USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=9 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 Set 1.1: A1212 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1217 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= 0.309 K(o=0.31,f=-4.3!) USER MOD Single : A1189 THR OG1 : rot 180:sc= 0 USER MOD Single : A1190 SER OG : rot 180:sc= 0.0477 USER MOD Single : A1192 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.3!) USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot 90:sc= -0.226 USER MOD Single : A1200 SER OG : rot 180:sc= 0 USER MOD Single : A1203 ASN : amide:sc= -0.637 K(o=-0.64,f=-5!) USER MOD Single : A1204 SER OG : rot -137:sc= 0.562 USER MOD Single : A1206 TYR OH : rot 180:sc= 0 USER MOD Single : A1218 SER OG : rot 77:sc= 1.04 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -19.566 -3.793 -7.999 1.00 0.00 N ATOM 2 CA GLY A1182 -18.201 -3.591 -8.425 1.00 0.00 C ATOM 3 C GLY A1182 -17.205 -4.079 -7.398 1.00 0.00 C ATOM 4 O GLY A1182 -16.719 -5.208 -7.479 1.00 0.00 O ATOM 0 HA2 GLY A1182 -18.035 -4.114 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -18.034 -2.531 -8.615 1.00 0.00 H new ATOM 10 N ALA A1183 -16.912 -3.229 -6.424 1.00 0.00 N ATOM 11 CA ALA A1183 -15.962 -3.551 -5.370 1.00 0.00 C ATOM 12 C ALA A1183 -16.277 -2.742 -4.123 1.00 0.00 C ATOM 13 O ALA A1183 -16.950 -1.711 -4.201 1.00 0.00 O ATOM 14 CB ALA A1183 -14.535 -3.274 -5.831 1.00 0.00 C ATOM 0 H ALA A1183 -17.325 -2.300 -6.343 1.00 0.00 H new ATOM 0 HA ALA A1183 -16.048 -4.612 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -13.839 -3.521 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -14.311 -3.883 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -14.434 -2.219 -6.087 1.00 0.00 H new ATOM 20 N MET A1184 -15.802 -3.214 -2.980 1.00 0.00 N ATOM 21 CA MET A1184 -15.988 -2.502 -1.723 1.00 0.00 C ATOM 22 C MET A1184 -14.999 -1.344 -1.621 1.00 0.00 C ATOM 23 O MET A1184 -13.789 -1.546 -1.476 1.00 0.00 O ATOM 24 CB MET A1184 -15.832 -3.457 -0.533 1.00 0.00 C ATOM 25 CG MET A1184 -15.654 -2.760 0.811 1.00 0.00 C ATOM 26 SD MET A1184 -17.209 -2.174 1.513 1.00 0.00 S ATOM 27 CE MET A1184 -16.598 -1.029 2.749 1.00 0.00 C ATOM 0 H MET A1184 -15.284 -4.089 -2.896 1.00 0.00 H new ATOM 0 HA MET A1184 -16.999 -2.095 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A1184 -16.710 -4.101 -0.482 1.00 0.00 H new ATOM 0 HB3 MET A1184 -14.972 -4.103 -0.711 1.00 0.00 H new ATOM 0 HG2 MET A1184 -15.182 -3.449 1.512 1.00 0.00 H new ATOM 0 HG3 MET A1184 -14.976 -1.915 0.689 1.00 0.00 H new ATOM 0 HE1 MET A1184 -17.440 -0.579 3.275 1.00 0.00 H new ATOM 0 HE2 MET A1184 -15.969 -1.564 3.461 1.00 0.00 H new ATOM 0 HE3 MET A1184 -16.013 -0.247 2.264 1.00 0.00 H new ATOM 37 N VAL A1185 -15.526 -0.135 -1.708 1.00 0.00 N ATOM 38 CA VAL A1185 -14.713 1.063 -1.642 1.00 0.00 C ATOM 39 C VAL A1185 -14.789 1.682 -0.258 1.00 0.00 C ATOM 40 O VAL A1185 -15.876 1.866 0.295 1.00 0.00 O ATOM 41 CB VAL A1185 -15.134 2.127 -2.683 1.00 0.00 C ATOM 42 CG1 VAL A1185 -14.011 2.369 -3.677 1.00 0.00 C ATOM 43 CG2 VAL A1185 -16.416 1.736 -3.408 1.00 0.00 C ATOM 0 H VAL A1185 -16.524 0.042 -1.826 1.00 0.00 H new ATOM 0 HA VAL A1185 -13.692 0.752 -1.865 1.00 0.00 H new ATOM 0 HB VAL A1185 -15.335 3.053 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -14.323 3.120 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -13.126 2.722 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -13.777 1.439 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -16.676 2.510 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -16.266 0.790 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -17.224 1.628 -2.685 1.00 0.00 H new ATOM 53 N LEU A1186 -13.632 1.982 0.304 1.00 0.00 N ATOM 54 CA LEU A1186 -13.558 2.670 1.581 1.00 0.00 C ATOM 55 C LEU A1186 -13.415 4.170 1.337 1.00 0.00 C ATOM 56 O LEU A1186 -13.447 4.620 0.188 1.00 0.00 O ATOM 57 CB LEU A1186 -12.375 2.144 2.402 1.00 0.00 C ATOM 58 CG LEU A1186 -12.602 0.796 3.093 1.00 0.00 C ATOM 59 CD1 LEU A1186 -12.125 -0.349 2.211 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.886 0.765 4.435 1.00 0.00 C ATOM 0 H LEU A1186 -12.725 1.759 -0.107 1.00 0.00 H new ATOM 0 HA LEU A1186 -14.471 2.484 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.510 2.055 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -12.124 2.885 3.161 1.00 0.00 H new ATOM 0 HG LEU A1186 -13.672 0.673 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -12.296 -1.297 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -12.677 -0.338 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -11.060 -0.233 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -12.055 -0.199 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -10.817 0.910 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -12.272 1.561 5.072 1.00 0.00 H new ATOM 72 N ASN A1187 -13.249 4.940 2.404 1.00 0.00 N ATOM 73 CA ASN A1187 -13.110 6.385 2.280 1.00 0.00 C ATOM 74 C ASN A1187 -11.664 6.777 1.976 