.00 0.00 C ATOM 340 OH TYR A1206 0.930 6.796 8.947 1.00 0.00 O ATOM 0 H TYR A1206 1.913 6.313 2.380 1.00 0.00 H new ATOM 0 HA TYR A1206 3.971 4.927 3.938 1.00 0.00 H new ATOM 0 HB2 TYR A1206 1.044 4.414 3.329 1.00 0.00 H new ATOM 0 HB3 TYR A1206 2.060 3.229 4.125 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.410 4.180 6.233 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.156 5.899 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.982 5.263 8.395 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.585 6.987 6.821 1.00 0.00 H new ATOM 0 HH TYR A1206 0.099 7.313 8.893 1.00 0.00 H new ATOM 350 N ARG A1207 3.827 4.469 0.936 1.00 0.00 N ATOM 351 CA ARG A1207 4.358 3.682 -0.161 1.00 0.00 C ATOM 352 C ARG A1207 5.870 3.559 0.011 1.00 0.00 C ATOM 353 O ARG A1207 6.578 4.567 0.024 1.00 0.00 O ATOM 354 CB ARG A1207 3.985 4.323 -1.511 1.00 0.00 C ATOM 355 CG ARG A1207 4.661 3.691 -2.720 1.00 0.00 C ATOM 356 CD ARG A1207 4.179 2.267 -2.955 1.00 0.00 C ATOM 357 NE ARG A1207 4.493 1.786 -4.299 1.00 0.00 N ATOM 358 CZ ARG A1207 4.848 0.531 -4.584 1.00 0.00 C ATOM 359 NH1 ARG A1207 5.043 -0.354 -3.615 1.00 0.00 N ATOM 360 NH2 ARG A1207 5.038 0.172 -5.843 1.00 0.00 N ATOM 0 H ARG A1207 3.697 5.459 0.726 1.00 0.00 H new ATOM 0 HA ARG A1207 3.923 2.683 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.905 4.261 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.242 5.382 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.460 4.294 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.741 3.690 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A1207 4.637 1.606 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A1207 3.101 2.221 -2.798 1.00 0.00 H new ATOM 0 HE ARG A1207 4.437 2.452 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A1207 4.922 -0.078 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A1207 5.314 -1.310 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.913 0.853 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A1207 5.309 -0.786 -6.065 1.00 0.00 H new ATOM 374 N CYS A1208 6.339 2.315 0.172 1.00 0.00 N ATOM 375 CA CYS A1208 7.751 2.015 0.451 1.00 0.00 C ATOM 376 C CYS A1208 8.184 2.624 1.786 1.00 0.00 C ATOM 377 O CYS A1208 9.151 3.385 1.859 1.00 0.00 O ATOM 378 CB CYS A1208 8.662 2.495 -0.689 1.00 0.00 C ATOM 379 SG CYS A1208 7.926 2.321 -2.348 1.00 0.00 S ATOM 0 H CYS A1208 5.749 1.485 0.112 1.00 0.00 H new ATOM 0 HA CYS A1208 7.851 0.932 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.914 3.542 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.595 1.933 -0.656 1.00 0.00 H new ATOM 384 N ASP A1209 7.459 2.266 2.841 1.00 0.00 N ATOM 385 CA ASP A1209 7.709 2.809 4.173 1.00 0.00 C ATOM 386 C ASP A1209 8.305 1.752 5.106 1.00 0.00 C ATOM 387 O ASP A1209 8.856 2.084 6.158 1.00 0.00 O ATOM 388 CB ASP A1209 6.416 3.397 4.763 1.00 0.00 C ATOM 389 CG ASP A1209 5.516 2.362 5.418 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.105 1.398 4.733 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.210 2.512 6.616 1.00 0.00 O ATOM 0 H ASP A1209 6.689 1.598 2.799 1.00 0.00 H new ATOM 0 HA ASP A1209 8.442 3.610 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A1209 6.676 4.157 