USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1189 THR OG1 : rot 180:sc= 0.00135 USER MOD Single : A1190 SER OG : rot 180:sc= 0.0617 USER MOD Single : A1192 GLN : amide:sc= 0.105 K(o=0.11,f=-7.4!) USER MOD Single : A1194 LYS NZ :NH3+ 146:sc= -0.31 (180deg=-1.28!) USER MOD Single : A1199 SER OG : rot -91:sc= 1.32 USER MOD Single : A1200 SER OG : rot 53:sc= 0.0145 USER MOD Single : A1203 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A1204 SER OG : rot 101:sc= 0.873 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 :FLIP amide:sc= -0.0435 F(o=-1.5,f=-0.044) USER MOD Single : A1218 SER OG : rot 76:sc= 0.796 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -13.378 -10.325 7.204 1.00 0.00 N ATOM 2 CA GLY A1182 -14.014 -10.544 5.926 1.00 0.00 C ATOM 3 C GLY A1182 -13.657 -9.466 4.929 1.00 0.00 C ATOM 4 O GLY A1182 -12.961 -8.507 5.269 1.00 0.00 O ATOM 0 HA2 GLY A1182 -13.715 -11.516 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -15.096 -10.573 6.058 1.00 0.00 H new ATOM 10 N ALA A1183 -14.135 -9.611 3.702 1.00 0.00 N ATOM 11 CA ALA A1183 -13.847 -8.649 2.650 1.00 0.00 C ATOM 12 C ALA A1183 -14.814 -7.474 2.712 1.00 0.00 C ATOM 13 O ALA A1183 -16.025 -7.658 2.861 1.00 0.00 O ATOM 14 CB ALA A1183 -13.910 -9.313 1.286 1.00 0.00 C ATOM 0 H ALA A1183 -14.726 -10.389 3.410 1.00 0.00 H new ATOM 0 HA ALA A1183 -12.837 -8.271 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -13.692 -8.577 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -13.176 -10.118 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -14.908 -9.722 1.126 1.00 0.00 H new ATOM 20 N MET A1184 -14.270 -6.271 2.608 1.00 0.00 N ATOM 21 CA MET A1184 -15.077 -5.059 2.620 1.00 0.00 C ATOM 22 C MET A1184 -14.558 -4.083 1.577 1.00 0.00 C ATOM 23 O MET A1184 -13.366 -4.084 1.260 1.00 0.00 O ATOM 24 CB MET A1184 -15.048 -4.408 4.005 1.00 0.00 C ATOM 25 CG MET A1184 -16.355 -4.544 4.768 1.00 0.00 C ATOM 26 SD MET A1184 -16.808 -3.038 5.650 1.00 0.00 S ATOM 27 CE MET A1184 -18.585 -3.240 5.756 1.00 0.00 C ATOM 0 H MET A1184 -13.268 -6.107 2.514 1.00 0.00 H new ATOM 0 HA MET A1184 -16.107 -5.324 2.383 1.00 0.00 H new ATOM 0 HB2 MET A1184 -14.246 -4.857 4.591 1.00 0.00 H new ATOM 0 HB3 MET A1184 -14.809 -3.350 3.895 1.00 0.00 H new ATOM 0 HG2 MET A1184 -17.152 -4.805 4.072 1.00 0.00 H new ATOM 0 HG3 MET A1184 -16.271 -5.365 5.480 1.00 0.00 H new ATOM 0 HE1 MET A1184 -19.018 -2.386 6.277 1.00 0.00 H new ATOM 0 HE2 MET A1184 -19.005 -3.303 4.752 1.00 0.00 H new ATOM 0 HE3 MET A1184 -18.815 -4.154 6.303 1.00 0.00 H new ATOM 37 N VAL A1185 -15.447 -3.264 1.033 1.00 0.00 N ATOM 38 CA VAL A1185 -15.051 -2.265 0.049 1.00 0.00 C ATOM 39 C VAL A1185 -14.702 -0.958 0.741 1.00 0.00 C ATOM 40 O VAL A1185 -15.564 -0.310 1.338 1.00 0.00 O ATOM 41 CB VAL A1185 -16.138 -1.978 -1.013 1.00 0.00 C ATOM 42 CG1 VAL A1185 -15.511 -1.815 -2.389 1.00 0.00 C ATOM 43 CG2 VAL A1185 -17.204 -3.062 -1.043 1.00 0.00 C ATOM 0 H VAL A1185 -16.443 -3.271 1.254 1.00 0.00 H new ATOM 0 HA VAL A1185 -14.186 -2.683 -0.466 1.00 0.00 H new ATOM 0 HB VAL A1185 -16.626 -1.045 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -16.291 -1.614 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -14.806 -0.984 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -14.985 -2.731 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -17.947 -2.820 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -16.742 -4.020 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -17.688 -3.123 -0.068 1.00 0.00 H new ATOM 53 N LEU A1186 -13.438 -0.589 0.668 1.00 0.00 N ATOM 54 CA LEU A1186 -12.965 0.652 1.250 1.00 0.00 C ATOM 55 C LEU A1186 -12.979 1.759 0.206 1.00 0.00 C ATOM 56 O LEU A1186 -12.521 1.566 -0.922 1.00 0.00 O ATOM 57 CB LEU A1186 -11.554 0.477 1.813 1.00 0.00 C ATOM 58 CG LEU A1186 -11.395 0.889 3.275 1.00 0.00 C ATOM 59 CD1 LEU A1186 -10.973 -0.298 4.123 1.00 0.00 C ATOM 60 CD2 LEU A1186 -10.392 2.026 3.404 1.00 0.00 C ATOM 0 H LEU A1186 -12.713 -1.138 0.206 1.00 0.00 H new ATOM 0 HA LEU A1186 -13.632 0.928 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.264 -0.569 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.861 1.061 1.208 1.00 0.00 H new ATOM 0 HG LEU A1186 -12.360 1.241 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -10.865 0.016 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.730 -1.080 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.020 -0.684 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -10.292 2.306 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -9.424 1.703 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -10.740 2.885 2.831 1.00 0.00 H new ATOM 72 N ASN A1187 -13.512 2.910 0.579 1.00 0.00 N ATOM 73 CA ASN A1187 -13.586 4.036 -0.333 1.00 0.00 C ATOM 74 C ASN A1187 -12.401 4.961 -0.121 1.00 0.00 C ATOM 75 O ASN A1187 -12.180 5.479 0.975 1.00 0.00 O ATOM 76 CB ASN A1187 -14.910 4.784 -0.164 1.00 0.00 C ATOM 77 CG ASN A1187 -14.892 6.192 -0.739 1.00 0.00 C ATOM 78 OD1 ASN