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= -1.06 K(o=0.031,f=-4.3!) USER MOD Set 1.2: A1204 SER OG : rot -127:sc= 1.09 USER MOD Set 2.1: A1189 THR OG1 : rot 180:sc= 0.223 USER MOD Set 2.2: A1190 SER OG : rot 180:sc= 0.141 USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= -0.0768 K(o=-0.077,f=-1.9!) USER MOD Single : A1192 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.3!) USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot -82:sc= 1.39 USER MOD Single : A1200 SER OG : rot -170: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 K(o=0,f=0.69) USER MOD Single : A1218 SER OG : rot 89:sc= -1.87! USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.0939 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -24.458 -1.982 4.950 1.00 0.00 N ATOM 2 CA GLY A1182 -23.857 -0.688 5.160 1.00 0.00 C ATOM 3 C GLY A1182 -22.452 -0.635 4.613 1.00 0.00 C ATOM 4 O GLY A1182 -21.491 -0.946 5.319 1.00 0.00 O ATOM 0 HA2 GLY A1182 -24.465 0.079 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -23.842 -0.461 6.226 1.00 0.00 H new ATOM 10 N ALA A1183 -22.332 -0.254 3.351 1.00 0.00 N ATOM 11 CA ALA A1183 -21.040 -0.191 2.692 1.00 0.00 C ATOM 12 C ALA A1183 -20.398 1.172 2.906 1.00 0.00 C ATOM 13 O ALA A1183 -20.510 2.068 2.068 1.00 0.00 O ATOM 14 CB ALA A1183 -21.185 -0.493 1.208 1.00 0.00 C ATOM 0 H ALA A1183 -23.119 0.017 2.761 1.00 0.00 H new ATOM 0 HA ALA A1183 -20.389 -0.946 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -20.207 -0.442 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -21.600 -1.493 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -21.852 0.238 0.751 1.00 0.00 H new ATOM 20 N MET A1184 -19.745 1.326 4.046 1.00 0.00 N ATOM 21 CA MET A1184 -19.044 2.560 4.365 1.00 0.00 C ATOM 22 C MET A1184 -17.702 2.596 3.645 1.00 0.00 C ATOM 23 O MET A1184 -16.956 1.614 3.658 1.00 0.00 O ATOM 24 CB MET A1184 -18.844 2.685 5.877 1.00 0.00 C ATOM 25 CG MET A1184 -18.386 4.062 6.328 1.00 0.00 C ATOM 26 SD MET A1184 -19.276 4.648 7.780 1.00 0.00 S ATOM 27 CE MET A1184 -17.971 4.616 9.008 1.00 0.00 C ATOM 0 H MET A1184 -19.685 0.609 4.769 1.00 0.00 H new ATOM 0 HA MET A1184 -19.646 3.404 4.029 1.00 0.00 H new ATOM 0 HB2 MET A1184 -19.781 2.443 6.378 1.00 0.00 H new ATOM 0 HB3 MET A1184 -18.110 1.946 6.198 1.00 0.00 H new ATOM 0 HG2 MET A1184 -17.319 4.032 6.548 1.00 0.00 H new ATOM 0 HG3 MET A1184 -18.523 4.772 5.512 1.00 0.00 H new ATOM 0 HE1 MET A1184 -18.365 4.953 9.967 1.00 0.00 H new ATOM 0 HE2 MET A1184 -17.591 3.599 9.109 1.00 0.00 H new ATOM 0 HE3 MET A1184 -17.162 5.276 8.696 1.00 0.00 H new ATOM 37 N VAL A1185 -17.405 3.720 3.014 1.00 0.00 N ATOM 38 CA VAL A1185 -16.172 3.868 2.261 1.00 0.00 C ATOM 39 C VAL A1185 -15.006 4.196 3.190 1.00 0.00 C ATOM 40 O VAL A1185 -15.201 4.611 4.338 1.00 0.00 O ATOM 41 CB VAL A1185 -16.318 4.934 1.140 1.00 0.00 C ATOM 42 CG1 VAL A1185 -16.026 6.350 1.636 1.00 0.00 C ATOM 43 CG2 VAL A1185 -15.438 4.587 -0.054 1.00 0.00 C ATOM 0 H VAL A1185 -18.004 4.546 3.009 1.00 0.00 H new ATOM 0 HA VAL A1185 -15.958 2.915 1.777 1.00 0.00 H new ATOM 0 HB VAL A1185 -17.361 4.919 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -16.143 7.055 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -16.722 6.606 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -15.005 6.400 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -15.556 5.347 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -14.395 4.549 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -15.732 3.616 -0.452 1.00 0.00 H new ATOM 53 N LEU A1186 -13.807 3.978 2.689 1.00 0.00 N ATOM 54 CA LEU A1186 -12.590 4.217 3.453 1.00 0.00 C ATOM 55 C LEU A1186 -12.089 5.647 3.241 1.00 0.00 C ATOM 56 O LEU A1186 -12.719 6.440 2.537 1.00 0.00 O ATOM 57 CB LEU A1186 -11.509 3.210 3.047 1.00 0.00 C ATOM 58 CG LEU A1186 -11.684 1.798 3.614 1.00 0.00 C ATOM 59 CD1 LEU A1186 -12.410 0.910 2.618 1.00 0.00 C ATOM 60 CD2 LEU A1186 -10.335 1.196 3.973 1.00 0.00 C ATOM 0 H LEU A1186 -13.644 3.631 1.744 1.00 0.00 H new ATOM 0 HA LEU A1186 -12.815 4.088 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.485 3.147 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.540 3.594 3.365 1.00 0.00 H new ATOM 0 HG LEU A1186 -12.285 1.865 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -12.525 -0.089 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -13.393 1.330 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -11.833 0.851 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -10.479 0.193 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -9.711 1.144 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -9.846 1.819 4.722 1.00 0.00 H new ATOM 72 N ASN A1187 -10.945 5.966 3.833 1.00 0.00 N ATOM 73 CA ASN A1187 -10.358 7.304 3.737 1.00 0.00 C ATOM 74 C ASN A1187 -9.340 7.361 2.603 1.00 0.00 C ATOM 75 O ASN A1187 -8.257 7.939 2.726 1.00 0.00 O ATOM 76 CB ASN A1187 -9.671 7.664 5.041 1.00 0.00 C ATOM 77 CG ASN A1187 -9.581 9.163 5.270 1.00 0.00 C ATOM 78 OD1 ASN A1187 -10.229 9.953 4.582 1.00 0.00 O ATOM 79 ND2 ASN A1187 -8.774 9.566 6.239 1.00 0.00 N ATOM 0 H ASN A1187 -10.397 5.311 4.391 1.00 0.00 H new ATOM 0 HA ASN A1187 -11.159 8.015 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -10.213 7.207 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -8.667 7.240 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -8.673 10.561 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -8.254 8.881 6.787 1.00 0.00 H new ATOM 86 N CYS A1188 -9.688 6.739 1.509 1.00 0.00 N ATOM 87 CA CYS A1188 -8.823 6.686 0.348 1.00 0.00 C ATOM 88 C CYS A1188 -9.502 7.279 -0.874 1.00 0.00 C ATOM 89 O CYS A1188 -10.731 7.276 -0.985 1.00 0.00 O ATOM 90 CB CYS A1188 -8.426 5.244 0.057 1.00 0.00 C ATOM 91 SG CYS A1188 -9.822 4.072 0.102 1.00 0.00 S ATOM 0 H CYS A1188 -10.577 6.253 1.391 1.00 0.00 H new ATOM 0 HA CYS A1188 -7.933 7.276 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -7.957 5.198 -0.926 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -7.677 4.930 0.783 1.00 0.00 H new ATOM 96 N THR A1189 -8.691 7.792 -1.778 1.00 0.00 N ATOM 97 CA THR A1189 -9.161 8.265 -3.062 1.00 0.00 C ATOM 98 C THR A1189 -8.181 7.798 -4.148 1.00 0.00 C ATOM 99 O THR A1189 -7.347 6.926 -3.885 1.00 0.00 O ATOM 100 CB THR A1189 -9.350 9.809 -3.056 1.00 0.00 C ATOM 101 OG1 THR A1189 -10.108 10.226 -4.199 1.00 0.00 O ATOM 102 CG2 THR A1189 -8.019 10.556 -3.012 1.00 0.00 C ATOM 0 H THR A1189 -7.685 7.892 -1.641 1.00 0.00 H new ATOM 0 HA THR A1189 -10.143 7.843 -3.277 1.00 0.00 H new ATOM 0 HB THR A1189 -9.897 10.059 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A1189 -10.220 11.199 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A1189 -8.205 11.630 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.476 10.279 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A1189 -7.425 10.293 -3.887 1.00 0.00 H new ATOM 110 N SER A1190 -8.274 8.364 -5.346 1.00 0.00 N ATOM 111 CA SER A1190 -7.431 7.959 -6.470 1.00 0.00 C ATOM 112 C SER A1190 -5.961 8.341 -6.255 1.00 0.00 C ATOM 113 O SER A1190 -5.068 7.776 -6.886 1.00 0.00 O ATOM 114 CB SER A1190 -7.961 8.595 -7.755 1.00 0.00 C ATOM 115 OG SER A1190 -9.099 9.407 -7.488 1.00 0.00 O ATOM 0 H SER A1190 -8.931 9.112 -5.567 1.00 0.00 H new ATOM 0 HA SER A1190 -7.471 6.873 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A1190 -7.179 9.198 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A1190 -8.225 7.815 -8.469 1.00 0.00 H new ATOM 0 HG SER A1190 -9.420 9.805 -8.324 1.00 0.00 H new ATOM 121 N ALA A1191 -5.715 9.297 -5.359 1.00 0.00 N ATOM 122 CA ALA A1191 -4.356 9.728 -5.041 1.00 0.00 C ATOM 123 C ALA A1191 -3.702 8.798 -4.019 1.00 0.00 C ATOM 124 O ALA A1191 -2.474 8.760 -3.893 1.00 0.00 O ATOM 125 CB ALA A1191 -4.368 11.158 -4.520 1.00 0.00 C ATOM 0 H ALA A1191 -6.443 9.788 -4.840 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.767 9.686 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.350 11.469 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.783 11.819 -5.281 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.980 11.212 -3.619 1.00 0.00 H new ATOM 131 N GLN A1192 -4.527 8.040 -3.302 1.00 0.00 N ATOM 132 CA GLN A1192 -4.040 7.125 -2.277 1.00 0.00 C ATOM 133 C GLN A1192 -3.637 5.800 -2.900 1.00 0.00 C ATOM 134 O GLN A1192 -3.951 5.527 -4.061 1.00 0.00 O ATOM 135 CB GLN A1192 -5.111 6.882 -1.206 1.00 0.00 C ATOM 136 CG GLN A1192 -4.968 7.765 0.027 1.00 0.00 C ATOM 137 CD GLN A1192 -5.666 9.095 -0.115 1.00 0.00 C ATOM 138 OE1 GLN A1192 -5.455 9.824 -1.078 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.504 9.423 0.844 1.00 0.00 N ATOM 0 H GLN A1192 -5.541 8.043 -3.414 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.170 7.582 -1.806 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.094 7.048 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.071 5.837 -0.898 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -5.372 7.239 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -3.910 7.936 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -6.653 8.790 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.005 10.311 0.802 1.00 0.00 H new ATOM 148 N PHE A1193 -2.950 4.974 -2.127 1.00 0.00 N ATOM 149 CA PHE A1193 -2.527 3.670 -2.598 1.00 0.00 C ATOM 150 C PHE A1193 -3.614 2.637 -2.317 1.00 0.00 C ATOM 151 O PHE A1193 -4.082 2.506 -1.189 1.00 0.00 O ATOM 152 CB PHE A1193 -1.204 3.251 -1.938 1.00 0.00 C ATOM 153 CG PHE A1193 -0.742 1.888 -2.375 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.178 1.707 -3.625 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.899 0.788 -1.548 1.00 0.00 C ATOM 156 CE1 PHE A1193 0.219 0.456 -4.043 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.501 -0.463 -1.961 1.00 0.00 C ATOM 158 CZ PHE A1193 0.056 -0.629 -3.213 1.00 0.00 C ATOM 0 H PHE A1193 -2.674 5.187 -1.168 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.363 3.727 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.435 3.985 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.325 