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A1209 5.861 3.898 3.970 1.00 0.00 H new ATOM 396 N GLY A1210 8.201 0.484 4.716 1.00 0.00 N ATOM 397 CA GLY A1210 8.787 -0.593 5.500 1.00 0.00 C ATOM 398 C GLY A1210 7.758 -1.432 6.240 1.00 0.00 C ATOM 399 O GLY A1210 8.097 -2.468 6.816 1.00 0.00 O ATOM 0 H GLY A1210 7.720 0.181 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A1210 9.365 -1.240 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.485 -0.169 6.221 1.00 0.00 H new ATOM 403 N VAL A1211 6.507 -0.998 6.234 1.00 0.00 N ATOM 404 CA VAL A1211 5.446 -1.714 6.936 1.00 0.00 C ATOM 405 C VAL A1211 4.538 -2.432 5.940 1.00 0.00 C ATOM 406 O VAL A1211 4.323 -1.948 4.840 1.00 0.00 O ATOM 407 CB VAL A1211 4.610 -0.745 7.808 1.00 0.00 C ATOM 408 CG1 VAL A1211 3.494 -1.468 8.546 1.00 0.00 C ATOM 409 CG2 VAL A1211 5.502 -0.015 8.797 1.00 0.00 C ATOM 0 H VAL A1211 6.199 -0.154 5.752 1.00 0.00 H new ATOM 0 HA VAL A1211 5.912 -2.453 7.588 1.00 0.00 H new ATOM 0 HB VAL A1211 4.150 -0.019 7.137 1.00 0.00 H new ATOM 0 HG11 VAL A1211 2.932 -0.753 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A1211 2.827 -1.940 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A1211 3.922 -2.230 9.197 1.00 0.00 H new ATOM 0 HG21 VAL A1211 4.898 0.662 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A1211 5.995 -0.739 9.446 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.255 0.557 8.255 1.00 0.00 H new ATOM 419 N TYR A1212 4.030 -3.598 6.309 1.00 0.00 N ATOM 420 CA TYR A1212 3.094 -4.318 5.461 1.00 0.00 C ATOM 421 C TYR A1212 1.655 -4.030 5.895 1.00 0.00 C ATOM 422 O TYR A1212 1.082 -4.767 6.699 1.00 0.00 O ATOM 423 CB TYR A1212 3.383 -5.817 5.526 1.00 0.00 C ATOM 424 CG TYR A1212 4.756 -6.197 5.013 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.122 -5.959 3.693 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.686 -6.803 5.851 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.371 -6.315 3.225 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.939 -7.157 5.388 1.00 0.00 C ATOM 429 CZ TYR A1212 7.276 -6.912 4.076 1.00 0.00 C ATOM 430 OH TYR A1212 8.521 -7.271 3.608 1.00 0.00 O ATOM 0 H TYR A1212 4.250 -4.065 7.189 1.00 0.00 H new ATOM 0 HA TYR A1212 3.216 -3.981 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.286 -6.152 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.629 -6.349 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.418 -5.488 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.425 -7.000 6.880 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.638 -6.126 2.196 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.651 -7.624 6.053 1.00 0.00 H new ATOM 0 HH TYR A1212 9.038 -7.679 4.334 1.00 0.00 H new ATOM 440 N ASP A1213 1.085 -2.947 5.370 1.00 0.00 N ATOM 441 CA ASP A1213 -0.271 -2.531 5.738 1.00 0.00 C ATOM 442 C ASP A1213 -1.295 -3.257 4.882 1.00 0.00 C ATOM 443 O ASP A1213 -2.285 -3.788 5.388 1.00 0.00 O ATOM 444 CB ASP A1213 -0.462 -1.016 5.576 1.00 0.00 C ATOM 445 CG ASP A1213 0.754 -0.203 5.975 1.00 0.00 C ATOM 446 OD1 ASP A1213 1.613 0.055 5.104 1.00 0.00 O ATOM 447 OD2 ASP A1213 0.852 0.193 7.154 1.00 0.00 O ATOM 0 H ASP A1213 1.540 -2.340 4.688 1.00 0.00 H new ATOM 0 HA ASP A1213 -0.416 -2.788 