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: A1203 ASN : amide:sc= 0.0428 K(o=1.1,f=-3.9!) USER MOD Set 1.2: A1204 SER OG : rot -111:sc= 1.11 USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.031) USER MOD Single : A1189 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A1190 SER OG : rot 180:sc= 0.117 USER MOD Single : A1192 GLN : amide:sc= -0.627 K(o=-0.63,f=-7.2!) USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot -98:sc= 1.77 USER MOD Single : A1200 SER OG : rot 180:sc= 0 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 X(o=0,f=-0.02) USER MOD Single : A1218 SER OG : rot 69:sc= 1.1 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -20.028 -10.793 6.121 1.00 0.00 N ATOM 2 CA GLY A1182 -19.098 -9.776 6.550 1.00 0.00 C ATOM 3 C GLY A1182 -18.131 -9.388 5.454 1.00 0.00 C ATOM 4 O GLY A1182 -17.419 -10.236 4.918 1.00 0.00 O ATOM 0 HA2 GLY A1182 -19.651 -8.894 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -18.540 -10.137 7.414 1.00 0.00 H new ATOM 10 N ALA A1183 -18.120 -8.110 5.103 1.00 0.00 N ATOM 11 CA ALA A1183 -17.204 -7.595 4.097 1.00 0.00 C ATOM 12 C ALA A1183 -16.509 -6.348 4.624 1.00 0.00 C ATOM 13 O ALA A1183 -17.016 -5.691 5.535 1.00 0.00 O ATOM 14 CB ALA A1183 -17.954 -7.286 2.808 1.00 0.00 C ATOM 0 H ALA A1183 -18.740 -7.407 5.504 1.00 0.00 H new ATOM 0 HA ALA A1183 -16.450 -8.352 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -17.256 -6.901 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -18.421 -8.196 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -18.723 -6.539 3.005 1.00 0.00 H new ATOM 20 N MET A1184 -15.354 -6.027 4.068 1.00 0.00 N ATOM 21 CA MET A1184 -14.620 -4.846 4.490 1.00 0.00 C ATOM 22 C MET A1184 -14.305 -3.949 3.298 1.00 0.00 C ATOM 23 O MET A1184 -13.168 -3.891 2.826 1.00 0.00 O ATOM 24 CB MET A1184 -13.331 -5.241 5.223 1.00 0.00 C ATOM 25 CG MET A1184 -12.830 -4.177 6.197 1.00 0.00 C ATOM 26 SD MET A1184 -14.169 -3.334 7.067 1.00 0.00 S ATOM 27 CE MET A1184 -13.522 -1.665 7.147 1.00 0.00 C ATOM 0 H MET A1184 -14.905 -6.565 3.326 1.00 0.00 H new ATOM 0 HA MET A1184 -15.250 -4.286 5.181 1.00 0.00 H new ATOM 0 HB2 MET A1184 -13.503 -6.169 5.769 1.00 0.00 H new ATOM 0 HB3 MET A1184 -12.552 -5.444 4.488 1.00 0.00 H new ATOM 0 HG2 MET A1184 -12.166 -4.642 6.926 1.00 0.00 H new ATOM 0 HG3 MET A1184 -12.239 -3.442 5.651 1.00 0.00 H new ATOM 0 HE1 MET A1184 -14.238 -1.021 7.659 1.00 0.00 H new ATOM 0 HE2 MET A1184 -12.579 -1.666 7.694 1.00 0.00 H new ATOM 0 HE3 MET A1184 -13.355 -1.291 6.137 1.00 0.00 H new ATOM 37 N VAL A1185 -15.327 -3.269 2.799 1.00 0.00 N ATOM 38 CA VAL A1185 -15.151 -2.303 1.722 1.00 0.00 C ATOM 39 C VAL A1185 -15.160 -0.891 2.294 1.00 0.00 C ATOM 40 O VAL A1185 -16.076 -0.518 3.027 1.00 0.00 O ATOM 41 CB VAL A1185 -16.251 -2.418 0.639 1.00 0.00 C ATOM 42 CG1 VAL A1185 -15.757 -1.865 -0.689 1.00 0.00 C ATOM 43 CG2 VAL A1185 -16.719 -3.858 0.469 1.00 0.00 C ATOM 0 H VAL A1185 -16.289 -3.368 3.123 1.00 0.00 H new ATOM 0 HA VAL A1185 -14.194 -2.520 1.248 1.00 0.00 H new ATOM 0 HB VAL A1185 -17.103 -1.825 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -16.545 -1.955 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -15.489 -0.815 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -14.882 -2.428 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -17.491 -3.901 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -15.876 -4.482 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -17.125 -4.222 1.413 1.00 0.00 H new ATOM 53 N LEU A1186 -14.138 -0.116 1.970 1.00 0.00 N ATOM 54 CA LEU A1186 -14.019 1.243 2.488 1.00 0.00 C ATOM 55 C LEU A1186 -14.005 2.247 1.338 1.00 0.00 C ATOM 56 O LEU A1186 -14.207 1.872 0.180 1.00 0.00 O ATOM 57 CB LEU A1186 -12.756 1.401 3.351 1.00 0.00 C ATOM 58 CG LEU A1186 -11.587 0.481 3.000 1.00 0.00 C ATOM 59 CD1 LEU A1186 -10.266 1.217 3.139 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.602 -0.758 3.882 1.00 0.00 C ATOM 0 H LEU A1186 -13.378 -0.401 1.352 1.00 0.00 H new ATOM 0 HA LEU A1186 -14.885 1.441 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -12.415 2.434 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -13.028 1.230 4.393 1.00 0.00 H new ATOM 0 HG LEU A1186 -11.697 0.168 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -9.446 0.545 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -10.254 2.074 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.148 1.561 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -10.763 -1.402 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -11.518 -0.461 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -12.536 -1.300 3.733 1.00 0.00 H new ATOM 72 N ASN A1187 -13.783 3.514 1.659 1.00 0.00 N ATOM 73 CA ASN A1187 -13.743 4.561 0.643 1.00 0.00 C ATOM 74 C ASN A1187 -12.451 5.367 0.765 1.00 0.00 C ATOM 75 O ASN A1187 -12.048 5.771 1.861 1.00 0.00 O ATOM 76 CB ASN A1187 -15.003 5.455 0.726 1.00 0.00 C ATOM 77 CG ASN A1187 -14.785 6.803 1.400 1.00 0.00 C ATOM 78 OD1 ASN