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: A1192 GLN : amide:sc= 0.0709 K(o=1.9,f=-7.7!) USER MOD Set 1.2: A1203 ASN : amide:sc= 0.39 K(o=1.9,f=-4.4!) USER MOD Set 1.3: A1204 SER OG : rot -106:sc= 1.41 USER MOD Set 2.1: A1189 THR OG1 : rot 28:sc= 0.342 USER MOD Set 2.2: A1190 SER OG : rot 180:sc= 0.17 USER MOD Single : A1184 MET CE :methyl 171:sc= -0.0531 (180deg=-0.221) USER MOD Single : A1187 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A1194 LYS NZ :NH3+ -100:sc= 0.169 (180deg=0.0463) USER MOD Single : A1199 SER OG : rot -86:sc= 1.66 USER MOD Single : A1200 SER OG : rot 77:sc= 0.226 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= -0.0456 K(o=-0.046,f=-2.4!) USER MOD Single : A1218 SER OG : rot 150:sc= 0.11 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -17.155 -8.077 6.850 1.00 0.00 N ATOM 2 CA GLY A1182 -17.818 -7.315 5.817 1.00 0.00 C ATOM 3 C GLY A1182 -16.958 -6.179 5.311 1.00 0.00 C ATOM 4 O GLY A1182 -15.999 -5.778 5.976 1.00 0.00 O ATOM 0 HA2 GLY A1182 -18.073 -7.974 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -18.755 -6.915 6.206 1.00 0.00 H new ATOM 10 N ALA A1183 -17.291 -5.668 4.130 1.00 0.00 N ATOM 11 CA ALA A1183 -16.568 -4.550 3.545 1.00 0.00 C ATOM 12 C ALA A1183 -16.971 -3.247 4.221 1.00 0.00 C ATOM 13 O ALA A1183 -18.136 -2.849 4.182 1.00 0.00 O ATOM 14 CB ALA A1183 -16.818 -4.472 2.046 1.00 0.00 C ATOM 0 H ALA A1183 -18.062 -6.014 3.559 1.00 0.00 H new ATOM 0 HA ALA A1183 -15.502 -4.709 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -16.268 -3.629 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -16.482 -5.395 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -17.884 -4.337 1.861 1.00 0.00 H new ATOM 20 N MET A1184 -16.004 -2.601 4.853 1.00 0.00 N ATOM 21 CA MET A1184 -16.246 -1.352 5.559 1.00 0.00 C ATOM 22 C MET A1184 -16.035 -0.168 4.623 1.00 0.00 C ATOM 23 O MET A1184 -15.275 -0.263 3.657 1.00 0.00 O ATOM 24 CB MET A1184 -15.312 -1.243 6.771 1.00 0.00 C ATOM 25 CG MET A1184 -15.736 -0.206 7.801 1.00 0.00 C ATOM 26 SD MET A1184 -17.521 -0.163 8.065 1.00 0.00 S ATOM 27 CE MET A1184 -17.722 1.486 8.734 1.00 0.00 C ATOM 0 H MET A1184 -15.037 -2.924 4.892 1.00 0.00 H new ATOM 0 HA MET A1184 -17.278 -1.340 5.909 1.00 0.00 H new ATOM 0 HB2 MET A1184 -15.253 -2.217 7.257 1.00 0.00 H new ATOM 0 HB3 MET A1184 -14.309 -1.000 6.421 1.00 0.00 H new ATOM 0 HG2 MET A1184 -15.239 -0.418 8.748 1.00 0.00 H new ATOM 0 HG3 MET A1184 -15.398 0.779 7.477 1.00 0.00 H new ATOM 0 HE1 MET A1184 -18.783 1.725 8.800 1.00 0.00 H new ATOM 0 HE2 MET A1184 -17.277 1.532 9.728 1.00 0.00 H new ATOM 0 HE3 MET A1184 -17.228 2.206 8.082 1.00 0.00 H new ATOM 37 N VAL A1185 -16.726 0.933 4.904 1.00 0.00 N ATOM 38 CA VAL A1185 -16.538 2.173 4.159 1.00 0.00 C ATOM 39 C VAL A1185 -15.136 2.709 4.406 1.00 0.00 C ATOM 40 O VAL A1185 -14.783 3.046 5.537 1.00 0.00 O ATOM 41 CB VAL A1185 -17.560 3.268 4.550 1.00 0.00 C ATOM 42 CG1 VAL A1185 -17.959 4.086 3.330 1.00 0.00 C ATOM 43 CG2 VAL A1185 -18.792 2.672 5.222 1.00 0.00 C ATOM 0 H VAL A1185 -17.424 0.991 5.646 1.00 0.00 H new ATOM 0 HA VAL A1185 -16.689 1.935 3.106 1.00 0.00 H new ATOM 0 HB VAL A1185 -17.078 3.928 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -18.678 4.851 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -17.075 4.563 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -18.410 3.431 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -19.487 3.471 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -19.278 1.976 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -18.493 2.143 6.127 1.00 0.00 H new ATOM 53 N LEU A1186 -14.342 2.769 3.356 1.00 0.00 N ATOM 54 CA LEU A1186 -12.957 3.183 3.473 1.00 0.00 C ATOM 55 C LEU A1186 -12.731 4.492 2.742 1.00 0.00 C ATOM 56 O LEU A1186 -13.099 4.632 1.573 1.00 0.00 O ATOM 57 CB LEU A1186 -12.025 2.108 2.923 1.00 0.00 C ATOM 58 CG LEU A1186 -11.224 1.362 3.985 1.00 0.00 C ATOM 59 CD1 LEU A1186 -11.536 -0.122 3.936 1.00 0.00 C ATOM 60 CD2 LEU A1186 -9.736 1.609 3.804 1.00 0.00 C ATOM 0 H LEU A1186 -14.634 2.535 2.407 1.00 0.00 H new ATOM 0 HA LEU A1186 -12.734 3.328 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -12.616 1.387 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -11.331 2.571 2.221 1.00 0.00 H new ATOM 0 HG LEU A1186 -11.512 1.740 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -10.957 -0.641 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -12.599 -0.277 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -11.276 -0.516 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -9.181 1.068 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -9.426 1.260 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -9.531 2.676 3.892 1.00 0.00 H new ATOM 72 N ASN A1187 -12.136 5.447 3.432 1.00 0.00 N ATOM 73 CA ASN A1187 -11.852 6.740 2.843 1.00 0.00 C ATOM 74 C ASN A1187 -10.539 6.686 2.081 1.00 0.00 C ATOM 75 O ASN A1187 -9.453 6.565 2.659 1.00 0.00 O ATOM 76 CB ASN A1187 -11.855 