3.259 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.048 2.556 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.338 0.913 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.658 0.327 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.624 -1.313 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.364 -1.611 -3.541 1.00 0.00 H new ATOM 168 N LYS A1194 -4.015 1.917 -3.348 1.00 0.00 N ATOM 169 CA LYS A1194 -5.028 0.886 -3.207 1.00 0.00 C ATOM 170 C LYS A1194 -4.374 -0.484 -3.109 1.00 0.00 C ATOM 171 O LYS A1194 -3.312 -0.713 -3.689 1.00 0.00 O ATOM 172 CB LYS A1194 -5.981 0.917 -4.403 1.00 0.00 C ATOM 173 CG LYS A1194 -7.452 1.025 -4.023 1.00 0.00 C ATOM 174 CD LYS A1194 -7.835 2.444 -3.618 1.00 0.00 C ATOM 175 CE LYS A1194 -7.563 3.452 -4.728 1.00 0.00 C ATOM 176 NZ LYS A1194 -8.506 3.302 -5.870 1.00 0.00 N ATOM 0 H LYS A1194 -3.654 2.027 -4.296 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.593 1.077 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -5.719 1.761 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -5.835 0.013 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -8.068 0.710 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.665 0.343 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.892 2.472 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -7.277 2.729 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -7.641 4.462 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -6.541 3.329 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -8.282 4.008 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -8.415 2.347 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -9.481 3.445 -5.537 1.00 0.00 H new ATOM 190 N CYS A1195 -5.006 -1.386 -2.370 1.00 0.00 N ATOM 191 CA CYS A1195 -4.563 -2.770 -2.294 1.00 0.00 C ATOM 192 C CYS A1195 -4.718 -3.436 -3.663 1.00 0.00 C ATOM 193 O CYS A1195 -5.507 -2.974 -4.496 1.00 0.00 O ATOM 194 CB CYS A1195 -5.396 -3.515 -1.246 1.00 0.00 C ATOM 195 SG CYS A1195 -4.506 -3.934 0.292 1.00 0.00 S ATOM 0 H CYS A1195 -5.834 -1.181 -1.811 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.513 -2.803 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.263 -2.905 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.774 -4.435 -1.691 1.00 0.00 H new ATOM 200 N ALA A1196 -3.973 -4.513 -3.897 1.00 0.00 N ATOM 201 CA ALA A1196 -4.060 -5.240 -5.162 1.00 0.00 C ATOM 202 C ALA A1196 -5.427 -5.900 -5.319 1.00 0.00 C ATOM 203 O ALA A1196 -5.949 -6.017 -6.428 1.00 0.00 O ATOM 204 CB ALA A1196 -2.949 -6.277 -5.261 1.00 0.00 C ATOM 0 H ALA A1196 -3.305 -4.901 -3.231 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.936 -4.523 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -3.030 -6.808 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.981 -5.779 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -3.040 -6.987 -4.439 1.00 0.00 H new ATOM 210 N ASP A1197 -6.003 -6.321 -4.200 1.00 0.00 N ATOM 211 CA ASP A1197 -7.352 -6.877 -4.184 1.00 0.00 C ATOM 212 C ASP A1197 -8.392 -5.754 -4.247 1.00 0.00 C ATOM 213 O ASP A1197 -9.514 -5.951 -4.719 1.00 0.00 O ATOM 214 CB ASP A1197 -7.548 -7.722 -2.924 1.00 0.00 C ATOM 215 CG ASP A1197 -8.941 -8.303 -2.810 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.303 -9.164 -3.632 1.00 0.00 O ATOM 217 OD2 ASP A1197 -9.676 -7.907 -1.885 1.00 0.00 O ATOM 0 H ASP A1197 -5.554 -6.288 -3.285 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.485 -7.514 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -6.821 -8.534 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -7.344 -7.108 -2.047 1.00 0.00 H new ATOM 222 N GLY A1198 -7.998 -4.568 -3.793 1.00 0.00 N ATOM 223 CA GLY A1198 -8.889 -3.418 -3.811 1.00 0.00 C ATOM 224 C GLY A1198 -9.803 -3.362 -2.603 1.00 0.00 C ATOM 225 O GLY A1198 -10.828 -2.683 -2.625 1.00 0.00 O ATOM 0 H GLY A1198 -7.071 -4.381 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.295 -2.505 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.494 -3.447 -4.717 1.00 0.00 H new ATOM 229 N SER A1199 -9.434 -4.085 -1.552 1.00 0.00 N ATOM 230 CA SER A1199 -10.219 -4.124 -0.328 1.00 0.00 C ATOM 231 C SER A1199 -9.990 -2.865 0.503 1.00 0.00 C ATOM 232 O SER A1199 -10.912 -2.083 0.738 1.00 0.00 O ATOM 233 CB SER A1199 -9.838 -5.362 0.479 1.00 0.00 C ATOM 234 OG SER A1199 -8.746 -6.038 -0.130 1.00 0.00 O ATOM 0 H SER A1199 -8.589 -4.656 -1.525 1.00 0.00 H new ATOM 0 HA SER A1199 -11.276 -4.170 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A1199 -9.573 -5.073 1.496 1.00 0.00 H new ATOM 0 HB3 SER A1199 -10.694 -6.033 0.552 1.00 0.00 H new ATOM 0 HG SER A1199 -9.077 -6.604 -0.858 1.00 0.00 H new ATOM 240 N SER A1200 -8.755 -2.672 0.936 1.00 0.00 N ATOM 241 CA SER A1200 -8.400 -1.513 1.734 1.00 0.00 C ATOM 242 C SER A1200 -7.487 -0.580 0.949 1.00 0.00 C ATOM 243 O SER A1200 -6.979 -0.940 -0.118 1.00 0.00 O ATOM 244 CB SER A1200 -7.712 -1.961 3.026 1.00 0.00 C ATOM 245 OG SER A1200 -7.829 -3.362 3.204 1.00 0.00 O ATOM 0 H SER A1200 -7.979 -3.307 0.747 1.00 0.00 H new ATOM 0 HA SER A1200 -9.311 -0.970 1.985 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.659 -1.681 2.997 1.00 0.00 H new ATOM 0 HB3 SER A1200 -8.156 -1.444 3.877 1.00 0.00 H new ATOM 0 HG SER A1200 -7.525 -3.604 4.104 1.00 0.00 H new ATOM 251 N CYS A1201 -7.304 0.624 1.465 1.00 0.00 N ATOM 252 CA CYS A1201 -6.405 1.585 0.858 1.00 0.00 C ATOM 253 C CYS A1201 -5.625 2.318 1.932 1.00 0.00 C ATOM 254 O CYS A1201 -6.169 2.655 2.985 1.00 0.00 O ATOM 255 CB CYS A1201 -7.172 2.599 0.009 1.00 0.00 C ATOM 256 SG CYS A1201 -8.955 2.258 -0.161 1.00 0.00 S ATOM 0 H CYS A1201 -7.770 0.958 2.308 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.718 1.038 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.046 3.589 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.726 2.631 -0.985 1.00 0.00 H new ATOM 261 N ILE A1202 -4.356 2.561 1.665 1.00 0.00 N ATOM 262 CA ILE A1202 -3.510 3.281 2.597 1.00 0.00 C ATOM 263 C ILE A1202 -3.084 4.609 1.992 1.00 0.00 C ATOM 264 O ILE A1202 -3.264 4.841 0.794 1.00 0.00 O ATOM 265 CB ILE A1202 -2.261 2.460 2.995 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.502 1.986 1.754 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.665 1.272 3.855 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.012 2.251 1.811 1.00 0.00 C ATOM 0 H ILE A1202 -3.887 2.269 0.807 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.092 3.458 3.501 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.598 3.104 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.667 0.916 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -1.916 2.480 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.777 0.702 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.160 1.628 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.348 0.633 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.457 1.888 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.164 3.322 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.417 1.734 2.669 1.00 0.00 H new ATOM 280 N ASN A1203 -2.536 5.482 2.819 1.00 0.00 N ATOM 281 CA ASN A1203 -2.087 6.779 2.364 1.00 0.00 C ATOM 282 C ASN A1203 -0.830 6.634 1.521 1.00 0.00 C ATOM 283 O ASN A1203 -0.021 5.727 1.741 1.00 0.00 O ATOM 284 CB ASN A1203 -1.814 7.678 3.566 1.00 0.00 C ATOM 285 CG ASN A1203 -2.106 9.143 3.300 1.00 0.00 C ATOM 286 OD1 ASN A1203 -1.914 9.640 2.192 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.568 9.843 4.320 1.00 0.00 N ATOM 0 H ASN A1203 -2.392 5.311 3.814 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.866 7.231 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -2.420 7.341 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.770 7.571 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -2.779 10.834 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.713 9.393 5.224 1.00 0.00 H new ATOM 294 N SER A1204 -0.662 7.537 0.570 1.00 0.00 N ATOM 295 CA SER A1204 0.489 7.526 -0.319 1.00 0.00 C ATOM 296 C SER A1204 1.776 7.856 0.440 1.00 0.00 C ATOM 297 O SER A1204 2.876 7.578 -0.041 1.00 0.00 O ATOM 298 CB SER A1204 0.260 8.530 -1.447 1.00 0.00 C ATOM 299 OG SER A1204 -1.081 9.000 -1.433 1.00 0.00 O ATOM 0 H SER A1204 -1.318 8.298 0.392 1.00 0.00 H new ATOM 0 HA SER A1204 0.603 6.526 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A1204 0.947 9.370 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.477 8.062 -2.407 1.00 0.00 H new ATOM 0 HG SER A1204 -1.479 8.879 -2.320 1.00 0.00 H new ATOM 305 N ARG A1205 1.632 8.409 1.648 1.00 0.00 N ATOM 306 CA ARG A1205 2.781 8.766 2.472 1.00 0.00 C ATOM 307 C ARG A1205 3.381 7.526 3.135 1.00 0.00 C ATOM 308 O ARG A1205 4.476 7.574 3.690 1.00 0.00 O ATOM 309 CB ARG A1205 2.379 9.798 3.532 1.00 0.00 C ATOM 310 CG ARG A1205 1.288 9.318 4.475 1.00 0.00 C ATOM 311 CD ARG A1205 1.179 10.200 5.704 1.00 0.00 C ATOM 312 NE ARG A1205 0.661 11.532 5.386 1.00 0.00 N ATOM 313 CZ ARG A1205 0.840 12.608 6.152 1.00 0.00 C ATOM 314 NH1 ARG A1205 1.493 12.515 7.307 1.00 0.00 N ATOM 315 NH2 ARG A1205 0.353 13.780 5.763 1.00 0.00 N ATOM 0 H ARG A1205 0.729 8.618 2.073 1.00 0.00 H new ATOM 0 HA ARG A1205 3.540 9.208 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.259 10.066 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.040 10.705 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.333 9.306 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.497 8.293 4.781 1.00 0.00 H new ATOM 0 HD2 ARG A1205 0.525 9.723 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.160 10.295 6.169 1.00 0.00 H new ATOM 0 HE ARG A1205 0.129 11.644 4.523 1.00 0.00 H new ATOM 0 HH11 ARG A1205 1.862 11.615 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A1205 1.625 13.344 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A1205 -0.155 13.854 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A1205 0.487 14.607 6.345 1.00 0.00 H new ATOM 329 N TYR A1206 2.662 6.410 3.053 1.00 0.00 N ATOM 330 CA TYR A1206 3.116 5.159 3.643 1.00 0.00 C ATOM 