A1187 -14.783 7.176 -0.004 1.00 0.00 O ATOM 79 ND2 ASN A1187 -15.009 6.299 -2.053 1.00 0.00 N ATOM 0 H ASN A1187 -13.899 3.088 1.506 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.547 3.661 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -15.704 4.214 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -15.155 4.837 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -15.011 7.220 -2.492 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -15.097 5.461 -2.627 1.00 0.00 H new ATOM 86 N CYS A1188 -11.638 5.134 -1.177 1.00 0.00 N ATOM 87 CA CYS A1188 -10.452 5.961 -1.153 1.00 0.00 C ATOM 88 C CYS A1188 -10.505 6.986 -2.275 1.00 0.00 C ATOM 89 O CYS A1188 -11.372 6.915 -3.150 1.00 0.00 O ATOM 90 CB CYS A1188 -9.213 5.083 -1.303 1.00 0.00 C ATOM 91 SG CYS A1188 -9.552 3.422 -1.979 1.00 0.00 S ATOM 0 H CYS A1188 -11.824 4.702 -2.082 1.00 0.00 H new ATOM 0 HA CYS A1188 -10.404 6.489 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.499 5.589 -1.953 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.737 4.976 -0.328 1.00 0.00 H new ATOM 96 N THR A1189 -9.592 7.941 -2.241 1.00 0.00 N ATOM 97 CA THR A1189 -9.488 8.936 -3.288 1.00 0.00 C ATOM 98 C THR A1189 -8.338 8.580 -4.236 1.00 0.00 C ATOM 99 O THR A1189 -7.552 7.669 -3.953 1.00 0.00 O ATOM 100 CB THR A1189 -9.303 10.358 -2.695 1.00 0.00 C ATOM 101 OG1 THR A1189 -9.561 11.352 -3.696 1.00 0.00 O ATOM 102 CG2 THR A1189 -7.907 10.562 -2.118 1.00 0.00 C ATOM 0 H THR A1189 -8.908 8.046 -1.492 1.00 0.00 H new ATOM 0 HA THR A1189 -10.419 8.940 -3.855 1.00 0.00 H new ATOM 0 HB THR A1189 -10.019 10.462 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A1189 -9.443 12.244 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A1189 -7.824 11.571 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.733 9.838 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A1189 -7.165 10.423 -2.904 1.00 0.00 H new ATOM 110 N SER A1190 -8.244 9.295 -5.353 1.00 0.00 N ATOM 111 CA SER A1190 -7.220 9.038 -6.364 1.00 0.00 C ATOM 112 C SER A1190 -5.816 9.420 -5.875 1.00 0.00 C ATOM 113 O SER A1190 -4.814 9.021 -6.467 1.00 0.00 O ATOM 114 CB SER A1190 -7.559 9.810 -7.640 1.00 0.00 C ATOM 115 OG SER A1190 -8.960 10.024 -7.746 1.00 0.00 O ATOM 0 H SER A1190 -8.871 10.065 -5.584 1.00 0.00 H new ATOM 0 HA SER A1190 -7.211 7.967 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A1190 -7.040 10.768 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.205 9.257 -8.510 1.00 0.00 H new ATOM 0 HG SER A1190 -9.154 10.521 -8.568 1.00 0.00 H new ATOM 121 N ALA A1191 -5.749 10.185 -4.790 1.00 0.00 N ATOM 122 CA ALA A1191 -4.472 10.606 -4.226 1.00 0.00 C ATOM 123 C ALA A1191 -3.983 9.631 -3.153 1.00 0.00 C ATOM 124 O ALA A1191 -2.947 9.855 -2.524 1.00 0.00 O ATOM 125 CB ALA A1191 -4.595 12.009 -3.657 1.00 0.00 C ATOM 0 H ALA A1191 -6.566 10.526 -4.283 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.732 10.609 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.637 12.317 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.882 12.699 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.354 12.019 -2.875 1.00 0.00 H new ATOM 131 N GLN A1192 -4.741 8.559 -2.942 1.00 0.00 N ATOM 132 CA GLN A1192 -4.367 7.519 -2.000 1.00 0.00 C ATOM 133 C GLN A1192 -3.912 6.263 -2.737 1.00 0.00 C ATOM 134 O GLN A1192 -3.975 6.202 -3.965 1.00 0.00 O ATOM 135 CB GLN A1192 -5.548 7.185 -1.098 1.00 0.00 C ATOM 136 CG GLN A1192 -5.529 7.936 0.216 1.00 0.00 C ATOM 137 CD GLN A1192 -6.918 8.211 0.755 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.919 7.976 0.079 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.990 8.707 1.977 1.00 0.00 N ATOM 0 H GLN A1192 -5.627 8.391 -3.419 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.540 7.886 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.475 7.412 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.551 6.114 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.967 7.360 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.003 8.881 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -6.136 8.888 2.505 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.899 8.909 2.393 1.00 0.00 H new ATOM 148 N PHE A1193 -3.472 5.266 -1.980 1.00 0.00 N ATOM 149 CA PHE A1193 -3.009 4.014 -2.552 1.00 0.00 C ATOM 150 C PHE A1193 -3.945 2.871 -2.170 1.00 0.00 C ATOM 151 O PHE A1193 -3.938 2.393 -1.034 1.00 0.00 O ATOM 152 CB PHE A1193 -1.578 3.704 -2.087 1.00 0.00 C ATOM 153 CG PHE A1193 -0.978 2.499 -2.761 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.550 2.566 -4.077 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.853 1.296 -2.081 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.010 1.459 -4.703 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.316 0.186 -2.702 1.00 0.00 C ATOM 158 CZ PHE A1193 0.106 0.267 -4.014 1.00 0.00 C ATOM 0 H PHE A1193 -3.427 5.304 -0.962 1.00 0.00 H new ATOM 0 HA PHE A1193 -3.008 4.116 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.946 4.571 -2.279 