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A1213 -0.708 -0.799 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -1.314 -0.699 6.178 1.00 0.00 H new ATOM 452 N CYS A1214 -1.061 -3.252 3.578 1.00 0.00 N ATOM 453 CA CYS A1214 -1.870 -4.012 2.644 1.00 0.00 C ATOM 454 C CYS A1214 -1.577 -5.494 2.820 1.00 0.00 C ATOM 455 O CYS A1214 -0.415 -5.895 2.941 1.00 0.00 O ATOM 456 CB CYS A1214 -1.574 -3.581 1.202 1.00 0.00 C ATOM 457 SG CYS A1214 -2.833 -2.483 0.472 1.00 0.00 S ATOM 0 H CYS A1214 -0.307 -2.722 3.141 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.924 -3.823 2.846 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.609 -3.074 1.178 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.482 -4.472 0.581 1.00 0.00 H new ATOM 462 N ARG A1215 -2.624 -6.311 2.825 1.00 0.00 N ATOM 463 CA ARG A1215 -2.475 -7.744 3.070 1.00 0.00 C ATOM 464 C ARG A1215 -1.971 -8.465 1.817 1.00 0.00 C ATOM 465 O ARG A1215 -1.714 -9.669 1.842 1.00 0.00 O ATOM 466 CB ARG A1215 -3.797 -8.348 3.550 1.00 0.00 C ATOM 467 CG ARG A1215 -4.424 -7.603 4.722 1.00 0.00 C ATOM 468 CD ARG A1215 -3.617 -7.777 6.001 1.00 0.00 C ATOM 469 NE ARG A1215 -3.358 -6.499 6.669 1.00 0.00 N ATOM 470 CZ ARG A1215 -2.399 -6.309 7.580 1.00 0.00 C ATOM 471 NH1 ARG A1215 -1.622 -7.316 7.963 1.00 0.00 N ATOM 472 NH2 ARG A1215 -2.223 -5.110 8.120 1.00 0.00 N ATOM 0 H ARG A1215 -3.584 -6.008 2.663 1.00 0.00 H new ATOM 0 HA ARG A1215 -1.731 -7.878 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.503 -8.360 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -3.628 -9.385 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -4.498 -6.543 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.440 -7.965 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -4.154 -8.438 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -2.669 -8.262 5.768 1.00 0.00 H new ATOM 0 HE ARG A1215 -3.947 -5.704 6.423 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -1.755 -8.244 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -0.893 -7.161 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -2.820 -4.332 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -1.491 -4.966 8.815 1.00 0.00 H new ATOM 486 N ASP A1216 -1.823 -7.716 0.730 1.00 0.00 N ATOM 487 CA ASP A1216 -1.281 -8.251 -0.513 1.00 0.00 C ATOM 488 C ASP A1216 0.144 -7.736 -0.744 1.00 0.00 C ATOM 489 O ASP A1216 0.742 -7.987 -1.794 1.00 0.00 O ATOM 490 CB ASP A1216 -2.182 -7.893 -1.702 1.00 0.00 C ATOM 491 CG ASP A1216 -2.803 -6.511 -1.594 1.00 0.00 C ATOM 492 OD1 ASP A1216 -2.051 -5.523 -1.496 1.00 0.00 O ATOM 493 OD2 ASP A1216 -4.049 -6.409 -1.615 1.00 0.00 O ATOM 0 H ASP A1216 -2.073 -6.728 0.685 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.247 -9.337 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.598 -7.950 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -2.976 -8.635 -1.783 1.00 0.00 H new ATOM 498 N ASN A1217 0.662 -6.999 0.256 1.00 0.00 N ATOM 499 CA ASN A1217 2.056 -6.509 0.287 1.00 0.00 C ATOM 500 C ASN A1217 2.366 -5.498 -0.822 1.00 0.00 C ATOM 501 O ASN A1217 3.531 -5.172 -1.053 1.00 0.00 O ATOM 502 CB ASN A1217 3.054 -7.676 0.187 1.00 0.00 C ATOM 503 CG ASN A1217 3.147 -8.506 1.451 1.00 0.00 C ATOM 504 OD1 