USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1189 THR OG1 : rot 180:sc= 0.198 USER MOD Set 1.2: A1192 GLN : amide:sc= 0.0105 K(o=0.21,f=-0.58) USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1190 SER OG : rot 180:sc= 0.111 USER MOD Single : A1194 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.13) USER MOD Single : A1199 SER OG : rot -98:sc= 0.199 USER MOD Single : A1200 SER OG : rot 180:sc= -0.0202 USER MOD Single : A1203 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.7!) USER MOD Single : A1204 SER OG : rot -111:sc= 1.28 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=-7.03e-05 K(o=-7e-05,f=-0.64) USER MOD Single : A1218 SER OG : rot -87:sc= 1.01 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -11.829 -8.719 -4.742 1.00 0.00 N ATOM 2 CA GLY A1182 -12.510 -7.559 -4.217 1.00 0.00 C ATOM 3 C GLY A1182 -13.255 -7.877 -2.941 1.00 0.00 C ATOM 4 O GLY A1182 -14.474 -7.723 -2.872 1.00 0.00 O ATOM 0 HA2 GLY A1182 -11.786 -6.767 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -13.210 -7.180 -4.962 1.00 0.00 H new ATOM 10 N ALA A1183 -12.522 -8.329 -1.931 1.00 0.00 N ATOM 11 CA ALA A1183 -13.120 -8.697 -0.656 1.00 0.00 C ATOM 12 C ALA A1183 -13.260 -7.471 0.237 1.00 0.00 C ATOM 13 O ALA A1183 -12.299 -7.063 0.889 1.00 0.00 O ATOM 14 CB ALA A1183 -12.288 -9.772 0.032 1.00 0.00 C ATOM 0 H ALA A1183 -11.510 -8.449 -1.972 1.00 0.00 H new ATOM 0 HA ALA A1183 -14.115 -9.102 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -12.749 -10.035 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -12.238 -10.656 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -11.281 -9.395 0.209 1.00 0.00 H new ATOM 20 N MET A1184 -14.471 -6.906 0.259 1.00 0.00 N ATOM 21 CA MET A1184 -14.764 -5.662 0.972 1.00 0.00 C ATOM 22 C MET A1184 -13.923 -4.519 0.422 1.00 0.00 C ATOM 23 O MET A1184 -12.938 -4.099 1.032 1.00 0.00 O ATOM 24 CB MET A1184 -14.557 -5.811 2.485 1.00 0.00 C ATOM 25 CG MET A1184 -15.412 -4.864 3.312 1.00 0.00 C ATOM 26 SD MET A1184 -17.026 -4.540 2.565 1.00 0.00 S ATOM 27 CE MET A1184 -17.947 -5.966 3.134 1.00 0.00 C ATOM 0 H MET A1184 -15.279 -7.302 -0.221 1.00 0.00 H new ATOM 0 HA MET A1184 -15.816 -5.430 0.809 1.00 0.00 H new ATOM 0 HB2 MET A1184 -14.782 -6.837 2.775 1.00 0.00 H new ATOM 0 HB3 MET A1184 -13.507 -5.637 2.719 1.00 0.00 H new ATOM 0 HG2 MET A1184 -15.556 -5.287 4.306 1.00 0.00 H new ATOM 0 HG3 MET A1184 -14.881 -3.921 3.440 1.00 0.00 H new ATOM 0 HE1 MET A1184 -18.968 -5.914 2.756 1.00 0.00 H new ATOM 0 HE2 MET A1184 -17.471 -6.876 2.769 1.00 0.00 H new ATOM 0 HE3 MET A1184 -17.964 -5.977 4.224 1.00 0.00 H new ATOM 37 N VAL A1185 -14.326 -4.031 -0.744 1.00 0.00 N ATOM 38 CA VAL A1185 -13.618 -2.956 -1.420 1.00 0.00 C ATOM 39 C VAL A1185 -13.781 -1.654 -0.654 1.00 0.00 C ATOM 40 O VAL A1185 -14.900 -1.209 -0.384 1.00 0.00 O ATOM 41 CB VAL A1185 -14.112 -2.741 -2.868 1.00 0.00 C ATOM 42 CG1 VAL A1185 -13.046 -2.050 -3.707 1.00 0.00 C ATOM 43 CG2 VAL A1185 -14.529 -4.056 -3.514 1.00 0.00 C ATOM 0 H VAL A1185 -15.149 -4.368 -1.244 1.00 0.00 H new ATOM 0 HA VAL A1185 -12.569 -3.251 -1.457 1.00 0.00 H new ATOM 0 HB VAL A1185 -14.990 -2.096 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -13.417 -1.909 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -12.811 -1.080 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -12.147 -2.665 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -14.871 -3.869 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -13.678 -4.736 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -15.337 -4.505 -2.936 1.00 0.00 H new ATOM 53 N LEU A1186 -12.660 -1.063 -0.300 1.00 0.00 N ATOM 54 CA LEU A1186 -12.640 0.186 0.433 1.00 0.00 C ATOM 55 C LEU A1186 -12.593 1.360 -0.534 1.00 0.00 C ATOM 56 O LEU A1186 -12.030 1.252 -1.626 1.00 0.00 O ATOM 57 CB LEU A1186 -11.431 0.224 1.368 1.00 0.00 C ATOM 58 CG LEU A1186 -11.748 0.613 2.809 1.00 0.00 C ATOM 59 CD1 LEU A1186 -11.283 -0.468 3.770 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.105 1.946 3.154 1.00 0.00 C ATOM 0 H LEU A1186 -11.734 -1.435 -0.513 1.00 0.00 H new ATOM 0 HA LEU A1186 -13.549 0.260 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -10.958 -0.758 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.702 0.929 0.968 1.00 0.00 H new ATOM 0 HG LEU A1186 -12.829 0.716 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -11.518 -0.172 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.791 -1.404 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.206 -0.605 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -11.341 2.208 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -10.024 1.869 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -11.488 2.718 2.487 1.00 0.00 H new ATOM 72 N ASN A1187 -13.188 2.472 -0.137 1.00 0.00 N ATOM 73 CA ASN A1187 -13.207 3.660 -0.970 1.00 0.00 C ATOM 74 C ASN A1187 -12.097 4.611 -0.556 1.00 0.00 C ATOM 75 O ASN A1187 -11.929 4.916 0.628 1.00 0.00 O ATOM 76 CB ASN A1187 -14.562 4.361 -0.883 1.00 0.00 C ATOM 77 CG ASN A1187 -14.890 5.148 -2.136 1.00 0.00 C ATOM 78 OD1 ASN A1187 -14.316 6.206 -2.393 1.00 0.00 O ATOM 79 ND2 ASN A1187 -15.819 4.638 -2.927 1.00 0.00 N ATOM 0 H ASN A1187 -13.665 2.576 0.759 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.043 3.356 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -15.341 3.619 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -14.565 5.033 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -16.082 5.124 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -16.272 3.758 -2.680 1.00 0.00 H new ATOM 86 N CYS A1188 -11.331 5.050 -1.535 1.00 0.00 N ATOM 87 CA CYS A1188 -10.229 5.965 -1.309 1.00 0.00 C ATOM 88 C CYS A1188 -10.237 7.051 -2.375 1.00 0.00 C ATOM 89 O CYS A1188 -11.094 7.050 -3.263 1.00 0.00 O ATOM 90 CB CYS A1188 -8.899 5.207 -1.346 1.00 0.00 C ATOM 91 SG CYS A1188 -9.013 3.537 -2.076 1.00 0.00 S ATOM 0 H CYS A1188 -11.455 4.782 -2.511 1.00 0.00 H new ATOM 0 HA CYS A1188 -10.344 6.425 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.176 5.792 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.513 5.122 -0.330 1.00 0.00 H new ATOM 96 N THR A1189 -9.292 7.971 -2.292 1.00 0.00 N ATOM 97 CA THR A1189 -9.175 9.026 -3.281 1.00 0.00 C ATOM 98 C THR A1189 -8.304 8.573 -4.450 1.00 0.00 C ATOM 99 O THR A1189 -7.875 7.418 -4.506 1.00 0.00 O ATOM 100 CB THR A1189 -8.569 10.297 -2.657 1.00 0.00 C ATOM 101 OG1 THR A1189 -7.300 9.989 -2.069 1.00 0.00 O ATOM 102 CG2 THR A1189 -9.497 10.874 -1.598 1.00 0.00 C ATOM 0 H THR A1189 -8.594 8.008 -1.549 1.00 0.00 H new ATOM 0 HA THR A1189 -10.177 9.251 -3.645 1.00 0.00 H new ATOM 0 HB THR A1189 -8.437 11.039 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A1189 -6.917 10.800 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A1189 -9.049 11.771 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A1189 -10.454 11.128 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A1189 -9.654 10.137 -0.811 1.00 0.00 H new ATOM 110 N SER A1190 -8.049 9.482 -5.379 1.00 0.00 N ATOM 111 CA SER A1190 -7.153 9.206 -6.491 1.00 0.00 C ATOM 112 C SER A1190 -5.695 9.330 -6.047 1.00 0.00 C ATOM 113 O SER A1190 -4.790 8.800 -6.694 1.00 0.00 O ATOM 114 CB SER A1190 -7.444 10.173 -7.637 1.00 0.00 C ATOM 115 OG SER A1190 -8.604 10.949 -7.366 1.00 0.00 O ATOM 0 H SER A1190 -8.451 10.419 -5.384 1.00 0.00 H new ATOM 0 HA SER A1190 -7.319 8.185 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.589 10.831 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.584 9.614 -8.562 1.00 0.00 H new ATOM 0 HG SER A1190 -8.769 11.562 -8.113 1.00 0.00 H new ATOM 121 N ALA A1191 -5.481 10.031 -4.935 1.00 0.00 N ATOM 122 CA ALA A1191 -4.143 10.219 -4.387 1.00 0.00 C ATOM 123 C ALA A1191 -3.739 9.049 -3.496 1.00 0.00 C ATOM 124 O ALA A1191 -2.568 8.675 -3.452 1.00 0.00 O ATOM 125 CB ALA A1191 -4.070 11.523 -3.607 1.00 0.00 C ATOM 0 H ALA A1191 -6.222 10.479 -4.395 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.443 10.264 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.065 11.650 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.303 12.357 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.789 11.498 -2.788 1.00 0.00 H new ATOM 131 N GLN A1192 -4.711 8.478 -2.787 1.00 0.00 N ATOM 132 CA GLN A1192 -4.450 7.356 -1.890 1.00 0.00 C ATOM 133 C GLN A1192 -4.183 6.077 -2.676 1.00 0.00 C ATOM 134 O GLN A1192 -4.683 5.900 -3.788 1.00 0.00 O ATOM 135 CB GLN A1192 -5.626 7.141 -0.939 1.00 0.00 C ATOM 136 CG GLN A1192 -5.458 7.846 0.399 1.00 0.00 C ATOM 137 CD GLN A1192 -6.730 8.525 0.863 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.835 8.032 0.626 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.587 9.666 1.520 1.00 0.00 N ATOM 0 H GLN A1192 -5.686 8.775 -2.817 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.561 7.598 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.539 7.496 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.752 6.072 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -5.142 7.122 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -4.663 8.588 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -5.654 10.040 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.409 10.171 1.850 1.00 0.00 H new ATOM 148 N PHE A1193 -3.397 5.189 -2.088 1.00 0.00 N ATOM 149 CA PHE A1193 -3.039 3.942 -2.734 1.00 0.00 C ATOM 150 C PHE A1193 -4.016 2.840 -2.349 1.00 0.00 C ATOM 151 O PHE A1193 -4.141 2.482 -1.176 1.00 0.00 O ATOM 152 CB PHE A1193 -1.605 3.533 -2.364 1.00 0.00 C ATOM 153 CG PHE A1193 -1.209 2.173 -2.882 1.00 0.00 C ATOM 154 CD1 PHE A1193 -1.171 1.920 -4.244 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.881 1.148 -2.005 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.824 0.671 -4.722 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.532 -0.103 -2.479 1.00 0.00 C ATOM 158 CZ PHE A1193 -0.501 -0.341 -3.839 1.00 0.00 C ATOM 0 H PHE A1193 -2.994 5.313 -1.159 1.00 0.00 H new ATOM 0 HA PHE A1193 -3.090 4.091 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.912 4.277 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.503 3.543 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -1.416 2.709 