A1187 -14.422 7.790 0.752 1.00 0.00 O ATOM 79 ND2 ASN A1187 -15.019 6.856 2.701 1.00 0.00 N ATOM 0 H ASN A1187 -13.628 3.843 2.612 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.748 4.099 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -15.378 5.625 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -15.780 4.915 1.268 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -14.901 7.735 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -15.318 6.018 3.200 1.00 0.00 H new ATOM 86 N CYS A1188 -11.778 5.550 -0.360 1.00 0.00 N ATOM 87 CA CYS A1188 -10.508 6.262 -0.403 1.00 0.00 C ATOM 88 C CYS A1188 -10.409 7.057 -1.699 1.00 0.00 C ATOM 89 O CYS A1188 -11.191 6.840 -2.627 1.00 0.00 O ATOM 90 CB CYS A1188 -9.333 5.275 -0.306 1.00 0.00 C ATOM 91 SG CYS A1188 -9.656 3.811 0.736 1.00 0.00 S ATOM 0 H CYS A1188 -12.095 5.210 -1.268 1.00 0.00 H new ATOM 0 HA CYS A1188 -10.460 6.944 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -9.073 4.940 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.464 5.802 0.089 1.00 0.00 H new ATOM 96 N THR A1189 -9.460 7.979 -1.760 1.00 0.00 N ATOM 97 CA THR A1189 -9.240 8.762 -2.965 1.00 0.00 C ATOM 98 C THR A1189 -8.216 8.067 -3.864 1.00 0.00 C ATOM 99 O THR A1189 -7.501 7.166 -3.418 1.00 0.00 O ATOM 100 CB THR A1189 -8.779 10.208 -2.629 1.00 0.00 C ATOM 101 OG1 THR A1189 -8.571 10.964 -3.829 1.00 0.00 O ATOM 102 CG2 THR A1189 -7.498 10.214 -1.807 1.00 0.00 C ATOM 0 H THR A1189 -8.831 8.203 -0.989 1.00 0.00 H new ATOM 0 HA THR A1189 -10.188 8.835 -3.497 1.00 0.00 H new ATOM 0 HB THR A1189 -9.572 10.667 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A1189 -8.283 11.872 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A1189 -7.208 11.243 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.664 9.681 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A1189 -6.703 9.723 -2.368 1.00 0.00 H new ATOM 110 N SER A1190 -8.156 8.484 -5.124 1.00 0.00 N ATOM 111 CA SER A1190 -7.232 7.913 -6.097 1.00 0.00 C ATOM 112 C SER A1190 -5.791 8.356 -5.815 1.00 0.00 C ATOM 113 O SER A1190 -4.836 7.764 -6.319 1.00 0.00 O ATOM 114 CB SER A1190 -7.653 8.328 -7.508 1.00 0.00 C ATOM 115 OG SER A1190 -8.817 9.144 -7.472 1.00 0.00 O ATOM 0 H SER A1190 -8.746 9.227 -5.499 1.00 0.00 H new ATOM 0 HA SER A1190 -7.267 6.827 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.839 8.870 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.845 7.440 -8.110 1.00 0.00 H new ATOM 0 HG SER A1190 -9.066 9.399 -8.385 1.00 0.00 H new ATOM 121 N ALA A1191 -5.650 9.403 -5.003 1.00 0.00 N ATOM 122 CA ALA A1191 -4.339 9.872 -4.570 1.00 0.00 C ATOM 123 C ALA A1191 -3.751 8.935 -3.522 1.00 0.00 C ATOM 124 O ALA A1191 -2.533 8.851 -3.359 1.00 0.00 O ATOM 125 CB ALA A1191 -4.440 11.278 -4.015 1.00 0.00 C ATOM 0 H ALA A1191 -6.432 9.943 -4.632 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.676 9.882 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.454 11.615 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.820 11.947 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.119 11.285 -3.163 1.00 0.00 H new ATOM 131 N GLN A1192 -4.631 8.238 -2.815 1.00 0.00 N ATOM 132 CA GLN A1192 -4.228 7.265 -1.817 1.00 0.00 C ATOM 133 C GLN A1192 -3.857 5.960 -2.501 1.00 0.00 C ATOM 134 O GLN A1192 -4.366 5.656 -3.582 1.00 0.00 O ATOM 135 CB GLN A1192 -5.362 7.038 -0.819 1.00 0.00 C ATOM 136 CG GLN A1192 -5.304 7.965 0.381 1.00 0.00 C ATOM 137 CD GLN A1192 -6.583 7.965 1.188 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.688 7.964 0.640 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.446 7.980 2.497 1.00 0.00 N ATOM 0 H GLN A1192 -5.641 8.333 -2.919 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.360 7.642 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.316 7.174 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.330 6.005 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.475 7.668 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.095 8.979 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -5.514 7.980 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.271 7.991 3.096 1.00 0.00 H new ATOM 148 N PHE A1193 -2.977 5.192 -1.885 1.00 0.00 N ATOM 149 CA PHE A1193 -2.537 3.948 -2.481 1.00 0.00 C ATOM 150 C PHE A1193 -3.515 2.829 -2.165 1.00 0.00 C ATOM 151 O PHE A1193 -3.625 2.388 -1.022 1.00 0.00 O ATOM 152 CB PHE A1193 -1.135 3.558 -2.009 1.00 0.00 C ATOM 153 CG PHE A1193 -0.666 2.274 -2.633 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.395 2.211 -3.991 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.526 1.127 -1.869 1.00 0.00 C ATOM 156 CE1 PHE A1193 0.006 1.028 -4.574 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.124 -0.055 -2.448 1.00 0.00 C ATOM 158 CZ PHE A1193 0.141 -0.107 -3.801 1.00 0.00 C ATOM 0 H PHE A1193 -2.557 5.406 -0.980 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.501 4.102 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.435 4.357 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.134 