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 Set 1.1: A1189 THR OG1 : rot 180:sc= 0.002 USER MOD Set 1.2: A1192 GLN : amide:sc= -0.56 K(o=-0.65,f=-5.2!) USER MOD Set 1.3: A1203 ASN : amide:sc= -0.0923 K(o=-0.65,f=-3.7!) USER MOD Single : A1184 MET CE :methyl 177:sc= -1.76 (180deg=-1.8) USER MOD Single : A1187 ASN : amide:sc= -0.0908 X(o=-0.091,f=-0.57) USER MOD Single : A1190 SER OG : rot 180:sc= 0 USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot -120:sc= 0.107 USER MOD Single : A1200 SER OG : rot 43:sc= 0.777 USER MOD Single : A1204 SER OG : rot -111:sc= 1.39 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= 0.301 X(o=0.3,f=0.67) USER MOD Single : A1218 SER OG : rot 108:sc= 1.22 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.0899 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -8.710 -3.655 10.943 1.00 0.00 N ATOM 2 CA GLY A1182 -8.329 -2.598 10.040 1.00 0.00 C ATOM 3 C GLY A1182 -8.521 -1.233 10.657 1.00 0.00 C ATOM 4 O GLY A1182 -9.652 -0.790 10.851 1.00 0.00 O ATOM 0 HA2 GLY A1182 -7.285 -2.724 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -8.920 -2.670 9.127 1.00 0.00 H new ATOM 10 N ALA A1183 -7.418 -0.561 10.965 1.00 0.00 N ATOM 11 CA ALA A1183 -7.471 0.758 11.588 1.00 0.00 C ATOM 12 C ALA A1183 -7.494 1.859 10.529 1.00 0.00 C ATOM 13 O ALA A1183 -6.622 2.731 10.491 1.00 0.00 O ATOM 14 CB ALA A1183 -6.290 0.940 12.531 1.00 0.00 C ATOM 0 H ALA A1183 -6.474 -0.908 10.794 1.00 0.00 H new ATOM 0 HA ALA A1183 -8.392 0.831 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -6.340 1.927 12.990 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -6.324 0.176 13.308 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -5.360 0.847 11.971 1.00 0.00 H new ATOM 20 N MET A1184 -8.508 1.810 9.672 1.00 0.00 N ATOM 21 CA MET A1184 -8.638 2.744 8.564 1.00 0.00 C ATOM 22 C MET A1184 -10.077 2.770 8.074 1.00 0.00 C ATOM 23 O MET A1184 -10.736 1.730 8.025 1.00 0.00 O ATOM 24 CB MET A1184 -7.713 2.332 7.412 1.00 0.00 C ATOM 25 CG MET A1184 -7.297 3.484 6.509 1.00 0.00 C ATOM 26 SD MET A1184 -5.518 3.789 6.548 1.00 0.00 S ATOM 27 CE MET A1184 -4.881 2.173 6.110 1.00 0.00 C ATOM 0 H MET A1184 -9.260 1.123 9.727 1.00 0.00 H new ATOM 0 HA MET A1184 -8.355 3.738 8.911 1.00 0.00 H new ATOM 0 HB2 MET A1184 -6.818 1.868 7.827 1.00 0.00 H new ATOM 0 HB3 MET A1184 -8.215 1.575 6.810 1.00 0.00 H new ATOM 0 HG2 MET A1184 -7.602 3.267 5.485 1.00 0.00 H new ATOM 0 HG3 MET A1184 -7.824 4.388 6.814 1.00 0.00 H new ATOM 0 HE1 MET A1184 -3.794 2.217 6.041 1.00 0.00 H new ATOM 0 HE2 MET A1184 -5.167 1.450 6.874 1.00 0.00 H new ATOM 0 HE3 MET A1184 -5.294 1.868 5.148 1.00 0.00 H new ATOM 37 N VAL A1185 -10.567 3.951 7.733 1.00 0.00 N ATOM 38 CA VAL A1185 -11.883 4.073 7.120 1.00 0.00 C ATOM 39 C VAL A1185 -11.749 3.829 5.623 1.00 0.00 C ATOM 40 O VAL A1185 -10.836 4.359 4.984 1.00 0.00 O ATOM 41 CB VAL A1185 -12.547 5.454 7.368 1.00 0.00 C ATOM 42 CG1 VAL A1185 -13.914 5.271 8.013 1.00 0.00 C ATOM 43 CG2 VAL A1185 -11.676 6.362 8.231 1.00 0.00 C ATOM 0 H VAL A1185 -10.078 4.836 7.869 1.00 0.00 H new ATOM 0 HA VAL A1185 -12.532 3.330 7.583 1.00 0.00 H new ATOM 0 HB VAL A1185 -12.665 5.939 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -14.370 6.246 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -14.551 4.682 7.354 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -13.801 4.753 8.966 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -12.180 7.317 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -11.504 5.889 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -10.720 6.529 7.734 1.00 0.00 H new ATOM 53 N LEU A1186 -12.635 3.019 5.066 1.00 0.00 N ATOM 54 CA LEU A1186 -12.481 2.575 3.690 1.00 0.00 C ATOM 55 C LEU A1186 -13.218 3.471 2.705 1.00 0.00 C ATOM 56 O LEU A1186 -14.440 3.400 2.568 1.00 0.00 O ATOM 57 CB LEU A1186 -12.925 1.131 3.528 1.00 0.00 C ATOM 58 CG LEU A1186 -11.824 0.213 3.009 1.00 0.00 C ATOM 59 CD1 LEU A1186 -11.747 -1.045 3.847 1.00 0.00 C ATOM 60 CD2 LEU A1186 -12.050 -0.116 1.545 1.00 0.00 C ATOM 0 H LEU A1186 -13.462 2.658 5.541 1.00 0.00 H new ATOM 0 HA LEU A1186 -11.418 2.643 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -13.276 0.757 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -13.772 1.094 2.843 1.00 0.00 H new ATOM 0 HG LEU A1186 -10.869 0.732 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -10.956 -1.690 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.529 -0.780 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -12.700 -1.572 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -11.254 -0.772 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -13.011 -0.617 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -12.047 0.804 0.961 1.00 0.00 H new ATOM 72 N ASN A1187 -12.437 4.300 2.032 1.00 0.00 N ATOM 73 CA ASN A1187 -12.896 5.184 0.960 1.00 0.00 C ATOM 74 C ASN A1187 -11.685 5.909 0.412 1.00 0.00 C ATOM 75 O ASN A1187 -11.107 6.766 1.079 1.00 0.00 O ATOM 76 CB ASN