1.00 0.00 C ATOM 75 O ASN A1187 -10.899 7.204 2.842 1.00 0.00 O ATOM 76 CB ASN A1187 -13.626 7.121 3.523 1.00 0.00 C ATOM 77 CG ASN A1187 -12.988 6.679 4.838 1.00 0.00 C ATOM 78 OD1 ASN A1187 -12.831 5.487 5.112 1.00 0.00 O ATOM 79 ND2 ASN A1187 -12.627 7.642 5.668 1.00 0.00 N ATOM 0 H ASN A1187 -13.207 4.590 3.361 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.731 6.694 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -13.454 8.190 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -14.704 6.977 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -12.204 7.409 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -12.771 8.618 5.410 1.00 0.00 H new ATOM 86 N CYS A1188 -11.309 6.613 0.722 1.00 0.00 N ATOM 87 CA CYS A1188 -9.978 6.936 0.229 1.00 0.00 C ATOM 88 C CYS A1188 -10.094 7.501 -1.173 1.00 0.00 C ATOM 89 O CYS A1188 -11.027 7.168 -1.905 1.00 0.00 O ATOM 90 CB CYS A1188 -9.071 5.696 0.206 1.00 0.00 C ATOM 91 SG CYS A1188 -9.743 4.240 1.079 1.00 0.00 S ATOM 0 H CYS A1188 -11.937 6.249 0.005 1.00 0.00 H new ATOM 0 HA CYS A1188 -9.531 7.669 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.878 5.423 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.111 5.957 0.650 1.00 0.00 H new ATOM 96 N THR A1189 -9.161 8.355 -1.544 1.00 0.00 N ATOM 97 CA THR A1189 -9.158 8.936 -2.870 1.00 0.00 C ATOM 98 C THR A1189 -8.256 8.112 -3.796 1.00 0.00 C ATOM 99 O THR A1189 -7.485 7.272 -3.328 1.00 0.00 O ATOM 100 CB THR A1189 -8.724 10.424 -2.820 1.00 0.00 C ATOM 101 OG1 THR A1189 -9.075 11.087 -4.040 1.00 0.00 O ATOM 102 CG2 THR A1189 -7.233 10.573 -2.567 1.00 0.00 C ATOM 0 H THR A1189 -8.395 8.662 -0.945 1.00 0.00 H new ATOM 0 HA THR A1189 -10.171 8.912 -3.272 1.00 0.00 H new ATOM 0 HB THR A1189 -9.254 10.887 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A1189 -8.797 12.026 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A1189 -6.973 11.631 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A1189 -6.978 10.112 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A1189 -6.678 10.083 -3.367 1.00 0.00 H new ATOM 110 N SER A1190 -8.355 8.346 -5.099 1.00 0.00 N ATOM 111 CA SER A1190 -7.594 7.578 -6.083 1.00 0.00 C ATOM 112 C SER A1190 -6.134 8.039 -6.144 1.00 0.00 C ATOM 113 O SER A1190 -5.294 7.396 -6.774 1.00 0.00 O ATOM 114 CB SER A1190 -8.261 7.697 -7.452 1.00 0.00 C ATOM 115 OG SER A1190 -9.624 8.069 -7.309 1.00 0.00 O ATOM 0 H SER A1190 -8.957 9.064 -5.502 1.00 0.00 H new ATOM 0 HA SER A1190 -7.589 6.531 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A1190 -7.737 8.438 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A1190 -8.191 6.747 -7.982 1.00 0.00 H new ATOM 0 HG SER A1190 -10.038 8.143 -8.194 1.00 0.00 H new ATOM 121 N ALA A1191 -5.842 9.157 -5.482 1.00 0.00 N ATOM 122 CA ALA A1191 -4.466 9.615 -5.317 1.00 0.00 C ATOM 123 C ALA A1191 -3.773 8.820 -4.210 1.00 0.00 C ATOM 124 O ALA A1191 -2.546 8.825 -4.095 1.00 0.00 O ATOM 125 CB ALA A1191 -4.433 11.102 -5.006 1.00 0.00 C ATOM 0 H ALA A1191 -6.541 9.762 -5.051 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.930 9.449 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.399 11.426 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.894 11.655 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.982 11.293 -4.084 1.00 0.00 H new ATOM 131 N GLN A1192 -4.578 8.137 -3.399 1.00 0.00 N ATOM 132 CA GLN A1192 -4.073 7.270 -2.347 1.00 0.00 C ATOM 133 C GLN A1192 -3.777 5.893 -2.928 1.00 0.00 C ATOM 134 O GLN A1192 -4.149 5.602 -4.066 1.00 0.00 O ATOM 135 CB GLN A1192 -5.090 7.182 -1.201 1.00 0.00 C ATOM 136 CG GLN A1192 -4.933 8.304 -0.188 1.00 0.00 C ATOM 137 CD GLN A1192 -6.094 8.400 0.774 1.00 0.00 C ATOM 138 OE1 GLN A1192 -6.581 7.398 1.289 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.543 9.615 1.025 1.00 0.00 N ATOM 0 H GLN A1192 -5.596 8.172 -3.456 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.149 7.683 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.099 7.209 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -4.978 6.223 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.013 8.150 0.376 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -4.828 9.251 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -6.110 10.422 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.323 9.748 1.668 1.00 0.00 H new ATOM 148 N PHE A1193 -3.110 5.047 -2.163 1.00 0.00 N ATOM 149 CA PHE A1193 -2.692 3.759 -2.676 1.00 0.00 C ATOM 150 C PHE A1193 -3.707 2.672 -2.351 1.00 0.00 C ATOM 151 O PHE A1193 -3.798 2.201 -1.217 1.00 0.00 O ATOM 152 CB PHE A1193 -1.316 3.369 -2.138 1.00 0.00 C ATOM 153 CG PHE A1193 -0.792 2.104 -2.757 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.492 2.055 -4.108 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.623 0.962 -1.995 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.029 0.892 -4.687 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.164 -0.204 -2.568 1.00 0.00 C ATOM 158 CZ PHE A1193 0.135 -0.241 -3.916 1.00 