USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1203 ASN : amide:sc= 0.00862 K(o=1.2,f=0.22) USER MOD Set 1.2: A1204 SER OG : rot -102:sc= 1.18 USER MOD Single : A1184 MET CE :methyl -152:sc= -0.197 (180deg=-0.718) USER MOD Single : A1187 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1189 THR OG1 : rot 180:sc= 0.00614 USER MOD Single : A1190 SER OG : rot 180:sc= 0 USER MOD Single : A1192 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A1194 LYS NZ :NH3+ -158:sc= -0.0705 (180deg=-0.373) USER MOD Single : A1199 SER OG : rot -88:sc= 1.26 USER MOD Single : A1200 SER OG : rot 66:sc= 0.274 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= -0.14 X(o=-0.14,f=0.068) USER MOD Single : A1218 SER OG : rot 85:sc= 1.24 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -24.183 -5.900 -2.158 1.00 0.00 N ATOM 2 CA GLY A1182 -23.203 -4.905 -1.802 1.00 0.00 C ATOM 3 C GLY A1182 -22.290 -5.391 -0.705 1.00 0.00 C ATOM 4 O GLY A1182 -22.631 -6.321 0.027 1.00 0.00 O ATOM 0 HA2 GLY A1182 -22.611 -4.646 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -23.709 -3.995 -1.479 1.00 0.00 H new ATOM 10 N ALA A1183 -21.131 -4.766 -0.585 1.00 0.00 N ATOM 11 CA ALA A1183 -20.153 -5.156 0.415 1.00 0.00 C ATOM 12 C ALA A1183 -19.614 -3.926 1.132 1.00 0.00 C ATOM 13 O ALA A1183 -20.067 -2.807 0.881 1.00 0.00 O ATOM 14 CB ALA A1183 -19.021 -5.942 -0.228 1.00 0.00 C ATOM 0 H ALA A1183 -20.844 -3.982 -1.171 1.00 0.00 H new ATOM 0 HA ALA A1183 -20.640 -5.798 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -18.297 -6.227 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -19.423 -6.839 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -18.531 -5.325 -0.981 1.00 0.00 H new ATOM 20 N MET A1184 -18.653 -4.130 2.020 1.00 0.00 N ATOM 21 CA MET A1184 -18.035 -3.025 2.734 1.00 0.00 C ATOM 22 C MET A1184 -16.608 -2.822 2.255 1.00 0.00 C ATOM 23 O MET A1184 -15.694 -3.554 2.642 1.00 0.00 O ATOM 24 CB MET A1184 -18.060 -3.267 4.244 1.00 0.00 C ATOM 25 CG MET A1184 -18.350 -2.013 5.050 1.00 0.00 C ATOM 26 SD MET A1184 -20.081 -1.508 4.943 1.00 0.00 S ATOM 27 CE MET A1184 -19.951 -0.057 3.900 1.00 0.00 C ATOM 0 H MET A1184 -18.285 -5.050 2.263 1.00 0.00 H new ATOM 0 HA MET A1184 -18.608 -2.122 2.526 1.00 0.00 H new ATOM 0 HB2 MET A1184 -18.815 -4.019 4.472 1.00 0.00 H new ATOM 0 HB3 MET A1184 -17.099 -3.676 4.555 1.00 0.00 H new ATOM 0 HG2 MET A1184 -18.089 -2.187 6.094 1.00 0.00 H new ATOM 0 HG3 MET A1184 -17.715 -1.201 4.694 1.00 0.00 H new ATOM 0 HE1 MET A1184 -20.767 0.629 4.128 1.00 0.00 H new ATOM 0 HE2 MET A1184 -18.998 0.439 4.084 1.00 0.00 H new ATOM 0 HE3 MET A1184 -20.009 -0.355 2.853 1.00 0.00 H new ATOM 37 N VAL A1185 -16.430 -1.841 1.388 1.00 0.00 N ATOM 38 CA VAL A1185 -15.114 -1.508 0.867 1.00 0.00 C ATOM 39 C VAL A1185 -14.635 -0.200 1.475 1.00 0.00 C ATOM 40 O VAL A1185 -15.436 0.711 1.706 1.00 0.00 O ATOM 41 CB VAL A1185 -15.106 -1.378 -0.678 1.00 0.00 C ATOM 42 CG1 VAL A1185 -13.730 -1.710 -1.240 1.00 0.00 C ATOM 43 CG2 VAL A1185 -16.166 -2.267 -1.317 1.00 0.00 C ATOM 0 H VAL A1185 -17.185 -1.257 1.027 1.00 0.00 H new ATOM 0 HA VAL A1185 -14.446 -2.325 1.139 1.00 0.00 H new ATOM 0 HB VAL A1185 -15.343 -0.342 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -13.747 -1.612 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -12.992 -1.023 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -13.464 -2.733 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -16.133 -2.151 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -15.973 -3.308 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -17.151 -1.979 -0.951 1.00 0.00 H new ATOM 53 N LEU A1186 -13.340 -0.115 1.744 1.00 0.00 N ATOM 54 CA LEU A1186 -12.746 1.100 2.286 1.00 0.00 C ATOM 55 C LEU A1186 -12.824 2.232 1.264 1.00 0.00 C ATOM 56 O LEU A1186 -12.587 2.019 0.074 1.00 0.00 O ATOM 57 CB LEU A1186 -11.291 0.843 2.677 1.00 0.00 C ATOM 58 CG LEU A1186 -10.944 1.159 4.129 1.00 0.00 C ATOM 59 CD1 LEU A1186 -10.624 -0.117 4.889 1.00 0.00 C ATOM 60 CD2 LEU A1186 -9.777 2.130 4.192 1.00 0.00 C ATOM 0 H LEU A1186 -12.678 -0.876 1.595 1.00 0.00 H new ATOM 0 HA LEU A1186 -13.304 1.395 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.059 -0.204 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.647 1.437 2.029 1.00 0.00 H new ATOM 0 HG LEU A1186 -11.808 1.628 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -10.379 0.127 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.489 -0.780 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -9.774 -0.615 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -9.540 2.347 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -8.908 1.686 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -10.045 3.055 3.681 1.00 0.00 H new ATOM 72 N ASN A1187 -13.175 3.423 1.727 1.00 0.00 N ATOM 73 CA ASN A1187 -13.310 4.569 0.838 1.00 0.00 C ATOM 74 C ASN A1187 -11.991 5.316 0.728 1.00 0.00 C ATOM 75 O ASN A1187 -11.364 5.651 1.739 1.00 0.00 O ATOM 76 CB ASN A1187 -14.407 5.515 