A1187 -13.927 6.212 1.434 1.00 0.00 C ATOM 77 CG ASN A1187 -14.937 6.553 0.354 1.00 0.00 C ATOM 78 OD1 ASN A1187 -15.481 5.670 -0.312 1.00 0.00 O ATOM 79 ND2 ASN A1187 -15.198 7.839 0.169 1.00 0.00 N ATOM 0 H ASN A1187 -11.437 4.383 2.217 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.387 4.575 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -14.450 5.823 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -13.413 7.121 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -15.869 8.126 -0.544 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -14.728 8.542 0.740 1.00 0.00 H new ATOM 86 N CYS A1188 -11.285 5.550 -0.784 1.00 0.00 N ATOM 87 CA CYS A1188 -10.020 6.016 -1.321 1.00 0.00 C ATOM 88 C CYS A1188 -10.215 6.974 -2.482 1.00 0.00 C ATOM 89 O CYS A1188 -11.255 6.976 -3.149 1.00 0.00 O ATOM 90 CB CYS A1188 -9.167 4.828 -1.761 1.00 0.00 C ATOM 91 SG CYS A1188 -9.978 3.205 -1.546 1.00 0.00 S ATOM 0 H CYS A1188 -11.813 4.938 -1.406 1.00 0.00 H new ATOM 0 HA CYS A1188 -9.507 6.559 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.903 4.954 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.235 4.834 -1.195 1.00 0.00 H new ATOM 96 N THR A1189 -9.205 7.800 -2.701 1.00 0.00 N ATOM 97 CA THR A1189 -9.184 8.718 -3.822 1.00 0.00 C ATOM 98 C THR A1189 -8.210 8.229 -4.889 1.00 0.00 C ATOM 99 O THR A1189 -7.810 7.061 -4.890 1.00 0.00 O ATOM 100 CB THR A1189 -8.772 10.129 -3.362 1.00 0.00 C ATOM 101 OG1 THR A1189 -7.591 10.053 -2.545 1.00 0.00 O ATOM 102 CG2 THR A1189 -9.892 10.787 -2.576 1.00 0.00 C ATOM 0 H THR A1189 -8.378 7.851 -2.106 1.00 0.00 H new ATOM 0 HA THR A1189 -10.189 8.761 -4.242 1.00 0.00 H new ATOM 0 HB THR A1189 -8.565 10.731 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A1189 -7.334 10.954 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A1189 -9.579 11.783 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A1189 -10.779 10.867 -3.204 1.00 0.00 H new ATOM 0 HG23 THR A1189 -10.123 10.184 -1.698 1.00 0.00 H new ATOM 110 N SER A1190 -7.830 9.121 -5.791 1.00 0.00 N ATOM 111 CA SER A1190 -6.825 8.816 -6.798 1.00 0.00 C ATOM 112 C SER A1190 -5.422 9.112 -6.261 1.00 0.00 C ATOM 113 O SER A1190 -4.419 8.705 -6.846 1.00 0.00 O ATOM 114 CB SER A1190 -7.098 9.630 -8.064 1.00 0.00 C ATOM 115 OG SER A1190 -8.493 9.751 -8.305 1.00 0.00 O ATOM 0 H SER A1190 -8.205 10.068 -5.846 1.00 0.00 H new ATOM 0 HA SER A1190 -6.878 7.755 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.656 10.621 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A1190 -6.619 9.151 -8.918 1.00 0.00 H new ATOM 0 HG SER A1190 -8.640 10.277 -9.119 1.00 0.00 H new ATOM 121 N ALA A1191 -5.366 9.818 -5.132 1.00 0.00 N ATOM 122 CA ALA A1191 -4.100 10.158 -4.499 1.00 0.00 C ATOM 123 C ALA A1191 -3.658 9.062 -3.536 1.00 0.00 C ATOM 124 O ALA A1191 -2.464 8.841 -3.342 1.00 0.00 O ATOM 125 CB ALA A1191 -4.210 11.489 -3.771 1.00 0.00 C ATOM 0 H ALA A1191 -6.188 10.165 -4.638 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.346 10.248 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.255 11.728 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.472 12.272 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.982 11.422 -3.005 1.00 0.00 H new ATOM 131 N GLN A1192 -4.629 8.377 -2.933 1.00 0.00 N ATOM 132 CA GLN A1192 -4.339 7.292 -1.999 1.00 0.00 C ATOM 133 C GLN A1192 -3.901 6.039 -2.750 1.00 0.00 C ATOM 134 O GLN A1192 -4.107 5.926 -3.962 1.00 0.00 O ATOM 135 CB GLN A1192 -5.568 6.977 -1.141 1.00 0.00 C ATOM 136 CG GLN A1192 -5.526 7.625 0.231 1.00 0.00 C ATOM 137 CD GLN A1192 -6.905 7.839 0.818 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.870 8.088 0.095 1.00 0.00 O ATOM 139 NE2 GLN A1192 -7.005 7.757 2.133 1.00 0.00 N ATOM 0 H GLN A1192 -5.623 8.555 -3.075 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.527 7.616 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.463 7.311 -1.665 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.652 5.897 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.941 7.000 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.013 8.584 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -6.180 7.548 2.695 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.907 7.902 2.586 1.00 0.00 H new ATOM 148 N PHE A1193 -3.283 5.111 -2.036 1.00 0.00 N ATOM 149 CA PHE A1193 -2.863 3.850 -2.630 1.00 0.00 C ATOM 150 C PHE A1193 -3.810 2.733 -2.210 1.00 0.00 C ATOM 151 O PHE A1193 -3.865 2.358 -1.041 1.00 0.00 O ATOM 152 CB PHE A1193 -1.417 3.503 -2.230 1.00 0.00 C ATOM 153 CG PHE A1193 -0.924 2.203 -2.819 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.582 2.123 -4.157 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.815 1.060 -2.036 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.145 0.932 -4.707 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.377 -0.130 -2.580 1.00 0.00 C ATOM 158 CZ PHE A1193 -0.042 -0.194 -3.917 1.00 0.00 C ATOM 0 H PHE A1193 -3.061 5.207 -1.045 