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.581 3.544 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.640 3.495 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.180 1.227 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.321 1.525 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.226 -0.745 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.526 -0.600 -4.501 1.00 0.00 H new ATOM 168 N LYS A1194 -4.763 2.459 -3.122 1.00 0.00 N ATOM 169 CA LYS A1194 -5.614 1.292 -2.961 1.00 0.00 C ATOM 170 C LYS A1194 -4.787 0.024 -3.111 1.00 0.00 C ATOM 171 O LYS A1194 -3.958 -0.079 -4.018 1.00 0.00 O ATOM 172 CB LYS A1194 -6.746 1.328 -3.978 1.00 0.00 C ATOM 173 CG LYS A1194 -7.945 0.504 -3.562 1.00 0.00 C ATOM 174 CD LYS A1194 -8.116 -0.666 -4.483 1.00 0.00 C ATOM 175 CE LYS A1194 -9.555 -0.821 -4.954 1.00 0.00 C ATOM 176 NZ LYS A1194 -10.110 0.445 -5.505 1.00 0.00 N ATOM 0 H LYS A1194 -4.857 2.922 -4.026 1.00 0.00 H new ATOM 0 HA LYS A1194 -6.052 1.300 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -7.058 2.361 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.377 0.963 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.817 0.154 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -8.843 1.122 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -7.464 -0.544 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -7.802 -1.577 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.603 -1.598 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.174 -1.154 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -10.767 0.227 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.617 0.957 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -9.334 1.037 -5.864 1.00 0.00 H new ATOM 190 N CYS A1195 -4.996 -0.915 -2.192 1.00 0.00 N ATOM 191 CA CYS A1195 -4.344 -2.199 -2.216 1.00 0.00 C ATOM 192 C CYS A1195 -4.674 -2.943 -3.509 1.00 0.00 C ATOM 193 O CYS A1195 -5.748 -2.755 -4.074 1.00 0.00 O ATOM 194 CB CYS A1195 -4.840 -2.985 -1.008 1.00 0.00 C ATOM 195 SG CYS A1195 -4.143 -2.450 0.591 1.00 0.00 S ATOM 0 H CYS A1195 -5.633 -0.793 -1.405 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.261 -2.078 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.926 -2.904 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -4.605 -4.039 -1.156 1.00 0.00 H new ATOM 200 N ALA A1196 -3.760 -3.787 -3.974 1.00 0.00 N ATOM 201 CA ALA A1196 -3.982 -4.539 -5.208 1.00 0.00 C ATOM 202 C ALA A1196 -5.084 -5.578 -5.018 1.00 0.00 C ATOM 203 O ALA A1196 -5.778 -5.949 -5.967 1.00 0.00 O ATOM 204 CB ALA A1196 -2.696 -5.198 -5.671 1.00 0.00 C ATOM 0 H ALA A1196 -2.864 -3.968 -3.521 1.00 0.00 H new ATOM 0 HA ALA A1196 -4.305 -3.840 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.882 -5.753 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.941 -4.434 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.340 -5.882 -4.901 1.00 0.00 H new ATOM 210 N ASP A1197 -5.231 -6.047 -3.784 1.00 0.00 N ATOM 211 CA ASP A1197 -6.349 -6.904 -3.407 1.00 0.00 C ATOM 212 C ASP A1197 -7.630 -6.075 -3.265 1.00 0.00 C ATOM 213 O ASP A1197 -8.736 -6.567 -3.495 1.00 0.00 O ATOM 214 CB ASP A1197 -6.026 -7.628 -2.095 1.00 0.00 C ATOM 215 CG ASP A1197 -7.152 -8.516 -1.610 1.00 0.00 C ATOM 216 OD1 ASP A1197 -7.436 -9.537 -2.266 1.00 0.00 O ATOM 217 OD2 ASP A1197 -7.750 -8.201 -0.563 1.00 0.00 O ATOM 0 H ASP A1197 -4.584 -5.846 -3.022 1.00 0.00 H new ATOM 0 HA ASP A1197 -6.509 -7.647 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.129 -8.232 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -5.798 -6.889 -1.327 1.00 0.00 H new ATOM 222 N GLY A1198 -7.464 -4.802 -2.908 1.00 0.00 N ATOM 223 CA GLY A1198 -8.596 -3.906 -2.729 1.00 0.00 C ATOM 224 C GLY A1198 -9.211 -4.025 -1.351 1.00 0.00 C ATOM 225 O GLY A1198 -10.348 -3.600 -1.135 1.00 0.00 O ATOM 0 H GLY A1198 -6.555 -4.372 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.272 -2.878 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.353 -4.125 -3.482 1.00 0.00 H new ATOM 229 N SER A1199 -8.454 -4.604 -0.424 1.00 0.00 N ATOM 230 CA SER A1199 -8.892 -4.765 0.954 1.00 0.00 C ATOM 231 C SER A1199 -9.015 -3.413 1.643 1.00 0.00 C ATOM 232 O SER A1199 -10.010 -3.130 2.308 1.00 0.00 O ATOM 233 CB SER A1199 -7.887 -5.638 1.708 1.00 0.00 C ATOM 234 OG SER A1199 -6.818 -6.027 0.856 1.00 0.00 O ATOM 0 H SER A1199 -7.521 -4.974 -0.609 1.00 0.00 H new ATOM 0 HA SER A1199 -9.872 -5.243 0.956 1.00 0.00 H new ATOM 0 HB2 SER A1199 -7.494 -5.091 2.565 1.00 0.00 H new ATOM 0 HB3 SER A1199 -8.388 -6.524 2.098 1.00 0.00 H new ATOM 0 HG SER A1199 -7.034 -6.883 0.430 1.00 0.00 H new ATOM 240 N SER A1200 -8.000 -2.581 1.468 1.00 0.00 N ATOM 241 CA SER A1200 -7.978 -1.276 2.096 1.00 0.00 C ATOM 242 C SER A1200 -7.290 -0.261 1.197 1.00 0.00 C ATOM 243 O SER A1200 -6.804 -0.603 0.116 1.00 0.00 O ATOM 244 CB SER A1200 -7.257 -1.357 3.443 1.00 0.00 C ATOM 245 OG SER A1200 -6.427 -2.508 3.520 1.00 0.00 O ATOM 0 H SER A1200 -7.182 -2.789 0.895 1.00 