3.455 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.499 3.098 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -0.734 1.161 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.214 0.990 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.016 -0.943 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.454 -1.036 -4.255 1.00 0.00 H new ATOM 168 N LYS A1194 -4.228 2.383 -3.178 1.00 0.00 N ATOM 169 CA LYS A1194 -5.103 1.239 -3.041 1.00 0.00 C ATOM 170 C LYS A1194 -4.294 -0.044 -3.189 1.00 0.00 C ATOM 171 O LYS A1194 -3.307 -0.078 -3.930 1.00 0.00 O ATOM 172 CB LYS A1194 -6.209 1.295 -4.097 1.00 0.00 C ATOM 173 CG LYS A1194 -7.380 0.371 -3.810 1.00 0.00 C ATOM 174 CD LYS A1194 -8.683 1.142 -3.712 1.00 0.00 C ATOM 175 CE LYS A1194 -9.804 0.441 -4.460 1.00 0.00 C ATOM 176 NZ LYS A1194 -9.914 0.902 -5.870 1.00 0.00 N ATOM 0 H LYS A1194 -4.218 2.798 -4.110 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.565 1.255 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.576 2.319 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -5.785 1.038 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.457 -0.377 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.202 -0.166 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.960 1.258 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.545 2.144 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.632 -0.635 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.749 0.620 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -10.692 0.397 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.105 1.924 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -9.023 0.708 -6.369 1.00 0.00 H new ATOM 190 N CYS A1195 -4.699 -1.082 -2.469 1.00 0.00 N ATOM 191 CA CYS A1195 -4.088 -2.400 -2.600 1.00 0.00 C ATOM 192 C CYS A1195 -4.318 -2.951 -4.010 1.00 0.00 C ATOM 193 O CYS A1195 -5.230 -2.501 -4.709 1.00 0.00 O ATOM 194 CB CYS A1195 -4.693 -3.354 -1.564 1.00 0.00 C ATOM 195 SG CYS A1195 -3.477 -4.364 -0.661 1.00 0.00 S ATOM 0 H CYS A1195 -5.453 -1.037 -1.784 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.015 -2.312 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.267 -2.771 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.395 -4.019 -2.068 1.00 0.00 H new ATOM 200 N ALA A1196 -3.505 -3.921 -4.422 1.00 0.00 N ATOM 201 CA ALA A1196 -3.645 -4.526 -5.748 1.00 0.00 C ATOM 202 C ALA A1196 -4.963 -5.280 -5.867 1.00 0.00 C ATOM 203 O ALA A1196 -5.570 -5.333 -6.938 1.00 0.00 O ATOM 204 CB ALA A1196 -2.474 -5.451 -6.037 1.00 0.00 C ATOM 0 H ALA A1196 -2.745 -4.305 -3.861 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.646 -3.725 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.594 -5.892 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.545 -4.883 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.442 -6.243 -5.288 1.00 0.00 H new ATOM 210 N ASP A1197 -5.399 -5.852 -4.752 1.00 0.00 N ATOM 211 CA ASP A1197 -6.687 -6.524 -4.681 1.00 0.00 C ATOM 212 C ASP A1197 -7.827 -5.503 -4.667 1.00 0.00 C ATOM 213 O ASP A1197 -8.930 -5.776 -5.135 1.00 0.00 O ATOM 214 CB ASP A1197 -6.742 -7.401 -3.431 1.00 0.00 C ATOM 215 CG ASP A1197 -8.008 -8.225 -3.346 1.00 0.00 C ATOM 216 OD1 ASP A1197 -8.214 -9.095 -4.215 1.00 0.00 O ATOM 217 OD2 ASP A1197 -8.789 -8.017 -2.397 1.00 0.00 O ATOM 0 H ASP A1197 -4.873 -5.863 -3.878 1.00 0.00 H new ATOM 0 HA ASP A1197 -6.806 -7.153 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.879 -8.067 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -6.666 -6.769 -2.546 1.00 0.00 H new ATOM 222 N GLY A1198 -7.534 -4.315 -4.145 1.00 0.00 N ATOM 223 CA GLY A1198 -8.525 -3.253 -4.089 1.00 0.00 C ATOM 224 C GLY A1198 -9.365 -3.280 -2.823 1.00 0.00 C ATOM 225 O GLY A1198 -10.362 -2.568 -2.726 1.00 0.00 O ATOM 0 H GLY A1198 -6.623 -4.068 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.020 -2.290 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.183 -3.333 -4.955 1.00 0.00 H new ATOM 229 N SER A1199 -8.954 -4.091 -1.854 1.00 0.00 N ATOM 230 CA SER A1199 -9.697 -4.249 -0.607 1.00 0.00 C ATOM 231 C SER A1199 -9.534 -3.033 0.305 1.00 0.00 C ATOM 232 O SER A1199 -10.517 -2.416 0.722 1.00 0.00 O ATOM 233 CB SER A1199 -9.219 -5.509 0.111 1.00 0.00 C ATOM 234 OG SER A1199 -8.143 -6.109 -0.594 1.00 0.00 O ATOM 0 H SER A1199 -8.105 -4.653 -1.908 1.00 0.00 H new ATOM 0 HA SER A1199 -10.756 -4.338 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A1199 -8.903 -5.259 1.124 1.00 0.00 H new ATOM 0 HB3 SER A1199 -10.042 -6.218 0.200 1.00 0.00 H new ATOM 0 HG SER A1199 -8.482 -6.846 -1.143 1.00 0.00 H new ATOM 240 N SER A1200 -8.291 -2.699 0.625 1.00 0.00 N ATOM 241 CA SER A1200 -8.006 -1.571 1.501 1.00 0.00 C ATOM 242 C SER A1200 -7.069 -0.580 0.816 1.00 0.00 C ATOM 243 O SER A1200 -6.342 -0.942 -0.111 1.00 0.00 O ATOM 244 CB SER A1200 -7.389 -2.062 2.818 1.00 0.00 C ATOM 245 OG SER A1200 -7.449 -3.479 2.920 1.00 0.00 O ATOM 0 H SER A1200 -7.464 -3.193 0.291 1.00 