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.896 3.956 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.757 4.310 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.352 3.448 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.657 3.002 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.076 1.104 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.115 0.883 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.296 -1.011 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.301 -1.125 -4.344 1.00 0.00 H new ATOM 168 N LYS A1194 -4.574 2.225 -3.160 1.00 0.00 N ATOM 169 CA LYS A1194 -5.445 1.094 -2.901 1.00 0.00 C ATOM 170 C LYS A1194 -4.659 -0.203 -3.040 1.00 0.00 C ATOM 171 O LYS A1194 -3.765 -0.306 -3.882 1.00 0.00 O ATOM 172 CB LYS A1194 -6.632 1.102 -3.866 1.00 0.00 C ATOM 173 CG LYS A1194 -7.658 0.015 -3.587 1.00 0.00 C ATOM 174 CD LYS A1194 -9.072 0.555 -3.636 1.00 0.00 C ATOM 175 CE LYS A1194 -9.762 0.192 -4.940 1.00 0.00 C ATOM 176 NZ LYS A1194 -9.980 1.382 -5.804 1.00 0.00 N ATOM 0 H LYS A1194 -4.609 2.577 -4.117 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.830 1.170 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -7.123 2.074 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.261 0.986 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.548 -0.786 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.469 -0.421 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -9.644 0.157 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -9.053 1.639 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.160 -0.541 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.721 -0.280 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -10.453 1.091 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.576 2.071 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -9.064 1.818 -6.032 1.00 0.00 H new ATOM 190 N CYS A1195 -4.989 -1.174 -2.201 1.00 0.00 N ATOM 191 CA CYS A1195 -4.406 -2.487 -2.254 1.00 0.00 C ATOM 192 C CYS A1195 -4.774 -3.183 -3.569 1.00 0.00 C ATOM 193 O CYS A1195 -5.776 -2.834 -4.203 1.00 0.00 O ATOM 194 CB CYS A1195 -4.948 -3.263 -1.064 1.00 0.00 C ATOM 195 SG CYS A1195 -4.370 -2.672 0.561 1.00 0.00 S ATOM 0 H CYS A1195 -5.679 -1.061 -1.458 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.318 -2.432 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.037 -3.219 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -4.669 -4.311 -1.174 1.00 0.00 H new ATOM 200 N ALA A1196 -3.982 -4.175 -3.966 1.00 0.00 N ATOM 201 CA ALA A1196 -4.188 -4.865 -5.240 1.00 0.00 C ATOM 202 C ALA A1196 -5.492 -5.662 -5.244 1.00 0.00 C ATOM 203 O ALA A1196 -6.148 -5.781 -6.274 1.00 0.00 O ATOM 204 CB ALA A1196 -3.012 -5.778 -5.554 1.00 0.00 C ATOM 0 H ALA A1196 -3.190 -4.521 -3.424 1.00 0.00 H new ATOM 0 HA ALA A1196 -4.259 -4.103 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -3.186 -6.281 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -2.099 -5.186 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.908 -6.522 -4.764 1.00 0.00 H new ATOM 210 N ASP A1197 -5.854 -6.213 -4.093 1.00 0.00 N ATOM 211 CA ASP A1197 -7.119 -6.927 -3.948 1.00 0.00 C ATOM 212 C ASP A1197 -8.231 -5.964 -3.546 1.00 0.00 C ATOM 213 O ASP A1197 -9.415 -6.283 -3.645 1.00 0.00 O ATOM 214 CB ASP A1197 -6.986 -8.039 -2.909 1.00 0.00 C ATOM 215 CG ASP A1197 -7.814 -9.262 -3.249 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.046 -9.228 -3.058 1.00 0.00 O ATOM 217 OD2 ASP A1197 -7.232 -10.274 -3.689 1.00 0.00 O ATOM 0 H ASP A1197 -5.290 -6.180 -3.244 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.374 -7.374 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.938 -8.327 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -7.292 -7.658 -1.935 1.00 0.00 H new ATOM 222 N GLY A1198 -7.835 -4.773 -3.111 1.00 0.00 N ATOM 223 CA GLY A1198 -8.792 -3.777 -2.673 1.00 0.00 C ATOM 224 C GLY A1198 -9.218 -3.986 -1.237 1.00 0.00 C ATOM 225 O GLY A1198 -10.337 -3.648 -0.862 1.00 0.00 O ATOM 0 H GLY A1198 -6.860 -4.479 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.355 -2.784 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.669 -3.810 -3.319 1.00 0.00 H new ATOM 229 N SER A1199 -8.322 -4.558 -0.439 1.00 0.00 N ATOM 230 CA SER A1199 -8.591 -4.828 0.966 1.00 0.00 C ATOM 231 C SER A1199 -8.715 -3.533 1.761 1.00 0.00 C ATOM 232 O SER A1199 -9.565 -3.412 2.644 1.00 0.00 O ATOM 233 CB SER A1199 -7.469 -5.686 1.542 1.00 0.00 C ATOM 234 OG SER A1199 -6.387 -5.786 0.627 1.00 0.00 O ATOM 0 H SER A1199 -7.393 -4.846 -0.748 1.00 0.00 H new ATOM 0 HA SER A1199 -9.539 -5.362 1.041 1.00 0.00 H new ATOM 0 HB2 SER A1199 -7.119 -5.253 2.479 1.00 0.00 H new ATOM 0 HB3 SER A1199 -7.849 -6.681 1.773 1.00 0.00 H new ATOM 0 HG SER A1199 -6.240 -6.727 0.395 1.00 0.00 H new ATOM 240 N SER A1200 -7.864 -2.566 1.435 1.00 0.00 N ATOM 241 CA SER A1200 -7.877 -1.276 2.108 1.00 0.00 C ATOM 242 C SER A1200 -7.263 -0.209 1.209 1.00 0.00 C ATOM 243 O SER A1200 -6.743 -0.519 0.133 1.00 0.00 O