1.332 1.00 0.00 C ATOM 77 CG ASN A1187 -15.347 5.938 0.217 1.00 0.00 C ATOM 78 OD1 ASN A1187 -16.302 5.234 -0.100 1.00 0.00 O ATOM 79 ND2 ASN A1187 -15.088 7.090 -0.381 1.00 0.00 N ATOM 0 H ASN A1187 -13.371 3.621 2.708 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.589 4.199 -0.148 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -14.979 5.025 2.120 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -13.949 6.400 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -15.692 7.421 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -14.285 7.647 -0.089 1.00 0.00 H new ATOM 86 N CYS A1188 -11.567 5.566 -0.500 1.00 0.00 N ATOM 87 CA CYS A1188 -10.302 6.236 -0.754 1.00 0.00 C ATOM 88 C CYS A1188 -10.451 7.258 -1.864 1.00 0.00 C ATOM 89 O CYS A1188 -11.438 7.253 -2.600 1.00 0.00 O ATOM 90 CB CYS A1188 -9.224 5.224 -1.146 1.00 0.00 C ATOM 91 SG CYS A1188 -9.857 3.548 -1.480 1.00 0.00 S ATOM 0 H CYS A1188 -12.084 5.313 -1.342 1.00 0.00 H new ATOM 0 HA CYS A1188 -10.004 6.742 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.706 5.588 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.486 5.168 -0.346 1.00 0.00 H new ATOM 96 N THR A1189 -9.466 8.126 -1.979 1.00 0.00 N ATOM 97 CA THR A1189 -9.426 9.093 -3.056 1.00 0.00 C ATOM 98 C THR A1189 -8.374 8.674 -4.087 1.00 0.00 C ATOM 99 O THR A1189 -7.620 7.723 -3.858 1.00 0.00 O ATOM 100 CB THR A1189 -9.158 10.521 -2.515 1.00 0.00 C ATOM 101 OG1 THR A1189 -9.515 11.496 -3.504 1.00 0.00 O ATOM 102 CG2 THR A1189 -7.701 10.706 -2.097 1.00 0.00 C ATOM 0 H THR A1189 -8.677 8.181 -1.334 1.00 0.00 H new ATOM 0 HA THR A1189 -10.399 9.117 -3.547 1.00 0.00 H new ATOM 0 HB THR A1189 -9.776 10.660 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A1189 -9.344 12.395 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A1189 -7.555 11.720 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.454 9.991 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A1189 -7.052 10.539 -2.957 1.00 0.00 H new ATOM 110 N SER A1190 -8.311 9.387 -5.207 1.00 0.00 N ATOM 111 CA SER A1190 -7.420 9.030 -6.309 1.00 0.00 C ATOM 112 C SER A1190 -5.982 9.514 -6.075 1.00 0.00 C ATOM 113 O SER A1190 -5.171 9.541 -7.001 1.00 0.00 O ATOM 114 CB SER A1190 -7.965 9.604 -7.612 1.00 0.00 C ATOM 115 OG SER A1190 -9.341 9.294 -7.764 1.00 0.00 O ATOM 0 H SER A1190 -8.871 10.222 -5.377 1.00 0.00 H new ATOM 0 HA SER A1190 -7.385 7.942 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A1190 -7.828 10.685 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.402 9.203 -8.455 1.00 0.00 H new ATOM 0 HG SER A1190 -9.671 9.673 -8.605 1.00 0.00 H new ATOM 121 N ALA A1191 -5.678 9.903 -4.844 1.00 0.00 N ATOM 122 CA ALA A1191 -4.318 10.254 -4.456 1.00 0.00 C ATOM 123 C ALA A1191 -3.803 9.283 -3.395 1.00 0.00 C ATOM 124 O ALA A1191 -2.713 9.454 -2.849 1.00 0.00 O ATOM 125 CB ALA A1191 -4.266 11.687 -3.948 1.00 0.00 C ATOM 0 H ALA A1191 -6.361 9.984 -4.091 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.673 10.179 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.244 11.935 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.597 12.364 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.920 11.790 -3.082 1.00 0.00 H new ATOM 131 N GLN A1192 -4.602 8.262 -3.111 1.00 0.00 N ATOM 132 CA GLN A1192 -4.250 7.260 -2.118 1.00 0.00 C ATOM 133 C GLN A1192 -3.920 5.937 -2.794 1.00 0.00 C ATOM 134 O GLN A1192 -4.441 5.635 -3.869 1.00 0.00 O ATOM 135 CB GLN A1192 -5.400 7.061 -1.130 1.00 0.00 C ATOM 136 CG GLN A1192 -5.268 7.893 0.136 1.00 0.00 C ATOM 137 CD GLN A1192 -6.345 7.572 1.150 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.505 7.364 0.796 1.00 0.00 O ATOM 139 NE2 GLN A1192 -5.964 7.533 2.416 1.00 0.00 N ATOM 0 H GLN A1192 -5.505 8.107 -3.560 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.372 7.610 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.339 7.312 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.455 6.007 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.289 7.719 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.318 8.951 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -4.990 7.712 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -6.644 7.323 3.147 1.00 0.00 H new ATOM 148 N PHE A1193 -3.062 5.153 -2.165 1.00 0.00 N ATOM 149 CA PHE A1193 -2.677 3.864 -2.706 1.00 0.00 C ATOM 150 C PHE A1193 -3.694 2.799 -2.304 1.00 0.00 C ATOM 151 O PHE A1193 -3.937 2.564 -1.119 1.00 0.00 O ATOM 152 CB PHE A1193 -1.266 3.473 -2.244 1.00 0.00 C ATOM 153 CG PHE A1193 -0.838 2.107 -2.720 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.485 1.899 -4.045 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.806 1.029 -1.846 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.110 0.646 -4.487 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.431 -0.225 -2.283 1.00 0.00 C ATOM 158 CZ PHE A1193 -0.085 -0.417 -3.603 1.00 0.00 C ATOM 0 H PHE A1193 -2.619 5.388 -1.277 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.662 