0.00 H new ATOM 0 HA SER A1200 -9.006 -0.952 2.259 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.653 -0.461 3.588 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.991 -1.381 4.249 1.00 0.00 H new ATOM 0 HG SER A1200 -5.824 -2.529 2.748 1.00 0.00 H new ATOM 251 N CYS A1201 -7.274 0.985 1.635 1.00 0.00 N ATOM 252 CA CYS A1201 -6.534 2.026 0.945 1.00 0.00 C ATOM 253 C CYS A1201 -5.756 2.860 1.949 1.00 0.00 C ATOM 254 O CYS A1201 -6.340 3.506 2.821 1.00 0.00 O ATOM 255 CB CYS A1201 -7.455 2.944 0.140 1.00 0.00 C ATOM 256 SG CYS A1201 -8.979 2.168 -0.489 1.00 0.00 S ATOM 0 H CYS A1201 -7.768 1.302 2.470 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.852 1.535 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.731 3.792 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.894 3.341 -0.706 1.00 0.00 H new ATOM 261 N ILE A1202 -4.445 2.836 1.833 1.00 0.00 N ATOM 262 CA ILE A1202 -3.591 3.669 2.664 1.00 0.00 C ATOM 263 C ILE A1202 -3.271 4.945 1.907 1.00 0.00 C ATOM 264 O ILE A1202 -3.724 5.121 0.779 1.00 0.00 O ATOM 265 CB ILE A1202 -2.275 2.955 3.050 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.688 2.204 1.850 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.515 2.000 4.211 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.195 2.393 1.692 1.00 0.00 C ATOM 0 H ILE A1202 -3.942 2.247 1.169 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.126 3.888 3.588 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.554 3.711 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.902 1.141 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.187 2.540 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.581 1.504 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.883 2.559 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.254 1.253 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.153 1.834 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.025 3.452 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.314 2.030 2.585 1.00 0.00 H new ATOM 280 N ASN A1203 -2.519 5.844 2.509 1.00 0.00 N ATOM 281 CA ASN A1203 -2.081 7.024 1.786 1.00 0.00 C ATOM 282 C ASN A1203 -0.836 6.706 0.985 1.00 0.00 C ATOM 283 O ASN A1203 -0.066 5.815 1.348 1.00 0.00 O ATOM 284 CB ASN A1203 -1.799 8.199 2.722 1.00 0.00 C ATOM 285 CG ASN A1203 -2.444 9.477 2.230 1.00 0.00 C ATOM 286 OD1 ASN A1203 -2.674 9.646 1.034 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.741 10.387 3.145 1.00 0.00 N ATOM 0 H ASN A1203 -2.203 5.785 3.477 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.891 7.316 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -2.170 7.966 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.722 8.345 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.177 11.266 2.867 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.534 10.209 4.128 1.00 0.00 H new ATOM 294 N SER A1204 -0.628 7.448 -0.090 1.00 0.00 N ATOM 295 CA SER A1204 0.549 7.261 -0.930 1.00 0.00 C ATOM 296 C SER A1204 1.812 7.768 -0.231 1.00 0.00 C ATOM 297 O SER A1204 2.922 7.568 -0.718 1.00 0.00 O ATOM 298 CB SER A1204 0.353 7.970 -2.268 1.00 0.00 C ATOM 299 OG SER A1204 -0.988 7.847 -2.703 1.00 0.00 O ATOM 0 H SER A1204 -1.258 8.186 -0.404 1.00 0.00 H new ATOM 0 HA SER A1204 0.676 6.194 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A1204 0.614 9.024 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A1204 1.024 7.544 -3.014 1.00 0.00 H new ATOM 0 HG SER A1204 -1.471 8.679 -2.514 1.00 0.00 H new ATOM 305 N ARG A1205 1.639 8.404 0.929 1.00 0.00 N ATOM 306 CA ARG A1205 2.770 8.843 1.736 1.00 0.00 C ATOM 307 C ARG A1205 3.282 7.692 2.602 1.00 0.00 C ATOM 308 O ARG A1205 4.313 7.800 3.260 1.00 0.00 O ATOM 309 CB ARG A1205 2.373 10.040 2.603 1.00 0.00 C ATOM 310 CG ARG A1205 1.388 9.708 3.713 1.00 0.00 C ATOM 311 CD ARG A1205 1.488 10.705 4.854 1.00 0.00 C ATOM 312 NE ARG A1205 2.869 10.880 5.308 1.00 0.00 N ATOM 313 CZ ARG A1205 3.331 10.463 6.490 1.00 0.00 C ATOM 314 NH1 ARG A1205 2.518 9.900 7.375 1.00 0.00 N ATOM 315 NH2 ARG A1205 4.611 10.630 6.792 1.00 0.00 N ATOM 0 H ARG A1205 0.726 8.625 1.327 1.00 0.00 H new ATOM 0 HA ARG A1205 3.575 9.156 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.272 10.467 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A1205 1.937 10.808 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.374 9.708 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.583 8.703 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A1205 1.087 11.666 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A1205 0.872 10.366 5.687 1.00 0.00 H new ATOM 0 HE ARG A1205 3.521 11.351 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A1205 1.529 9.782 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A1205 2.882 9.585 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A1205 5.239 11.075 6.123 1.00 0.00 H new ATOM 0 HH22 ARG A1205 4.968 10.313 7.693 1.00 0.00 H new ATOM 329 N TYR A1206 2.544 6.587 2.588 1.00 0.00 N ATOM 330 CA TYR A1206 