7.835 3.917 1.00 0.00 C ATOM 77 CG ASN A1187 -10.945 9.016 3.618 1.00 0.00 C ATOM 78 OD1 ASN A1187 -11.090 9.698 2.601 1.00 0.00 O ATOM 79 ND2 ASN A1187 -10.009 9.275 4.518 1.00 0.00 N ATOM 0 H ASN A1187 -11.840 5.350 4.403 1.00 0.00 H new ATOM 0 HA ASN A1187 -12.637 6.992 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -12.874 8.201 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -11.556 7.394 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -9.375 10.063 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -9.921 8.687 5.347 1.00 0.00 H new ATOM 86 N CYS A1188 -10.672 6.741 0.773 1.00 0.00 N ATOM 87 CA CYS A1188 -9.542 6.714 -0.132 1.00 0.00 C ATOM 88 C CYS A1188 -9.946 7.231 -1.505 1.00 0.00 C ATOM 89 O CYS A1188 -10.982 6.842 -2.053 1.00 0.00 O ATOM 90 CB CYS A1188 -8.970 5.302 -0.249 1.00 0.00 C ATOM 91 SG CYS A1188 -10.197 3.994 -0.610 1.00 0.00 S ATOM 0 H CYS A1188 -11.575 6.806 0.303 1.00 0.00 H new ATOM 0 HA CYS A1188 -8.769 7.365 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.215 5.297 -1.035 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.462 5.054 0.683 1.00 0.00 H new ATOM 96 N THR A1189 -9.126 8.115 -2.042 1.00 0.00 N ATOM 97 CA THR A1189 -9.369 8.720 -3.337 1.00 0.00 C ATOM 98 C THR A1189 -8.213 8.376 -4.289 1.00 0.00 C ATOM 99 O THR A1189 -7.428 7.469 -4.004 1.00 0.00 O ATOM 100 CB THR A1189 -9.569 10.259 -3.187 1.00 0.00 C ATOM 101 OG1 THR A1189 -10.021 10.845 -4.415 1.00 0.00 O ATOM 102 CG2 THR A1189 -8.294 10.956 -2.727 1.00 0.00 C ATOM 0 H THR A1189 -8.269 8.435 -1.590 1.00 0.00 H new ATOM 0 HA THR A1189 -10.287 8.319 -3.766 1.00 0.00 H new ATOM 0 HB THR A1189 -10.332 10.401 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A1189 -10.522 10.179 -4.930 1.00 0.00 H new ATOM 0 HG21 THR A1189 -8.477 12.027 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.989 10.556 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A1189 -7.502 10.785 -3.456 1.00 0.00 H new ATOM 110 N SER A1190 -8.102 9.104 -5.397 1.00 0.00 N ATOM 111 CA SER A1190 -7.094 8.844 -6.423 1.00 0.00 C ATOM 112 C SER A1190 -5.672 9.118 -5.922 1.00 0.00 C ATOM 113 O SER A1190 -4.692 8.691 -6.538 1.00 0.00 O ATOM 114 CB SER A1190 -7.391 9.714 -7.643 1.00 0.00 C ATOM 115 OG SER A1190 -8.597 10.443 -7.461 1.00 0.00 O ATOM 0 H SER A1190 -8.711 9.894 -5.610 1.00 0.00 H new ATOM 0 HA SER A1190 -7.144 7.787 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.565 10.405 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.470 9.088 -8.532 1.00 0.00 H new ATOM 0 HG SER A1190 -8.768 10.995 -8.252 1.00 0.00 H new ATOM 121 N ALA A1191 -5.563 9.833 -4.808 1.00 0.00 N ATOM 122 CA ALA A1191 -4.270 10.155 -4.222 1.00 0.00 C ATOM 123 C ALA A1191 -3.766 9.042 -3.306 1.00 0.00 C ATOM 124 O ALA A1191 -2.584 8.991 -2.980 1.00 0.00 O ATOM 125 CB ALA A1191 -4.354 11.461 -3.449 1.00 0.00 C ATOM 0 H ALA A1191 -6.361 10.202 -4.291 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.558 10.260 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.381 11.691 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.650 12.265 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.092 11.366 -2.653 1.00 0.00 H new ATOM 131 N GLN A1192 -4.659 8.150 -2.897 1.00 0.00 N ATOM 132 CA GLN A1192 -4.297 7.092 -1.965 1.00 0.00 C ATOM 133 C GLN A1192 -4.041 5.776 -2.693 1.00 0.00 C ATOM 134 O GLN A1192 -4.593 5.527 -3.765 1.00 0.00 O ATOM 135 CB GLN A1192 -5.389 6.914 -0.911 1.00 0.00 C ATOM 136 CG GLN A1192 -5.211 7.832 0.289 1.00 0.00 C ATOM 137 CD GLN A1192 -6.035 9.097 0.195 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.205 9.071 -0.180 1.00 0.00 O ATOM 139 NE2 GLN A1192 -5.426 10.210 0.551 1.00 0.00 N ATOM 0 H GLN A1192 -5.635 8.138 -3.195 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.372 7.385 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.361 7.105 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.394 5.878 -0.572 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -5.486 7.293 1.195 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -4.158 8.097 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -4.453 10.184 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -5.928 11.098 0.522 1.00 0.00 H new ATOM 148 N PHE A1193 -3.207 4.937 -2.096 1.00 0.00 N ATOM 149 CA PHE A1193 -2.841 3.657 -2.682 1.00 0.00 C ATOM 150 C PHE A1193 -3.828 2.575 -2.254 1.00 0.00 C ATOM 151 O PHE A1193 -3.988 2.303 -1.066 1.00 0.00 O ATOM 152 CB PHE A1193 -1.417 3.263 -2.260 1.00 0.00 C ATOM 153 CG PHE A1193 -1.019 1.870 -2.676 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.782 1.570 -4.007 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.890 0.860 -1.734 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.425 0.291 -4.392 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.532 -0.418 -2.113 1.00 0.00 C ATOM 158 CZ PHE A1193 -0.300 -0.704 -3.443 1.00 0.00 C ATOM 0 H PHE A1193 -2.767 5.124 -1.195 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.873 