3.938 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.554 4.215 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.228 3.499 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.504 2.726 -4.739 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.078 1.174 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.163 0.496 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.409 -1.055 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.206 -1.398 -3.947 1.00 0.00 H new ATOM 168 N LYS A1194 -4.304 2.185 -3.299 1.00 0.00 N ATOM 169 CA LYS A1194 -5.242 1.102 -3.072 1.00 0.00 C ATOM 170 C LYS A1194 -4.511 -0.230 -2.983 1.00 0.00 C ATOM 171 O LYS A1194 -3.543 -0.465 -3.712 1.00 0.00 O ATOM 172 CB LYS A1194 -6.272 1.051 -4.193 1.00 0.00 C ATOM 173 CG LYS A1194 -7.441 0.140 -3.880 1.00 0.00 C ATOM 174 CD LYS A1194 -8.240 0.633 -2.690 1.00 0.00 C ATOM 175 CE LYS A1194 -9.643 0.041 -2.670 1.00 0.00 C ATOM 176 NZ LYS A1194 -10.479 0.535 -3.798 1.00 0.00 N ATOM 0 H LYS A1194 -4.165 2.420 -4.282 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.753 1.286 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.644 2.058 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -5.788 0.711 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -8.092 0.073 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.073 -0.866 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -7.721 0.370 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.304 1.721 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.577 -1.046 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.127 0.290 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -11.485 0.425 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.272 1.540 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.265 -0.014 -4.655 1.00 0.00 H new ATOM 190 N CYS A1195 -4.973 -1.088 -2.077 1.00 0.00 N ATOM 191 CA CYS A1195 -4.500 -2.455 -1.990 1.00 0.00 C ATOM 192 C CYS A1195 -4.743 -3.160 -3.326 1.00 0.00 C ATOM 193 O CYS A1195 -5.750 -2.895 -3.987 1.00 0.00 O ATOM 194 CB CYS A1195 -5.271 -3.167 -0.879 1.00 0.00 C ATOM 195 SG CYS A1195 -4.405 -3.313 0.722 1.00 0.00 S ATOM 0 H CYS A1195 -5.685 -0.850 -1.386 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.433 -2.473 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.209 -2.636 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.527 -4.168 -1.225 1.00 0.00 H new ATOM 200 N ALA A1196 -3.839 -4.048 -3.719 1.00 0.00 N ATOM 201 CA ALA A1196 -3.947 -4.739 -5.005 1.00 0.00 C ATOM 202 C ALA A1196 -5.138 -5.692 -5.030 1.00 0.00 C ATOM 203 O ALA A1196 -5.676 -5.996 -6.093 1.00 0.00 O ATOM 204 CB ALA A1196 -2.669 -5.496 -5.311 1.00 0.00 C ATOM 0 H ALA A1196 -3.021 -4.309 -3.168 1.00 0.00 H new ATOM 0 HA ALA A1196 -4.105 -3.981 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.768 -6.003 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.834 -4.797 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.486 -6.232 -4.528 1.00 0.00 H new ATOM 210 N ASP A1197 -5.535 -6.164 -3.853 1.00 0.00 N ATOM 211 CA ASP A1197 -6.711 -7.016 -3.711 1.00 0.00 C ATOM 212 C ASP A1197 -7.998 -6.190 -3.844 1.00 0.00 C ATOM 213 O ASP A1197 -9.062 -6.716 -4.172 1.00 0.00 O ATOM 214 CB ASP A1197 -6.661 -7.729 -2.354 1.00 0.00 C ATOM 215 CG ASP A1197 -7.921 -8.505 -2.033 1.00 0.00 C ATOM 216 OD1 ASP A1197 -8.127 -9.589 -2.614 1.00 0.00 O ATOM 217 OD2 ASP A1197 -8.704 -8.041 -1.183 1.00 0.00 O ATOM 0 H ASP A1197 -5.054 -5.968 -2.975 1.00 0.00 H new ATOM 0 HA ASP A1197 -6.711 -7.762 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.811 -8.411 -2.342 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -6.489 -6.991 -1.571 1.00 0.00 H new ATOM 222 N GLY A1198 -7.881 -4.887 -3.606 1.00 0.00 N ATOM 223 CA GLY A1198 -9.027 -4.002 -3.698 1.00 0.00 C ATOM 224 C GLY A1198 -9.859 -4.005 -2.433 1.00 0.00 C ATOM 225 O GLY A1198 -11.086 -3.966 -2.488 1.00 0.00 O ATOM 0 H GLY A1198 -7.007 -4.427 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.684 -2.988 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.650 -4.304 -4.540 1.00 0.00 H new ATOM 229 N SER A1199 -9.189 -4.071 -1.292 1.00 0.00 N ATOM 230 CA SER A1199 -9.865 -4.087 -0.004 1.00 0.00 C ATOM 231 C SER A1199 -9.691 -2.750 0.713 1.00 0.00 C ATOM 232 O SER A1199 -10.581 -1.899 0.684 1.00 0.00 O ATOM 233 CB SER A1199 -9.311 -5.230 0.851 1.00 0.00 C ATOM 234 OG SER A1199 -8.135 -5.768 0.264 1.00 0.00 O ATOM 0 H SER A1199 -8.172 -4.115 -1.233 1.00 0.00 H new ATOM 0 HA SER A1199 -10.931 -4.246 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A1199 -9.090 -4.867 1.854 1.00 0.00 H new ATOM 0 HB3 SER A1199 -10.063 -6.012 0.954 1.00 0.00 H new ATOM 0 HG SER A1199 -8.379 -6.475 -0.369 1.00 0.00 H new ATOM 240 N SER A1200 -8.529 -2.562 1.325 1.00 0.00 N ATOM 241 CA SER A1200 -8.253 -1.358 2.090 1.00 0.00 C ATOM 242 C SER A1200 -7.494 -0.336 1.249 1.00 0.00 C ATOM 243 O SER A1200 -6.950 -0.661 0.191 1.00 0.00 O ATOM 244 CB SER A1200 -7.445 -1.710 3.343 1.00 0.00 C