0.00 H new ATOM 0 HA SER A1200 -8.944 -1.062 1.721 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.351 -1.734 2.880 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.916 -1.612 3.659 1.00 0.00 H new ATOM 0 HG SER A1200 -7.047 -3.763 3.768 1.00 0.00 H new ATOM 251 N CYS A1201 -7.104 0.667 1.263 1.00 0.00 N ATOM 252 CA CYS A1201 -6.236 1.700 0.722 1.00 0.00 C ATOM 253 C CYS A1201 -5.555 2.455 1.854 1.00 0.00 C ATOM 254 O CYS A1201 -6.194 2.811 2.847 1.00 0.00 O ATOM 255 CB CYS A1201 -7.023 2.683 -0.149 1.00 0.00 C ATOM 256 SG CYS A1201 -8.795 2.299 -0.297 1.00 0.00 S ATOM 0 H CYS A1201 -7.728 0.988 2.003 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.483 1.215 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -6.914 3.685 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.582 2.700 -1.146 1.00 0.00 H new ATOM 261 N ILE A1202 -4.265 2.685 1.699 1.00 0.00 N ATOM 262 CA ILE A1202 -3.480 3.426 2.674 1.00 0.00 C ATOM 263 C ILE A1202 -3.071 4.767 2.083 1.00 0.00 C ATOM 264 O ILE A1202 -3.452 5.093 0.961 1.00 0.00 O ATOM 265 CB ILE A1202 -2.214 2.649 3.107 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.616 1.867 1.929 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.543 1.712 4.256 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.150 2.154 1.695 1.00 0.00 C ATOM 0 H ILE A1202 -3.729 2.364 0.893 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.101 3.574 3.558 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.469 3.370 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.745 0.800 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.174 2.107 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.645 1.170 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.914 2.290 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.307 1.002 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.205 1.567 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A1202 -0.016 3.215 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.420 1.887 2.585 1.00 0.00 H new ATOM 280 N ASN A1203 -2.301 5.545 2.825 1.00 0.00 N ATOM 281 CA ASN A1203 -1.834 6.826 2.331 1.00 0.00 C ATOM 282 C ASN A1203 -0.664 6.628 1.378 1.00 0.00 C ATOM 283 O ASN A1203 0.046 5.622 1.445 1.00 0.00 O ATOM 284 CB ASN A1203 -1.417 7.722 3.496 1.00 0.00 C ATOM 285 CG ASN A1203 -1.637 9.199 3.219 1.00 0.00 C ATOM 286 OD1 ASN A1203 -1.199 9.727 2.201 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.312 9.877 4.130 1.00 0.00 N ATOM 0 H ASN A1203 -1.988 5.312 3.767 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.648 7.309 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.980 7.437 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.363 7.553 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -2.485 10.874 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.661 9.404 4.964 1.00 0.00 H new ATOM 294 N SER A1204 -0.458 7.605 0.506 1.00 0.00 N ATOM 295 CA SER A1204 0.612 7.577 -0.477 1.00 0.00 C ATOM 296 C SER A1204 1.983 7.685 0.191 1.00 0.00 C ATOM 297 O SER A1204 3.002 7.312 -0.394 1.00 0.00 O ATOM 298 CB SER A1204 0.410 8.729 -1.458 1.00 0.00 C ATOM 299 OG SER A1204 -0.806 9.412 -1.181 1.00 0.00 O ATOM 0 H SER A1204 -1.034 8.445 0.462 1.00 0.00 H new ATOM 0 HA SER A1204 0.580 6.625 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.247 9.423 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.395 8.347 -2.479 1.00 0.00 H new ATOM 0 HG SER A1204 -1.444 9.253 -1.908 1.00 0.00 H new ATOM 305 N ARG A1205 2.004 8.174 1.432 1.00 0.00 N ATOM 306 CA ARG A1205 3.256 8.319 2.170 1.00 0.00 C ATOM 307 C ARG A1205 3.657 7.004 2.836 1.00 0.00 C ATOM 308 O ARG A1205 4.757 6.873 3.362 1.00 0.00 O ATOM 309 CB ARG A1205 3.148 9.430 3.219 1.00 0.00 C ATOM 310 CG ARG A1205 2.061 9.208 4.255 1.00 0.00 C ATOM 311 CD ARG A1205 1.599 10.523 4.857 1.00 0.00 C ATOM 312 NE ARG A1205 1.237 11.503 3.830 1.00 0.00 N ATOM 313 CZ ARG A1205 0.369 12.501 4.015 1.00 0.00 C ATOM 314 NH1 ARG A1205 -0.290 12.622 5.165 1.00 0.00 N ATOM 315 NH2 ARG A1205 0.141 13.361 3.032 1.00 0.00 N ATOM 0 H ARG A1205 1.174 8.474 1.943 1.00 0.00 H new ATOM 0 HA ARG A1205 4.030 8.592 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A1205 4.106 9.526 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.962 10.376 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A1205 1.215 8.699 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A1205 2.435 8.555 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A1205 0.741 10.343 5.504 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.391 10.932 5.484 1.00 0.00 H new ATOM 0 HE ARG A1205 1.677 11.418 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A1205 -0.134 11.949 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A1205 -0.951 13.388 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A1205 0.627 13.258 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A1205 -0.521 14.126 3.166 1.00 0.00 H new ATOM 329 N TYR A1206 2.760 6.028 2.801 1.00 0.00 N ATOM 