3.754 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.712 3.975 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.334 3.345 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.877 2.345 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.072 1.076 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A1193 -0.244 0.071 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.433 -1.194 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A1193 -0.021 -1.704 -3.741 1.00 0.00 H new ATOM 168 N LYS A1194 -4.492 1.971 -3.222 1.00 0.00 N ATOM 169 CA LYS A1194 -5.387 0.861 -2.949 1.00 0.00 C ATOM 170 C LYS A1194 -4.608 -0.451 -2.953 1.00 0.00 C ATOM 171 O LYS A1194 -3.614 -0.581 -3.669 1.00 0.00 O ATOM 172 CB LYS A1194 -6.507 0.812 -3.988 1.00 0.00 C ATOM 173 CG LYS A1194 -7.719 0.012 -3.540 1.00 0.00 C ATOM 174 CD LYS A1194 -8.923 0.906 -3.308 1.00 0.00 C ATOM 175 CE LYS A1194 -10.221 0.147 -3.506 1.00 0.00 C ATOM 176 NZ LYS A1194 -11.064 0.149 -2.279 1.00 0.00 N ATOM 0 H LYS A1194 -4.428 2.231 -4.206 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.833 1.005 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.820 1.830 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.117 0.380 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.961 -0.737 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.482 -0.526 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.887 1.312 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.887 1.753 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -10.779 0.593 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -9.999 -0.881 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -10.949 -0.755 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.771 0.930 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -12.062 0.273 -2.544 1.00 0.00 H new ATOM 190 N CYS A1195 -5.055 -1.406 -2.143 1.00 0.00 N ATOM 191 CA CYS A1195 -4.460 -2.737 -2.102 1.00 0.00 C ATOM 192 C CYS A1195 -4.618 -3.434 -3.454 1.00 0.00 C ATOM 193 O CYS A1195 -5.474 -3.052 -4.253 1.00 0.00 O ATOM 194 CB CYS A1195 -5.131 -3.564 -1.002 1.00 0.00 C ATOM 195 SG CYS A1195 -4.038 -4.019 0.386 1.00 0.00 S ATOM 0 H CYS A1195 -5.836 -1.280 -1.499 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.396 -2.644 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.978 -3.002 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.531 -4.476 -1.445 1.00 0.00 H new ATOM 200 N ALA A1196 -3.806 -4.456 -3.702 1.00 0.00 N ATOM 201 CA ALA A1196 -3.802 -5.143 -4.993 1.00 0.00 C ATOM 202 C ALA A1196 -5.107 -5.901 -5.243 1.00 0.00 C ATOM 203 O ALA A1196 -5.545 -6.035 -6.387 1.00 0.00 O ATOM 204 CB ALA A1196 -2.613 -6.081 -5.087 1.00 0.00 C ATOM 0 H ALA A1196 -3.140 -4.829 -3.026 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.717 -4.383 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.623 -6.585 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.690 -5.510 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.671 -6.822 -4.290 1.00 0.00 H new ATOM 210 N ASP A1197 -5.721 -6.393 -4.173 1.00 0.00 N ATOM 211 CA ASP A1197 -7.018 -7.052 -4.262 1.00 0.00 C ATOM 212 C ASP A1197 -8.123 -6.019 -4.476 1.00 0.00 C ATOM 213 O ASP A1197 -9.146 -6.307 -5.096 1.00 0.00 O ATOM 214 CB ASP A1197 -7.284 -7.863 -2.989 1.00 0.00 C ATOM 215 CG ASP A1197 -8.625 -8.566 -2.996 1.00 0.00 C ATOM 216 OD1 ASP A1197 -8.813 -9.492 -3.810 1.00 0.00 O ATOM 217 OD2 ASP A1197 -9.486 -8.207 -2.168 1.00 0.00 O ATOM 0 H ASP A1197 -5.338 -6.347 -3.229 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.010 -7.731 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -6.494 -8.604 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -7.234 -7.199 -2.126 1.00 0.00 H new ATOM 222 N GLY A1198 -7.886 -4.807 -3.990 1.00 0.00 N ATOM 223 CA GLY A1198 -8.858 -3.739 -4.135 1.00 0.00 C ATOM 224 C GLY A1198 -9.724 -3.566 -2.904 1.00 0.00 C ATOM 225 O GLY A1198 -10.770 -2.921 -2.961 1.00 0.00 O ATOM 0 H GLY A1198 -7.034 -4.543 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.337 -2.804 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.494 -3.946 -4.996 1.00 0.00 H new ATOM 229 N SER A1199 -9.291 -4.134 -1.788 1.00 0.00 N ATOM 230 CA SER A1199 -10.052 -4.060 -0.550 1.00 0.00 C ATOM 231 C SER A1199 -9.747 -2.770 0.217 1.00 0.00 C ATOM 232 O SER A1199 -10.538 -1.824 0.197 1.00 0.00 O ATOM 233 CB SER A1199 -9.749 -5.289 0.312 1.00 0.00 C ATOM 234 OG SER A1199 -8.831 -6.151 -0.347 1.00 0.00 O ATOM 0 H SER A1199 -8.415 -4.652 -1.715 1.00 0.00 H new ATOM 0 HA SER A1199 -11.114 -4.047 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A1199 -9.336 -4.974 1.270 1.00 0.00 H new ATOM 0 HB3 SER A1199 -10.673 -5.827 0.524 1.00 0.00 H new ATOM 0 HG SER A1199 -9.321 -6.763 -0.935 1.00 0.00 H new ATOM 240 N SER A1200 -8.599 -2.732 0.878 1.00 0.00 N ATOM 241 CA SER A1200 -8.220 -1.591 1.698 1.00 0.00 C ATOM 242 C SER A1200 -7.494 -0.531 0.871 1.00 0.00 C ATOM 243 O SER A1200 -7.062 -0.796 -0.252 