ATOM 245 OG SER A1200 -6.871 -3.007 3.239 1.00 0.00 O ATOM 0 H SER A1200 -7.761 -3.233 1.305 1.00 0.00 H new ATOM 0 HA SER A1200 -9.204 -0.915 2.386 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.657 -0.972 3.490 1.00 0.00 H new ATOM 0 HB3 SER A1200 -8.091 -1.665 4.220 1.00 0.00 H new ATOM 0 HG SER A1200 -6.202 -3.012 2.523 1.00 0.00 H new ATOM 251 N CYS A1201 -7.482 0.900 1.713 1.00 0.00 N ATOM 252 CA CYS A1201 -6.708 1.947 1.073 1.00 0.00 C ATOM 253 C CYS A1201 -5.770 2.573 2.084 1.00 0.00 C ATOM 254 O CYS A1201 -6.137 2.767 3.244 1.00 0.00 O ATOM 255 CB CYS A1201 -7.615 3.027 0.484 1.00 0.00 C ATOM 256 SG CYS A1201 -9.322 2.485 0.163 1.00 0.00 S ATOM 0 H CYS A1201 -8.003 1.204 2.536 1.00 0.00 H new ATOM 0 HA CYS A1201 -6.137 1.499 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.639 3.876 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.178 3.381 -0.450 1.00 0.00 H new ATOM 261 N ILE A1202 -4.562 2.867 1.650 1.00 0.00 N ATOM 262 CA ILE A1202 -3.583 3.524 2.495 1.00 0.00 C ATOM 263 C ILE A1202 -3.137 4.815 1.835 1.00 0.00 C ATOM 264 O ILE A1202 -3.455 5.059 0.673 1.00 0.00 O ATOM 265 CB ILE A1202 -2.357 2.627 2.774 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.818 2.028 1.477 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.722 1.523 3.756 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.398 1.537 1.590 1.00 0.00 C ATOM 0 H ILE A1202 -4.231 2.659 0.708 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.056 3.733 3.454 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.575 3.244 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -2.458 1.199 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -1.874 2.778 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.848 0.899 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.059 1.966 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.521 0.912 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A1202 -0.079 1.124 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.253 2.367 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A1202 -0.340 0.764 2.356 1.00 0.00 H new ATOM 280 N ASN A1203 -2.420 5.648 2.566 1.00 0.00 N ATOM 281 CA ASN A1203 -1.953 6.910 2.015 1.00 0.00 C ATOM 282 C ASN A1203 -0.761 6.700 1.094 1.00 0.00 C ATOM 283 O ASN A1203 -0.141 5.633 1.087 1.00 0.00 O ATOM 284 CB ASN A1203 -1.567 7.887 3.121 1.00 0.00 C ATOM 285 CG ASN A1203 -2.147 9.266 2.891 1.00 0.00 C ATOM 286 OD1 ASN A1203 -1.649 10.023 2.064 1.00 0.00 O ATOM 287 ND2 ASN A1203 -3.203 9.598 3.612 1.00 0.00 N ATOM 0 H ASN A1203 -2.149 5.478 3.535 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.778 7.331 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.914 7.504 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.481 7.956 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.635 10.514 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -3.586 8.938 4.289 1.00 0.00 H new ATOM 294 N SER A1204 -0.440 7.733 0.331 1.00 0.00 N ATOM 295 CA SER A1204 0.702 7.713 -0.571 1.00 0.00 C ATOM 296 C SER A1204 2.015 7.725 0.213 1.00 0.00 C ATOM 297 O SER A1204 3.064 7.335 -0.303 1.00 0.00 O ATOM 298 CB SER A1204 0.629 8.923 -1.500 1.00 0.00 C ATOM 299 OG SER A1204 -0.473 9.754 -1.158 1.00 0.00 O ATOM 0 H SER A1204 -0.963 8.609 0.319 1.00 0.00 H new ATOM 0 HA SER A1204 0.673 6.797 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.555 9.494 -1.435 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.532 8.589 -2.533 1.00 0.00 H new ATOM 0 HG SER A1204 -1.209 9.597 -1.786 1.00 0.00 H new ATOM 305 N ARG A1205 1.943 8.150 1.477 1.00 0.00 N ATOM 306 CA ARG A1205 3.112 8.169 2.352 1.00 0.00 C ATOM 307 C ARG A1205 3.341 6.793 2.961 1.00 0.00 C ATOM 308 O ARG A1205 4.335 6.557 3.646 1.00 0.00 O ATOM 309 CB ARG A1205 2.948 9.219 3.456 1.00 0.00 C ATOM 310 CG ARG A1205 1.734 9.002 4.347 1.00 0.00 C ATOM 311 CD ARG A1205 1.423 10.239 5.170 1.00 0.00 C ATOM 312 NE ARG A1205 0.511 11.148 4.472 1.00 0.00 N ATOM 313 CZ ARG A1205 -0.300 12.015 5.085 1.00 0.00 C ATOM 314 NH1 ARG A1205 -0.289 12.129 6.408 1.00 0.00 N ATOM 315 NH2 ARG A1205 -1.118 12.777 4.371 1.00 0.00 N ATOM 0 H ARG A1205 1.085 8.485 1.915 1.00 0.00 H new ATOM 0 HA ARG A1205 3.982 8.436 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.844 9.221 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.876 10.205 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.871 8.745 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.915 8.157 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A1205 0.980 9.940 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.350 10.763 5.401 1.00 0.00 H new ATOM 0 HE ARG A1205 0.494 11.117 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A1205 0.342 11.552 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A1205 -0.911 12.793 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A1205 -1.128 12.701 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A1205 -1.737 13.439 4.839 1.00 0.00 H new ATOM 329 N TYR A1206 