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -0.899 1.330 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A1193 -0.805 0.486 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.284 -0.893 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A1193 -0.225 -1.316 -4.211 1.00 0.00 H new ATOM 168 N LYS A1194 -4.721 2.323 -3.339 1.00 0.00 N ATOM 169 CA LYS A1194 -5.580 1.172 -3.144 1.00 0.00 C ATOM 170 C LYS A1194 -4.754 -0.107 -3.208 1.00 0.00 C ATOM 171 O LYS A1194 -3.843 -0.221 -4.025 1.00 0.00 O ATOM 172 CB LYS A1194 -6.683 1.145 -4.193 1.00 0.00 C ATOM 173 CG LYS A1194 -7.637 -0.017 -4.012 1.00 0.00 C ATOM 174 CD LYS A1194 -8.983 0.424 -3.467 1.00 0.00 C ATOM 175 CE LYS A1194 -10.053 0.431 -4.544 1.00 0.00 C ATOM 176 NZ LYS A1194 -11.086 1.467 -4.285 1.00 0.00 N ATOM 0 H LYS A1194 -4.714 2.686 -4.292 1.00 0.00 H new ATOM 0 HA LYS A1194 -6.046 1.243 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -7.243 2.079 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.234 1.089 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.781 -0.518 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.194 -0.746 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -9.284 -0.243 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.892 1.422 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.591 0.612 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.526 -0.550 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -11.891 1.323 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -11.412 1.394 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.679 2.411 -4.446 1.00 0.00 H new ATOM 190 N CYS A1195 -5.065 -1.050 -2.330 1.00 0.00 N ATOM 191 CA CYS A1195 -4.416 -2.356 -2.329 1.00 0.00 C ATOM 192 C CYS A1195 -4.699 -3.103 -3.636 1.00 0.00 C ATOM 193 O CYS A1195 -5.593 -2.721 -4.392 1.00 0.00 O ATOM 194 CB CYS A1195 -4.915 -3.174 -1.139 1.00 0.00 C ATOM 195 SG CYS A1195 -3.679 -4.305 -0.437 1.00 0.00 S ATOM 0 H CYS A1195 -5.770 -0.934 -1.602 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.339 -2.212 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.250 -2.491 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.785 -3.753 -1.450 1.00 0.00 H new ATOM 200 N ALA A1196 -3.951 -4.174 -3.885 1.00 0.00 N ATOM 201 CA ALA A1196 -4.070 -4.926 -5.135 1.00 0.00 C ATOM 202 C ALA A1196 -5.465 -5.521 -5.313 1.00 0.00 C ATOM 203 O ALA A1196 -6.055 -5.425 -6.389 1.00 0.00 O ATOM 204 CB ALA A1196 -3.011 -6.015 -5.198 1.00 0.00 C ATOM 0 H ALA A1196 -3.254 -4.543 -3.238 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.910 -4.227 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -3.111 -6.566 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -2.021 -5.563 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -3.141 -6.698 -4.358 1.00 0.00 H new ATOM 210 N ASP A1197 -5.995 -6.122 -4.255 1.00 0.00 N ATOM 211 CA ASP A1197 -7.352 -6.667 -4.284 1.00 0.00 C ATOM 212 C ASP A1197 -8.391 -5.551 -4.123 1.00 0.00 C ATOM 213 O ASP A1197 -9.556 -5.704 -4.495 1.00 0.00 O ATOM 214 CB ASP A1197 -7.522 -7.712 -3.180 1.00 0.00 C ATOM 215 CG ASP A1197 -8.864 -8.416 -3.245 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.118 -9.133 -4.236 1.00 0.00 O ATOM 217 OD2 ASP A1197 -9.676 -8.243 -2.313 1.00 0.00 O ATOM 0 H ASP A1197 -5.509 -6.246 -3.367 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.511 -7.144 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -6.724 -8.451 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -7.416 -7.229 -2.208 1.00 0.00 H new ATOM 222 N GLY A1198 -7.946 -4.417 -3.587 1.00 0.00 N ATOM 223 CA GLY A1198 -8.836 -3.290 -3.356 1.00 0.00 C ATOM 224 C GLY A1198 -9.535 -3.345 -2.010 1.00 0.00 C ATOM 225 O GLY A1198 -10.403 -2.522 -1.722 1.00 0.00 O ATOM 0 H GLY A1198 -6.978 -4.258 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.264 -2.364 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.586 -3.260 -4.146 1.00 0.00 H new ATOM 229 N SER A1199 -9.138 -4.302 -1.180 1.00 0.00 N ATOM 230 CA SER A1199 -9.778 -4.531 0.113 1.00 0.00 C ATOM 231 C SER A1199 -9.433 -3.444 1.136 1.00 0.00 C ATOM 232 O SER A1199 -10.104 -3.311 2.158 1.00 0.00 O ATOM 233 CB SER A1199 -9.357 -5.901 0.641 1.00 0.00 C ATOM 234 OG SER A1199 -8.493 -6.553 -0.277 1.00 0.00 O ATOM 0 H SER A1199 -8.367 -4.939 -1.381 1.00 0.00 H new ATOM 0 HA SER A1199 -10.857 -4.496 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A1199 -8.854 -5.786 1.601 1.00 0.00 H new ATOM 0 HB3 SER A1199 -10.240 -6.516 0.815 1.00 0.00 H new ATOM 0 HG SER A1199 -9.009 -7.185 -0.820 1.00 0.00 H new ATOM 240 N SER A1200 -8.381 -2.680 0.867 1.00 0.00 N ATOM 241 CA SER A1200 -7.959 -1.611 1.763 1.00 0.00 C ATOM 242 C SER A1200 -7.301 -0.482 0.975 1.00 0.00 C ATOM 243 O SER A1200 -6.854 -0.687 -0.155 1.00 0.00 O ATOM 244 CB SER A1200 -6.981 -2.151 2.816 1.00 0.00 C ATOM 245 OG SER A1200 -6.598 -3.491 2.532 1.00 0.00 O ATOM 0 H SER A1200 -7.803 -2.782 0.033 1.00 0.00 H new ATOM 0 HA SER A1200 -8.842 -1.219 2.268 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.095 -1.517 2.850 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.444 -2.105 3.802 1.00 0.00 H new ATOM 0 HG SER A1200 -5.974 -3.806 3.219 1.00 0.00 H new ATOM 251 N CYS A1201 -7.270 0.708 1.562 1.00 0.00 N ATOM 252 CA CYS A1201 -6.544 1.835 0.988 1.00 0.00 C ATOM 253 C CYS A1201 -5.637 2.444 2.040 1.00 0.00 C ATOM 254 O CYS A1201 -6.038 2.608 3.192 1.00 0.00 O ATOM 255 CB CYS A1201 -7.490 2.916 0.458 1.00 0.00 C ATOM 256 SG CYS A1201 -8.916 2.288 -0.478 1.00 0.00 S ATOM 0 H CYS A1201 -7.742 0.919 2.441 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.959 1.456 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.856 3.503 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.924 3.593 -0.181 1.00 0.00 H new ATOM 261 N ILE A1202 -4.419 2.763 1.647 1.00 0.00 N ATOM 262 CA ILE A1202 -3.472 3.404 2.540 1.00 0.00 C ATOM 263 C ILE A1202 -2.980 4.706 1.927 1.00 0.00 C ATOM 264 O ILE A1202 -3.275 5.004 0.769 1.00 0.00 O ATOM 265 CB ILE A1202 -2.261 2.498 2.865 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.718 1.829 1.598 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.645 1.449 3.900 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.208 1.864 1.494 1.00 0.00 C ATOM 0 H ILE A1202 -4.060 2.587 0.709 1.00 0.00 H new ATOM 0 HA ILE A1202 -3.997 3.602 3.475 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.471 3.124 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -2.052 0.792 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.146 2.322 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.782 0.820 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.974 1.943 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.455 0.832 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.105 1.372 