1.00 0.00 O ATOM 244 CB SER A1200 -7.322 -2.075 2.834 1.00 0.00 C ATOM 245 OG SER A1200 -6.744 -3.334 2.518 1.00 0.00 O ATOM 0 H SER A1200 -7.910 -3.484 0.862 1.00 0.00 H new ATOM 0 HA SER A1200 -9.122 -1.133 2.103 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.535 -1.344 3.018 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.902 -2.156 3.753 1.00 0.00 H new ATOM 0 HG SER A1200 -6.012 -3.207 1.879 1.00 0.00 H new ATOM 251 N CYS A1201 -7.386 0.674 1.420 1.00 0.00 N ATOM 252 CA CYS A1201 -6.617 1.740 0.798 1.00 0.00 C ATOM 253 C CYS A1201 -5.866 2.533 1.862 1.00 0.00 C ATOM 254 O CYS A1201 -6.459 2.992 2.839 1.00 0.00 O ATOM 255 CB CYS A1201 -7.514 2.689 -0.009 1.00 0.00 C ATOM 256 SG CYS A1201 -9.294 2.277 0.002 1.00 0.00 S ATOM 0 H CYS A1201 -7.826 0.936 2.302 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.908 1.277 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.389 3.699 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.167 2.700 -1.042 1.00 0.00 H new ATOM 261 N ILE A1202 -4.566 2.679 1.671 1.00 0.00 N ATOM 262 CA ILE A1202 -3.725 3.452 2.579 1.00 0.00 C ATOM 263 C ILE A1202 -3.255 4.721 1.879 1.00 0.00 C ATOM 264 O ILE A1202 -3.434 4.859 0.673 1.00 0.00 O ATOM 265 CB ILE A1202 -2.495 2.645 3.056 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.953 1.762 1.927 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.853 1.802 4.272 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.464 1.513 2.014 1.00 0.00 C ATOM 0 H ILE A1202 -4.062 2.268 0.886 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.323 3.700 3.456 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.712 3.348 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -2.474 0.805 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.179 2.232 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.977 1.240 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.186 2.453 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.653 1.109 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A1202 -0.152 0.881 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.067 2.464 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A1202 -0.233 1.015 2.956 1.00 0.00 H new ATOM 280 N ASN A1203 -2.666 5.648 2.624 1.00 0.00 N ATOM 281 CA ASN A1203 -2.185 6.895 2.034 1.00 0.00 C ATOM 282 C ASN A1203 -0.925 6.668 1.212 1.00 0.00 C ATOM 283 O ASN A1203 -0.241 5.654 1.362 1.00 0.00 O ATOM 284 CB ASN A1203 -1.908 7.947 3.108 1.00 0.00 C ATOM 285 CG ASN A1203 -2.785 9.170 2.946 1.00 0.00 C ATOM 286 OD1 ASN A1203 -2.742 9.847 1.921 1.00 0.00 O ATOM 287 ND2 ASN A1203 -3.590 9.456 3.955 1.00 0.00 N ATOM 0 H ASN A1203 -2.510 5.564 3.628 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.974 7.260 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -2.073 7.511 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.860 8.244 3.062 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -4.208 10.266 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -3.593 8.867 4.788 1.00 0.00 H new ATOM 294 N SER A1204 -0.617 7.630 0.353 1.00 0.00 N ATOM 295 CA SER A1204 0.564 7.567 -0.503 1.00 0.00 C ATOM 296 C SER A1204 1.855 7.725 0.302 1.00 0.00 C ATOM 297 O SER A1204 2.933 7.369 -0.169 1.00 0.00 O ATOM 298 CB SER A1204 0.475 8.653 -1.570 1.00 0.00 C ATOM 299 OG SER A1204 -0.540 9.592 -1.244 1.00 0.00 O ATOM 0 H SER A1204 -1.176 8.474 0.229 1.00 0.00 H new ATOM 0 HA SER A1204 0.591 6.585 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.434 9.163 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.263 8.202 -2.539 1.00 0.00 H new ATOM 0 HG SER A1204 -1.317 9.449 -1.824 1.00 0.00 H new ATOM 305 N ARG A1205 1.738 8.236 1.528 1.00 0.00 N ATOM 306 CA ARG A1205 2.890 8.377 2.403 1.00 0.00 C ATOM 307 C ARG A1205 3.201 7.042 3.078 1.00 0.00 C ATOM 308 O ARG A1205 4.218 6.887 3.748 1.00 0.00 O ATOM 309 CB ARG A1205 2.629 9.460 3.451 1.00 0.00 C ATOM 310 CG ARG A1205 1.483 9.137 4.395 1.00 0.00 C ATOM 311 CD ARG A1205 1.865 9.379 5.844 1.00 0.00 C ATOM 312 NE ARG A1205 3.122 8.718 6.207 1.00 0.00 N ATOM 313 CZ ARG A1205 4.194 9.346 6.700 1.00 0.00 C ATOM 314 NH1 ARG A1205 4.151 10.645 6.976 1.00 0.00 N ATOM 315 NH2 ARG A1205 5.304 8.661 6.934 1.00 0.00 N ATOM 0 H ARG A1205 0.858 8.557 1.932 1.00 0.00 H new ATOM 0 HA ARG A1205 3.753 8.675 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.536 9.613 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.415 10.400 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.618 9.749 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.187 8.096 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A1205 1.957 10.451 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A1205 1.067 9.018 6.493 1.00 0.00 H new ATOM 0 HE ARG A1205 3.183 7.709 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A1205 3.294 11.173 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A1205 4.975 11.114 7.352 1.00 0.00 H new ATOM 0 HH21 ARG A1205 5.337 7.661 