ASN A1217 2.777 -8.063 2.539 1.00 0.00 O ATOM 505 ND2 ASN A1217 3.654 -9.722 1.317 1.00 0.00 N ATOM 0 H ASN A1217 0.120 -6.723 1.075 1.00 0.00 H new ATOM 0 HA ASN A1217 2.165 -6.000 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A1217 2.763 -8.322 -0.641 1.00 0.00 H new ATOM 0 HB3 ASN A1217 4.041 -7.279 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A1217 3.749 -10.328 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A1217 3.949 -10.053 0.399 1.00 0.00 H new ATOM 512 N SER A1218 1.338 -4.970 -1.479 1.00 0.00 N ATOM 513 CA SER A1218 1.539 -4.147 -2.671 1.00 0.00 C ATOM 514 C SER A1218 2.070 -2.748 -2.350 1.00 0.00 C ATOM 515 O SER A1218 2.588 -2.068 -3.232 1.00 0.00 O ATOM 516 CB SER A1218 0.238 -4.048 -3.463 1.00 0.00 C ATOM 517 OG SER A1218 -0.367 -5.321 -3.582 1.00 0.00 O ATOM 0 H SER A1218 0.362 -5.095 -1.210 1.00 0.00 H new ATOM 0 HA SER A1218 2.302 -4.641 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.445 -3.359 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.438 -3.640 -4.454 1.00 0.00 H new ATOM 0 HG SER A1218 -0.996 -5.455 -2.842 1.00 0.00 H new ATOM 523 N ASP A1219 1.966 -2.321 -1.095 1.00 0.00 N ATOM 524 CA ASP A1219 2.455 -1.001 -0.708 1.00 0.00 C ATOM 525 C ASP A1219 3.968 -1.007 -0.517 1.00 0.00 C ATOM 526 O ASP A1219 4.603 0.048 -0.511 1.00 0.00 O ATOM 527 CB ASP A1219 1.764 -0.499 0.568 1.00 0.00 C ATOM 528 CG ASP A1219 1.812 -1.475 1.737 1.00 0.00 C ATOM 529 OD1 ASP A1219 2.868 -2.075 1.997 1.00 0.00 O ATOM 530 OD2 ASP A1219 0.767 -1.665 2.374 1.00 0.00 O ATOM 0 H ASP A1219 1.552 -2.862 -0.336 1.00 0.00 H new ATOM 0 HA ASP A1219 2.211 -0.317 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.230 0.438 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.722 -0.277 0.339 1.00 0.00 H new ATOM 535 N GLU A1220 4.535 -2.196 -0.374 1.00 0.00 N ATOM 536 CA GLU A1220 5.954 -2.345 -0.089 1.00 0.00 C ATOM 537 C GLU A1220 6.697 -2.916 -1.284 1.00 0.00 C ATOM 538 O GLU A1220 7.782 -2.449 -1.634 1.00 0.00 O ATOM 539 CB GLU A1220 6.146 -3.253 1.130 1.00 0.00 C ATOM 540 CG GLU A1220 6.480 -2.512 2.420 1.00 0.00 C ATOM 541 CD GLU A1220 6.815 -1.050 2.207 1.00 0.00 C ATOM 542 OE1 GLU A1220 7.996 -0.736 1.960 1.00 0.00 O ATOM 543 OE2 GLU A1220 5.898 -0.203 2.301 1.00 0.00 O ATOM 0 H GLU A1220 4.029 -3.078 -0.452 1.00 0.00 H new ATOM 0 HA GLU A1220 6.365 -1.358 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.236 -3.833 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A1220 6.944 -3.964 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A1220 5.633 -2.587 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A1220 7.324 -3.003 2.904 1.00 0.00 H new ATOM 550 N ALA A1221 6.097 -3.920 -1.911 1.00 0.00 N ATOM 551 CA ALA A1221 6.716 -4.611 -3.030 1.00 0.00 C ATOM 552 C ALA A1221 6.723 -3.742 -4.278 1.00 0.00 C ATOM 553 O ALA A1221 5.775 -2.998 -4.537 1.00 0.00 O ATOM 554 CB ALA A1221 5.986 -5.917 -3.301 1.00 0.00 C ATOM 0 H ALA A1221 5.174 -4.275 -1.659 1.00 0.00 H new ATOM 0 HA ALA A1221 7.752 -4.827 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A1221 6.456 -6.429 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A1221 6.035 -6.551 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.943 -5.708 -3.541 1.00 0.00 H new ATOM 560 N GLY A1222 7.804 -3.832 -5.039 1.00 0.00 N ATOM 561 CA GLY A1222 7.907 -3.092 -6.279 1.00 0.00 C ATOM 562 C GLY A1222 8.547 -1.733 -6.100 1.00 0.00 C ATOM 563 O GLY A1222 8.218 -0.791 -6.819 1.00 0.00 O ATOM 0 H GLY A1222 8.616 -4.408 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A1222 8.490 -3.671 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A1222 6.912 -2.966 -6.705 1.00 0.00 H new ATOM 567 N CYS A1223 9.461 -1.626 -5.148 1.00 0.00 N ATOM 568 CA CYS A1223 10.154 -0.373 -4.897 1.00 0.00 C ATOM 569 C CYS A1223 11.665 -0.579 -4.913 1.00 0.00 C ATOM 570 O CYS A1223 12.158 -1.618 -4.471 1.00 0.00 O ATOM 571 CB CYS A1223 9.725 0.209 -3.552 1.00 0.00 C ATOM 572 SG CYS A1223 9.520 2.019 -3.559 1.00 0.00 S ATOM 0 H CYS A1223 9.740 -2.393 -4.536 1.00 0.00 H new ATOM 0 HA CYS A1223 9.889 0.327 -5.690 1.00 0.00 H new ATOM 0 HB2 CYS A1223 8.784 -0.252 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS A1223 10.466 -0.060 -2.799 1.00 0.00 H new ATOM 577 N PRO A1224 12.420 0.392 -5.455 1.00 0.00 N ATOM 578 CA PRO A1224 13.884 0.377 -5.415 1.00 0.00 C ATOM 579 C PRO A1224 14.415 0.598 -4.001 1.00 0.00 C ATOM 580 O PRO A1224 14.079 1.596 -3.358 1.00 0.00 O ATOM 581 CB PRO A1224 14.282 1.553 -6.322 1.00 0.00 C ATOM 582 CG PRO A1224 13.057 1.874 -7.101 1.00 0.00 C ATOM 583 CD PRO A1224 11.921 1.570 -6.179 1.00 0.00 C ATOM 0 HA PRO A1224 14.293 -0.581 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A1224 14.611 2.410 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A1224 15.108 1.281 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A1224 13.047 2.920 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A1224 12.999 1.275 -8.010 1.00 0.00 H new ATOM 0 HD2 PRO A1224 11.707 2.401 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A1224 11.001 1.355 -6.723 1.00 0.00 H new ATOM 591 N THR A1225 15.222 -0.339 -3.516 1.00 0.00 N ATOM 592 CA THR A1225 15.840 -0.215 -2.207 1.00 0.00 C ATOM 593 C THR A1225 16.846 0.933 -2.186 1.00 0.00 C ATOM 594 O THR A1225 17.678 1.059 -3.086 1.00 0.00 O ATOM 595 CB THR A1225 16.542 -1.524 -1.807 1.00 0.00 C ATOM 596 OG1 THR A1225 16.079 -2.605 -2.634 1.00 0.00 O ATOM 597 CG2 THR A1225 16.267 -1.849 -0.354 1.00 0.00 C ATOM 0 H THR A1225 15.462 -1.196 -4.015 1.00 0.00 H new ATOM 0 HA THR A1225 15.049 -0.004 -1.488 1.00 0.00 H new ATOM 0 HB THR A1225 17.615 -1.395 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A1225 16.533 -3.434 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A1225 16.771 -2.778 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A1225 16.638 -1.041 0.276 1.00 0.00 H new ATOM 0 HG23 THR A1225 15.193 -1.962 -0.203 1.00 0.00 H new ATOM 605 N ARG A1226 16.751 1.774 -1.168 1.00 0.00 N ATOM 606 CA ARG A1226 17.609 2.944 -1.062 1.00 0.00 C ATOM 607 C ARG A1226 18.803 2.664 -0.151 1.00 0.00 C ATOM 608 O ARG A1226 18.701 1.872 0.787 1.00 0.00 O ATOM 609 CB ARG A1226 16.806 4.131 -0.529 1.00 0.00 C ATOM 610 CG ARG A1226 16.765 5.312 -1.483 1.00 0.00 C ATOM 611 CD ARG A1226 16.035 6.492 -0.871 1.00 0.00 C ATOM 612 NE ARG A1226 14.620 6.498 -1.227 1.00 0.00 N ATOM 613 CZ ARG A1226 13.680 7.138 -0.536 1.00 0.00 C ATOM 614 NH1 ARG A1226 14.004 7.862 0.529 