2.924 5.390 3.321 1.00 0.00 C ATOM 331 C TYR A1206 3.483 4.341 2.366 1.00 0.00 C ATOM 332 O TYR A1206 3.685 3.191 2.740 1.00 0.00 O ATOM 333 CB TYR A1206 1.719 4.818 4.073 1.00 0.00 C ATOM 334 CG TYR A1206 1.460 5.490 5.400 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.168 5.120 6.532 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.517 6.502 5.515 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.945 5.740 7.746 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.287 7.125 6.726 1.00 0.00 C ATOM 339 CZ TYR A1206 1.004 6.742 7.838 1.00 0.00 C ATOM 340 OH TYR A1206 0.785 7.369 9.043 1.00 0.00 O ATOM 0 H TYR A1206 1.670 6.498 2.070 1.00 0.00 H new ATOM 0 HA TYR A1206 3.694 5.659 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.832 4.914 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.878 3.753 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A1206 2.906 4.334 6.464 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.045 6.807 4.645 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.506 5.441 8.619 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.452 7.909 6.801 1.00 0.00 H new ATOM 0 HH TYR A1206 0.090 8.052 8.935 1.00 0.00 H new ATOM 350 N ARG A1207 3.714 4.744 1.125 1.00 0.00 N ATOM 351 CA ARG A1207 4.246 3.845 0.110 1.00 0.00 C ATOM 352 C ARG A1207 5.758 3.683 0.284 1.00 0.00 C ATOM 353 O ARG A1207 6.481 4.679 0.343 1.00 0.00 O ATOM 354 CB ARG A1207 3.917 4.393 -1.284 1.00 0.00 C ATOM 355 CG ARG A1207 4.429 3.535 -2.429 1.00 0.00 C ATOM 356 CD ARG A1207 3.342 2.626 -2.971 1.00 0.00 C ATOM 357 NE ARG A1207 3.866 1.308 -3.329 1.00 0.00 N ATOM 358 CZ ARG A1207 4.069 0.898 -4.582 1.00 0.00 C ATOM 359 NH1 ARG A1207 3.820 1.710 -5.608 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.529 -0.324 -4.810 1.00 0.00 N ATOM 0 H ARG A1207 3.540 5.693 0.795 1.00 0.00 H new ATOM 0 HA ARG A1207 3.785 2.864 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.836 4.494 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.340 5.393 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.800 4.177 -3.228 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.271 2.933 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A1207 2.556 2.514 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.886 3.087 -3.848 1.00 0.00 H new ATOM 0 HE ARG A1207 4.090 0.662 -2.573 1.00 0.00 H new ATOM 0 HH11 ARG A1207 3.471 2.653 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A1207 3.978 1.388 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.727 -0.949 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.685 -0.640 -5.767 1.00 0.00 H new ATOM 374 N CYS A1208 6.209 2.424 0.376 1.00 0.00 N ATOM 375 CA CYS A1208 7.629 2.080 0.543 1.00 0.00 C ATOM 376 C CYS A1208 8.198 2.649 1.844 1.00 0.00 C ATOM 377 O CYS A1208 8.805 3.723 1.864 1.00 0.00 O ATOM 378 CB CYS A1208 8.464 2.548 -0.659 1.00 0.00 C ATOM 379 SG CYS A1208 7.669 2.271 -2.278 1.00 0.00 S ATOM 0 H CYS A1208 5.595 1.610 0.336 1.00 0.00 H new ATOM 0 HA CYS A1208 7.689 0.993 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.675 3.612 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.423 2.030 -0.645 1.00 0.00 H new ATOM 384 N ASP A1209 7.997 1.921 2.934 1.00 0.00 N ATOM 385 CA ASP A1209 8.475 2.359 4.241 1.00 0.00 C ATOM 386 C ASP A1209 9.078 1.200 5.037 1.00 0.00 C ATOM 387 O ASP A1209 9.942 1.415 5.887 1.00 0.00 O ATOM 388 CB ASP A1209 7.344 3.043 5.033 1.00 0.00 C ATOM 389 CG ASP A1209 6.529 2.085 5.885 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.580 1.476 5.355 1.00 0.00 O ATOM 391 OD2 ASP A1209 6.832 1.944 7.087 1.00 0.00 O ATOM 0 H ASP A1209 7.507 1.026 2.941 1.00 0.00 H new ATOM 0 HA ASP A1209 9.268 3.088 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.775 3.810 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.678 3.550 4.334 1.00 0.00 H new ATOM 396 N GLY A1210 8.641 -0.021 4.751 1.00 0.00 N ATOM 397 CA GLY A1210 9.138 -1.172 5.479 1.00 0.00 C ATOM 398 C GLY A1210 8.028 -1.999 6.101 1.00 0.00 C ATOM 399 O GLY A1210 8.093 -3.230 6.106 1.00 0.00 O ATOM 0 H GLY A1210 7.953 -0.234 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A1210 9.718 -1.801 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.817 -0.835 6.263 1.00 0.00 H new ATOM 403 N VAL A1211 7.009 -1.327 6.623 1.00 0.00 N ATOM 404 CA VAL A1211 5.890 -2.008 7.267 1.00 0.00 C ATOM 405 C VAL A1211 4.839 -2.390 6.229 1.00 0.00 C ATOM 406 O VAL A1211 4.411 -1.556 5.441 1.00 0.00 O ATOM 407 CB VAL A1211 5.239 -1.128 8.362 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.247 -1.931 9.195 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.302 -0.511 9.257 1.00 0.00 C ATOM 0 H VAL A1211 6.934 -0.310 6.613 1.00 0.00 H new ATOM 0 HA VAL A1211 6.283 -2.907 7.742 1.00 0.00 H new ATOM 0 HB VAL A1211 4.694 -0.326 7.864 1.00 0.00 H new ATOM 0 HG11 VAL A1211 3.806 -1.287 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A1211 3.461 -2.321 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A1211 