0.00 C ATOM 0 H PHE A1193 -2.849 5.228 -1.194 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.627 3.853 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.613 4.180 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.375 3.243 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.622 2.938 -4.716 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -0.853 0.985 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.205 0.868 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.038 -1.090 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.496 -1.154 -4.366 1.00 0.00 H new ATOM 168 N LYS A1194 -4.469 2.292 -3.359 1.00 0.00 N ATOM 169 CA LYS A1194 -5.356 1.149 -3.264 1.00 0.00 C ATOM 170 C LYS A1194 -4.539 -0.132 -3.386 1.00 0.00 C ATOM 171 O LYS A1194 -3.615 -0.209 -4.199 1.00 0.00 O ATOM 172 CB LYS A1194 -6.422 1.223 -4.356 1.00 0.00 C ATOM 173 CG LYS A1194 -7.697 0.465 -4.022 1.00 0.00 C ATOM 174 CD LYS A1194 -7.800 -0.794 -4.848 1.00 0.00 C ATOM 175 CE LYS A1194 -8.119 -0.495 -6.303 1.00 0.00 C ATOM 176 NZ LYS A1194 -7.312 -1.332 -7.227 1.00 0.00 N ATOM 0 H LYS A1194 -4.491 2.765 -4.263 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.861 1.153 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.669 2.269 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.007 0.827 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.709 0.212 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -8.563 1.100 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -6.861 -1.345 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.574 -1.438 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.179 -0.670 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -7.930 0.559 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -7.558 -1.099 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -6.301 -1.147 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -7.512 -2.337 -7.049 1.00 0.00 H new ATOM 190 N CYS A1195 -4.871 -1.115 -2.559 1.00 0.00 N ATOM 191 CA CYS A1195 -4.201 -2.393 -2.545 1.00 0.00 C ATOM 192 C CYS A1195 -4.409 -3.131 -3.867 1.00 0.00 C ATOM 193 O CYS A1195 -5.350 -2.833 -4.610 1.00 0.00 O ATOM 194 CB CYS A1195 -4.774 -3.204 -1.388 1.00 0.00 C ATOM 195 SG CYS A1195 -4.026 -2.849 0.234 1.00 0.00 S ATOM 0 H CYS A1195 -5.623 -1.039 -1.874 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.128 -2.251 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.846 -3.017 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -4.647 -4.264 -1.607 1.00 0.00 H new ATOM 200 N ALA A1196 -3.550 -4.104 -4.151 1.00 0.00 N ATOM 201 CA ALA A1196 -3.652 -4.876 -5.387 1.00 0.00 C ATOM 202 C ALA A1196 -4.889 -5.767 -5.366 1.00 0.00 C ATOM 203 O ALA A1196 -5.485 -6.054 -6.406 1.00 0.00 O ATOM 204 CB ALA A1196 -2.403 -5.717 -5.606 1.00 0.00 C ATOM 0 H ALA A1196 -2.777 -4.377 -3.545 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.744 -4.172 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.503 -6.283 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.532 -5.065 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.278 -6.407 -4.771 1.00 0.00 H new ATOM 210 N ASP A1197 -5.265 -6.202 -4.170 1.00 0.00 N ATOM 211 CA ASP A1197 -6.474 -6.991 -3.977 1.00 0.00 C ATOM 212 C ASP A1197 -7.679 -6.084 -3.709 1.00 0.00 C ATOM 213 O ASP A1197 -8.803 -6.561 -3.546 1.00 0.00 O ATOM 214 CB ASP A1197 -6.274 -7.957 -2.810 1.00 0.00 C ATOM 215 CG ASP A1197 -7.129 -9.206 -2.915 1.00 0.00 C ATOM 216 OD1 ASP A1197 -7.567 -9.555 -4.032 1.00 0.00 O ATOM 217 OD2 ASP A1197 -7.361 -9.850 -1.870 1.00 0.00 O ATOM 0 H ASP A1197 -4.744 -6.019 -3.312 1.00 0.00 H new ATOM 0 HA ASP A1197 -6.671 -7.557 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.224 -8.246 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -6.506 -7.443 -1.877 1.00 0.00 H new ATOM 222 N GLY A1198 -7.429 -4.772 -3.662 1.00 0.00 N ATOM 223 CA GLY A1198 -8.483 -3.795 -3.407 1.00 0.00 C ATOM 224 C GLY A1198 -9.098 -3.937 -2.029 1.00 0.00 C ATOM 225 O GLY A1198 -10.236 -3.529 -1.805 1.00 0.00 O ATOM 0 H GLY A1198 -6.504 -4.365 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.074 -2.790 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.263 -3.904 -4.160 1.00 0.00 H new ATOM 229 N SER A1199 -8.338 -4.521 -1.114 1.00 0.00 N ATOM 230 CA SER A1199 -8.797 -4.771 0.241 1.00 0.00 C ATOM 231 C SER A1199 -8.978 -3.468 1.007 1.00 0.00 C ATOM 232 O SER A1199 -10.004 -3.245 1.648 1.00 0.00 O ATOM 233 CB SER A1199 -7.783 -5.668 0.941 1.00 0.00 C ATOM 234 OG SER A1199 -6.676 -5.936 0.087 1.00 0.00 O ATOM 0 H SER A1199 -7.384 -4.835 -1.292 1.00 0.00 H new ATOM 0 HA SER A1199 -9.768 -5.266 0.208 1.00 0.00 H new ATOM 0 HB2 SER A1199 -7.435 -5.188 1.856 1.00 0.00 H new ATOM 0 HB3 SER A1199 -8.259 -6.604 1.233 1.00 0.00 H new ATOM 0 HG SER A1199 -5.988 -5.250 0.218 1.00 0.00 H new ATOM 240 N SER A1200 -7.977 -2.610 0.920 1.00 0.00 N ATOM 241 CA SER A1200 -8.014 -1.318 1.577 1.00 0.00 C ATOM 242 C SER A1200 -7.231 -0.301 0.757 1.00 