330 CA TYR A1206 3.032 4.730 3.393 1.00 0.00 C ATOM 331 C TYR A1206 3.512 3.748 2.335 1.00 0.00 C ATOM 332 O TYR A1206 3.867 2.619 2.642 1.00 0.00 O ATOM 333 CB TYR A1206 1.788 4.198 4.102 1.00 0.00 C ATOM 334 CG TYR A1206 1.554 4.855 5.438 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.313 4.504 6.546 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.587 5.837 5.592 1.00 0.00 C ATOM 337 CE1 TYR A1206 2.113 5.114 7.768 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.385 6.456 6.809 1.00 0.00 C ATOM 339 CZ TYR A1206 1.148 6.089 7.896 1.00 0.00 C ATOM 340 OH TYR A1206 0.950 6.702 9.112 1.00 0.00 O ATOM 0 H TYR A1206 1.840 6.112 2.369 1.00 0.00 H new ATOM 0 HA TYR A1206 3.825 4.846 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.917 4.356 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.888 3.122 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.072 3.742 6.450 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.019 6.122 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.711 4.828 8.621 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.367 7.224 6.909 1.00 0.00 H new ATOM 0 HH TYR A1206 0.234 7.366 9.031 1.00 0.00 H new ATOM 350 N ARG A1207 3.526 4.188 1.087 1.00 0.00 N ATOM 351 CA ARG A1207 4.067 3.380 0.008 1.00 0.00 C ATOM 352 C ARG A1207 5.591 3.382 0.088 1.00 0.00 C ATOM 353 O ARG A1207 6.210 4.446 0.009 1.00 0.00 O ATOM 354 CB ARG A1207 3.600 3.925 -1.342 1.00 0.00 C ATOM 355 CG ARG A1207 4.119 3.142 -2.537 1.00 0.00 C ATOM 356 CD ARG A1207 3.183 2.002 -2.900 1.00 0.00 C ATOM 357 NE ARG A1207 3.723 1.154 -3.965 1.00 0.00 N ATOM 358 CZ ARG A1207 3.631 1.433 -5.268 1.00 0.00 C ATOM 359 NH1 ARG A1207 3.072 2.569 -5.679 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.103 0.571 -6.162 1.00 0.00 N ATOM 0 H ARG A1207 3.169 5.099 0.797 1.00 0.00 H new ATOM 0 HA ARG A1207 3.708 2.356 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.510 3.924 -1.365 1.00 0.00 H new ATOM 0 HB3 ARG A1207 3.920 4.963 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.230 3.810 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.109 2.745 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A1207 2.995 1.394 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.223 2.410 -3.216 1.00 0.00 H new ATOM 0 HE ARG A1207 4.200 0.294 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A1207 2.710 3.235 -4.997 1.00 0.00 H new ATOM 0 HH12 ARG A1207 3.006 2.773 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.534 -0.300 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.035 0.780 -7.158 1.00 0.00 H new ATOM 374 N CYS A1208 6.173 2.190 0.251 1.00 0.00 N ATOM 375 CA CYS A1208 7.621 2.020 0.449 1.00 0.00 C ATOM 376 C CYS A1208 8.092 2.769 1.699 1.00 0.00 C ATOM 377 O CYS A1208 8.581 3.899 1.620 1.00 0.00 O ATOM 378 CB CYS A1208 8.434 2.471 -0.779 1.00 0.00 C ATOM 379 SG CYS A1208 7.590 2.272 -2.387 1.00 0.00 S ATOM 0 H CYS A1208 5.654 1.312 0.250 1.00 0.00 H new ATOM 0 HA CYS A1208 7.798 0.953 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.699 3.521 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.367 1.907 -0.804 1.00 0.00 H new ATOM 384 N ASP A1209 7.947 2.132 2.854 1.00 0.00 N ATOM 385 CA ASP A1209 8.274 2.774 4.124 1.00 0.00 C ATOM 386 C ASP A1209 9.034 1.834 5.064 1.00 0.00 C ATOM 387 O ASP A1209 9.757 2.291 5.947 1.00 0.00 O ATOM 388 CB ASP A1209 6.997 3.297 4.805 1.00 0.00 C ATOM 389 CG ASP A1209 6.304 2.253 5.658 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.686 1.335 5.085 1.00 0.00 O ATOM 391 OD2 ASP A1209 6.381 2.341 6.897 1.00 0.00 O ATOM 0 H ASP A1209 7.606 1.174 2.939 1.00 0.00 H new ATOM 0 HA ASP A1209 8.931 3.615 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.250 4.155 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.305 3.651 4.041 1.00 0.00 H new ATOM 396 N GLY A1210 8.886 0.530 4.866 1.00 0.00 N ATOM 397 CA GLY A1210 9.543 -0.434 5.728 1.00 0.00 C ATOM 398 C GLY A1210 8.585 -1.473 6.273 1.00 0.00 C ATOM 399 O GLY A1210 8.907 -2.662 6.314 1.00 0.00 O ATOM 0 H GLY A1210 8.321 0.122 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.336 -0.933 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A1210 10.017 0.090 6.558 1.00 0.00 H new ATOM 403 N VAL A1211 7.406 -1.029 6.686 1.00 0.00 N ATOM 404 CA VAL A1211 6.400 -1.917 7.266 1.00 0.00 C ATOM 405 C VAL A1211 5.417 -2.371 6.185 1.00 0.00 C ATOM 406 O VAL A1211 5.492 -1.907 5.053 1.00 0.00 O ATOM 407 CB VAL A1211 5.624 -1.219 8.416 1.00 0.00 C ATOM 408 CG1 VAL A1211 5.168 -2.224 9.461 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.471 -0.136 9.075 1.00 0.00 C ATOM 0 H VAL A1211 7.118 -0.052 6.631 1.00 0.00 H new ATOM 0 HA VAL A1211 6.917 -2.783 7.679 1.00 0.00 H new ATOM 0 HB VAL A1211 4.744 -0.752 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.628 -1.705 10.253 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.512 -2.960 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A1211 6.037 -2.728 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A1211 