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A1205 6.126 9.134 7.310 1.00 0.00 H new ATOM 329 N TYR A1206 2.300 6.082 2.889 1.00 0.00 N ATOM 330 CA TYR A1206 2.468 4.744 3.422 1.00 0.00 C ATOM 331 C TYR A1206 2.891 3.792 2.314 1.00 0.00 C ATOM 332 O TYR A1206 2.702 2.583 2.405 1.00 0.00 O ATOM 333 CB TYR A1206 1.168 4.260 4.054 1.00 0.00 C ATOM 334 CG TYR A1206 0.829 4.952 5.356 1.00 0.00 C ATOM 335 CD1 TYR A1206 1.580 4.724 6.503 1.00 0.00 C ATOM 336 CD2 TYR A1206 -0.237 5.838 5.438 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.277 5.359 7.693 1.00 0.00 C ATOM 338 CE2 TYR A1206 -0.545 6.478 6.623 1.00 0.00 C ATOM 339 CZ TYR A1206 0.215 6.235 7.747 1.00 0.00 C ATOM 340 OH TYR A1206 -0.086 6.871 8.930 1.00 0.00 O ATOM 0 H TYR A1206 1.437 6.215 2.362 1.00 0.00 H new ATOM 0 HA TYR A1206 3.244 4.767 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.352 4.414 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.238 3.187 4.231 1.00 0.00 H new ATOM 0 HD1 TYR A1206 2.414 4.039 6.464 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.836 6.030 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A1206 1.870 5.169 8.576 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -1.377 7.165 6.668 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.862 7.456 8.799 1.00 0.00 H new ATOM 350 N ARG A1207 3.416 4.351 1.243 1.00 0.00 N ATOM 351 CA ARG A1207 4.022 3.558 0.186 1.00 0.00 C ATOM 352 C ARG A1207 5.543 3.595 0.316 1.00 0.00 C ATOM 353 O ARG A1207 6.142 4.667 0.239 1.00 0.00 O ATOM 354 CB ARG A1207 3.595 4.077 -1.189 1.00 0.00 C ATOM 355 CG ARG A1207 4.023 3.184 -2.343 1.00 0.00 C ATOM 356 CD ARG A1207 2.900 2.251 -2.764 1.00 0.00 C ATOM 357 NE ARG A1207 3.401 0.979 -3.285 1.00 0.00 N ATOM 358 CZ ARG A1207 3.204 0.556 -4.535 1.00 0.00 C ATOM 359 NH1 ARG A1207 2.631 1.348 -5.429 1.00 0.00 N ATOM 360 NH2 ARG A1207 3.606 -0.651 -4.900 1.00 0.00 N ATOM 0 H ARG A1207 3.436 5.357 1.079 1.00 0.00 H new ATOM 0 HA ARG A1207 3.681 2.527 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.510 4.182 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.014 5.072 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.324 3.800 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A1207 4.894 2.599 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A1207 2.250 2.061 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.292 2.739 -3.526 1.00 0.00 H new ATOM 0 HE ARG A1207 3.933 0.379 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A1207 2.337 2.288 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A1207 2.484 1.018 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.068 -1.261 -4.225 1.00 0.00 H new ATOM 0 HH22 ARG A1207 3.454 -0.972 -5.856 1.00 0.00 H new ATOM 374 N CYS A1208 6.142 2.416 0.530 1.00 0.00 N ATOM 375 CA CYS A1208 7.597 2.260 0.651 1.00 0.00 C ATOM 376 C CYS A1208 8.152 2.987 1.878 1.00 0.00 C ATOM 377 O CYS A1208 8.665 4.101 1.775 1.00 0.00 O ATOM 378 CB CYS A1208 8.316 2.745 -0.616 1.00 0.00 C ATOM 379 SG CYS A1208 8.083 1.673 -2.071 1.00 0.00 S ATOM 0 H CYS A1208 5.628 1.540 0.624 1.00 0.00 H new ATOM 0 HA CYS A1208 7.787 1.194 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A1208 7.963 3.747 -0.858 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.383 2.825 -0.406 1.00 0.00 H new ATOM 384 N ASP A1209 8.053 2.346 3.039 1.00 0.00 N ATOM 385 CA ASP A1209 8.595 2.916 4.269 1.00 0.00 C ATOM 386 C ASP A1209 9.377 1.871 5.062 1.00 0.00 C ATOM 387 O ASP A1209 10.381 2.193 5.695 1.00 0.00 O ATOM 388 CB ASP A1209 7.487 3.533 5.140 1.00 0.00 C ATOM 389 CG ASP A1209 6.271 2.640 5.300 1.00 0.00 C ATOM 390 OD1 ASP A1209 6.295 1.731 6.155 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.278 2.848 4.573 1.00 0.00 O ATOM 0 H ASP A1209 7.605 1.437 3.154 1.00 0.00 H new ATOM 0 HA ASP A1209 9.281 3.713 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.894 3.758 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A1209 7.176 4.481 4.700 1.00 0.00 H new ATOM 396 N GLY A1210 8.923 0.625 5.018 1.00 0.00 N ATOM 397 CA GLY A1210 9.613 -0.450 5.701 1.00 0.00 C ATOM 398 C GLY A1210 8.662 -1.498 6.249 1.00 0.00 C ATOM 399 O GLY A1210 8.997 -2.682 6.305 1.00 0.00 O ATOM 0 H GLY A1210 8.082 0.339 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.312 -0.924 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A1210 10.203 -0.036 6.519 1.00 0.00 H new ATOM 403 N VAL A1211 7.467 -1.069 6.641 1.00 0.00 N ATOM 404 CA VAL A1211 6.486 -1.968 7.239 1.00 0.00 C ATOM 405 C VAL A1211 5.335 -2.224 6.277 1.00 0.00 C ATOM 406 O VAL A1211 4.728 -1.284 5.777 1.00 0.00 O ATOM 407 CB VAL A1211 5.916 -1.400 8.558 1.00 0.00 C ATOM 408 CG1 VAL A1211 5.128 -2.462 9.306 1.00 0.00 C ATOM 409 CG2 VAL A1211 7.025 -0.841 9.436 1.00 0.00 C ATOM 0 H VAL A1211 7.154 -0.102 6.555 1.00 0.00 H new ATOM 0 HA VAL A1211 7.005 -2.902 7.455 1.00 0.00 H new ATOM 0 HB VAL A1211 5.239 -0.584 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.736 -2.040 