331 C TYR A1206 3.787 4.275 2.596 1.00 0.00 C ATOM 332 O TYR A1206 4.289 3.204 2.913 1.00 0.00 O ATOM 333 CB TYR A1206 1.940 4.409 4.268 1.00 0.00 C ATOM 334 CG TYR A1206 1.521 4.944 5.615 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.193 4.573 6.772 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.451 5.819 5.730 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.808 5.059 8.005 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.062 6.310 6.959 1.00 0.00 C ATOM 339 CZ TYR A1206 0.742 5.927 8.093 1.00 0.00 C ATOM 340 OH TYR A1206 0.350 6.415 9.320 1.00 0.00 O ATOM 0 H TYR A1206 1.760 6.349 2.581 1.00 0.00 H new ATOM 0 HA TYR A1206 3.844 5.398 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A1206 1.089 4.456 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A1206 2.207 3.357 4.372 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.030 3.894 6.706 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.086 6.121 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.340 4.760 8.896 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.772 6.992 7.031 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.416 7.015 9.204 1.00 0.00 H new ATOM 350 N ARG A1207 3.784 4.724 1.346 1.00 0.00 N ATOM 351 CA ARG A1207 4.379 3.957 0.257 1.00 0.00 C ATOM 352 C ARG A1207 5.907 3.943 0.386 1.00 0.00 C ATOM 353 O ARG A1207 6.540 5.002 0.366 1.00 0.00 O ATOM 354 CB ARG A1207 3.946 4.546 -1.092 1.00 0.00 C ATOM 355 CG ARG A1207 4.535 3.834 -2.299 1.00 0.00 C ATOM 356 CD ARG A1207 3.757 2.575 -2.648 1.00 0.00 C ATOM 357 NE ARG A1207 3.783 2.303 -4.084 1.00 0.00 N ATOM 358 CZ ARG A1207 4.817 1.752 -4.727 1.00 0.00 C ATOM 359 NH1 ARG A1207 5.914 1.393 -4.066 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.749 1.544 -6.036 1.00 0.00 N ATOM 0 H ARG A1207 3.377 5.615 1.061 1.00 0.00 H new ATOM 0 HA ARG A1207 4.028 2.926 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.859 4.512 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.235 5.596 -1.127 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.536 4.509 -3.155 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.574 3.575 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A1207 4.178 1.726 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.724 2.682 -2.317 1.00 0.00 H new ATOM 0 HE ARG A1207 2.958 2.550 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A1207 5.972 1.537 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A1207 6.697 0.973 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A1207 3.908 1.805 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG A1207 5.538 1.124 -6.527 1.00 0.00 H new ATOM 374 N CYS A1208 6.470 2.733 0.525 1.00 0.00 N ATOM 375 CA CYS A1208 7.908 2.534 0.772 1.00 0.00 C ATOM 376 C CYS A1208 8.324 3.202 2.082 1.00 0.00 C ATOM 377 O CYS A1208 8.961 4.256 2.089 1.00 0.00 O ATOM 378 CB CYS A1208 8.760 3.055 -0.395 1.00 0.00 C ATOM 379 SG CYS A1208 8.427 2.253 -2.000 1.00 0.00 S ATOM 0 H CYS A1208 5.941 1.863 0.469 1.00 0.00 H new ATOM 0 HA CYS A1208 8.084 1.461 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.593 4.127 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.813 2.919 -0.148 1.00 0.00 H new ATOM 384 N ASP A1209 7.951 2.576 3.193 1.00 0.00 N ATOM 385 CA ASP A1209 8.190 3.147 4.515 1.00 0.00 C ATOM 386 C ASP A1209 8.949 2.175 5.419 1.00 0.00 C ATOM 387 O ASP A1209 9.605 2.591 6.375 1.00 0.00 O ATOM 388 CB ASP A1209 6.858 3.571 5.162 1.00 0.00 C ATOM 389 CG ASP A1209 6.204 2.478 5.989 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.634 1.541 5.395 1.00 0.00 O ATOM 391 OD2 ASP A1209 6.257 2.557 7.232 1.00 0.00 O ATOM 0 H ASP A1209 7.481 1.671 3.205 1.00 0.00 H new ATOM 0 HA ASP A1209 8.816 4.031 4.391 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.033 4.439 5.798 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.167 3.884 4.379 1.00 0.00 H new ATOM 396 N GLY A1210 8.858 0.888 5.114 1.00 0.00 N ATOM 397 CA GLY A1210 9.540 -0.115 5.902 1.00 0.00 C ATOM 398 C GLY A1210 8.597 -1.188 6.405 1.00 0.00 C ATOM 399 O GLY A1210 8.991 -2.343 6.574 1.00 0.00 O ATOM 0 H GLY A1210 8.320 0.520 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.324 -0.576 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A1210 10.029 0.363 6.751 1.00 0.00 H new ATOM 403 N VAL A1211 7.347 -0.813 6.628 1.00 0.00 N ATOM 404 CA VAL A1211 6.352 -1.734 7.163 1.00 0.00 C ATOM 405 C VAL A1211 5.423 -2.227 6.047 1.00 0.00 C ATOM 406 O VAL A1211 5.389 -1.649 4.964 1.00 0.00 O ATOM 407 CB VAL A1211 5.548 -1.056 8.314 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.253 -0.413 7.823 1.00 0.00 C ATOM 409 CG2 VAL A1211 5.263 -2.046 9.430 1.00 0.00 C ATOM 0 H VAL A1211 6.995 0.127 6.446 1.00 0.00 H new ATOM 0 HA VAL A1211 6.863 -2.602 7.578 1.00 0.00 H new ATOM 0 HB VAL A1211 6.174 -0.254 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A1211 3.732 0.044 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.485 0.351 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A1211 