2.406 5.886 2.704 1.00 0.00 N ATOM 330 CA TYR A1206 2.514 4.517 3.178 1.00 0.00 C ATOM 331 C TYR A1206 2.876 3.591 2.024 1.00 0.00 C ATOM 332 O TYR A1206 2.724 2.377 2.104 1.00 0.00 O ATOM 333 CB TYR A1206 1.211 4.082 3.846 1.00 0.00 C ATOM 334 CG TYR A1206 1.032 4.690 5.217 1.00 0.00 C ATOM 335 CD1 TYR A1206 1.802 4.260 6.289 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.115 5.707 5.435 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.662 4.826 7.540 1.00 0.00 C ATOM 338 CE2 TYR A1206 -0.035 6.276 6.684 1.00 0.00 C ATOM 339 CZ TYR A1206 0.742 5.835 7.732 1.00 0.00 C ATOM 340 OH TYR A1206 0.605 6.410 8.975 1.00 0.00 O ATOM 0 H TYR A1206 1.561 6.079 2.166 1.00 0.00 H new ATOM 0 HA TYR A1206 3.308 4.460 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.370 4.366 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.194 2.995 3.929 1.00 0.00 H new ATOM 0 HD1 TYR A1206 2.523 3.469 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.492 6.060 4.614 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.269 4.481 8.364 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.758 7.063 6.838 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.085 7.105 8.940 1.00 0.00 H new ATOM 350 N ARG A1207 3.337 4.185 0.939 1.00 0.00 N ATOM 351 CA ARG A1207 3.924 3.433 -0.154 1.00 0.00 C ATOM 352 C ARG A1207 5.442 3.526 -0.043 1.00 0.00 C ATOM 353 O ARG A1207 5.999 4.621 -0.134 1.00 0.00 O ATOM 354 CB ARG A1207 3.432 3.972 -1.510 1.00 0.00 C ATOM 355 CG ARG A1207 3.828 3.120 -2.717 1.00 0.00 C ATOM 356 CD ARG A1207 3.537 1.638 -2.497 1.00 0.00 C ATOM 357 NE ARG A1207 3.168 0.936 -3.732 1.00 0.00 N ATOM 358 CZ ARG A1207 4.038 0.513 -4.664 1.00 0.00 C ATOM 359 NH1 ARG A1207 5.333 0.787 -4.561 1.00 0.00 N ATOM 360 NH2 ARG A1207 3.602 -0.179 -5.711 1.00 0.00 N ATOM 0 H ARG A1207 3.316 5.194 0.791 1.00 0.00 H new ATOM 0 HA ARG A1207 3.619 2.388 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.345 4.054 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A1207 3.824 4.980 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A1207 3.288 3.468 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A1207 4.890 3.254 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A1207 4.416 1.161 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.729 1.536 -1.772 1.00 0.00 H new ATOM 0 HE ARG A1207 2.177 0.756 -3.895 1.00 0.00 H new ATOM 0 HH11 ARG A1207 5.679 1.325 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A1207 5.982 0.459 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A1207 2.608 -0.388 -5.806 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.261 -0.501 -6.420 1.00 0.00 H new ATOM 374 N CYS A1208 6.079 2.374 0.197 1.00 0.00 N ATOM 375 CA CYS A1208 7.539 2.268 0.347 1.00 0.00 C ATOM 376 C CYS A1208 8.031 2.954 1.622 1.00 0.00 C ATOM 377 O CYS A1208 8.358 4.143 1.626 1.00 0.00 O ATOM 378 CB CYS A1208 8.267 2.827 -0.880 1.00 0.00 C ATOM 379 SG CYS A1208 7.551 2.275 -2.459 1.00 0.00 S ATOM 0 H CYS A1208 5.594 1.482 0.294 1.00 0.00 H new ATOM 0 HA CYS A1208 7.773 1.207 0.430 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.246 3.916 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.314 2.527 -0.840 1.00 0.00 H new ATOM 384 N ASP A1209 8.080 2.188 2.705 1.00 0.00 N ATOM 385 CA ASP A1209 8.554 2.696 3.985 1.00 0.00 C ATOM 386 C ASP A1209 9.290 1.603 4.756 1.00 0.00 C ATOM 387 O ASP A1209 10.353 1.852 5.329 1.00 0.00 O ATOM 388 CB ASP A1209 7.403 3.269 4.834 1.00 0.00 C ATOM 389 CG ASP A1209 6.156 2.414 4.812 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.305 2.613 3.922 1.00 0.00 O ATOM 391 OD2 ASP A1209 6.021 1.528 5.679 1.00 0.00 O ATOM 0 H ASP A1209 7.796 1.209 2.721 1.00 0.00 H new ATOM 0 HA ASP A1209 9.248 3.510 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.741 3.378 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A1209 7.156 4.267 4.472 1.00 0.00 H new ATOM 396 N GLY A1210 8.730 0.397 4.764 1.00 0.00 N ATOM 397 CA GLY A1210 9.364 -0.717 5.449 1.00 0.00 C ATOM 398 C GLY A1210 8.368 -1.612 6.159 1.00 0.00 C ATOM 399 O GLY A1210 8.610 -2.809 6.328 1.00 0.00 O ATOM 0 H GLY A1210 7.846 0.170 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A1210 9.927 -1.309 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A1210 10.081 -0.332 6.174 1.00 0.00 H new ATOM 403 N VAL A1211 7.243 -1.038 6.565 1.00 0.00 N ATOM 404 CA VAL A1211 6.214 -1.780 7.289 1.00 0.00 C ATOM 405 C VAL A1211 5.104 -2.185 6.325 1.00 0.00 C ATOM 406 O VAL A1211 4.755 -1.421 5.438 1.00 0.00 O ATOM 407 CB VAL A1211 5.631 -0.935 8.453 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.575 -1.706 9.231 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.741 -0.481 9.386 1.00 0.00 C ATOM 0 H VAL A1211 7.017 -0.056 6.405 1.00 0.00 H new ATOM 0 HA VAL A1211 6.667 -2.674 7.718 1.00 0.00 H new ATOM 0 HB VAL A1211 5.151 -0.059 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.190 -1.082 10.038 1.00 0.00 H new ATOM 0 HG12 VAL A1211 3.759 -1.980 