4.764 -2.760 9.677 1.00 0.00 H new ATOM 0 HG21 VAL A1211 5.824 0.104 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A1211 6.878 -1.302 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.968 0.109 8.657 1.00 0.00 H new ATOM 419 N TYR A1212 4.437 -3.652 6.225 1.00 0.00 N ATOM 420 CA TYR A1212 3.452 -4.144 5.267 1.00 0.00 C ATOM 421 C TYR A1212 2.041 -3.751 5.686 1.00 0.00 C ATOM 422 O TYR A1212 1.530 -4.226 6.701 1.00 0.00 O ATOM 423 CB TYR A1212 3.562 -5.662 5.141 1.00 0.00 C ATOM 424 CG TYR A1212 4.912 -6.124 4.651 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.312 -5.886 3.344 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.787 -6.795 5.494 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.543 -6.303 2.889 1.00 0.00 C ATOM 428 CE2 TYR A1212 7.023 -7.215 5.046 1.00 0.00 C ATOM 429 CZ TYR A1212 7.397 -6.967 3.745 1.00 0.00 C ATOM 430 OH TYR A1212 8.628 -7.387 3.297 1.00 0.00 O ATOM 0 H TYR A1212 4.778 -4.359 6.877 1.00 0.00 H new ATOM 0 HA TYR A1212 3.657 -3.689 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.361 -6.116 6.111 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.793 -6.019 4.456 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.646 -5.365 2.672 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.496 -6.991 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.838 -6.111 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.694 -7.736 5.713 1.00 0.00 H new ATOM 0 HH TYR A1212 9.105 -7.837 4.025 1.00 0.00 H new ATOM 440 N ASP A1213 1.421 -2.882 4.901 1.00 0.00 N ATOM 441 CA ASP A1213 0.090 -2.367 5.210 1.00 0.00 C ATOM 442 C ASP A1213 -0.982 -3.179 4.502 1.00 0.00 C ATOM 443 O ASP A1213 -1.939 -3.642 5.127 1.00 0.00 O ATOM 444 CB ASP A1213 -0.033 -0.901 4.787 1.00 0.00 C ATOM 445 CG ASP A1213 0.605 0.054 5.771 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.268 -0.007 6.969 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.452 0.869 5.344 1.00 0.00 O ATOM 0 H ASP A1213 1.821 -2.515 4.037 1.00 0.00 H new ATOM 0 HA ASP A1213 -0.052 -2.447 6.288 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.431 -0.771 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -1.087 -0.648 4.675 1.00 0.00 H new ATOM 452 N CYS A1214 -0.804 -3.354 3.198 1.00 0.00 N ATOM 453 CA CYS A1214 -1.767 -4.043 2.367 1.00 0.00 C ATOM 454 C CYS A1214 -1.747 -5.537 2.651 1.00 0.00 C ATOM 455 O CYS A1214 -0.695 -6.104 2.964 1.00 0.00 O ATOM 456 CB CYS A1214 -1.446 -3.788 0.898 1.00 0.00 C ATOM 457 SG CYS A1214 -2.158 -2.252 0.228 1.00 0.00 S ATOM 0 H CYS A1214 0.016 -3.019 2.692 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.763 -3.663 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.363 -3.756 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.809 -4.630 0.308 1.00 0.00 H new ATOM 462 N ARG A1215 -2.911 -6.171 2.524 1.00 0.00 N ATOM 463 CA ARG A1215 -3.045 -7.602 2.783 1.00 0.00 C ATOM 464 C ARG A1215 -2.212 -8.428 1.807 1.00 0.00 C ATOM 465 O ARG A1215 -1.690 -9.480 2.165 1.00 0.00 O ATOM 466 CB ARG A1215 -4.509 -8.028 2.706 1.00 0.00 C ATOM 467 CG ARG A1215 -5.281 -7.812 4.001 1.00 0.00 C ATOM 468 CD ARG A1215 -4.880 -8.822 5.069 1.00 0.00 C ATOM 469 NE ARG A1215 -4.351 -8.171 6.270 1.00 0.00 N ATOM 470 CZ ARG A1215 -3.051 -8.088 6.570 1.00 0.00 C ATOM 471 NH1 ARG A1215 -2.153 -8.725 5.827 1.00 0.00 N ATOM 472 NH2 ARG A1215 -2.655 -7.410 7.640 1.00 0.00 N ATOM 0 H ARG A1215 -3.778 -5.713 2.242 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.672 -7.787 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.998 -7.472 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.557 -9.083 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.100 -6.802 4.369 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -6.350 -7.894 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -5.745 -9.429 5.337 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -4.129 -9.499 4.663 1.00 0.00 H new ATOM 0 HE ARG A1215 -5.018 -7.754 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -2.455 -9.279 5.026 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -1.162 -8.660 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -3.343 -6.950 8.236 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -1.662 -7.349 7.866 1.00 0.00 H new ATOM 486 N ASP A1216 -2.077 -7.934 0.580 1.00 0.00 N ATOM 487 CA ASP A1216 -1.294 -8.621 -0.441 1.00 0.00 C ATOM 488 C ASP A1216 0.090 -7.980 -0.605 1.00 0.00 C ATOM 489 O ASP A1216 0.825 -8.306 -1.540 1.00 0.00 O ATOM 490 CB ASP A1216 -2.045 -8.628 -1.776 1.00 0.00 C ATOM 491 CG ASP A1216 -2.136 -7.254 -2.402 1.00 0.00 C ATOM 492 OD1 ASP A1216 -2.918 -6.414 -1.906 1.00 0.00 O ATOM 493 OD2 ASP A1216 -1.420 -7.000 -3.387 1.00 0.00 O ATOM 0 H ASP A1216 -2.500 -7.060 0.269 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.148 -9.651 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.543 -9.305 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -3.050 -9.019 -1.621 1.00 0.00 H new ATOM 498 N ASN A1217 0.415 -7.051 0.308 1.00 0.00 N ATOM 499 CA ASN A1217 1.759 -6.443 0.414 1.00 0.00 C ATOM 500 C ASN A1217 2.088 -5.509 -0.757 1.00 0.00 C ATOM 501 O ASN A1217 3.258 -5.227 -1.005 1.00 0.00 O ATOM 502 CB ASN A1217 2.844 -7.531 0.514 1.00 0.00 C ATOM 503 CG ASN A1217 3.031 -8.094 1.914 1.00 0.00 C ATOM 504 OD1 ASN A1217 2.118 -7.788 2.824 1.00 0.00 O flip ATOM 505 ND2 ASN A1217 3.992 -8.818 2.170 1.00 0.00 N flip ATOM 0 H ASN A1217 -0.247 -6.696 0.998 1.00 0.00 H new ATOM 0 HA ASN A1217 1.747 -5.842 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A1217 2.589 -8.346 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.792 -7.116 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A1217 4.676 -9.033 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A1217 4.105 -9.203 3.108 1.00 0.00 H new ATOM 512 N SER A1218 1.066 -5.006 -1.451 1.00 0.00 N ATOM 513 CA SER A1218 1.260 -4.177 -2.643 1.00 0.00 C ATOM 514 C SER A1218 1.913 -2.830 -2.326 1.00 0.00 C ATOM 515 O SER A1218 2.542 -2.217 -3.190 1.00 0.00 O ATOM 516 CB SER A1218 -0.087 -3.949 -3.317 1.00 0.00 C ATOM 517 OG SER A1218 -1.156 -4.270 -2.441 1.00 0.00 O ATOM 0 H SER A1218 0.088 -5.160 -1.206 1.00 0.00 H new ATOM 0 HA SER A1218 1.939 -4.711 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.169 -2.908 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A1218 -0.155 -4.559 -4.218 1.00 0.00 H new ATOM 0 HG SER A1218 -1.264 -3.554 -1.780 1.00 0.00 H new ATOM 523 N ASP A1219 1.774 -2.385 -1.083 1.00 0.00 N ATOM 524 CA ASP A1219 2.317 -1.102 -0.646 1.00 0.00 C ATOM 525 C ASP A1219 3.842 -1.134 -0.589 1.00 0.00 C ATOM 526 O ASP A1219 4.495 -0.098 -0.731 1.00 0.00 O ATOM 527 CB ASP A1219 1.754 -0.723 0.729 1.00 0.00 C ATOM 528 CG ASP A1219 2.013 -1.780 1.793 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.543 -2.932 1.625 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.662 -1.472 2.796 1.00 0.00 O ATOM 0 H ASP A1219 1.284 -2.900 -0.351 1.00 0.00 H new ATOM 0 HA ASP A1219 2.018 -0.351 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.196 0.221 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.680 -0.559 0.642 1.00 0.00 H new ATOM 535 N GLU A1220 4.399 -2.325 -0.392 1.00 0.00 N ATOM 536 CA GLU A1220 5.843 -2.487 -0.279 1.00 0.00 C ATOM 537 C GLU A1220 6.410 -3.238 -1.482 1.00 0.00 C ATOM 538 O GLU A1220 7.599 -3.135 -1.780 1.00 0.00 O ATOM 539 CB GLU A1220 6.194 -3.229 1.013 1.00 0.00 C ATOM 540 CG GLU A1220 5.893 -2.442 2.282 1.00 0.00 C ATOM 541 CD GLU A1220 6.417 -1.021 2.234 1.00 0.00 C ATOM 542 OE1 GLU A1220 7.645 -0.836 2.189 1.00 0.00 O ATOM 543 OE2 GLU A1220 5.602 -0.077 2.254 1.00 0.00 O ATOM 0 H GLU A1220 3.870 -3.193 -0.307 1.00 0.00 H new ATOM 0 HA GLU A1220 6.291 -1.494 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.642 -4.169 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.254 -3.482 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A1220 4.815 -2.421 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A1220 6.333 -2.957 3.136 1.00 0.00 H new ATOM 550 N ALA A1221 5.555 -3.998 -2.160 1.00 0.00 N ATOM 551 CA ALA A1221 5.963 -4.762 -3.334 1.00 0.00 C ATOM 552 C ALA A1221 6.248 -3.836 -4.507 1.00 0.00 C ATOM 553 O ALA A1221 5.354 -3.148 -5.000 1.00 0.00 O ATOM 554 CB ALA A1221 4.900 -5.783 -3.712 1.00 0.00 C ATOM 0 H ALA A1221 4.570 -4.101 -1.915 1.00 0.00 H new ATOM 0 HA ALA A1221 6.880 -5.297 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.227 -6.340 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A1221 4.746 -6.472 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A1221 3.965 -5.269 -3.936 1.00 0.00 H new ATOM 560 N GLY A1222 7.499 -3.819 -4.936 1.00 0.00 N ATOM 561 CA GLY A1222 7.917 -2.934 -6.002 1.00 0.00 C ATOM 562 C GLY A1222 8.957 -1.948 -5.518 1.00 0.00 C ATOM 563 O GLY A1222 9.790 -1.474 -6.291 1.00 0.00 O ATOM 0 H GLY A1222 8.241 -4.410 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A1222 8.323 -3.520 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A1222 7.053 -2.394 -6.390 1.00 0.00 H new ATOM 567 N CYS A1223 8.901 -1.644 -4.228 1.00 0.00 N ATOM 568 CA CYS A1223 9.847 -0.780 -3.589 1.00 0.00 C ATOM 569 C CYS A1223 11.164 -1.509 -3.340 1.00 0.00 C ATOM 570 O CYS A1223 11.161 -2.691 -2.983 1.00 0.00 O ATOM 571 CB CYS A1223 9.240 -0.319 -2.278 1.00 0.00 C ATOM 572 SG CYS A1223 7.514 0.253 -2.417 1.00 0.00 S ATOM 0 H CYS A1223 8.182 -2.003 -3.600 1.00 0.00 H new ATOM 0 HA CYS A1223 10.065 0.075 -4.229 1.00 0.00 H new ATOM 0 HB2 CYS A1223 9.283 -1.139 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A1223 9.848 0.490 -1.873 1.00 0.00 H new ATOM 577 N PRO A1224 12.304 -0.822 -3.553 1.00 0.00 N ATOM 578 CA PRO A1224 13.633 -1.397 -3.318 1.00 0.00 C ATOM 579 C PRO A1224 13.856 -1.772 -1.855 1.00 0.00 C ATOM 580 O PRO A1224 13.653 -0.955 -0.954 1.00 0.00 O ATOM 581 CB PRO A1224 14.598 -0.280 -3.738 1.00 0.00 C ATOM 582 CG PRO A1224 13.791 0.969 -3.696 1.00 0.00 C ATOM 583 CD PRO A1224 12.388 0.565 -4.048 1.00 0.00 C ATOM 0 HA PRO A1224 