3.616 -1.175 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A1211 4.701 -1.550 10.222 1.00 0.00 H new ATOM 0 HG22 VAL A1211 4.679 -2.879 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.204 -2.421 9.833 1.00 0.00 H new ATOM 419 N TYR A1212 4.694 -3.307 6.296 1.00 0.00 N ATOM 420 CA TYR A1212 3.717 -3.800 5.336 1.00 0.00 C ATOM 421 C TYR A1212 2.325 -3.320 5.723 1.00 0.00 C ATOM 422 O TYR A1212 1.844 -3.595 6.824 1.00 0.00 O ATOM 423 CB TYR A1212 3.759 -5.326 5.263 1.00 0.00 C ATOM 424 CG TYR A1212 4.942 -5.862 4.489 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.137 -5.521 3.157 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.860 -6.713 5.090 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.212 -6.015 2.446 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.938 -7.210 4.384 1.00 0.00 C ATOM 429 CZ TYR A1212 7.110 -6.859 3.064 1.00 0.00 C ATOM 430 OH TYR A1212 8.186 -7.352 2.359 1.00 0.00 O ATOM 0 H TYR A1212 4.761 -3.857 7.153 1.00 0.00 H new ATOM 0 HA TYR A1212 3.963 -3.407 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.785 -5.729 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.840 -5.685 4.800 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.437 -4.859 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.729 -6.991 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.349 -5.742 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.643 -7.871 4.866 1.00 0.00 H new ATOM 0 HH TYR A1212 8.721 -7.930 2.941 1.00 0.00 H new ATOM 440 N ASP A1213 1.685 -2.592 4.821 1.00 0.00 N ATOM 441 CA ASP A1213 0.405 -1.956 5.113 1.00 0.00 C ATOM 442 C ASP A1213 -0.754 -2.759 4.550 1.00 0.00 C ATOM 443 O ASP A1213 -1.721 -3.046 5.255 1.00 0.00 O ATOM 444 CB ASP A1213 0.364 -0.543 4.529 1.00 0.00 C ATOM 445 CG ASP A1213 1.104 0.464 5.377 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.717 0.666 6.545 1.00 0.00 O ATOM 447 OD2 ASP A1213 2.080 1.052 4.872 1.00 0.00 O ATOM 0 H ASP A1213 2.031 -2.425 3.876 1.00 0.00 H new ATOM 0 HA ASP A1213 0.306 -1.909 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.796 -0.556 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.674 -0.229 4.423 1.00 0.00 H new ATOM 452 N CYS A1214 -0.647 -3.116 3.278 1.00 0.00 N ATOM 453 CA CYS A1214 -1.719 -3.801 2.581 1.00 0.00 C ATOM 454 C CYS A1214 -1.691 -5.293 2.876 1.00 0.00 C ATOM 455 O CYS A1214 -0.635 -5.864 3.137 1.00 0.00 O ATOM 456 CB CYS A1214 -1.609 -3.564 1.072 1.00 0.00 C ATOM 457 SG CYS A1214 -2.981 -2.597 0.368 1.00 0.00 S ATOM 0 H CYS A1214 0.179 -2.940 2.707 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.667 -3.397 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.671 -3.049 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.562 -4.528 0.566 1.00 0.00 H new ATOM 462 N ARG A1215 -2.865 -5.919 2.821 1.00 0.00 N ATOM 463 CA ARG A1215 -2.992 -7.360 3.035 1.00 0.00 C ATOM 464 C ARG A1215 -2.386 -8.138 1.868 1.00 0.00 C ATOM 465 O ARG A1215 -2.023 -9.306 2.003 1.00 0.00 O ATOM 466 CB ARG A1215 -4.463 -7.743 3.197 1.00 0.00 C ATOM 467 CG ARG A1215 -5.174 -6.996 4.308 1.00 0.00 C ATOM 468 CD ARG A1215 -6.340 -6.198 3.765 1.00 0.00 C ATOM 469 NE ARG A1215 -7.379 -7.055 3.195 1.00 0.00 N ATOM 470 CZ ARG A1215 -8.557 -7.297 3.776 1.00 0.00 C ATOM 471 NH1 ARG A1215 -8.848 -6.760 4.956 1.00 0.00 N ATOM 472 NH2 ARG A1215 -9.447 -8.076 3.176 1.00 0.00 N ATOM 0 H ARG A1215 -3.748 -5.447 2.629 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.450 -7.615 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.982 -7.557 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.530 -8.813 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.530 -7.703 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -4.473 -6.328 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.768 -5.594 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -5.981 -5.508 3.001 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.192 -7.497 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -8.170 -6.159 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -9.750 -6.949 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -9.232 -8.491 2.269 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -10.346 -8.260 3.621 1.00 0.00 H new ATOM 486 N ASP A1216 -2.282 -7.472 0.720 1.00 0.00 N ATOM 487 CA ASP A1216 -1.680 -8.075 -0.463 1.00 0.00 C ATOM 488 C ASP A1216 -0.191 -7.749 -0.525 1.00 0.00 C ATOM 489 O ASP A1216 0.500 -8.165 -1.457 1.00 0.00 O ATOM 490 CB ASP A1216 -2.363 -7.576 -1.742 1.00 0.00 C ATOM 491 CG ASP A1216 -3.874 -7.622 -1.679 1.00 0.00 C ATOM 492 OD1 ASP A1216 -4.438 -8.727 -1.566 1.00 0.00 O ATOM 493 OD2 ASP A1216 -4.506 -6.551 -1.755 1.00 0.00 O ATOM 0 H ASP A1216 -2.607 -6.515 0.586 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.813 -9.154 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -2.047 -6.551 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -2.024 -8.180 -2.584 1.00 0.00 H new ATOM 498 N ASN A1217 0.279 -6.975 0.466 1.00 0.00 N