ATOM 244 CB SER A1200 -7.097 -1.360 3.426 1.00 0.00 C ATOM 245 OG SER A1200 -6.084 -2.357 3.363 1.00 0.00 O ATOM 0 H SER A1200 -7.155 -2.653 0.707 1.00 0.00 H new ATOM 0 HA SER A1200 -8.910 -1.005 2.325 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.645 -0.393 3.646 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.782 -1.585 4.243 1.00 0.00 H new ATOM 0 HG SER A1200 -5.629 -2.307 2.496 1.00 0.00 H new ATOM 251 N CYS A1201 -7.344 1.041 1.639 1.00 0.00 N ATOM 252 CA CYS A1201 -6.655 2.127 0.963 1.00 0.00 C ATOM 253 C CYS A1201 -5.724 2.815 1.942 1.00 0.00 C ATOM 254 O CYS A1201 -6.173 3.445 2.901 1.00 0.00 O ATOM 255 CB CYS A1201 -7.640 3.145 0.383 1.00 0.00 C ATOM 256 SG CYS A1201 -9.364 2.567 0.282 1.00 0.00 S ATOM 0 H CYS A1201 -7.883 1.328 2.456 1.00 0.00 H new ATOM 0 HA CYS A1201 -6.085 1.707 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.609 4.048 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.306 3.424 -0.616 1.00 0.00 H new ATOM 261 N ILE A1202 -4.434 2.679 1.707 1.00 0.00 N ATOM 262 CA ILE A1202 -3.440 3.281 2.570 1.00 0.00 C ATOM 263 C ILE A1202 -3.052 4.647 2.031 1.00 0.00 C ATOM 264 O ILE A1202 -3.263 4.942 0.850 1.00 0.00 O ATOM 265 CB ILE A1202 -2.182 2.388 2.716 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.555 2.087 1.353 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.539 1.091 3.424 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.084 2.427 1.269 1.00 0.00 C ATOM 0 H ILE A1202 -4.049 2.154 0.922 1.00 0.00 H new ATOM 0 HA ILE A1202 -3.880 3.388 3.561 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.450 2.932 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.687 1.029 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.092 2.645 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.647 0.472 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.935 1.314 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.291 0.556 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.289 2.186 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.055 3.491 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.466 1.850 2.012 1.00 0.00 H new ATOM 280 N ASN A1203 -2.514 5.484 2.897 1.00 0.00 N ATOM 281 CA ASN A1203 -2.080 6.810 2.493 1.00 0.00 C ATOM 282 C ASN A1203 -0.810 6.700 1.659 1.00 0.00 C ATOM 283 O ASN A1203 -0.011 5.784 1.861 1.00 0.00 O ATOM 284 CB ASN A1203 -1.848 7.698 3.722 1.00 0.00 C ATOM 285 CG ASN A1203 -3.117 8.386 4.193 1.00 0.00 C ATOM 286 OD1 ASN A1203 -4.159 8.321 3.539 1.00 0.00 O ATOM 287 ND2 ASN A1203 -3.042 9.045 5.340 1.00 0.00 N ATOM 0 H ASN A1203 -2.367 5.271 3.884 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.860 7.272 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.445 7.091 4.533 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -1.097 8.452 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.865 9.521 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.161 9.076 5.853 1.00 0.00 H new ATOM 294 N SER A1204 -0.634 7.625 0.725 1.00 0.00 N ATOM 295 CA SER A1204 0.524 7.635 -0.171 1.00 0.00 C ATOM 296 C SER A1204 1.847 7.773 0.589 1.00 0.00 C ATOM 297 O SER A1204 2.897 7.370 0.090 1.00 0.00 O ATOM 298 CB SER A1204 0.375 8.778 -1.178 1.00 0.00 C ATOM 299 OG SER A1204 -0.927 9.344 -1.113 1.00 0.00 O ATOM 0 H SER A1204 -1.288 8.391 0.564 1.00 0.00 H new ATOM 0 HA SER A1204 0.552 6.677 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.121 9.547 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.565 8.408 -2.185 1.00 0.00 H new ATOM 0 HG SER A1204 -1.418 9.130 -1.934 1.00 0.00 H new ATOM 305 N ARG A1205 1.788 8.318 1.804 1.00 0.00 N ATOM 306 CA ARG A1205 2.975 8.476 2.634 1.00 0.00 C ATOM 307 C ARG A1205 3.443 7.125 3.195 1.00 0.00 C ATOM 308 O ARG A1205 4.584 6.984 3.632 1.00 0.00 O ATOM 309 CB ARG A1205 2.676 9.449 3.773 1.00 0.00 C ATOM 310 CG ARG A1205 1.608 8.948 4.733 1.00 0.00 C ATOM 311 CD ARG A1205 2.120 8.812 6.164 1.00 0.00 C ATOM 312 NE ARG A1205 3.575 8.654 6.250 1.00 0.00 N ATOM 313 CZ ARG A1205 4.421 9.642 6.563 1.00 0.00 C ATOM 314 NH1 ARG A1205 3.962 10.859 6.838 1.00 0.00 N ATOM 315 NH2 ARG A1205 5.727 9.413 6.595 1.00 0.00 N ATOM 0 H ARG A1205 0.927 8.657 2.233 1.00 0.00 H new ATOM 0 HA ARG A1205 3.780 8.876 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.594 9.638 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.357 10.402 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.761 9.634 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.241 7.981 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A1205 1.824 9.693 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A1205 1.640 7.953 6.633 1.00 0.00 H new ATOM 0 HE ARG A1205 3.967 7.732 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A1205 2.959 11.044 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A1205 4.613 11.608 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A1205 6.087 8.483 6.381 1.00 0.00 H new ATOM 0 HH22 ARG A1205 6.371 10.167 6.834 1.00 0.00 