5.901 0.335 9.876 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.376 -0.582 9.487 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.743 0.615 8.333 1.00 0.00 H new ATOM 419 N TYR A1212 4.523 -3.294 6.521 1.00 0.00 N ATOM 420 CA TYR A1212 3.480 -3.724 5.609 1.00 0.00 C ATOM 421 C TYR A1212 2.121 -3.283 6.139 1.00 0.00 C ATOM 422 O TYR A1212 1.795 -3.529 7.301 1.00 0.00 O ATOM 423 CB TYR A1212 3.528 -5.240 5.450 1.00 0.00 C ATOM 424 CG TYR A1212 4.800 -5.738 4.804 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.208 -5.272 3.558 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.601 -6.667 5.449 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.375 -5.724 2.978 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.771 -7.122 4.874 1.00 0.00 C ATOM 429 CZ TYR A1212 7.153 -6.648 3.640 1.00 0.00 C ATOM 430 OH TYR A1212 8.317 -7.100 3.064 1.00 0.00 O ATOM 0 H TYR A1212 4.504 -3.760 7.428 1.00 0.00 H new ATOM 0 HA TYR A1212 3.638 -3.267 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.422 -5.704 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.676 -5.562 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.602 -4.546 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.305 -7.041 6.418 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.677 -5.355 2.009 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.383 -7.846 5.390 1.00 0.00 H new ATOM 0 HH TYR A1212 8.748 -7.747 3.661 1.00 0.00 H new ATOM 440 N ASP A1213 1.334 -2.627 5.292 1.00 0.00 N ATOM 441 CA ASP A1213 0.085 -2.009 5.733 1.00 0.00 C ATOM 442 C ASP A1213 -1.124 -2.598 5.014 1.00 0.00 C ATOM 443 O ASP A1213 -2.255 -2.443 5.469 1.00 0.00 O ATOM 444 CB ASP A1213 0.105 -0.484 5.521 1.00 0.00 C ATOM 445 CG ASP A1213 1.476 0.075 5.183 1.00 0.00 C ATOM 446 OD1 ASP A1213 2.357 0.103 6.064 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.688 0.479 4.022 1.00 0.00 O ATOM 0 H ASP A1213 1.537 -2.509 4.299 1.00 0.00 H new ATOM 0 HA ASP A1213 -0.002 -2.221 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A1213 -0.587 -0.230 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.262 0.003 6.425 1.00 0.00 H new ATOM 452 N CYS A1214 -0.889 -3.267 3.893 1.00 0.00 N ATOM 453 CA CYS A1214 -1.968 -3.876 3.121 1.00 0.00 C ATOM 454 C CYS A1214 -2.356 -5.232 3.709 1.00 0.00 C ATOM 455 O CYS A1214 -1.816 -5.651 4.735 1.00 0.00 O ATOM 456 CB CYS A1214 -1.540 -4.045 1.657 1.00 0.00 C ATOM 457 SG CYS A1214 -2.477 -3.015 0.480 1.00 0.00 S ATOM 0 H CYS A1214 0.041 -3.403 3.496 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.835 -3.217 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.481 -3.804 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.653 -5.092 1.376 1.00 0.00 H new ATOM 462 N ARG A1215 -3.301 -5.913 3.056 1.00 0.00 N ATOM 463 CA ARG A1215 -3.689 -7.269 3.451 1.00 0.00 C ATOM 464 C ARG A1215 -2.511 -8.229 3.301 1.00 0.00 C ATOM 465 O ARG A1215 -2.331 -9.148 4.100 1.00 0.00 O ATOM 466 CB ARG A1215 -4.875 -7.772 2.627 1.00 0.00 C ATOM 467 CG ARG A1215 -4.928 -7.229 1.211 1.00 0.00 C ATOM 468 CD ARG A1215 -5.089 -8.343 0.191 1.00 0.00 C ATOM 469 NE ARG A1215 -6.490 -8.632 -0.109 1.00 0.00 N ATOM 470 CZ ARG A1215 -7.039 -9.847 -0.022 1.00 0.00 C ATOM 471 NH1 ARG A1215 -6.337 -10.876 0.439 1.00 0.00 N ATOM 472 NH2 ARG A1215 -8.299 -10.036 -0.393 1.00 0.00 N ATOM 0 H ARG A1215 -3.811 -5.548 2.252 1.00 0.00 H new ATOM 0 HA ARG A1215 -3.990 -7.232 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.837 -8.861 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -5.798 -7.505 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.758 -6.529 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -4.016 -6.671 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -4.574 -8.066 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -4.608 -9.246 0.566 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.086 -7.858 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -5.369 -10.743 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -6.766 -11.799 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -8.850 -9.253 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -8.717 -10.964 -0.326 1.00 0.00 H new ATOM 486 N ASP A1216 -1.718 -8.004 2.264 1.00 0.00 N ATOM 487 CA ASP A1216 -0.496 -8.759 2.046 1.00 0.00 C ATOM 488 C ASP A1216 0.720 -7.837 2.151 1.00 0.00 C ATOM 489 O ASP A1216 1.183 -7.531 3.249 1.00 0.00 O ATOM 490 CB ASP A1216 -0.514 -9.483 0.689 1.00 0.00 C ATOM 491 CG ASP A1216 -1.300 -8.761 -0.400 1.00 0.00 C ATOM 492 OD1 ASP A1216 -1.131 -7.532 -0.561 1.00 0.00 O ATOM 493 OD2 ASP A1216 -2.081 -9.432 -1.107 1.00 0.00 O ATOM 0 H ASP A1216 -1.903 -7.296 1.554 1.00 0.00 H new ATOM 0 HA ASP A1216 -0.428 -9.521 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A1216 0.513 -9.619 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -0.938 -10.478 0.827 1.00 0.00 H new ATOM 498 N ASN A1217 1.203 -7.367 1.011 1.00 0.00 N ATOM 499 CA ASN A1217 2.396 -6.536 