0.00 C ATOM 243 O SER A1200 -6.587 -0.653 -0.235 1.00 0.00 O ATOM 244 CB SER A1200 -7.431 -1.425 2.992 1.00 0.00 C ATOM 245 OG SER A1200 -6.608 -2.577 3.129 1.00 0.00 O ATOM 0 H SER A1200 -7.121 -2.789 0.395 1.00 0.00 H new ATOM 0 HA SER A1200 -9.050 -0.988 1.655 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.848 -0.531 3.216 1.00 0.00 H new ATOM 0 HB3 SER A1200 -8.242 -1.467 3.719 1.00 0.00 H new ATOM 0 HG SER A1200 -6.250 -2.617 4.040 1.00 0.00 H new ATOM 251 N CYS A1201 -7.307 0.959 1.150 1.00 0.00 N ATOM 252 CA CYS A1201 -6.511 1.998 0.527 1.00 0.00 C ATOM 253 C CYS A1201 -5.749 2.762 1.595 1.00 0.00 C ATOM 254 O CYS A1201 -6.345 3.352 2.499 1.00 0.00 O ATOM 255 CB CYS A1201 -7.385 2.957 -0.284 1.00 0.00 C ATOM 256 SG CYS A1201 -9.175 2.686 -0.090 1.00 0.00 S ATOM 0 H CYS A1201 -7.915 1.286 1.901 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.807 1.528 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.150 3.980 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.127 2.861 -1.339 1.00 0.00 H new ATOM 261 N ILE A1202 -4.436 2.723 1.500 1.00 0.00 N ATOM 262 CA ILE A1202 -3.582 3.410 2.449 1.00 0.00 C ATOM 263 C ILE A1202 -3.082 4.714 1.848 1.00 0.00 C ATOM 264 O ILE A1202 -3.283 4.972 0.662 1.00 0.00 O ATOM 265 CB ILE A1202 -2.382 2.534 2.878 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.674 1.940 1.656 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.850 1.424 3.810 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.183 2.199 1.633 1.00 0.00 C ATOM 0 H ILE A1202 -3.933 2.219 0.770 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.176 3.620 3.338 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.669 3.165 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.848 0.864 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.120 2.354 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.997 0.813 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.307 1.862 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.581 0.801 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.251 1.749 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A1202 -0.000 3.274 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.276 1.761 2.519 1.00 0.00 H new ATOM 280 N ASN A1203 -2.450 5.538 2.663 1.00 0.00 N ATOM 281 CA ASN A1203 -1.918 6.802 2.187 1.00 0.00 C ATOM 282 C ASN A1203 -0.659 6.576 1.370 1.00 0.00 C ATOM 283 O ASN A1203 0.094 5.633 1.622 1.00 0.00 O ATOM 284 CB ASN A1203 -1.614 7.724 3.363 1.00 0.00 C ATOM 285 CG ASN A1203 -1.709 9.190 2.992 1.00 0.00 C ATOM 286 OD1 ASN A1203 -0.744 9.779 2.506 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.869 9.783 3.218 1.00 0.00 N ATOM 0 H ASN A1203 -2.293 5.356 3.654 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.668 7.272 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -2.309 7.513 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.613 7.512 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -2.991 10.769 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -3.642 9.254 3.623 1.00 0.00 H new ATOM 294 N SER A1204 -0.423 7.454 0.406 1.00 0.00 N ATOM 295 CA SER A1204 0.739 7.353 -0.463 1.00 0.00 C ATOM 296 C SER A1204 2.034 7.700 0.282 1.00 0.00 C ATOM 297 O SER A1204 3.130 7.483 -0.233 1.00 0.00 O ATOM 298 CB SER A1204 0.549 8.266 -1.673 1.00 0.00 C ATOM 299 OG SER A1204 -0.818 8.624 -1.825 1.00 0.00 O ATOM 0 H SER A1204 -1.027 8.251 0.205 1.00 0.00 H new ATOM 0 HA SER A1204 0.830 6.320 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.154 9.165 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.900 7.762 -2.573 1.00 0.00 H new ATOM 0 HG SER A1204 -1.069 8.563 -2.770 1.00 0.00 H new ATOM 305 N ARG A1205 1.906 8.218 1.507 1.00 0.00 N ATOM 306 CA ARG A1205 3.074 8.477 2.344 1.00 0.00 C ATOM 307 C ARG A1205 3.571 7.175 2.972 1.00 0.00 C ATOM 308 O ARG A1205 4.713 7.077 3.421 1.00 0.00 O ATOM 309 CB ARG A1205 2.753 9.513 3.429 1.00 0.00 C ATOM 310 CG ARG A1205 1.736 9.044 4.463 1.00 0.00 C ATOM 311 CD ARG A1205 1.507 10.080 5.554 1.00 0.00 C ATOM 312 NE ARG A1205 1.612 11.451 5.059 1.00 0.00 N ATOM 313 CZ ARG A1205 2.345 12.400 5.640 1.00 0.00 C ATOM 314 NH1 ARG A1205 3.047 12.135 6.737 1.00 0.00 N ATOM 315 NH2 ARG A1205 2.376 13.618 5.120 1.00 0.00 N ATOM 0 H ARG A1205 1.013 8.463 1.935 1.00 0.00 H new ATOM 0 HA ARG A1205 3.864 8.886 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.676 9.783 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.377 10.418 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.790 8.826 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A1205 2.081 8.114 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A1205 0.520 9.930 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.234 9.929 6.352 1.00 0.00 H new ATOM 0 HE ARG A1205 1.092 11.697 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A1205 3.028 11.199 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A1205 3.605 12.868 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A1205 