H new ATOM 329 N TYR A1206 2.550 6.137 3.171 1.00 0.00 N ATOM 330 CA TYR A1206 2.864 4.798 3.656 1.00 0.00 C ATOM 331 C TYR A1206 3.602 4.005 2.587 1.00 0.00 C ATOM 332 O TYR A1206 4.223 2.989 2.876 1.00 0.00 O ATOM 333 CB TYR A1206 1.587 4.045 4.039 1.00 0.00 C ATOM 334 CG TYR A1206 1.025 4.394 5.395 1.00 0.00 C ATOM 335 CD1 TYR A1206 0.191 5.490 5.558 1.00 0.00 C ATOM 336 CD2 TYR A1206 1.312 3.618 6.507 1.00 0.00 C ATOM 337 CE1 TYR A1206 -0.340 5.806 6.790 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.781 3.922 7.744 1.00 0.00 C ATOM 339 CZ TYR A1206 -0.043 5.019 7.880 1.00 0.00 C ATOM 340 OH TYR A1206 -0.580 5.322 9.109 1.00 0.00 O ATOM 0 H TYR A1206 1.599 6.242 2.818 1.00 0.00 H new ATOM 0 HA TYR A1206 3.497 4.904 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.826 4.243 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.792 2.975 4.011 1.00 0.00 H new ATOM 0 HD1 TYR A1206 -0.047 6.107 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A1206 1.962 2.762 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A1206 -0.985 6.665 6.900 1.00 0.00 H new ATOM 0 HE2 TYR A1206 1.009 3.304 8.600 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.272 4.668 9.771 1.00 0.00 H new ATOM 350 N ARG A1207 3.515 4.471 1.345 1.00 0.00 N ATOM 351 CA ARG A1207 4.150 3.801 0.221 1.00 0.00 C ATOM 352 C ARG A1207 5.666 3.853 0.366 1.00 0.00 C ATOM 353 O ARG A1207 6.250 4.938 0.409 1.00 0.00 O ATOM 354 CB ARG A1207 3.716 4.451 -1.094 1.00 0.00 C ATOM 355 CG ARG A1207 4.173 3.698 -2.328 1.00 0.00 C ATOM 356 CD ARG A1207 3.093 2.757 -2.825 1.00 0.00 C ATOM 357 NE ARG A1207 3.633 1.461 -3.220 1.00 0.00 N ATOM 358 CZ ARG A1207 3.671 1.016 -4.474 1.00 0.00 C ATOM 359 NH1 ARG A1207 3.240 1.773 -5.473 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.143 -0.191 -4.734 1.00 0.00 N ATOM 0 H ARG A1207 3.006 5.318 1.093 1.00 0.00 H new ATOM 0 HA ARG A1207 3.838 2.757 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.629 4.529 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.109 5.467 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.432 4.406 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.076 3.132 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A1207 2.348 2.615 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.581 3.210 -3.674 1.00 0.00 H new ATOM 0 HE ARG A1207 4.006 0.856 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG A1207 2.875 2.707 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A1207 3.274 1.422 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.478 -0.782 -3.973 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.172 -0.531 -5.695 1.00 0.00 H new ATOM 374 N CYS A1208 6.275 2.668 0.463 1.00 0.00 N ATOM 375 CA CYS A1208 7.722 2.529 0.672 1.00 0.00 C ATOM 376 C CYS A1208 8.144 3.136 2.013 1.00 0.00 C ATOM 377 O CYS A1208 8.772 4.193 2.066 1.00 0.00 O ATOM 378 CB CYS A1208 8.515 3.155 -0.484 1.00 0.00 C ATOM 379 SG CYS A1208 8.647 2.085 -1.952 1.00 0.00 S ATOM 0 H CYS A1208 5.781 1.778 0.399 1.00 0.00 H new ATOM 0 HA CYS A1208 7.951 1.464 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.040 4.093 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.518 3.400 -0.133 1.00 0.00 H new ATOM 384 N ASP A1209 7.791 2.452 3.094 1.00 0.00 N ATOM 385 CA ASP A1209 8.083 2.933 4.442 1.00 0.00 C ATOM 386 C ASP A1209 8.730 1.842 5.302 1.00 0.00 C ATOM 387 O ASP A1209 9.162 2.104 6.421 1.00 0.00 O ATOM 388 CB ASP A1209 6.807 3.473 5.108 1.00 0.00 C ATOM 389 CG ASP A1209 5.909 2.397 5.695 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.788 1.310 5.088 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.303 2.646 6.755 1.00 0.00 O ATOM 0 H ASP A1209 7.300 1.558 3.065 1.00 0.00 H new ATOM 0 HA ASP A1209 8.801 3.748 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.089 4.167 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.240 4.043 4.372 1.00 0.00 H new ATOM 396 N GLY A1210 8.805 0.626 4.765 1.00 0.00 N ATOM 397 CA GLY A1210 9.441 -0.471 5.477 1.00 0.00 C ATOM 398 C GLY A1210 8.458 -1.530 5.950 1.00 0.00 C ATOM 399 O GLY A1210 8.811 -2.704 6.069 1.00 0.00 O ATOM 0 H GLY A1210 8.435 0.380 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.181 -0.937 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.978 -0.073 6.338 1.00 0.00 H new ATOM 403 N VAL A1211 7.224 -1.124 6.208 1.00 0.00 N ATOM 404 CA VAL A1211 6.218 -2.017 6.777 1.00 0.00 C ATOM 405 C VAL A1211 5.271 -2.521 5.689 1.00 0.00 C ATOM 406 O VAL A1211 5.313 -2.036 4.563 1.00 0.00 O ATOM 407 CB VAL A1211 5.403 -1.310 7.891 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.937 -2.305 8.942 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.224 -0.209 8.548 1.00 0.00 C ATOM 0 H VAL A1211 6.891 -0.176 6.032 1.00 0.00 H new ATOM 0 HA VAL A1211 6.743 -2.865 7.218 1.00 0.00 H new ATOM 0 HB VAL A1211 4.526 -0.862 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.368 -1.782 9.711 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.306 -3.060 