13.772 -2.324 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A1224 15.450 -0.221 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A1224 14.996 -0.458 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A1224 13.829 1.426 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A1224 14.174 1.705 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A1224 11.651 1.209 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO A1224 12.210 0.621 -5.122 1.00 0.00 H new ATOM 591 N THR A1225 14.250 -3.019 -1.634 1.00 0.00 N ATOM 592 CA THR A1225 14.522 -3.516 -0.295 1.00 0.00 C ATOM 593 C THR A1225 15.760 -2.849 0.292 1.00 0.00 C ATOM 594 O THR A1225 16.873 -3.005 -0.219 1.00 0.00 O ATOM 595 CB THR A1225 14.730 -5.036 -0.304 1.00 0.00 C ATOM 596 OG1 THR A1225 14.525 -5.547 -1.629 1.00 0.00 O ATOM 597 CG2 THR A1225 13.778 -5.723 0.662 1.00 0.00 C ATOM 0 H THR A1225 14.389 -3.709 -2.373 1.00 0.00 H new ATOM 0 HA THR A1225 13.656 -3.276 0.322 1.00 0.00 H new ATOM 0 HB THR A1225 15.752 -5.242 0.015 1.00 0.00 H new ATOM 0 HG1 THR A1225 14.661 -6.518 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A1225 13.947 -6.800 0.636 1.00 0.00 H new ATOM 0 HG22 THR A1225 13.954 -5.353 1.672 1.00 0.00 H new ATOM 0 HG23 THR A1225 12.749 -5.510 0.372 1.00 0.00 H new ATOM 605 N ARG A1226 15.553 -2.094 1.354 1.00 0.00 N ATOM 606 CA ARG A1226 16.638 -1.404 2.028 1.00 0.00 C ATOM 607 C ARG A1226 17.254 -2.308 3.091 1.00 0.00 C ATOM 608 O ARG A1226 16.580 -3.209 3.592 1.00 0.00 O ATOM 609 CB ARG A1226 16.124 -0.114 2.664 1.00 0.00 C ATOM 610 CG ARG A1226 16.418 1.127 1.841 1.00 0.00 C ATOM 611 CD ARG A1226 16.396 2.381 2.699 1.00 0.00 C ATOM 612 NE ARG A1226 15.051 2.691 3.182 1.00 0.00 N ATOM 613 CZ ARG A1226 14.226 3.562 2.596 1.00 0.00 C ATOM 614 NH1 ARG A1226 14.599 4.214 1.500 1.00 0.00 N ATOM 615 NH2 ARG A1226 13.023 3.781 3.113 1.00 0.00 N ATOM 0 H ARG A1226 14.635 -1.942 1.772 1.00 0.00 H new ATOM 0 HA ARG A1226 17.405 -1.152 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A1226 15.047 -0.195 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A1226 16.573 -0.001 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A1226 17.394 1.027 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A1226 15.682 1.218 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A1226 17.065 2.250 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A1226 16.776 3.223 2.120 1.00 0.00 H new ATOM 0 HE ARG A1226 14.722 2.211 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A1226 15.523 4.051 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A1226 13.962 4.877 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A1226 12.732 3.285 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A1226 12.390 4.446 2.668 1.00 0.00 H new ATOM 629 N PRO A1227 18.546 -2.100 3.422 1.00 0.00 N ATOM 630 CA PRO A1227 19.240 -2.861 4.472 1.00 0.00 C ATOM 631 C PRO A1227 18.493 -2.830 5.809 1.00 0.00 C ATOM 632 O PRO A1227 17.999 -1.779 6.228 1.00 0.00 O ATOM 633 CB PRO A1227 20.603 -2.160 4.601 1.00 0.00 C ATOM 634 CG PRO A1227 20.465 -0.875 3.856 1.00 0.00 C ATOM 635 CD PRO A1227 19.450 -1.130 2.785 1.00 0.00 C ATOM 0 HA PRO A1227 19.318 -3.917 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A1227 20.855 -1.982 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A1227 21.400 -2.773 4.181 1.00 0.00 H new ATOM 0 HG2 PRO A1227 20.141 -0.072 4.518 1.00 0.00 H new ATOM 0 HG3 PRO A1227 21.418 -0.568 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A1227 18.927 -0.218 2.497 1.00 0.00 H new ATOM 0 HD3 PRO A1227 19.907 -1.535 1.882 1.00 0.00 H new ATOM 643 N PRO A1228 18.392 -3.995 6.479 1.00 0.00 N ATOM 644 CA PRO A1228 17.644 -4.137 7.737 1.00 0.00 C ATOM 645 C PRO A1228 18.198 -3.271 8.867 1.00 0.00 C ATOM 646 O PRO A1228 19.412 -3.203 9.085 1.00 0.00 O ATOM 647 CB PRO A1228 17.788 -5.624 8.084 1.00 0.00 C ATOM 648 CG PRO A1228 18.970 -6.094 7.312 1.00 0.00 C ATOM 649 CD PRO A1228 18.999 -5.271 6.061 1.00 0.00 C ATOM 0 HA PRO A1228 16.611 -3.809 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A1228 17.936 -5.766 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A1228 16.892 -6.181 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A1228 19.888 -5.964 7.886 1.00 0.00 H new ATOM 0 HG3 PRO A1228 18.887 -7.156 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A1228 20.016 -5.131 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A1228 18.433 -5.741 5.257 1.00 0.00 H new ATOM 657 N GLY A1229 17.294 -2.608 9.573 1.00 0.00 N ATOM 658 CA GLY A1229 17.680 -1.762 10.680 1.00 0.00 C ATOM 659 C GLY A1229 16.849 -2.045 11.912 1.00 0.00 C ATOM 660 O GLY A1229 16.148 -1.130 12.384 1.00 0.00 O ATOM 661 OXT GLY A1229 16.878 -3.196 12.398 1.00 0.00 O ATOM 0 H GLY A1229 16.290 -2.643 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A1229 18.734 -1.918 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A1229 17.567 -0.716 10.396 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.603 0.610 3.836 1.00 0.00 CA