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A1211 5.019 -2.609 9.651 1.00 0.00 H new ATOM 0 HG21 VAL A1211 6.316 0.110 10.197 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.248 -1.353 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A1211 7.457 0.126 8.832 1.00 0.00 H new ATOM 419 N TYR A1212 4.566 -3.385 6.486 1.00 0.00 N ATOM 420 CA TYR A1212 3.552 -3.892 5.573 1.00 0.00 C ATOM 421 C TYR A1212 2.157 -3.441 5.997 1.00 0.00 C ATOM 422 O TYR A1212 1.665 -3.811 7.064 1.00 0.00 O ATOM 423 CB TYR A1212 3.634 -5.416 5.498 1.00 0.00 C ATOM 424 CG TYR A1212 4.933 -5.905 4.899 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.144 -5.866 3.527 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.952 -6.399 5.703 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.330 -6.304 2.975 1.00 0.00 C ATOM 428 CE2 TYR A1212 7.144 -6.836 5.156 1.00 0.00 C ATOM 429 CZ TYR A1212 7.325 -6.788 3.791 1.00 0.00 C ATOM 430 OH TYR A1212 8.510 -7.215 3.239 1.00 0.00 O ATOM 0 H TYR A1212 4.814 -4.026 7.240 1.00 0.00 H new ATOM 0 HA TYR A1212 3.742 -3.482 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.523 -5.831 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.801 -5.791 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.366 -5.486 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.811 -6.442 6.773 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.476 -6.267 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.929 -7.213 5.795 1.00 0.00 H new ATOM 0 HH TYR A1212 9.109 -7.526 3.950 1.00 0.00 H new ATOM 440 N ASP A1213 1.536 -2.631 5.151 1.00 0.00 N ATOM 441 CA ASP A1213 0.216 -2.065 5.422 1.00 0.00 C ATOM 442 C ASP A1213 -0.872 -2.885 4.739 1.00 0.00 C ATOM 443 O ASP A1213 -1.870 -3.255 5.357 1.00 0.00 O ATOM 444 CB ASP A1213 0.130 -0.614 4.923 1.00 0.00 C ATOM 445 CG ASP A1213 1.089 0.323 5.625 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.760 0.797 6.731 1.00 0.00 O ATOM 447 OD2 ASP A1213 2.171 0.599 5.062 1.00 0.00 O ATOM 0 H ASP A1213 1.931 -2.346 4.255 1.00 0.00 H new ATOM 0 HA ASP A1213 0.066 -2.086 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.333 -0.594 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.888 -0.250 5.062 1.00 0.00 H new ATOM 452 N CYS A1214 -0.666 -3.167 3.458 1.00 0.00 N ATOM 453 CA CYS A1214 -1.651 -3.875 2.652 1.00 0.00 C ATOM 454 C CYS A1214 -1.572 -5.372 2.908 1.00 0.00 C ATOM 455 O CYS A1214 -0.491 -5.912 3.147 1.00 0.00 O ATOM 456 CB CYS A1214 -1.425 -3.589 1.162 1.00 0.00 C ATOM 457 SG CYS A1214 -2.611 -2.411 0.433 1.00 0.00 S ATOM 0 H CYS A1214 0.183 -2.913 2.952 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.643 -3.522 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.416 -3.199 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.480 -4.528 0.612 1.00 0.00 H new ATOM 462 N ARG A1215 -2.717 -6.041 2.839 1.00 0.00 N ATOM 463 CA ARG A1215 -2.782 -7.483 3.076 1.00 0.00 C ATOM 464 C ARG A1215 -2.200 -8.260 1.902 1.00 0.00 C ATOM 465 O ARG A1215 -1.841 -9.428 2.030 1.00 0.00 O ATOM 466 CB ARG A1215 -4.218 -7.922 3.346 1.00 0.00 C ATOM 467 CG ARG A1215 -5.164 -7.670 2.196 1.00 0.00 C ATOM 468 CD ARG A1215 -6.614 -7.796 2.639 1.00 0.00 C ATOM 469 NE ARG A1215 -7.452 -8.423 1.620 1.00 0.00 N ATOM 470 CZ ARG A1215 -8.051 -9.609 1.762 1.00 0.00 C ATOM 471 NH1 ARG A1215 -7.900 -10.316 2.876 1.00 0.00 N ATOM 472 NH2 ARG A1215 -8.806 -10.088 0.784 1.00 0.00 N ATOM 0 H ARG A1215 -3.615 -5.610 2.621 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.181 -7.703 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.224 -8.986 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.587 -7.399 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -4.990 -6.673 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -4.963 -8.380 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.662 -8.382 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -7.008 -6.807 2.872 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.589 -7.922 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -7.322 -9.955 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -8.362 -11.220 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -8.929 -9.552 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -9.264 -10.993 0.890 1.00 0.00 H new ATOM 486 N ASP A1216 -2.103 -7.589 0.764 1.00 0.00 N ATOM 487 CA ASP A1216 -1.515 -8.177 -0.436 1.00 0.00 C ATOM 488 C ASP A1216 -0.032 -7.819 -0.525 1.00 0.00 C ATOM 489 O ASP A1216 0.680 -8.306 -1.405 1.00 0.00 O ATOM 490 CB ASP A1216 -2.252 -7.707 -1.691 1.00 0.00 C ATOM 491 CG ASP A1216 -2.665 -6.254 -1.615 1.00 0.00 C ATOM 492 OD1 ASP A1216 -1.781 -5.377 -1.676 1.00 0.00 O ATOM 493 OD2 ASP A1216 -3.873 -5.985 -1.496 1.00 0.00 O ATOM 0 H ASP A1216 -2.426 -6.629 0.644 1.00 0.00 H new ATOM 0 HA ASP A1216 -1.613 -9.261 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.611 -7.853 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -3.137 -8.325 -1.840 1.00 0.00 H new ATOM 498 N ASN A1217 0.400 -6.945 0.395 1.00 0.00 N ATOM 499 