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A1211 5.803 -2.787 9.396 1.00 0.00 H new ATOM 0 HG21 VAL A1211 5.631 0.272 9.326 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.122 -0.640 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.507 0.530 7.799 1.00 0.00 H new ATOM 419 N TYR A1212 4.448 -3.511 6.020 1.00 0.00 N ATOM 420 CA TYR A1212 3.451 -4.040 5.094 1.00 0.00 C ATOM 421 C TYR A1212 2.057 -3.632 5.562 1.00 0.00 C ATOM 422 O TYR A1212 1.534 -4.187 6.534 1.00 0.00 O ATOM 423 CB TYR A1212 3.537 -5.571 5.022 1.00 0.00 C ATOM 424 CG TYR A1212 4.628 -6.121 4.118 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.796 -5.409 3.861 1.00 0.00 C ATOM 426 CD2 TYR A1212 4.484 -7.371 3.530 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.786 -5.929 3.047 1.00 0.00 C ATOM 428 CE2 TYR A1212 5.471 -7.897 2.720 1.00 0.00 C ATOM 429 CZ TYR A1212 6.616 -7.173 2.478 1.00 0.00 C ATOM 430 OH TYR A1212 7.598 -7.700 1.670 1.00 0.00 O ATOM 0 H TYR A1212 4.452 -3.967 6.932 1.00 0.00 H new ATOM 0 HA TYR A1212 3.645 -3.632 4.102 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.694 -5.957 6.029 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.577 -5.956 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A1212 5.932 -4.434 4.305 1.00 0.00 H new ATOM 0 HD2 TYR A1212 3.585 -7.941 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A1212 7.687 -5.364 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A1212 5.345 -8.874 2.278 1.00 0.00 H new ATOM 0 HH TYR A1212 7.320 -8.584 1.352 1.00 0.00 H new ATOM 440 N ASP A1213 1.460 -2.661 4.886 1.00 0.00 N ATOM 441 CA ASP A1213 0.166 -2.129 5.314 1.00 0.00 C ATOM 442 C ASP A1213 -0.972 -2.757 4.523 1.00 0.00 C ATOM 443 O ASP A1213 -2.058 -2.977 5.063 1.00 0.00 O ATOM 444 CB ASP A1213 0.090 -0.597 5.195 1.00 0.00 C ATOM 445 CG ASP A1213 1.411 0.063 4.863 1.00 0.00 C ATOM 446 OD1 ASP A1213 2.313 0.084 5.720 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.565 0.557 3.726 1.00 0.00 O ATOM 0 H ASP A1213 1.843 -2.226 4.046 1.00 0.00 H new ATOM 0 HA ASP A1213 0.063 -2.389 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A1213 -0.637 -0.339 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.282 -0.188 6.134 1.00 0.00 H new ATOM 452 N CYS A1214 -0.729 -3.055 3.254 1.00 0.00 N ATOM 453 CA CYS A1214 -1.732 -3.699 2.424 1.00 0.00 C ATOM 454 C CYS A1214 -1.732 -5.199 2.690 1.00 0.00 C ATOM 455 O CYS A1214 -0.683 -5.790 2.948 1.00 0.00 O ATOM 456 CB CYS A1214 -1.459 -3.427 0.941 1.00 0.00 C ATOM 457 SG CYS A1214 -2.458 -2.079 0.233 1.00 0.00 S ATOM 0 H CYS A1214 0.153 -2.861 2.780 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.711 -3.289 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.403 -3.186 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.647 -4.339 0.375 1.00 0.00 H new ATOM 462 N ARG A1215 -2.909 -5.813 2.616 1.00 0.00 N ATOM 463 CA ARG A1215 -3.056 -7.238 2.908 1.00 0.00 C ATOM 464 C ARG A1215 -2.431 -8.092 1.809 1.00 0.00 C ATOM 465 O ARG A1215 -2.124 -9.267 2.015 1.00 0.00 O ATOM 466 CB ARG A1215 -4.532 -7.591 3.070 1.00 0.00 C ATOM 467 CG ARG A1215 -5.153 -7.042 4.343 1.00 0.00 C ATOM 468 CD ARG A1215 -5.777 -8.145 5.178 1.00 0.00 C ATOM 469 NE ARG A1215 -5.399 -8.045 6.585 1.00 0.00 N ATOM 470 CZ ARG A1215 -4.753 -8.996 7.258 1.00 0.00 C ATOM 471 NH1 ARG A1215 -4.392 -10.120 6.647 1.00 0.00 N ATOM 472 NH2 ARG A1215 -4.467 -8.819 8.544 1.00 0.00 N ATOM 0 H ARG A1215 -3.778 -5.346 2.356 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.532 -7.448 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -5.085 -7.208 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.641 -8.676 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -4.391 -6.528 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.912 -6.303 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.862 -8.097 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -5.468 -9.115 4.787 1.00 0.00 H new ATOM 0 HE ARG A1215 -5.646 -7.191 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -4.609 -10.256 5.660 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -3.897 -10.846 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -4.742 -7.956 9.014 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -3.972 -9.546 9.061 1.00 0.00 H new ATOM 486 N ASP A1216 -2.238 -7.486 0.647 1.00 0.00 N ATOM 487 CA ASP A1216 -1.649 -8.172 -0.492 1.00 0.00 C ATOM 488 C ASP A1216 -0.193 -7.756 -0.697 1.00 0.00 C ATOM 489 O ASP A1216 0.397 -8.069 -1.728 1.00 0.00 O ATOM 490 CB ASP A1216 -2.464 -7.897 -1.759 1.00 0.00 C ATOM 491 CG ASP A1216 -3.019 -6.488 -1.811 1.00 0.00 C ATOM 492 OD1 ASP A1216 -2.225 -5.529 -1.888 1.00 0.00 O ATOM 493 OD2 ASP A1216 -4.254 -6.333 -1.774 1.00 0.00 O ATOM 0 H ASP A1216 -2.483 -6.512 0.468 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.667 -9.242 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.835 -8.066 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -3.288 -8.609 -1.816 1.00 0.00 H new ATOM 