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.301 -2.806 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A1211 5.781 -3.303 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A1211 6.596 -0.448 10.358 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.734 -1.633 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A1211 7.541 -0.041 8.905 1.00 0.00 H new ATOM 419 N TYR A1212 5.038 -3.493 6.031 1.00 0.00 N ATOM 420 CA TYR A1212 3.953 -3.876 5.133 1.00 0.00 C ATOM 421 C TYR A1212 2.595 -3.504 5.734 1.00 0.00 C ATOM 422 O TYR A1212 2.200 -4.021 6.782 1.00 0.00 O ATOM 423 CB TYR A1212 4.014 -5.377 4.840 1.00 0.00 C ATOM 424 CG TYR A1212 5.156 -5.777 3.928 1.00 0.00 C ATOM 425 CD1 TYR A1212 6.430 -6.009 4.431 1.00 0.00 C ATOM 426 CD2 TYR A1212 4.957 -5.932 2.564 1.00 0.00 C ATOM 427 CE1 TYR A1212 7.470 -6.380 3.602 1.00 0.00 C ATOM 428 CE2 TYR A1212 5.990 -6.306 1.728 1.00 0.00 C ATOM 429 CZ TYR A1212 7.242 -6.527 2.251 1.00 0.00 C ATOM 430 OH TYR A1212 8.272 -6.894 1.417 1.00 0.00 O ATOM 0 H TYR A1212 5.537 -4.281 6.444 1.00 0.00 H new ATOM 0 HA TYR A1212 4.072 -3.331 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A1212 4.107 -5.918 5.782 1.00 0.00 H new ATOM 0 HB3 TYR A1212 3.073 -5.687 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A1212 6.610 -5.897 5.490 1.00 0.00 H new ATOM 0 HD2 TYR A1212 3.976 -5.757 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A1212 8.455 -6.554 4.009 1.00 0.00 H new ATOM 0 HE2 TYR A1212 5.815 -6.424 0.669 1.00 0.00 H new ATOM 0 HH TYR A1212 7.942 -6.954 0.496 1.00 0.00 H new ATOM 440 N ASP A1213 1.891 -2.603 5.061 1.00 0.00 N ATOM 441 CA ASP A1213 0.639 -2.052 5.576 1.00 0.00 C ATOM 442 C ASP A1213 -0.563 -2.661 4.870 1.00 0.00 C ATOM 443 O ASP A1213 -1.620 -2.847 5.474 1.00 0.00 O ATOM 444 CB ASP A1213 0.611 -0.532 5.403 1.00 0.00 C ATOM 445 CG ASP A1213 1.531 0.188 6.366 1.00 0.00 C ATOM 446 OD1 ASP A1213 1.409 -0.023 7.590 1.00 0.00 O ATOM 447 OD2 ASP A1213 2.381 0.973 5.897 1.00 0.00 O ATOM 0 H ASP A1213 2.166 -2.235 4.151 1.00 0.00 H new ATOM 0 HA ASP A1213 0.584 -2.299 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.896 -0.282 4.381 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.409 -0.174 5.546 1.00 0.00 H new ATOM 452 N CYS A1214 -0.403 -2.966 3.590 1.00 0.00 N ATOM 453 CA CYS A1214 -1.482 -3.550 2.810 1.00 0.00 C ATOM 454 C CYS A1214 -1.616 -5.030 3.129 1.00 0.00 C ATOM 455 O CYS A1214 -0.623 -5.705 3.400 1.00 0.00 O ATOM 456 CB CYS A1214 -1.231 -3.364 1.312 1.00 0.00 C ATOM 457 SG CYS A1214 -2.608 -2.580 0.410 1.00 0.00 S ATOM 0 H CYS A1214 0.463 -2.819 3.071 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.408 -3.040 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.334 -2.759 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.028 -4.338 0.866 1.00 0.00 H new ATOM 462 N ARG A1215 -2.846 -5.527 3.091 1.00 0.00 N ATOM 463 CA ARG A1215 -3.121 -6.943 3.317 1.00 0.00 C ATOM 464 C ARG A1215 -2.656 -7.783 2.127 1.00 0.00 C ATOM 465 O ARG A1215 -2.560 -9.007 2.213 1.00 0.00 O ATOM 466 CB ARG A1215 -4.613 -7.154 3.577 1.00 0.00 C ATOM 467 CG ARG A1215 -5.478 -6.959 2.352 1.00 0.00 C ATOM 468 CD ARG A1215 -6.898 -7.446 2.589 1.00 0.00 C ATOM 469 NE ARG A1215 -7.489 -8.028 1.384 1.00 0.00 N ATOM 470 CZ ARG A1215 -7.544 -9.339 1.129 1.00 0.00 C ATOM 471 NH1 ARG A1215 -7.035 -10.216 1.985 1.00 0.00 N ATOM 472 NH2 ARG A1215 -8.117 -9.772 0.015 1.00 0.00 N ATOM 0 H ARG A1215 -3.677 -4.966 2.904 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.564 -7.268 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.766 -8.162 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.938 -6.463 4.354 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.495 -5.903 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.044 -7.497 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.898 -8.189 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -7.514 -6.614 2.929 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.885 -7.391 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -6.597 -9.892 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -7.082 -11.214 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -8.515 -9.105 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -8.160 -10.772 -0.181 1.00 0.00 H new ATOM 486 N ASP A1216 -2.370 -7.101 1.022 1.00 0.00 N ATOM 487 CA ASP A1216 -1.833 -7.739 -0.174 1.00 0.00 C ATOM 488 C ASP A1216 -0.317 -7.668 -0.165 1.00 0.00 C ATOM 489 O ASP A1216 0.347 -8.289 -0.998 1.00 0.00 O ATOM 490 CB ASP A1216 -2.340 -7.035 -1.427 1.00 0.00 C ATOM 491 CG ASP A1216 -3.728 -7.463 -1.825 1.00 0.00 C ATOM 492 OD1 ASP A1216 -3.864 -8.519 -2.475 1.00 0.00 O ATOM 493 OD2 ASP A1216 -4.682 -6.725 -1.517 1.00 0.00 O ATOM 0 H ASP A1216 -2.504 -6.094 0.931 1.00 0.00 H new ATOM 0 HA ASP A1216 -2.160 -8.779 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -2.332 -5.958 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -1.655 -7.234 -2.251 1.00 0.00 H new ATOM 498 N ASN A1217 