1.840 13.827 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A1205 2.936 14.347 5.562 1.00 0.00 H new ATOM 329 N TYR A1206 2.706 6.168 2.964 1.00 0.00 N ATOM 330 CA TYR A1206 3.026 4.855 3.509 1.00 0.00 C ATOM 331 C TYR A1206 3.385 3.891 2.386 1.00 0.00 C ATOM 332 O TYR A1206 3.237 2.678 2.510 1.00 0.00 O ATOM 333 CB TYR A1206 1.836 4.315 4.290 1.00 0.00 C ATOM 334 CG TYR A1206 1.475 5.146 5.502 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.411 5.410 6.495 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.200 5.673 5.649 1.00 0.00 C ATOM 337 CE1 TYR A1206 2.085 6.174 7.599 1.00 0.00 C ATOM 338 CE2 TYR A1206 -0.134 6.437 6.751 1.00 0.00 C ATOM 339 CZ TYR A1206 0.812 6.686 7.721 1.00 0.00 C ATOM 340 OH TYR A1206 0.485 7.458 8.813 1.00 0.00 O ATOM 0 H TYR A1206 1.764 6.239 2.580 1.00 0.00 H new ATOM 0 HA TYR A1206 3.881 4.952 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.972 4.261 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A1206 2.055 3.297 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.410 5.011 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.544 5.483 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.824 6.369 8.362 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -1.132 6.837 6.851 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.451 7.741 8.745 1.00 0.00 H new ATOM 350 N ARG A1207 3.805 4.443 1.273 1.00 0.00 N ATOM 351 CA ARG A1207 4.316 3.642 0.176 1.00 0.00 C ATOM 352 C ARG A1207 5.826 3.452 0.331 1.00 0.00 C ATOM 353 O ARG A1207 6.595 4.411 0.206 1.00 0.00 O ATOM 354 CB ARG A1207 3.981 4.297 -1.165 1.00 0.00 C ATOM 355 CG ARG A1207 4.476 3.513 -2.369 1.00 0.00 C ATOM 356 CD ARG A1207 3.412 2.570 -2.911 1.00 0.00 C ATOM 357 NE ARG A1207 2.765 3.106 -4.111 1.00 0.00 N ATOM 358 CZ ARG A1207 3.155 2.831 -5.358 1.00 0.00 C ATOM 359 NH1 ARG A1207 4.241 2.107 -5.568 1.00 0.00 N ATOM 360 NH2 ARG A1207 2.480 3.313 -6.395 1.00 0.00 N ATOM 0 H ARG A1207 3.805 5.448 1.098 1.00 0.00 H new ATOM 0 HA ARG A1207 3.840 2.662 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.900 4.417 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.416 5.296 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.780 4.206 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.360 2.940 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A1207 3.866 1.606 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.660 2.391 -2.142 1.00 0.00 H new ATOM 0 HE ARG A1207 1.967 3.728 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A1207 4.782 1.758 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A1207 4.538 1.898 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A1207 1.658 3.897 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG A1207 2.783 3.099 -7.345 1.00 0.00 H new ATOM 374 N CYS A1208 6.218 2.208 0.624 1.00 0.00 N ATOM 375 CA CYS A1208 7.619 1.815 0.818 1.00 0.00 C ATOM 376 C CYS A1208 8.245 2.499 2.040 1.00 0.00 C ATOM 377 O CYS A1208 8.974 3.488 1.915 1.00 0.00 O ATOM 378 CB CYS A1208 8.447 2.083 -0.447 1.00 0.00 C ATOM 379 SG CYS A1208 8.076 0.951 -1.827 1.00 0.00 S ATOM 0 H CYS A1208 5.563 1.434 0.735 1.00 0.00 H new ATOM 0 HA CYS A1208 7.628 0.742 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.272 3.108 -0.774 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.506 2.004 -0.200 1.00 0.00 H new ATOM 384 N ASP A1209 7.947 1.966 3.225 1.00 0.00 N ATOM 385 CA ASP A1209 8.537 2.467 4.463 1.00 0.00 C ATOM 386 C ASP A1209 9.271 1.353 5.210 1.00 0.00 C ATOM 387 O ASP A1209 10.423 1.534 5.608 1.00 0.00 O ATOM 388 CB ASP A1209 7.485 3.129 5.375 1.00 0.00 C ATOM 389 CG ASP A1209 6.194 2.345 5.492 1.00 0.00 C ATOM 390 OD1 ASP A1209 6.089 1.467 6.376 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.270 2.601 4.699 1.00 0.00 O ATOM 0 H ASP A1209 7.300 1.187 3.352 1.00 0.00 H new ATOM 0 HA ASP A1209 9.261 3.234 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.911 3.259 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A1209 7.261 4.124 4.992 1.00 0.00 H new ATOM 396 N GLY A1210 8.622 0.205 5.384 1.00 0.00 N ATOM 397 CA GLY A1210 9.239 -0.905 6.086 1.00 0.00 C ATOM 398 C GLY A1210 8.229 -1.916 6.602 1.00 0.00 C ATOM 399 O GLY A1210 8.504 -3.116 6.626 1.00 0.00 O ATOM 0 H GLY A1210 7.676 0.024 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A1210 9.938 -1.407 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.820 -0.520 6.924 1.00 0.00 H new ATOM 403 N VAL A1211 7.054 -1.437 6.997 1.00 0.00 N ATOM 404 CA VAL A1211 6.022 -2.303 7.566 1.00 0.00 C ATOM 405 C VAL A1211 4.823 -2.392 6.627 1.00 0.00 C ATOM 406 O VAL A1211 4.275 -1.368 6.229 1.00 0.00 O ATOM 407 CB VAL A1211 5.557 -1.793 8.950 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.491 -2.704 9.544 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.737 -1.670 9.899 1.00 0.00 C ATOM 0 H VAL A1211 6.790 -0.454 6.934 1.00 0.00 H new ATOM 0 HA VAL A1211 6.459 -3.294 7.692 1.00 0.00 H new ATOM 0 HB VAL A1211 5.117 -0.806 