498 N ASN A1217 0.361 -7.019 0.286 1.00 0.00 N ATOM 499 CA ASN A1217 1.798 -6.657 0.344 1.00 0.00 C ATOM 500 C ASN A1217 2.232 -5.663 -0.757 1.00 0.00 C ATOM 501 O ASN A1217 3.384 -5.222 -0.782 1.00 0.00 O ATOM 502 CB ASN A1217 2.672 -7.945 0.362 1.00 0.00 C ATOM 503 CG ASN A1217 3.606 -8.130 -0.834 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.178 -8.486 -1.928 1.00 0.00 O ATOM 505 ND2 ASN A1217 4.896 -7.910 -0.625 1.00 0.00 N ATOM 0 H ASN A1217 -0.178 -6.653 1.071 1.00 0.00 H new ATOM 0 HA ASN A1217 1.958 -6.117 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A1217 3.273 -7.941 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A1217 2.011 -8.810 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A1217 5.565 -8.036 -1.385 1.00 0.00 H new ATOM 0 HD22 ASN A1217 5.220 -7.615 0.296 1.00 0.00 H new ATOM 512 N SER A1218 1.286 -5.242 -1.598 1.00 0.00 N ATOM 513 CA SER A1218 1.582 -4.440 -2.793 1.00 0.00 C ATOM 514 C SER A1218 2.198 -3.074 -2.472 1.00 0.00 C ATOM 515 O SER A1218 2.915 -2.505 -3.300 1.00 0.00 O ATOM 516 CB SER A1218 0.310 -4.255 -3.609 1.00 0.00 C ATOM 517 OG SER A1218 -0.320 -5.503 -3.839 1.00 0.00 O ATOM 0 H SER A1218 0.294 -5.445 -1.473 1.00 0.00 H new ATOM 0 HA SER A1218 2.329 -4.990 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.373 -3.588 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.548 -3.780 -4.561 1.00 0.00 H new ATOM 0 HG SER A1218 -1.133 -5.564 -3.296 1.00 0.00 H new ATOM 523 N ASP A1219 1.949 -2.575 -1.265 1.00 0.00 N ATOM 524 CA ASP A1219 2.472 -1.279 -0.823 1.00 0.00 C ATOM 525 C ASP A1219 3.997 -1.269 -0.802 1.00 0.00 C ATOM 526 O ASP A1219 4.622 -0.243 -1.072 1.00 0.00 O ATOM 527 CB ASP A1219 1.944 -0.931 0.576 1.00 0.00 C ATOM 528 CG ASP A1219 2.198 -2.038 1.591 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.542 -3.099 1.491 1.00 0.00 O ATOM 530 OD2 ASP A1219 3.043 -1.866 2.474 1.00 0.00 O ATOM 0 H ASP A1219 1.381 -3.053 -0.565 1.00 0.00 H new ATOM 0 HA ASP A1219 2.129 -0.532 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.418 -0.012 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.873 -0.735 0.518 1.00 0.00 H new ATOM 535 N GLU A1220 4.586 -2.414 -0.491 1.00 0.00 N ATOM 536 CA GLU A1220 6.032 -2.533 -0.420 1.00 0.00 C ATOM 537 C GLU A1220 6.556 -3.486 -1.492 1.00 0.00 C ATOM 538 O GLU A1220 7.766 -3.650 -1.651 1.00 0.00 O ATOM 539 CB GLU A1220 6.438 -3.014 0.972 1.00 0.00 C ATOM 540 CG GLU A1220 7.682 -2.333 1.518 1.00 0.00 C ATOM 541 CD GLU A1220 7.463 -0.874 1.874 1.00 0.00 C ATOM 542 OE1 GLU A1220 6.304 -0.404 1.890 1.00 0.00 O ATOM 543 OE2 GLU A1220 8.456 -0.184 2.152 1.00 0.00 O ATOM 0 H GLU A1220 4.082 -3.276 -0.283 1.00 0.00 H new ATOM 0 HA GLU A1220 6.474 -1.554 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.610 -2.844 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A1220 6.609 -4.090 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A1220 8.021 -2.869 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.480 -2.403 0.779 1.00 0.00 H new ATOM 550 N ALA A1221 5.640 -4.109 -2.228 1.00 0.00 N ATOM 551 CA ALA A1221 6.008 -5.020 -3.308 1.00 0.00 C ATOM 552 C ALA A1221 6.597 -4.254 -4.485 1.00 0.00 C ATOM 553 O ALA A1221 7.542 -4.707 -5.128 1.00 0.00 O ATOM 554 CB ALA A1221 4.802 -5.828 -3.758 1.00 0.00 C ATOM 0 H ALA A1221 4.635 -3.999 -2.096 1.00 0.00 H new ATOM 0 HA ALA A1221 6.766 -5.705 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.095 -6.501 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A1221 4.420 -6.410 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.024 -5.153 -4.115 1.00 0.00 H new ATOM 560 N GLY A1222 6.035 -3.082 -4.749 1.00 0.00 N ATOM 561 CA GLY A1222 6.527 -2.236 -5.823 1.00 0.00 C ATOM 562 C GLY A1222 7.591 -1.264 -5.355 1.00 0.00 C ATOM 563 O GLY A1222 7.799 -0.220 -5.974 1.00 0.00 O ATOM 0 H GLY A1222 5.242 -2.698 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A1222 6.935 -2.862 -6.616 1.00 0.00 H new ATOM 0 HA3 GLY A1222 5.694 -1.679 -6.253 1.00 0.00 H new ATOM 567 N CYS A1223 8.256 -1.603 -4.259 1.00 0.00 N ATOM 568 CA CYS A1223 9.317 -0.773 -3.716 1.00 0.00 C ATOM 569 C CYS A1223 10.664 -1.206 -4.281 1.00 0.00 C ATOM 570 O CYS A1223 10.947 -2.402 -4.373 1.00 0.00 O ATOM 571 CB CYS A1223 9.332 -0.864 -2.188 1.00 0.00 C ATOM 572 SG CYS A1223 9.940 0.639 -1.362 1.00 0.00 S ATOM 0 H CYS A1223 8.076 -2.454 -3.727 1.00 0.00 H new ATOM 0 HA CYS A1223 9.132 0.262 -4.003 1.00 0.00 H new ATOM 0 HB2 CYS A1223 8.322 -1.076 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A1223 9.956 -1.707 -1.891 1.00 0.00 H new ATOM 577 N PRO A1224 11.501 -0.242 -4.688 1.00 0.00 N ATOM 578 CA PRO A1224 12.832 -0.523 -5.224 1.00 0.00 C ATOM 579 C PRO A1224 13.853 -0.816 -4.130 1.00 0.00 C ATOM 580 O PRO A1224 13.515 -0.888 -2.941 1.00 0.00 O ATOM 581 CB PRO A1224 13.184 0.774 -5.948 1.00 0.00 C ATOM 582 CG PRO A1224 12.488 1.833 -5.166 1.00 0.00 C ATOM 583 CD PRO A1224 11.213 1.209 -4.666 1.00 0.00 C ATOM 0 HA PRO A1224 12.843 -1.409 -5.859 