CA ASN A1217 1.815 -6.579 0.590 1.00 0.00 C ATOM 500 C ASN A1217 2.370 -5.738 -0.562 1.00 0.00 C ATOM 501 O ASN A1217 3.581 -5.550 -0.668 1.00 0.00 O ATOM 502 CB ASN A1217 2.691 -7.828 0.784 1.00 0.00 C ATOM 503 CG ASN A1217 2.550 -8.457 2.161 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.501 -8.493 2.937 1.00 0.00 O ATOM 505 ND2 ASN A1217 1.373 -8.983 2.462 1.00 0.00 N ATOM 0 H ASN A1217 -0.231 -6.464 1.036 1.00 0.00 H new ATOM 0 HA ASN A1217 1.848 -5.971 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A1217 2.430 -8.567 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.735 -7.560 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A1217 1.233 -9.437 3.364 1.00 0.00 H new ATOM 0 HD22 ASN A1217 0.606 -8.934 1.792 1.00 0.00 H new ATOM 512 N SER A1218 1.489 -5.193 -1.398 1.00 0.00 N ATOM 513 CA SER A1218 1.919 -4.427 -2.571 1.00 0.00 C ATOM 514 C SER A1218 2.310 -2.994 -2.205 1.00 0.00 C ATOM 515 O SER A1218 2.717 -2.214 -3.061 1.00 0.00 O ATOM 516 CB SER A1218 0.813 -4.414 -3.623 1.00 0.00 C ATOM 517 OG SER A1218 0.086 -5.629 -3.596 1.00 0.00 O ATOM 0 H SER A1218 0.478 -5.266 -1.288 1.00 0.00 H new ATOM 0 HA SER A1218 2.804 -4.917 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A1218 0.140 -3.577 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A1218 1.246 -4.265 -4.612 1.00 0.00 H new ATOM 0 HG SER A1218 -0.617 -5.574 -2.916 1.00 0.00 H new ATOM 523 N ASP A1219 2.185 -2.660 -0.926 1.00 0.00 N ATOM 524 CA ASP A1219 2.602 -1.358 -0.417 1.00 0.00 C ATOM 525 C ASP A1219 4.108 -1.319 -0.194 1.00 0.00 C ATOM 526 O ASP A1219 4.681 -0.251 0.039 1.00 0.00 O ATOM 527 CB ASP A1219 1.908 -1.060 0.907 1.00 0.00 C ATOM 528 CG ASP A1219 2.201 -2.124 1.949 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.651 -3.242 1.822 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.971 -1.865 2.877 1.00 0.00 O ATOM 0 H ASP A1219 1.794 -3.279 -0.216 1.00 0.00 H new ATOM 0 HA ASP A1219 2.326 -0.609 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.234 -0.088 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.832 -0.995 0.747 1.00 0.00 H new ATOM 535 N GLU A1220 4.727 -2.491 -0.216 1.00 0.00 N ATOM 536 CA GLU A1220 6.165 -2.608 -0.033 1.00 0.00 C ATOM 537 C GLU A1220 6.782 -3.410 -1.177 1.00 0.00 C ATOM 538 O GLU A1220 7.994 -3.378 -1.388 1.00 0.00 O ATOM 539 CB GLU A1220 6.465 -3.273 1.312 1.00 0.00 C ATOM 540 CG GLU A1220 7.607 -2.630 2.090 1.00 0.00 C ATOM 541 CD GLU A1220 7.555 -1.113 2.092 1.00 0.00 C ATOM 542 OE1 GLU A1220 6.583 -0.538 2.628 1.00 0.00 O ATOM 543 OE2 GLU A1220 8.499 -0.486 1.583 1.00 0.00 O ATOM 0 H GLU A1220 4.250 -3.381 -0.360 1.00 0.00 H new ATOM 0 HA GLU A1220 6.606 -1.611 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.564 -3.248 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A1220 6.704 -4.322 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A1220 7.583 -2.988 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.556 -2.953 1.662 1.00 0.00 H new ATOM 550 N ALA A1221 5.938 -4.134 -1.906 1.00 0.00 N ATOM 551 CA ALA A1221 6.368 -4.854 -3.096 1.00 0.00 C ATOM 552 C ALA A1221 6.263 -3.951 -4.318 1.00 0.00 C ATOM 553 O ALA A1221 5.197 -3.410 -4.613 1.00 0.00 O ATOM 554 CB ALA A1221 5.538 -6.117 -3.291 1.00 0.00 C ATOM 0 H ALA A1221 4.946 -4.237 -1.690 1.00 0.00 H new ATOM 0 HA ALA A1221 7.409 -5.150 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.876 -6.640 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A1221 5.656 -6.767 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.488 -5.848 -3.403 1.00 0.00 H new ATOM 560 N GLY A1222 7.372 -3.797 -5.028 1.00 0.00 N ATOM 561 CA GLY A1222 7.425 -2.852 -6.126 1.00 0.00 C ATOM 562 C GLY A1222 7.891 -1.501 -5.641 1.00 0.00 C ATOM 563 O GLY A1222 7.462 -0.457 -6.138 1.00 0.00 O ATOM 0 H GLY A1222 8.238 -4.311 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A1222 8.101 -3.220 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A1222 6.439 -2.761 -6.582 1.00 0.00 H new ATOM 567 N CYS A1223 8.758 -1.537 -4.642 1.00 0.00 N ATOM 568 CA CYS A1223 9.252 -0.363 -3.991 1.00 0.00 C ATOM 569 C CYS A1223 10.769 -0.284 -4.122 1.00 0.00 C ATOM 570 O CYS A1223 11.424 -1.309 -4.322 1.00 0.00 O ATOM 571 CB CYS A1223 8.855 -0.458 -2.529 1.00 0.00 C ATOM 572 SG CYS A1223 7.244 0.296 -2.145 1.00 0.00 S ATOM 0 H CYS A1223 9.137 -2.405 -4.264 1.00 0.00 H new ATOM 0 HA CYS A1223 8.833 0.534 -4.447 1.00 0.00 H new ATOM 0 HB2 CYS A1223 8.831 -1.508 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A1223 9.623 0.023 -1.923 1.00 0.00 H new ATOM 577 N PRO A1224 11.345 0.934 -4.053 1.00 0.00 N ATOM 578 CA PRO A1224 12.798 1.120 -3.979 1.00 0.00 C ATOM 579 C PRO A1224 13.417 0.314 -2.839 1.00 0.00 C ATOM 580 O PRO A1224 13.066 0.506 -1.669 1.00 0.00 O ATOM 581 CB PRO A1224 12.957 2.618 -3.719 1.00 0.00 C ATOM 582 CG PRO A1224 11.718 3.239 -4.262 1.00 0.00 C ATOM 583 CD PRO A1224 10.626 2.222 -4.088 1.00 0.00 C ATOM 0 HA PRO A1224 13.301 0.780 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A1224 