ATOM 499 CA ASN A1217 1.693 -6.576 0.593 1.00 0.00 C ATOM 500 C ASN A1217 2.163 -5.736 -0.599 1.00 0.00 C ATOM 501 O ASN A1217 3.363 -5.558 -0.806 1.00 0.00 O ATOM 502 CB ASN A1217 2.592 -7.813 0.755 1.00 0.00 C ATOM 503 CG ASN A1217 2.415 -8.495 2.100 1.00 0.00 C ATOM 504 OD1 ASN A1217 2.857 -7.989 3.126 1.00 0.00 O ATOM 505 ND2 ASN A1217 1.768 -9.652 2.100 1.00 0.00 N ATOM 0 H ASN A1217 -0.315 -6.605 1.208 1.00 0.00 H new ATOM 0 HA ASN A1217 1.772 -5.956 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A1217 2.370 -8.525 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.634 -7.517 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A1217 1.622 -10.155 2.975 1.00 0.00 H new ATOM 0 HD22 ASN A1217 1.416 -10.039 1.225 1.00 0.00 H new ATOM 512 N SER A1218 1.208 -5.181 -1.346 1.00 0.00 N ATOM 513 CA SER A1218 1.483 -4.500 -2.605 1.00 0.00 C ATOM 514 C SER A1218 2.173 -3.156 -2.397 1.00 0.00 C ATOM 515 O SER A1218 2.830 -2.640 -3.304 1.00 0.00 O ATOM 516 CB SER A1218 0.166 -4.300 -3.349 1.00 0.00 C ATOM 517 OG SER A1218 -0.885 -5.014 -2.716 1.00 0.00 O ATOM 0 H SER A1218 0.220 -5.193 -1.092 1.00 0.00 H new ATOM 0 HA SER A1218 2.164 -5.120 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.079 -3.239 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.271 -4.637 -4.380 1.00 0.00 H new ATOM 0 HG SER A1218 -1.300 -4.447 -2.033 1.00 0.00 H new ATOM 523 N ASP A1219 2.034 -2.604 -1.196 1.00 0.00 N ATOM 524 CA ASP A1219 2.569 -1.286 -0.879 1.00 0.00 C ATOM 525 C ASP A1219 4.089 -1.284 -0.919 1.00 0.00 C ATOM 526 O ASP A1219 4.697 -0.304 -1.349 1.00 0.00 O ATOM 527 CB ASP A1219 2.061 -0.807 0.490 1.00 0.00 C ATOM 528 CG ASP A1219 2.266 -1.831 1.598 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.593 -2.892 1.561 1.00 0.00 O ATOM 530 OD2 ASP A1219 3.069 -1.585 2.505 1.00 0.00 O ATOM 0 H ASP A1219 1.550 -3.055 -0.420 1.00 0.00 H new ATOM 0 HA ASP A1219 2.214 -0.591 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.574 0.116 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A1219 1.000 -0.571 0.414 1.00 0.00 H new ATOM 535 N GLU A1220 4.692 -2.390 -0.505 1.00 0.00 N ATOM 536 CA GLU A1220 6.140 -2.506 -0.503 1.00 0.00 C ATOM 537 C GLU A1220 6.620 -3.510 -1.548 1.00 0.00 C ATOM 538 O GLU A1220 7.819 -3.634 -1.798 1.00 0.00 O ATOM 539 CB GLU A1220 6.634 -2.887 0.891 1.00 0.00 C ATOM 540 CG GLU A1220 7.584 -1.868 1.495 1.00 0.00 C ATOM 541 CD GLU A1220 6.877 -0.651 2.066 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.884 -0.168 1.476 1.00 0.00 O ATOM 543 OE2 GLU A1220 7.301 -0.159 3.122 1.00 0.00 O ATOM 0 H GLU A1220 4.200 -3.217 -0.167 1.00 0.00 H new ATOM 0 HA GLU A1220 6.561 -1.536 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.776 -3.008 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.135 -3.853 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A1220 8.164 -2.346 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.291 -1.544 0.731 1.00 0.00 H new ATOM 550 N ALA A1221 5.676 -4.213 -2.173 1.00 0.00 N ATOM 551 CA ALA A1221 5.999 -5.124 -3.267 1.00 0.00 C ATOM 552 C ALA A1221 6.399 -4.343 -4.510 1.00 0.00 C ATOM 553 O ALA A1221 7.221 -4.796 -5.309 1.00 0.00 O ATOM 554 CB ALA A1221 4.822 -6.038 -3.583 1.00 0.00 C ATOM 0 H ALA A1221 4.684 -4.168 -1.940 1.00 0.00 H new ATOM 0 HA ALA A1221 6.839 -5.742 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.090 -6.706 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A1221 4.572 -6.627 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A1221 3.961 -5.436 -3.873 1.00 0.00 H new ATOM 560 N GLY A1222 5.817 -3.157 -4.659 1.00 0.00 N ATOM 561 CA GLY A1222 6.146 -2.296 -5.778 1.00 0.00 C ATOM 562 C GLY A1222 7.190 -1.256 -5.418 1.00 0.00 C ATOM 563 O GLY A1222 7.330 -0.243 -6.101 1.00 0.00 O ATOM 0 H GLY A1222 5.119 -2.776 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A1222 6.512 -2.904 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A1222 5.243 -1.795 -6.126 1.00 0.00 H new ATOM 567 N CYS A1223 7.906 -1.492 -4.328 1.00 0.00 N ATOM 568 CA CYS A1223 8.973 -0.626 -3.902 1.00 0.00 C ATOM 569 C CYS A1223 10.281 -1.077 -4.551 1.00 0.00 C ATOM 570 O CYS A1223 10.403 -2.246 -4.918 1.00 0.00 O ATOM 571 CB CYS A1223 9.067 -0.706 -2.386 1.00 0.00 C ATOM 572 SG CYS A1223 7.886 0.364 -1.498 1.00 0.00 S ATOM 0 H CYS A1223 7.755 -2.296 -3.718 1.00 0.00 H new ATOM 0 HA CYS A1223 8.782 0.405 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A1223 8.904 -1.739 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A1223 10.079 -0.439 -2.083 1.00 0.00 H new ATOM 577 N PRO A1224 11.261 -0.166 -4.727 1.00 0.00 N ATOM 578 CA PRO A1224 12.568 -0.519 -5.283 1.00 0.00 C ATOM 579 C PRO A1224 13.334 -1.483 -4.376 1.00 0.00 C ATOM 580 O PRO A1224 13.964 -1.072 -3.401 1.00 0.00 O ATOM 581 CB PRO A1224 13.319 0.812 -5.401 1.00 0.00 C ATOM 582 CG PRO A1224 12.346 1.893 -5.079 1.00 0.00 C ATOM 583 CD PRO A1224 11.160 1.266 -4.411 1.00 0.00 C ATOM 0 HA PRO A1224 12.464 -1.031 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A1224 