1.00 0.00 H new ATOM 0 HB2 PRO A1224 14.261 0.938 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A1224 12.844 0.756 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A1224 13.106 2.175 -4.336 1.00 0.00 H new ATOM 0 HG3 PRO A1224 12.279 2.703 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.966 1.553 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A1224 10.367 1.459 -5.306 1.00 0.00 H new ATOM 591 N THR A1225 15.097 -0.999 -4.540 1.00 0.00 N ATOM 592 CA THR A1225 16.195 -1.196 -3.611 1.00 0.00 C ATOM 593 C THR A1225 16.452 0.075 -2.803 1.00 0.00 C ATOM 594 O THR A1225 16.604 1.162 -3.364 1.00 0.00 O ATOM 595 CB THR A1225 17.469 -1.602 -4.367 1.00 0.00 C ATOM 596 OG1 THR A1225 17.127 -1.997 -5.709 1.00 0.00 O ATOM 597 CG2 THR A1225 18.170 -2.746 -3.655 1.00 0.00 C ATOM 0 H THR A1225 15.373 -1.015 -5.522 1.00 0.00 H new ATOM 0 HA THR A1225 15.920 -1.997 -2.924 1.00 0.00 H new ATOM 0 HB THR A1225 18.146 -0.748 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A1225 17.940 -2.254 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A1225 19.070 -3.020 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A1225 18.442 -2.435 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A1225 17.502 -3.605 -3.602 1.00 0.00 H new ATOM 605 N ARG A1226 16.484 -0.074 -1.487 1.00 0.00 N ATOM 606 CA ARG A1226 16.617 1.058 -0.583 1.00 0.00 C ATOM 607 C ARG A1226 18.076 1.236 -0.175 1.00 0.00 C ATOM 608 O ARG A1226 18.834 0.264 -0.177 1.00 0.00 O ATOM 609 CB ARG A1226 15.736 0.841 0.652 1.00 0.00 C ATOM 610 CG ARG A1226 14.293 0.517 0.312 1.00 0.00 C ATOM 611 CD ARG A1226 13.402 1.735 0.458 1.00 0.00 C ATOM 612 NE ARG A1226 12.986 1.933 1.846 1.00 0.00 N ATOM 613 CZ ARG A1226 11.869 1.433 2.373 1.00 0.00 C ATOM 614 NH1 ARG A1226 11.026 0.731 1.622 1.00 0.00 N ATOM 615 NH2 ARG A1226 11.596 1.633 3.652 1.00 0.00 N ATOM 0 H ARG A1226 16.419 -0.978 -1.018 1.00 0.00 H new ATOM 0 HA ARG A1226 16.290 1.964 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A1226 16.152 0.029 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A1226 15.763 1.738 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A1226 14.234 0.142 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A1226 13.934 -0.279 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A1226 13.933 2.620 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A1226 12.521 1.620 -0.174 1.00 0.00 H new ATOM 0 HE ARG A1226 13.590 2.490 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A1226 11.232 0.572 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A1226 10.173 0.351 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A1226 12.240 2.169 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A1226 10.741 1.251 4.057 1.00 0.00 H new ATOM 629 N PRO A1227 18.490 2.479 0.166 1.00 0.00 N ATOM 630 CA PRO A1227 19.876 2.792 0.552 1.00 0.00 C ATOM 631 C PRO A1227 20.371 1.921 1.707 1.00 0.00 C ATOM 632 O PRO A1227 19.780 1.920 2.790 1.00 0.00 O ATOM 633 CB PRO A1227 19.818 4.271 0.976 1.00 0.00 C ATOM 634 CG PRO A1227 18.372 4.571 1.167 1.00 0.00 C ATOM 635 CD PRO A1227 17.646 3.684 0.201 1.00 0.00 C ATOM 0 HA PRO A1227 20.572 2.602 -0.265 1.00 0.00 H new ATOM 0 HB2 PRO A1227 20.379 4.438 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A1227 20.256 4.916 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A1227 18.062 4.370 2.193 1.00 0.00 H new ATOM 0 HG3 PRO A1227 18.160 5.622 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A1227 16.635 3.460 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A1227 17.558 4.145 -0.783 1.00 0.00 H new ATOM 643 N PRO A1228 21.449 1.150 1.472 1.00 0.00 N ATOM 644 CA PRO A1228 22.014 0.236 2.473 1.00 0.00 C ATOM 645 C PRO A1228 22.485 0.969 3.726 1.00 0.00 C ATOM 646 O PRO A1228 23.196 1.974 3.642 1.00 0.00 O ATOM 647 CB PRO A1228 23.203 -0.407 1.751 1.00 0.00 C ATOM 648 CG PRO A1228 22.940 -0.199 0.301 1.00 0.00 C ATOM 649 CD PRO A1228 22.203 1.103 0.206 1.00 0.00 C ATOM 0 HA PRO A1228 21.275 -0.485 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A1228 24.143 0.056 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A1228 23.281 -1.468 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A1228 23.871 -0.164 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A1228 22.347 -1.016 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A1228 22.886 1.947 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A1228 21.541 1.130 -0.659 1.00 0.00 H new ATOM 657 N GLY A1229 22.066 0.475 4.879 1.00 0.00 N ATOM 658 CA GLY A1229 22.400 1.111 6.133 1.00 0.00 C ATOM 659 C GLY A1229 21.332 0.859 7.169 1.00 0.00 C ATOM 660 O GLY A1229 20.778 -0.260 7.183 1.00 0.00 O ATOM 661 OXT GLY A1229 21.036 1.770 7.963 1.00 0.00 O ATOM 0 H GLY A1229 21.494 -0.365 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A1229 23.357 0.733 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A1229 22.518 2.184 5.981 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.163 0.212 3.319 1.00 0.00 CA