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.184 -2.319 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A1211 3.628 -2.737 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A1211 4.896 -3.709 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A1211 6.389 -1.310 10.867 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.208 -2.645 10.022 1.00 0.00 H new ATOM 0 HG23 VAL A1211 7.462 -0.967 9.489 1.00 0.00 H new ATOM 419 N TYR A1212 4.422 -3.620 6.292 1.00 0.00 N ATOM 420 CA TYR A1212 3.331 -3.860 5.344 1.00 0.00 C ATOM 421 C TYR A1212 2.018 -3.219 5.793 1.00 0.00 C ATOM 422 O TYR A1212 1.523 -3.468 6.892 1.00 0.00 O ATOM 423 CB TYR A1212 3.131 -5.359 5.137 1.00 0.00 C ATOM 424 CG TYR A1212 4.090 -5.961 4.138 1.00 0.00 C ATOM 425 CD1 TYR A1212 4.474 -5.262 3.000 1.00 0.00 C ATOM 426 CD2 TYR A1212 4.607 -7.234 4.331 1.00 0.00 C ATOM 427 CE1 TYR A1212 5.347 -5.815 2.087 1.00 0.00 C ATOM 428 CE2 TYR A1212 5.479 -7.793 3.417 1.00 0.00 C ATOM 429 CZ TYR A1212 5.845 -7.078 2.298 1.00 0.00 C ATOM 430 OH TYR A1212 6.710 -7.634 1.382 1.00 0.00 O ATOM 0 H TYR A1212 4.841 -4.471 6.667 1.00 0.00 H new ATOM 0 HA TYR A1212 3.618 -3.393 4.402 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.247 -5.869 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.109 -5.539 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.083 -4.270 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A1212 4.324 -7.796 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A1212 5.638 -5.257 1.209 1.00 0.00 H new ATOM 0 HE2 TYR A1212 5.872 -8.786 3.579 1.00 0.00 H new ATOM 0 HH TYR A1212 6.970 -8.531 1.680 1.00 0.00 H new ATOM 440 N ASP A1213 1.473 -2.391 4.917 1.00 0.00 N ATOM 441 CA ASP A1213 0.232 -1.676 5.173 1.00 0.00 C ATOM 442 C ASP A1213 -0.910 -2.319 4.407 1.00 0.00 C ATOM 443 O ASP A1213 -2.038 -2.376 4.887 1.00 0.00 O ATOM 444 CB ASP A1213 0.358 -0.211 4.743 1.00 0.00 C ATOM 445 CG ASP A1213 0.761 0.707 5.875 1.00 0.00 C ATOM 446 OD1 ASP A1213 -0.097 1.033 6.719 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.942 1.115 5.907 1.00 0.00 O ATOM 0 H ASP A1213 1.881 -2.194 4.003 1.00 0.00 H new ATOM 0 HA ASP A1213 0.028 -1.722 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A1213 1.094 -0.136 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.595 0.124 4.333 1.00 0.00 H new ATOM 452 N CYS A1214 -0.605 -2.805 3.212 1.00 0.00 N ATOM 453 CA CYS A1214 -1.609 -3.412 2.357 1.00 0.00 C ATOM 454 C CYS A1214 -1.921 -4.824 2.826 1.00 0.00 C ATOM 455 O CYS A1214 -1.071 -5.492 3.419 1.00 0.00 O ATOM 456 CB CYS A1214 -1.132 -3.429 0.902 1.00 0.00 C ATOM 457 SG CYS A1214 -2.107 -2.367 -0.210 1.00 0.00 S ATOM 0 H CYS A1214 0.334 -2.789 2.814 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.520 -2.816 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.090 -3.112 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.166 -4.453 0.531 1.00 0.00 H new ATOM 462 N ARG A1215 -3.140 -5.278 2.557 1.00 0.00 N ATOM 463 CA ARG A1215 -3.574 -6.603 2.982 1.00 0.00 C ATOM 464 C ARG A1215 -3.012 -7.684 2.066 1.00 0.00 C ATOM 465 O ARG A1215 -3.174 -8.877 2.325 1.00 0.00 O ATOM 466 CB ARG A1215 -5.099 -6.679 3.030 1.00 0.00 C ATOM 467 CG ARG A1215 -5.696 -6.036 4.271 1.00 0.00 C ATOM 468 CD ARG A1215 -7.129 -6.483 4.505 1.00 0.00 C ATOM 469 NE ARG A1215 -7.738 -5.764 5.621 1.00 0.00 N ATOM 470 CZ ARG A1215 -9.011 -5.366 5.661 1.00 0.00 C ATOM 471 NH1 ARG A1215 -9.838 -5.638 4.655 1.00 0.00 N ATOM 472 NH2 ARG A1215 -9.463 -4.701 6.716 1.00 0.00 N ATOM 0 H ARG A1215 -3.845 -4.747 2.046 1.00 0.00 H new ATOM 0 HA ARG A1215 -3.187 -6.778 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -5.508 -6.192 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -5.405 -7.724 2.988 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.089 -6.291 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.666 -4.951 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -7.715 -6.318 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -7.149 -7.554 4.706 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.149 -5.551 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -9.501 -6.155 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -10.809 -5.329 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -8.838 -4.495 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -10.436 -4.396 6.748 1.00 0.00 H new ATOM 486 N ASP A1216 -2.361 -7.262 0.987 1.00 0.00 N ATOM 487 CA ASP A1216 -1.600 -8.169 0.158 1.00 0.00 C ATOM 488 C ASP A1216 -0.129 -8.047 0.543 1.00 0.00 C ATOM 489 O ASP A1216 0.343 -8.789 1.406 1.00 0.00 O ATOM 490 CB ASP A1216 -1.818 -7.886 -1.341 1.00 0.00 C ATOM 491 CG ASP A1216 -2.179 -6.442 -1.644 1.00 0.00 C ATOM 492 OD1 ASP A1216 -1.264 -5.594 -1.656 1.00 0.00 O ATOM 493 OD2 ASP A1216 -3.370 -6.155 -1.871 1.00 0.00 O ATOM 0 H ASP A1216 -2.350 -6.292 0.671 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.940 -9.191 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -0.911 -8.147 