0.950 1.00 0.00 C ATOM 500 C ASN A1217 2.385 -5.696 -0.320 1.00 0.00 C ATOM 501 O ASN A1217 3.438 -5.328 -0.843 1.00 0.00 O ATOM 502 CB ASN A1217 3.673 -7.396 1.004 1.00 0.00 C ATOM 503 CG ASN A1217 3.622 -8.613 0.094 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.728 -8.502 -1.128 1.00 0.00 O ATOM 505 ND2 ASN A1217 3.474 -9.787 0.687 1.00 0.00 N ATOM 0 H ASN A1217 0.779 -7.551 0.102 1.00 0.00 H new ATOM 0 HA ASN A1217 2.394 -5.875 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A1217 4.529 -6.780 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.837 -7.726 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A1217 3.445 -10.640 0.129 1.00 0.00 H new ATOM 0 HD22 ASN A1217 3.389 -9.839 1.702 1.00 0.00 H new ATOM 512 N SER A1218 1.181 -5.383 -0.805 1.00 0.00 N ATOM 513 CA SER A1218 1.015 -4.591 -2.022 1.00 0.00 C ATOM 514 C SER A1218 1.555 -3.173 -1.839 1.00 0.00 C ATOM 515 O SER A1218 1.976 -2.531 -2.800 1.00 0.00 O ATOM 516 CB SER A1218 -0.460 -4.538 -2.420 1.00 0.00 C ATOM 517 OG SER A1218 -0.952 -5.823 -2.765 1.00 0.00 O ATOM 0 H SER A1218 0.304 -5.669 -0.370 1.00 0.00 H new ATOM 0 HA SER A1218 1.586 -5.073 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A1218 -1.046 -4.132 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A1218 -0.586 -3.860 -3.264 1.00 0.00 H new ATOM 0 HG SER A1218 -0.995 -6.383 -1.962 1.00 0.00 H new ATOM 523 N ASP A1219 1.561 -2.706 -0.591 1.00 0.00 N ATOM 524 CA ASP A1219 2.079 -1.381 -0.243 1.00 0.00 C ATOM 525 C ASP A1219 3.574 -1.275 -0.513 1.00 0.00 C ATOM 526 O ASP A1219 4.107 -0.176 -0.683 1.00 0.00 O ATOM 527 CB ASP A1219 1.826 -1.089 1.233 1.00 0.00 C ATOM 528 CG ASP A1219 2.233 -2.250 2.130 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.404 -3.168 2.325 1.00 0.00 O ATOM 530 OD2 ASP A1219 3.369 -2.276 2.617 1.00 0.00 O ATOM 0 H ASP A1219 1.208 -3.234 0.207 1.00 0.00 H new ATOM 0 HA ASP A1219 1.557 -0.655 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.379 -0.196 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.768 -0.871 1.382 1.00 0.00 H new ATOM 535 N GLU A1220 4.242 -2.416 -0.532 1.00 0.00 N ATOM 536 CA GLU A1220 5.668 -2.464 -0.780 1.00 0.00 C ATOM 537 C GLU A1220 5.962 -3.211 -2.076 1.00 0.00 C ATOM 538 O GLU A1220 7.109 -3.553 -2.366 1.00 0.00 O ATOM 539 CB GLU A1220 6.382 -3.117 0.404 1.00 0.00 C ATOM 540 CG GLU A1220 7.594 -2.336 0.885 1.00 0.00 C ATOM 541 CD GLU A1220 7.233 -1.160 1.778 1.00 0.00 C ATOM 542 OE1 GLU A1220 6.123 -0.605 1.647 1.00 0.00 O ATOM 543 OE2 GLU A1220 8.070 -0.768 2.606 1.00 0.00 O ATOM 0 H GLU A1220 3.812 -3.328 -0.377 1.00 0.00 H new ATOM 0 HA GLU A1220 6.042 -1.446 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.678 -3.224 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A1220 6.696 -4.122 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A1220 8.258 -3.007 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.149 -1.971 0.021 1.00 0.00 H new ATOM 550 N ALA A1221 4.915 -3.447 -2.857 1.00 0.00 N ATOM 551 CA ALA A1221 5.050 -4.109 -4.142 1.00 0.00 C ATOM 552 C ALA A1221 5.454 -3.103 -5.206 1.00 0.00 C ATOM 553 O ALA A1221 4.813 -2.060 -5.360 1.00 0.00 O ATOM 554 CB ALA A1221 3.752 -4.793 -4.528 1.00 0.00 C ATOM 0 H ALA A1221 3.958 -3.187 -2.618 1.00 0.00 H new ATOM 0 HA ALA A1221 5.827 -4.869 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A1221 3.873 -5.284 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A1221 3.494 -5.536 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A1221 2.956 -4.052 -4.595 1.00 0.00 H new ATOM 560 N GLY A1222 6.537 -3.402 -5.915 1.00 0.00 N ATOM 561 CA GLY A1222 7.040 -2.493 -6.928 1.00 0.00 C ATOM 562 C GLY A1222 7.814 -1.342 -6.320 1.00 0.00 C ATOM 563 O GLY A1222 8.080 -0.341 -6.982 1.00 0.00 O ATOM 0 H GLY A1222 7.077 -4.260 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A1222 7.683 -3.039 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A1222 6.206 -2.102 -7.511 1.00 0.00 H new ATOM 567 N CYS A1223 8.174 -1.495 -5.053 1.00 0.00 N ATOM 568 CA CYS A1223 8.882 -0.484 -4.317 1.00 0.00 C ATOM 569 C CYS A1223 10.388 -0.671 -4.475 1.00 0.00 C ATOM 570 O CYS A1223 10.854 -1.797 -4.664 1.00 0.00 O ATOM 571 CB CYS A1223 8.486 -0.597 -2.853 1.00 0.00 C ATOM 572 SG CYS A1223 6.987 0.336 -2.408 1.00 0.00 S ATOM 0 H CYS A1223 7.976 -2.336 -4.512 1.00 0.00 H new ATOM 0 HA CYS A1223 8.625 0.504 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A1223 8.331 -1.648 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS A1223 9.314 -0.247 -2.237 1.00 0.00 H new ATOM 577 N PRO A1224 11.167 0.428 -4.415 1.00 0.00 N ATOM 578 CA PRO A1224 12.633 0.371 -4.498 1.00 0.00 C ATOM 579 C PRO A1224 13.243 -0.422 -3.339 1.00 0.00 C ATOM 580 O PRO A1224 13.347 0.070 -2.210 1.00 0.00 O ATOM 581 CB PRO A1224 13.059 1.844 -4.441 1.00 0.00 C ATOM 582 CG PRO A1224 11.901 2.560 -3.836 1.00 0.00 C ATOM 583 CD PRO A1224 10.680 1.813 -4.275 1.00 0.00 C ATOM 0 HA PRO A1224 12.974 -0.138 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A1224 