0.209 -6.867 0.773 1.00 0.00 N ATOM 499 CA ASN A1217 1.645 -6.590 0.898 1.00 0.00 C ATOM 500 C ASN A1217 2.180 -5.857 -0.335 1.00 0.00 C ATOM 501 O ASN A1217 3.386 -5.787 -0.552 1.00 0.00 O ATOM 502 CB ASN A1217 2.438 -7.884 1.142 1.00 0.00 C ATOM 503 CG ASN A1217 2.125 -8.518 2.484 1.00 0.00 C ATOM 504 OD1 ASN A1217 2.256 -7.889 3.531 1.00 0.00 O ATOM 505 ND2 ASN A1217 1.704 -9.771 2.462 1.00 0.00 N ATOM 0 H ASN A1217 -0.358 -6.389 1.473 1.00 0.00 H new ATOM 0 HA ASN A1217 1.778 -5.939 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A1217 2.216 -8.597 0.348 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.505 -7.667 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A1217 1.476 -10.248 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A1217 1.608 -10.261 1.573 1.00 0.00 H new ATOM 512 N SER A1218 1.269 -5.276 -1.115 1.00 0.00 N ATOM 513 CA SER A1218 1.606 -4.652 -2.389 1.00 0.00 C ATOM 514 C SER A1218 2.310 -3.310 -2.200 1.00 0.00 C ATOM 515 O SER A1218 3.004 -2.838 -3.096 1.00 0.00 O ATOM 516 CB SER A1218 0.329 -4.452 -3.206 1.00 0.00 C ATOM 517 OG SER A1218 -0.784 -4.202 -2.356 1.00 0.00 O ATOM 0 H SER A1218 0.278 -5.226 -0.880 1.00 0.00 H new ATOM 0 HA SER A1218 2.294 -5.313 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A1218 0.460 -3.617 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.137 -5.338 -3.811 1.00 0.00 H new ATOM 0 HG SER A1218 -1.430 -3.631 -2.822 1.00 0.00 H new ATOM 523 N ASP A1219 2.137 -2.717 -1.025 1.00 0.00 N ATOM 524 CA ASP A1219 2.684 -1.397 -0.735 1.00 0.00 C ATOM 525 C ASP A1219 4.207 -1.424 -0.682 1.00 0.00 C ATOM 526 O ASP A1219 4.859 -0.462 -1.089 1.00 0.00 O ATOM 527 CB ASP A1219 2.117 -0.845 0.584 1.00 0.00 C ATOM 528 CG ASP A1219 2.320 -1.771 1.777 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.852 -2.934 1.722 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.912 -1.344 2.772 1.00 0.00 O ATOM 0 H ASP A1219 1.618 -3.133 -0.252 1.00 0.00 H new ATOM 0 HA ASP A1219 2.385 -0.736 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.587 0.115 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A1219 1.051 -0.657 0.460 1.00 0.00 H new ATOM 535 N GLU A1220 4.765 -2.532 -0.211 1.00 0.00 N ATOM 536 CA GLU A1220 6.207 -2.651 -0.078 1.00 0.00 C ATOM 537 C GLU A1220 6.771 -3.723 -1.006 1.00 0.00 C ATOM 538 O GLU A1220 7.980 -3.961 -1.032 1.00 0.00 O ATOM 539 CB GLU A1220 6.575 -2.950 1.371 1.00 0.00 C ATOM 540 CG GLU A1220 7.399 -1.855 2.023 1.00 0.00 C ATOM 541 CD GLU A1220 6.556 -0.725 2.579 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.648 -0.222 1.886 1.00 0.00 O ATOM 543 OE2 GLU A1220 6.789 -0.318 3.721 1.00 0.00 O ATOM 0 H GLU A1220 4.242 -3.356 0.084 1.00 0.00 H new ATOM 0 HA GLU A1220 6.651 -1.700 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.661 -3.098 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.132 -3.886 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A1220 7.993 -2.287 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.099 -1.452 1.292 1.00 0.00 H new ATOM 550 N ALA A1221 5.900 -4.370 -1.768 1.00 0.00 N ATOM 551 CA ALA A1221 6.334 -5.330 -2.770 1.00 0.00 C ATOM 552 C ALA A1221 6.311 -4.679 -4.146 1.00 0.00 C ATOM 553 O ALA A1221 5.338 -4.805 -4.897 1.00 0.00 O ATOM 554 CB ALA A1221 5.467 -6.577 -2.744 1.00 0.00 C ATOM 0 H ALA A1221 4.889 -4.247 -1.710 1.00 0.00 H new ATOM 0 HA ALA A1221 7.354 -5.638 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.814 -7.277 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A1221 5.532 -7.045 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.432 -6.305 -2.948 1.00 0.00 H new ATOM 560 N GLY A1222 7.386 -3.975 -4.459 1.00 0.00 N ATOM 561 CA GLY A1222 7.447 -3.204 -5.678 1.00 0.00 C ATOM 562 C GLY A1222 7.494 -1.724 -5.380 1.00 0.00 C ATOM 563 O GLY A1222 6.483 -1.126 -5.020 1.00 0.00 O ATOM 0 H GLY A1222 8.226 -3.925 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A1222 8.329 -3.492 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A1222 6.578 -3.427 -6.297 1.00 0.00 H new ATOM 567 N CYS A1223 8.668 -1.137 -5.505 1.00 0.00 N ATOM 568 CA CYS A1223 8.845 0.277 -5.218 1.00 0.00 C ATOM 569 C CYS A1223 9.200 1.042 -6.489 1.00 0.00 C ATOM 570 O CYS A1223 10.026 0.582 -7.284 1.00 0.00 O ATOM 571 CB CYS A1223 9.939 0.466 -4.161 1.00 0.00 C ATOM 572 SG CYS A1223 9.767 1.981 -3.162 1.00 0.00 S ATOM 0 H CYS A1223 9.517 -1.617 -5.804 1.00 0.00 H new ATOM 0 HA CYS A1223 7.907 0.673 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS A1223 9.936 -0.396 -3.494 1.00 0.00 H new ATOM 0 HB3 CYS A1223 10.909 0.481 -4.658 1.00 0.00 H new ATOM 577 N PRO A1224 8.562 2.213 -6.708 1.00 0.00 N ATOM 578 CA PRO A1224 8.864 3.086 -7.851 1.00 0.00 C ATOM 579 C PRO A1224 10.300 3.611 -7.818 1.00 0.00 C ATOM 580 O PRO A1224 10.949 3.611 -6.767 1.00 0.00 O ATOM 581 CB PRO A1224 7.864 4.242 -7.708 1.00 0.00 C ATOM 582 CG PRO A1224 7.425 4.206 -6.286 1.00 0.00 C ATOM 583 CD PRO A1224 7.482 2.765 -5.871 1.00 0.00 C ATOM 0 HA PRO