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.132 2.899 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.228 1.345 2.348 1.00 0.00 H new ATOM 280 N ASN A1203 -2.252 5.486 2.707 1.00 0.00 N ATOM 281 CA ASN A1203 -1.705 6.743 2.224 1.00 0.00 C ATOM 282 C ASN A1203 -0.563 6.504 1.251 1.00 0.00 C ATOM 283 O ASN A1203 0.102 5.468 1.293 1.00 0.00 O ATOM 284 CB ASN A1203 -1.191 7.590 3.386 1.00 0.00 C ATOM 285 CG ASN A1203 -1.538 9.055 3.240 1.00 0.00 C ATOM 286 OD1 ASN A1203 -1.148 9.701 2.271 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.261 9.588 4.206 1.00 0.00 N ATOM 0 H ASN A1203 -2.026 5.271 3.678 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.510 7.271 1.712 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.611 7.213 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.109 7.483 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -2.518 10.574 4.166 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -2.564 9.014 4.993 1.00 0.00 H new ATOM 294 N SER A1204 -0.325 7.480 0.391 1.00 0.00 N ATOM 295 CA SER A1204 0.812 7.452 -0.512 1.00 0.00 C ATOM 296 C SER A1204 2.101 7.705 0.266 1.00 0.00 C ATOM 297 O SER A1204 3.195 7.410 -0.213 1.00 0.00 O ATOM 298 CB SER A1204 0.622 8.507 -1.599 1.00 0.00 C ATOM 299 OG SER A1204 -0.668 9.093 -1.502 1.00 0.00 O ATOM 0 H SER A1204 -0.911 8.310 0.300 1.00 0.00 H new ATOM 0 HA SER A1204 0.883 6.471 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.386 9.278 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.749 8.052 -2.582 1.00 0.00 H new ATOM 0 HG SER A1204 -1.209 8.823 -2.274 1.00 0.00 H new ATOM 305 N ARG A1205 1.955 8.226 1.488 1.00 0.00 N ATOM 306 CA ARG A1205 3.090 8.453 2.374 1.00 0.00 C ATOM 307 C ARG A1205 3.471 7.151 3.076 1.00 0.00 C ATOM 308 O ARG A1205 4.535 7.038 3.683 1.00 0.00 O ATOM 309 CB ARG A1205 2.762 9.555 3.394 1.00 0.00 C ATOM 310 CG ARG A1205 1.927 9.092 4.579 1.00 0.00 C ATOM 311 CD ARG A1205 1.912 10.129 5.688 1.00 0.00 C ATOM 312 NE ARG A1205 3.085 10.021 6.556 1.00 0.00 N ATOM 313 CZ ARG A1205 3.028 9.920 7.885 1.00 0.00 C ATOM 314 NH1 ARG A1205 1.855 9.886 8.508 1.00 0.00 N ATOM 315 NH2 ARG A1205 4.147 9.843 8.591 1.00 0.00 N ATOM 0 H ARG A1205 1.055 8.498 1.884 1.00 0.00 H new ATOM 0 HA ARG A1205 3.942 8.787 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.696 9.977 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.231 10.358 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.907 8.894 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A1205 2.327 8.153 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A1205 1.875 11.127 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A1205 1.008 10.009 6.284 1.00 0.00 H new ATOM 0 HE ARG A1205 4.006 10.023 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A1205 0.990 9.937 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A1205 1.819 9.809 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A1205 5.051 9.861 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A1205 4.105 9.766 9.607 1.00 0.00 H new ATOM 329 N TYR A1206 2.583 6.168 2.968 1.00 0.00 N ATOM 330 CA TYR A1206 2.809 4.849 3.532 1.00 0.00 C ATOM 331 C TYR A1206 3.156 3.871 2.421 1.00 0.00 C ATOM 332 O TYR A1206 2.914 2.672 2.514 1.00 0.00 O ATOM 333 CB TYR A1206 1.574 4.388 4.286 1.00 0.00 C ATOM 334 CG TYR A1206 1.448 5.017 5.653 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.418 4.804 6.624 