1.00 0.00 N ATOM 615 NH2 ARG A1226 12.413 7.061 -0.918 1.00 0.00 N ATOM 0 H ARG A1226 16.087 1.668 -0.401 1.00 0.00 H new ATOM 0 HA ARG A1226 17.989 3.185 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A1226 15.786 3.806 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A1226 17.236 4.454 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A1226 17.782 5.607 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A1226 16.271 5.017 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A1226 16.137 6.459 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A1226 16.498 7.420 -1.207 1.00 0.00 H new ATOM 0 HE ARG A1226 14.334 5.979 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A1226 14.979 7.930 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A1226 13.278 8.350 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A1226 12.161 6.512 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A1226 11.691 7.551 -0.390 1.00 0.00 H new ATOM 629 N PRO A1227 19.961 3.292 -0.432 1.00 0.00 N ATOM 630 CA PRO A1227 21.153 3.185 0.419 1.00 0.00 C ATOM 631 C PRO A1227 20.935 3.854 1.780 1.00 0.00 C ATOM 632 O PRO A1227 19.966 4.594 1.956 1.00 0.00 O ATOM 633 CB PRO A1227 22.239 3.936 -0.377 1.00 0.00 C ATOM 634 CG PRO A1227 21.696 4.084 -1.755 1.00 0.00 C ATOM 635 CD PRO A1227 20.208 4.144 -1.604 1.00 0.00 C ATOM 0 HA PRO A1227 21.413 2.149 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A1227 22.449 4.909 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A1227 23.176 3.379 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A1227 22.077 4.988 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A1227 21.991 3.244 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A1227 19.859 5.164 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A1227 19.697 3.769 -2.491 1.00 0.00 H new ATOM 643 N PRO A1228 21.806 3.580 2.772 1.00 0.00 N ATOM 644 CA PRO A1228 21.758 4.253 4.079 1.00 0.00 C ATOM 645 C PRO A1228 22.019 5.759 3.963 1.00 0.00 C ATOM 646 O PRO A1228 23.165 6.214 4.004 1.00 0.00 O ATOM 647 CB PRO A1228 22.874 3.571 4.882 1.00 0.00 C ATOM 648 CG PRO A1228 23.153 2.296 4.161 1.00 0.00 C ATOM 649 CD PRO A1228 22.885 2.580 2.715 1.00 0.00 C ATOM 0 HA PRO A1228 20.776 4.168 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A1228 23.764 4.199 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A1228 22.561 3.382 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A1228 24.185 1.978 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A1228 22.515 1.492 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A1228 23.769 2.968 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A1228 22.577 1.683 2.177 1.00 0.00 H new ATOM 657 N GLY A1229 20.947 6.520 3.792 1.00 0.00 N ATOM 658 CA GLY A1229 21.053 7.956 3.667 1.00 0.00 C ATOM 659 C GLY A1229 19.745 8.633 3.996 1.00 0.00 C ATOM 660 O GLY A1229 19.520 8.941 5.182 1.00 0.00 O ATOM 661 OXT GLY A1229 18.925 8.821 3.080 1.00 0.00 O ATOM 0 H GLY A1229 19.994 6.160 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A1229 21.833 8.325 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A1229 21.353 8.214 2.651 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.416 0.072 3.183 1.00 0.00 CA