A1224 8.777 2.553 -8.798 1.00 0.00 H new ATOM 0 HB2 PRO A1224 8.329 5.197 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A1224 7.018 4.117 -8.384 1.00 0.00 H new ATOM 0 HG2 PRO A1224 8.076 4.818 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A1224 6.415 4.603 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A1224 7.703 2.661 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A1224 6.534 2.257 -6.051 1.00 0.00 H new ATOM 591 N THR A1225 10.780 4.051 -8.975 1.00 0.00 N ATOM 592 CA THR A1225 12.157 4.505 -9.139 1.00 0.00 C ATOM 593 C THR A1225 12.492 5.691 -8.230 1.00 0.00 C ATOM 594 O THR A1225 11.716 6.640 -8.110 1.00 0.00 O ATOM 595 CB THR A1225 12.421 4.899 -10.604 1.00 0.00 C ATOM 596 OG1 THR A1225 11.357 4.414 -11.435 1.00 0.00 O ATOM 597 CG2 THR A1225 13.748 4.336 -11.087 1.00 0.00 C ATOM 0 H THR A1225 10.224 4.103 -9.829 1.00 0.00 H new ATOM 0 HA THR A1225 12.799 3.671 -8.854 1.00 0.00 H new ATOM 0 HB THR A1225 12.466 5.986 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A1225 11.527 4.668 -12.366 1.00 0.00 H new ATOM 0 HG21 THR A1225 13.911 4.628 -12.124 1.00 0.00 H new ATOM 0 HG22 THR A1225 14.556 4.727 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A1225 13.730 3.249 -11.015 1.00 0.00 H new ATOM 605 N ARG A1226 13.647 5.615 -7.582 1.00 0.00 N ATOM 606 CA ARG A1226 14.118 6.690 -6.723 1.00 0.00 C ATOM 607 C ARG A1226 15.260 7.432 -7.409 1.00 0.00 C ATOM 608 O ARG A1226 16.249 6.816 -7.803 1.00 0.00 O ATOM 609 CB ARG A1226 14.588 6.137 -5.372 1.00 0.00 C ATOM 610 CG ARG A1226 13.498 5.429 -4.581 1.00 0.00 C ATOM 611 CD ARG A1226 12.424 6.401 -4.125 1.00 0.00 C ATOM 612 NE ARG A1226 11.250 5.711 -3.593 1.00 0.00 N ATOM 613 CZ ARG A1226 9.995 5.973 -3.966 1.00 0.00 C ATOM 614 NH1 ARG A1226 9.746 6.874 -4.910 1.00 0.00 N ATOM 615 NH2 ARG A1226 8.986 5.323 -3.402 1.00 0.00 N ATOM 0 H ARG A1226 14.277 4.815 -7.637 1.00 0.00 H new ATOM 0 HA ARG A1226 13.294 7.381 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A1226 15.410 5.441 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A1226 14.983 6.957 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A1226 13.048 4.650 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A1226 13.937 4.937 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A1226 12.834 7.061 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A1226 12.125 7.031 -4.963 1.00 0.00 H new ATOM 0 HE ARG A1226 11.399 4.984 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A1226 10.517 7.372 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A1226 8.784 7.068 -5.189 1.00 0.00 H new ATOM 0 HH21 ARG A1226 9.169 4.623 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A1226 8.027 5.523 -3.687 1.00 0.00 H new ATOM 629 N PRO A1227 15.128 8.757 -7.582 1.00 0.00 N ATOM 630 CA PRO A1227 16.157 9.573 -8.230 1.00 0.00 C ATOM 631 C PRO A1227 17.406 9.737 -7.358 1.00 0.00 C ATOM 632 O PRO A1227 17.312 10.117 -6.188 1.00 0.00 O ATOM 633 CB PRO A1227 15.464 10.921 -8.442 1.00 0.00 C ATOM 634 CG PRO A1227 14.394 10.978 -7.407 1.00 0.00 C ATOM 635 CD PRO A1227 13.962 9.559 -7.167 1.00 0.00 C ATOM 0 HA PRO A1227 16.517 9.118 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A1227 16.166 11.747 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A1227 15.045 10.995 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A1227 14.766 11.432 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO A1227 13.556 11.587 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A1227 13.713 9.389 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A1227 13.076 9.307 -7.750 1.00 0.00 H new ATOM 643 N PRO A1228 18.595 9.435 -7.913 1.00 0.00 N ATOM 644 CA PRO A1228 19.870 9.572 -7.210 1.00 0.00 C ATOM 645 C PRO A1228 20.364 11.022 -7.184 1.00 0.00 C ATOM 646 O PRO A1228 21.406 11.353 -7.761 1.00 0.00 O ATOM 647 CB PRO A1228 20.835 8.687 -8.021 1.00 0.00 C ATOM 648 CG PRO A1228 20.015 8.057 -9.103 1.00 0.00 C ATOM 649 CD PRO A1228 18.798 8.919 -9.270 1.00 0.00 C ATOM 0 HA PRO A1228 19.788 9.278 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A1228 21.646 9.281 -8.443 1.00 0.00 H new ATOM 0 HB3 PRO A1228 21.292 7.927 -7.387 1.00 0.00 H new ATOM 0 HG2 PRO A1228 20.580 7.998 -10.034 1.00 0.00 H new ATOM 0 HG3 PRO A1228 19.735 7.038 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A1228 18.963 9.721 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A1228 17.939 8.347 -9.621 1.00 0.00 H new ATOM 657 N GLY A1229 19.607 11.880 -6.514 1.00 0.00 N ATOM 658 CA GLY A1229 19.959 13.280 -6.415 1.00 0.00 C ATOM 659 C GLY A1229 19.274 13.941 -5.241 1.00 0.00 C ATOM 660 O GLY A1229 19.452 13.466 -4.105 1.00 0.00 O ATOM 661 OXT GLY A1229 18.538 14.924 -5.449 1.00 0.00 O ATOM 0 H GLY A1229 18.745 11.625 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A1229 21.039 13.378 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A1229 19.681 13.792 -7.336 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.034 0.627 3.851 1.00 0.00 CA