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -2.611 -8.535 -1.713 1.00 0.00 H new ATOM 498 N ASN A1217 0.563 -7.082 -0.077 1.00 0.00 N ATOM 499 CA ASN A1217 1.965 -6.751 0.237 1.00 0.00 C ATOM 500 C ASN A1217 2.502 -5.717 -0.754 1.00 0.00 C ATOM 501 O ASN A1217 3.690 -5.394 -0.750 1.00 0.00 O ATOM 502 CB ASN A1217 2.878 -8.001 0.230 1.00 0.00 C ATOM 503 CG ASN A1217 3.209 -8.533 -1.158 1.00 0.00 C ATOM 504 OD1 ASN A1217 4.377 -8.657 -1.519 1.00 0.00 O ATOM 505 ND2 ASN A1217 2.190 -8.869 -1.934 1.00 0.00 N ATOM 0 H ASN A1217 0.165 -6.503 -0.817 1.00 0.00 H new ATOM 0 HA ASN A1217 1.977 -6.336 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A1217 3.808 -7.759 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A1217 2.394 -8.792 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A1217 2.361 -9.245 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A1217 1.234 -8.752 -1.599 1.00 0.00 H new ATOM 512 N SER A1218 1.608 -5.159 -1.569 1.00 0.00 N ATOM 513 CA SER A1218 2.016 -4.351 -2.718 1.00 0.00 C ATOM 514 C SER A1218 2.349 -2.905 -2.347 1.00 0.00 C ATOM 515 O SER A1218 2.736 -2.113 -3.208 1.00 0.00 O ATOM 516 CB SER A1218 0.921 -4.386 -3.778 1.00 0.00 C ATOM 517 OG SER A1218 0.380 -5.690 -3.882 1.00 0.00 O ATOM 0 H SER A1218 0.599 -5.251 -1.456 1.00 0.00 H new ATOM 0 HA SER A1218 2.935 -4.787 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A1218 0.134 -3.678 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A1218 1.327 -4.075 -4.741 1.00 0.00 H new ATOM 0 HG SER A1218 -0.224 -5.854 -3.128 1.00 0.00 H new ATOM 523 N ASP A1219 2.218 -2.563 -1.072 1.00 0.00 N ATOM 524 CA ASP A1219 2.566 -1.228 -0.606 1.00 0.00 C ATOM 525 C ASP A1219 4.076 -1.082 -0.498 1.00 0.00 C ATOM 526 O ASP A1219 4.617 0.007 -0.674 1.00 0.00 O ATOM 527 CB ASP A1219 1.911 -0.930 0.746 1.00 0.00 C ATOM 528 CG ASP A1219 2.324 -1.901 1.837 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.944 -3.093 1.747 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.995 -1.486 2.787 1.00 0.00 O ATOM 0 H ASP A1219 1.874 -3.190 -0.344 1.00 0.00 H new ATOM 0 HA ASP A1219 2.191 -0.509 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.171 0.083 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.827 -0.961 0.632 1.00 0.00 H new ATOM 535 N GLU A1220 4.750 -2.192 -0.223 1.00 0.00 N ATOM 536 CA GLU A1220 6.195 -2.189 -0.082 1.00 0.00 C ATOM 537 C GLU A1220 6.857 -2.962 -1.211 1.00 0.00 C ATOM 538 O GLU A1220 7.965 -2.631 -1.633 1.00 0.00 O ATOM 539 CB GLU A1220 6.589 -2.784 1.262 1.00 0.00 C ATOM 540 CG GLU A1220 7.338 -1.813 2.150 1.00 0.00 C ATOM 541 CD GLU A1220 6.411 -0.908 2.928 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.680 -0.108 2.317 1.00 0.00 O ATOM 543 OE2 GLU A1220 6.406 -0.975 4.161 1.00 0.00 O ATOM 0 H GLU A1220 4.315 -3.106 -0.094 1.00 0.00 H new ATOM 0 HA GLU A1220 6.540 -1.156 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.691 -3.121 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.209 -3.665 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A1220 7.964 -2.371 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.005 -1.206 1.538 1.00 0.00 H new ATOM 550 N ALA A1221 6.179 -3.994 -1.701 1.00 0.00 N ATOM 551 CA ALA A1221 6.691 -4.779 -2.817 1.00 0.00 C ATOM 552 C ALA A1221 6.409 -4.081 -4.142 1.00 0.00 C ATOM 553 O ALA A1221 6.957 -4.451 -5.178 1.00 0.00 O ATOM 554 CB ALA A1221 6.092 -6.174 -2.812 1.00 0.00 C ATOM 0 H ALA A1221 5.276 -4.306 -1.344 1.00 0.00 H new ATOM 0 HA ALA A1221 7.771 -4.869 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A1221 6.488 -6.743 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A1221 6.350 -6.677 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A1221 5.008 -6.105 -2.899 1.00 0.00 H new ATOM 560 N GLY A1222 5.571 -3.050 -4.094 1.00 0.00 N ATOM 561 CA GLY A1222 5.245 -2.288 -5.284 1.00 0.00 C ATOM 562 C GLY A1222 6.203 -1.134 -5.509 1.00 0.00 C ATOM 563 O GLY A1222 5.881 -0.184 -6.221 1.00 0.00 O ATOM 0 H GLY A1222 5.109 -2.727 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A1222 5.264 -2.948 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A1222 4.229 -1.903 -5.199 1.00 0.00 H new ATOM 567 N CYS A1223 7.375 -1.219 -4.891 1.00 0.00 N ATOM 568 CA CYS A1223 8.424 -0.224 -5.065 1.00 0.00 C ATOM 569 C CYS A1223 8.967 -0.275 -6.494 1.00 0.00 C ATOM 570 O CYS A1223 8.937 -1.334 -7.128 1.00 0.00 O ATOM 571 CB CYS A1223 9.554 -0.482 -4.064 1.00 0.00 C ATOM 572 SG CYS A1223 9.816 0.870 -2.867 1.00 0.00 S ATOM 0 H CYS A1223 7.624 -1.978 -4.257 1.00 0.00 H new ATOM 0 HA CYS A1223 8.007 0.767 -4.885 1.00 0.00 H new ATOM 0 HB2 CYS A1223 9.337 -1.400 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A1223 10.480 -0.650 -4.614 1.00 0.00 H new ATOM 577 N PRO A1224 9.443 0.866 -7.033 1.00 0.00 N ATOM 578 CA PRO A1224 9.985 0.932 -8.395 1.00 0.00 C ATOM 579 C PRO A1224 11.174 -0.006 -8.593 1.00 0.00 C ATOM 580 O PRO A1224 12.167 0.062 -7.865 1.00 0.00 O ATOM 581 CB PRO A1224 10.421 2.393 -8.556 1.00 0.00 C ATOM 