14.166 0.839 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A1224 13.719 0.941 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO A1224 12.804 2.635 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A1224 12.041 2.414 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A1224 11.178 1.435 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A1224 10.227 1.688 -4.785 1.00 0.00 H new ATOM 591 N THR A1225 13.256 -2.766 -4.705 1.00 0.00 N ATOM 592 CA THR A1225 13.867 -3.813 -3.906 1.00 0.00 C ATOM 593 C THR A1225 15.373 -3.884 -4.136 1.00 0.00 C ATOM 594 O THR A1225 15.834 -4.010 -5.274 1.00 0.00 O ATOM 595 CB THR A1225 13.239 -5.183 -4.228 1.00 0.00 C ATOM 596 OG1 THR A1225 12.439 -5.096 -5.419 1.00 0.00 O ATOM 597 CG2 THR A1225 12.379 -5.668 -3.071 1.00 0.00 C ATOM 0 H THR A1225 12.767 -3.107 -5.533 1.00 0.00 H new ATOM 0 HA THR A1225 13.684 -3.567 -2.860 1.00 0.00 H new ATOM 0 HB THR A1225 14.047 -5.897 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A1225 12.047 -5.973 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A1225 11.946 -6.637 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A1225 12.994 -5.765 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A1225 11.580 -4.950 -2.886 1.00 0.00 H new ATOM 605 N ARG A1226 16.129 -3.791 -3.052 1.00 0.00 N ATOM 606 CA ARG A1226 17.577 -3.896 -3.111 1.00 0.00 C ATOM 607 C ARG A1226 18.029 -5.180 -2.430 1.00 0.00 C ATOM 608 O ARG A1226 17.533 -5.523 -1.355 1.00 0.00 O ATOM 609 CB ARG A1226 18.232 -2.692 -2.426 1.00 0.00 C ATOM 610 CG ARG A1226 19.609 -2.347 -2.969 1.00 0.00 C ATOM 611 CD ARG A1226 19.631 -0.967 -3.606 1.00 0.00 C ATOM 612 NE ARG A1226 19.137 -0.988 -4.980 1.00 0.00 N ATOM 613 CZ ARG A1226 18.973 0.097 -5.738 1.00 0.00 C ATOM 614 NH1 ARG A1226 19.282 1.303 -5.270 1.00 0.00 N ATOM 615 NH2 ARG A1226 18.500 -0.032 -6.969 1.00 0.00 N ATOM 0 H ARG A1226 15.758 -3.642 -2.114 1.00 0.00 H new ATOM 0 HA ARG A1226 17.882 -3.912 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A1226 17.581 -1.825 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A1226 18.314 -2.894 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A1226 20.340 -2.387 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A1226 19.907 -3.093 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A1226 19.022 -0.285 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A1226 20.649 -0.579 -3.593 1.00 0.00 H new ATOM 0 HE ARG A1226 18.902 -1.893 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A1226 19.648 1.404 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A1226 19.153 2.127 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A1226 18.264 -0.956 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A1226 18.372 0.793 -7.555 1.00 0.00 H new ATOM 629 N PRO A1227 18.942 -5.928 -3.068 1.00 0.00 N ATOM 630 CA PRO A1227 19.571 -7.101 -2.458 1.00 0.00 C ATOM 631 C PRO A1227 20.367 -6.721 -1.210 1.00 0.00 C ATOM 632 O PRO A1227 21.168 -5.781 -1.243 1.00 0.00 O ATOM 633 CB PRO A1227 20.512 -7.627 -3.548 1.00 0.00 C ATOM 634 CG PRO A1227 20.017 -7.028 -4.818 1.00 0.00 C ATOM 635 CD PRO A1227 19.414 -5.706 -4.443 1.00 0.00 C ATOM 0 HA PRO A1227 18.836 -7.838 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A1227 21.544 -7.335 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A1227 20.492 -8.716 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A1227 20.831 -6.898 -5.531 1.00 0.00 H new ATOM 0 HG3 PRO A1227 19.278 -7.674 -5.292 1.00 0.00 H new ATOM 0 HD2 PRO A1227 20.147 -4.901 -4.492 1.00 0.00 H new ATOM 0 HD3 PRO A1227 18.596 -5.433 -5.110 1.00 0.00 H new ATOM 643 N PRO A1228 20.129 -7.430 -0.088 1.00 0.00 N ATOM 644 CA PRO A1228 20.817 -7.175 1.184 1.00 0.00 C ATOM 645 C PRO A1228 22.325 -7.401 1.083 1.00 0.00 C ATOM 646 O PRO A1228 22.789 -8.533 0.929 1.00 0.00 O ATOM 647 CB PRO A1228 20.187 -8.185 2.153 1.00 0.00 C ATOM 648 CG PRO A1228 18.912 -8.602 1.510 1.00 0.00 C ATOM 649 CD PRO A1228 19.160 -8.531 0.032 1.00 0.00 C ATOM 0 HA PRO A1228 20.703 -6.139 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A1228 20.845 -9.039 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A1228 20.007 -7.734 3.129 1.00 0.00 H new ATOM 0 HG2 PRO A1228 18.633 -9.611 1.812 1.00 0.00 H new ATOM 0 HG3 PRO A1228 18.093 -7.944 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A1228 19.563 -9.467 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A1228 18.244 -8.325 -0.522 1.00 0.00 H new ATOM 657 N GLY A1229 23.074 -6.315 1.171 1.00 0.00 N ATOM 658 CA GLY A1229 24.512 -6.375 1.030 1.00 0.00 C ATOM 659 C GLY A1229 25.034 -5.152 0.318 1.00 0.00 C ATOM 660 O GLY A1229 25.129 -4.086 0.960 1.00 0.00 O ATOM 661 OXT GLY A1229 25.311 -5.237 -0.893 1.00 0.00 O ATOM 0 H GLY A1229 22.705 -5.379 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A1229 24.975 -6.453 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A1229 24.790 -7.271 0.474 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.215 0.441 3.450 1.00 0.00 CA