13.067 2.824 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A1224 13.845 3.012 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A1224 11.480 4.160 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A1224 11.842 3.500 -5.313 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.065 2.392 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A1224 9.911 2.259 -4.910 1.00 0.00 H new ATOM 591 N THR A1225 14.312 -0.600 -3.194 1.00 0.00 N ATOM 592 CA THR A1225 14.973 -1.463 -2.226 1.00 0.00 C ATOM 593 C THR A1225 15.889 -0.652 -1.315 1.00 0.00 C ATOM 594 O THR A1225 16.701 0.146 -1.786 1.00 0.00 O ATOM 595 CB THR A1225 15.788 -2.555 -2.945 1.00 0.00 C ATOM 596 OG1 THR A1225 15.598 -2.447 -4.365 1.00 0.00 O ATOM 597 CG2 THR A1225 15.363 -3.940 -2.478 1.00 0.00 C ATOM 0 H THR A1225 14.599 -0.763 -4.159 1.00 0.00 H new ATOM 0 HA THR A1225 14.203 -1.937 -1.617 1.00 0.00 H new ATOM 0 HB THR A1225 16.842 -2.414 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A1225 16.119 -3.142 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A1225 15.951 -4.696 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A1225 15.527 -4.028 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A1225 14.306 -4.089 -2.697 1.00 0.00 H new ATOM 605 N ARG A1226 15.739 -0.848 -0.013 1.00 0.00 N ATOM 606 CA ARG A1226 16.486 -0.078 0.969 1.00 0.00 C ATOM 607 C ARG A1226 17.588 -0.919 1.608 1.00 0.00 C ATOM 608 O ARG A1226 17.312 -1.804 2.422 1.00 0.00 O ATOM 609 CB ARG A1226 15.540 0.451 2.048 1.00 0.00 C ATOM 610 CG ARG A1226 15.087 1.878 1.808 1.00 0.00 C ATOM 611 CD ARG A1226 15.197 2.706 3.074 1.00 0.00 C ATOM 612 NE ARG A1226 14.672 4.056 2.896 1.00 0.00 N ATOM 613 CZ ARG A1226 15.284 5.164 3.314 1.00 0.00 C ATOM 614 NH1 ARG A1226 16.473 5.093 3.903 1.00 0.00 N ATOM 615 NH2 ARG A1226 14.714 6.341 3.128 1.00 0.00 N ATOM 0 H ARG A1226 15.103 -1.537 0.389 1.00 0.00 H new ATOM 0 HA ARG A1226 16.955 0.762 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A1226 14.664 -0.196 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A1226 16.038 0.394 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A1226 15.693 2.328 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A1226 14.055 1.881 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A1226 14.655 2.210 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A1226 16.242 2.761 3.380 1.00 0.00 H new ATOM 0 HE ARG A1226 13.776 4.159 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A1226 16.922 4.187 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A1226 16.936 5.944 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A1226 13.807 6.401 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A1226 15.181 7.190 3.447 1.00 0.00 H new ATOM 629 N PRO A1227 18.853 -0.660 1.240 1.00 0.00 N ATOM 630 CA PRO A1227 19.998 -1.361 1.817 1.00 0.00 C ATOM 631 C PRO A1227 20.375 -0.820 3.201 1.00 0.00 C ATOM 632 O PRO A1227 20.295 0.386 3.449 1.00 0.00 O ATOM 633 CB PRO A1227 21.111 -1.105 0.800 1.00 0.00 C ATOM 634 CG PRO A1227 20.765 0.196 0.159 1.00 0.00 C ATOM 635 CD PRO A1227 19.265 0.330 0.222 1.00 0.00 C ATOM 0 HA PRO A1227 19.797 -2.419 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A1227 22.085 -1.057 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A1227 21.162 -1.906 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A1227 21.249 1.023 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A1227 21.112 0.222 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A1227 18.967 1.340 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A1227 18.806 0.122 -0.744 1.00 0.00 H new ATOM 643 N PRO A1228 20.780 -1.710 4.128 1.00 0.00 N ATOM 644 CA PRO A1228 21.121 -1.330 5.502 1.00 0.00 C ATOM 645 C PRO A1228 22.538 -0.761 5.638 1.00 0.00 C ATOM 646 O PRO A1228 23.374 -1.294 6.374 1.00 0.00 O ATOM 647 CB PRO A1228 20.983 -2.647 6.263 1.00 0.00 C ATOM 648 CG PRO A1228 21.302 -3.707 5.264 1.00 0.00 C ATOM 649 CD PRO A1228 20.920 -3.163 3.910 1.00 0.00 C ATOM 0 HA PRO A1228 20.481 -0.531 5.875 1.00 0.00 H new ATOM 0 HB2 PRO A1228 21.667 -2.686 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A1228 19.975 -2.769 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A1228 22.362 -3.959 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A1228 20.751 -4.622 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A1228 21.684 -3.382 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A1228 19.989 -3.603 3.552 1.00 0.00 H new ATOM 657 N GLY A1229 22.791 0.333 4.935 1.00 0.00 N ATOM 658 CA GLY A1229 24.079 0.984 4.990 1.00 0.00 C ATOM 659 C GLY A1229 24.081 2.261 4.183 1.00 0.00 C ATOM 660 O GLY A1229 22.993 2.679 3.730 1.00 0.00 O ATOM 661 OXT GLY A1229 25.162 2.848 3.982 1.00 0.00 O ATOM 0 H GLY A1229 22.115 0.785 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A1229 24.333 1.205 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A1229 24.847 0.310 4.610 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.164 0.294 3.333 1.00 0.00 CA