582 CG PRO A1224 10.504 2.935 -7.171 1.00 0.00 C ATOM 583 CD PRO A1224 9.489 2.177 -6.368 1.00 0.00 C ATOM 0 HA PRO A1224 9.247 0.619 -9.133 1.00 0.00 H new ATOM 0 HB2 PRO A1224 11.383 2.462 -9.064 1.00 0.00 H new ATOM 0 HB3 PRO A1224 9.703 2.954 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A1224 11.505 2.803 -6.760 1.00 0.00 H new ATOM 0 HG3 PRO A1224 10.293 4.004 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A1224 9.787 2.088 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A1224 8.517 2.669 -6.381 1.00 0.00 H new ATOM 591 N THR A1225 11.045 -0.894 -9.568 1.00 0.00 N ATOM 592 CA THR A1225 12.083 -1.860 -9.877 1.00 0.00 C ATOM 593 C THR A1225 13.297 -1.175 -10.491 1.00 0.00 C ATOM 594 O THR A1225 13.191 -0.500 -11.517 1.00 0.00 O ATOM 595 CB THR A1225 11.548 -2.932 -10.838 1.00 0.00 C ATOM 596 OG1 THR A1225 10.162 -2.673 -11.125 1.00 0.00 O ATOM 597 CG2 THR A1225 11.699 -4.320 -10.236 1.00 0.00 C ATOM 0 H THR A1225 10.220 -0.963 -10.164 1.00 0.00 H new ATOM 0 HA THR A1225 12.387 -2.337 -8.945 1.00 0.00 H new ATOM 0 HB THR A1225 12.127 -2.893 -11.761 1.00 0.00 H new ATOM 0 HG1 THR A1225 9.822 -3.356 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A1225 11.314 -5.063 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A1225 12.753 -4.519 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A1225 11.139 -4.374 -9.302 1.00 0.00 H new ATOM 605 N ARG A1226 14.438 -1.327 -9.840 1.00 0.00 N ATOM 606 CA ARG A1226 15.670 -0.712 -10.311 1.00 0.00 C ATOM 607 C ARG A1226 16.321 -1.602 -11.362 1.00 0.00 C ATOM 608 O ARG A1226 16.504 -2.798 -11.132 1.00 0.00 O ATOM 609 CB ARG A1226 16.655 -0.450 -9.154 1.00 0.00 C ATOM 610 CG ARG A1226 16.139 -0.837 -7.771 1.00 0.00 C ATOM 611 CD ARG A1226 15.415 0.313 -7.076 1.00 0.00 C ATOM 612 NE ARG A1226 15.858 1.629 -7.543 1.00 0.00 N ATOM 613 CZ ARG A1226 15.209 2.768 -7.294 1.00 0.00 C ATOM 614 NH1 ARG A1226 14.096 2.767 -6.566 1.00 0.00 N ATOM 615 NH2 ARG A1226 15.683 3.911 -7.771 1.00 0.00 N ATOM 0 H ARG A1226 14.538 -1.871 -8.983 1.00 0.00 H new ATOM 0 HA ARG A1226 15.417 0.252 -10.753 1.00 0.00 H new ATOM 0 HB2 ARG A1226 17.576 -0.999 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A1226 16.911 0.609 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A1226 15.462 -1.686 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A1226 16.975 -1.163 -7.152 1.00 0.00 H new ATOM 0 HD2 ARG A1226 14.342 0.215 -7.244 1.00 0.00 H new ATOM 0 HD3 ARG A1226 15.577 0.241 -6.001 1.00 0.00 H new ATOM 0 HE ARG A1226 16.716 1.678 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A1226 13.732 1.891 -6.193 1.00 0.00 H new ATOM 0 HH12 ARG A1226 13.607 3.643 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A1226 16.539 3.916 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A1226 15.191 4.785 -7.584 1.00 0.00 H new ATOM 629 N PRO A1227 16.650 -1.031 -12.538 1.00 0.00 N ATOM 630 CA PRO A1227 17.261 -1.777 -13.645 1.00 0.00 C ATOM 631 C PRO A1227 18.623 -2.367 -13.276 1.00 0.00 C ATOM 632 O PRO A1227 19.540 -1.641 -12.878 1.00 0.00 O ATOM 633 CB PRO A1227 17.408 -0.733 -14.759 1.00 0.00 C ATOM 634 CG PRO A1227 17.331 0.588 -14.077 1.00 0.00 C ATOM 635 CD PRO A1227 16.443 0.388 -12.882 1.00 0.00 C ATOM 0 HA PRO A1227 16.652 -2.634 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A1227 18.356 -0.849 -15.284 1.00 0.00 H new ATOM 0 HB3 PRO A1227 16.618 -0.838 -15.502 1.00 0.00 H new ATOM 0 HG2 PRO A1227 18.321 0.929 -13.774 1.00 0.00 H new ATOM 0 HG3 PRO A1227 16.922 1.348 -14.743 1.00 0.00 H new ATOM 0 HD2 PRO A1227 16.722 1.046 -12.059 1.00 0.00 H new ATOM 0 HD3 PRO A1227 15.399 0.597 -13.117 1.00 0.00 H new ATOM 643 N PRO A1228 18.759 -3.698 -13.375 1.00 0.00 N ATOM 644 CA PRO A1228 20.006 -4.397 -13.070 1.00 0.00 C ATOM 645 C PRO A1228 21.050 -4.224 -14.170 1.00 0.00 C ATOM 646 O PRO A1228 20.721 -4.221 -15.361 1.00 0.00 O ATOM 647 CB PRO A1228 19.586 -5.873 -12.964 1.00 0.00 C ATOM 648 CG PRO A1228 18.095 -5.879 -13.021 1.00 0.00 C ATOM 649 CD PRO A1228 17.705 -4.641 -13.768 1.00 0.00 C ATOM 0 HA PRO A1228 20.472 -4.009 -12.164 1.00 0.00 H new ATOM 0 HB2 PRO A1228 20.010 -6.459 -13.779 1.00 0.00 H new ATOM 0 HB3 PRO A1228 19.943 -6.315 -12.034 1.00 0.00 H new ATOM 0 HG2 PRO A1228 17.728 -6.772 -13.527 1.00 0.00 H new ATOM 0 HG3 PRO A1228 17.666 -5.881 -12.019 1.00 0.00 H new ATOM 0 HD2 PRO A1228 17.686 -4.804 -14.845 1.00 0.00 H new ATOM 0 HD3 PRO A1228 16.715 -4.287 -13.482 1.00 0.00 H new ATOM 657 N GLY A1229 22.302 -4.078 -13.767 1.00 0.00 N ATOM 658 CA GLY A1229 23.379 -3.914 -14.719 1.00 0.00 C ATOM 659 C GLY A1229 24.656 -3.477 -14.043 1.00 0.00 C ATOM 660 O GLY A1229 24.585 -2.645 -13.113 1.00 0.00 O ATOM 661 OXT GLY A1229 25.738 -3.963 -14.427 1.00 0.00 O ATOM 0 H GLY A1229 22.593 -4.070 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A1229 23.548 -4.854 -15.244 1.00 0.00 H new ATOM 0 HA3 GLY A1229 23.093 -3.177 -15.469 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.821 0.464 4.143 1.00 0.00 CA