13.959 1.971 -3.839 1.00 0.00 H new ATOM 0 HB3 PRO A1224 13.284 2.228 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A1224 11.978 2.578 -2.749 1.00 0.00 H new ATOM 0 HG3 PRO A1224 11.865 3.597 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A1224 9.877 1.886 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A1224 10.288 2.199 -5.216 1.00 0.00 H new ATOM 591 N THR A1225 13.627 -1.657 -3.628 1.00 0.00 N ATOM 592 CA THR A1225 14.189 -2.542 -2.628 1.00 0.00 C ATOM 593 C THR A1225 15.650 -2.847 -2.936 1.00 0.00 C ATOM 594 O THR A1225 15.997 -3.233 -4.055 1.00 0.00 O ATOM 595 CB THR A1225 13.395 -3.861 -2.545 1.00 0.00 C ATOM 596 OG1 THR A1225 12.523 -3.988 -3.681 1.00 0.00 O ATOM 597 CG2 THR A1225 12.571 -3.907 -1.268 1.00 0.00 C ATOM 0 H THR A1225 13.557 -2.069 -4.559 1.00 0.00 H new ATOM 0 HA THR A1225 14.125 -2.032 -1.667 1.00 0.00 H new ATOM 0 HB THR A1225 14.106 -4.688 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A1225 12.025 -4.830 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A1225 12.017 -4.845 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A1225 13.233 -3.838 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A1225 11.871 -3.071 -1.256 1.00 0.00 H new ATOM 605 N ARG A1226 16.502 -2.651 -1.947 1.00 0.00 N ATOM 606 CA ARG A1226 17.929 -2.898 -2.094 1.00 0.00 C ATOM 607 C ARG A1226 18.364 -4.010 -1.148 1.00 0.00 C ATOM 608 O ARG A1226 17.856 -4.107 -0.029 1.00 0.00 O ATOM 609 CB ARG A1226 18.745 -1.622 -1.811 1.00 0.00 C ATOM 610 CG ARG A1226 17.948 -0.494 -1.172 1.00 0.00 C ATOM 611 CD ARG A1226 18.519 -0.093 0.178 1.00 0.00 C ATOM 612 NE ARG A1226 17.519 0.563 1.021 1.00 0.00 N ATOM 613 CZ ARG A1226 17.521 0.531 2.355 1.00 0.00 C ATOM 614 NH1 ARG A1226 18.468 -0.130 3.010 1.00 0.00 N ATOM 615 NH2 ARG A1226 16.572 1.159 3.037 1.00 0.00 N ATOM 0 H ARG A1226 16.229 -2.318 -1.022 1.00 0.00 H new ATOM 0 HA ARG A1226 18.117 -3.203 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A1226 19.579 -1.877 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A1226 19.172 -1.263 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A1226 17.945 0.370 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A1226 16.911 -0.806 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A1226 18.900 -0.978 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A1226 19.365 0.578 0.029 1.00 0.00 H new ATOM 0 HE ARG A1226 16.771 1.079 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A1226 19.200 -0.617 2.493 1.00 0.00 H new ATOM 0 HH12 ARG A1226 18.463 -0.150 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A1226 15.839 1.667 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A1226 16.575 1.134 4.057 1.00 0.00 H new ATOM 629 N PRO A1227 19.288 -4.880 -1.589 1.00 0.00 N ATOM 630 CA PRO A1227 19.825 -5.954 -0.749 1.00 0.00 C ATOM 631 C PRO A1227 20.658 -5.414 0.414 1.00 0.00 C ATOM 632 O PRO A1227 21.439 -4.474 0.244 1.00 0.00 O ATOM 633 CB PRO A1227 20.708 -6.761 -1.706 1.00 0.00 C ATOM 634 CG PRO A1227 21.050 -5.817 -2.804 1.00 0.00 C ATOM 635 CD PRO A1227 19.873 -4.895 -2.944 1.00 0.00 C ATOM 0 HA PRO A1227 19.031 -6.542 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A1227 21.605 -7.124 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A1227 20.180 -7.635 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A1227 21.956 -5.259 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A1227 21.238 -6.353 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A1227 20.179 -3.898 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A1227 19.162 -5.261 -3.685 1.00 0.00 H new ATOM 643 N PRO A1228 20.492 -5.988 1.617 1.00 0.00 N ATOM 644 CA PRO A1228 21.271 -5.616 2.798 1.00 0.00 C ATOM 645 C PRO A1228 22.631 -6.316 2.826 1.00 0.00 C ATOM 646 O PRO A1228 23.004 -6.957 3.811 1.00 0.00 O ATOM 647 CB PRO A1228 20.391 -6.082 3.975 1.00 0.00 C ATOM 648 CG PRO A1228 19.172 -6.708 3.367 1.00 0.00 C ATOM 649 CD PRO A1228 19.519 -7.031 1.943 1.00 0.00 C ATOM 0 HA PRO A1228 21.496 -4.550 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A1228 20.925 -6.798 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A1228 20.119 -5.242 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A1228 18.888 -7.609 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A1228 18.323 -6.026 3.414 1.00 0.00 H new ATOM 0 HD2 PRO A1228 19.944 -8.030 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A1228 18.646 -6.991 1.292 1.00 0.00 H new ATOM 657 N GLY A1229 23.366 -6.187 1.732 1.00 0.00 N ATOM 658 CA GLY A1229 24.650 -6.834 1.610 1.00 0.00 C ATOM 659 C GLY A1229 25.655 -5.936 0.936 1.00 0.00 C ATOM 660 O GLY A1229 25.284 -4.802 0.558 1.00 0.00 O ATOM 661 OXT GLY A1229 26.822 -6.344 0.795 1.00 0.00 O ATOM 0 H GLY A1229 23.089 -5.638 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A1229 25.014 -7.113 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A1229 24.542 -7.756 1.038 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.206 -0.039 3.382 1.00 0.00 CA