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.378 5.839 5.965 1.00 0.00 C ATOM 337 CE1 TYR A1206 2.319 5.390 7.869 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.269 6.427 7.208 1.00 0.00 C ATOM 339 CZ TYR A1206 1.245 6.203 8.156 1.00 0.00 C ATOM 340 OH TYR A1206 1.147 6.795 9.394 1.00 0.00 O ATOM 0 H TYR A1206 1.689 6.267 2.487 1.00 0.00 H new ATOM 0 HA TYR A1206 3.643 4.892 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.687 4.626 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.604 3.304 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.263 4.170 6.401 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.384 6.023 5.222 1.00 0.00 H new ATOM 0 HE1 TYR A1206 3.080 5.212 8.615 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.576 7.059 7.437 1.00 0.00 H new ATOM 0 HH TYR A1206 0.332 7.337 9.434 1.00 0.00 H new ATOM 350 N ARG A1207 3.669 4.418 1.347 1.00 0.00 N ATOM 351 CA ARG A1207 4.282 3.632 0.295 1.00 0.00 C ATOM 352 C ARG A1207 5.795 3.742 0.423 1.00 0.00 C ATOM 353 O ARG A1207 6.342 4.839 0.304 1.00 0.00 O ATOM 354 CB ARG A1207 3.813 4.117 -1.077 1.00 0.00 C ATOM 355 CG ARG A1207 4.012 3.101 -2.189 1.00 0.00 C ATOM 356 CD ARG A1207 2.802 2.190 -2.335 1.00 0.00 C ATOM 357 NE ARG A1207 3.055 1.081 -3.255 1.00 0.00 N ATOM 358 CZ ARG A1207 2.684 1.065 -4.536 1.00 0.00 C ATOM 359 NH1 ARG A1207 2.131 2.136 -5.088 1.00 0.00 N ATOM 360 NH2 ARG A1207 2.875 -0.028 -5.267 1.00 0.00 N ATOM 0 H ARG A1207 3.675 5.423 1.173 1.00 0.00 H new ATOM 0 HA ARG A1207 3.986 2.588 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.756 4.375 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.350 5.030 -1.332 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.193 3.621 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A1207 4.898 2.501 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A1207 2.527 1.794 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A1207 1.953 2.771 -2.694 1.00 0.00 H new ATOM 0 HE ARG A1207 3.548 0.265 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A1207 1.987 2.979 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A1207 1.850 2.117 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A1207 3.305 -0.853 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A1207 2.592 -0.042 -6.247 1.00 0.00 H new ATOM 374 N CYS A1208 6.440 2.601 0.688 1.00 0.00 N ATOM 375 CA CYS A1208 7.890 2.527 0.941 1.00 0.00 C ATOM 376 C CYS A1208 8.259 3.162 2.282 1.00 0.00 C ATOM 377 O CYS A1208 8.677 4.320 2.342 1.00 0.00 O ATOM 378 CB CYS A1208 8.702 3.173 -0.190 1.00 0.00 C ATOM 379 SG CYS A1208 9.416 1.981 -1.363 1.00 0.00 S ATOM 0 H CYS A1208 5.972 1.696 0.734 1.00 0.00 H new ATOM 0 HA CYS A1208 8.145 1.468 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.059 3.864 -0.736 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.507 3.764 0.247 1.00 0.00 H new ATOM 384 N ASP A1209 8.102 2.395 3.355 1.00 0.00 N ATOM 385 CA ASP A1209 8.452 2.861 4.697 1.00 0.00 C ATOM 386 C ASP A1209 9.145 1.759 5.494 1.00 0.00 C ATOM 387 O ASP A1209 9.969 2.041 6.363 1.00 0.00 O ATOM 388 CB ASP A1209 7.216 3.366 5.457 1.00 0.00 C ATOM 389 CG ASP A1209 6.032 2.425 5.367 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.957 1.466 6.160 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.170 2.633 4.493 1.00 0.00 O ATOM 0 H ASP A1209 7.734 1.444 3.324 1.00 0.00 H new ATOM 0 HA ASP A1209 9.143 3.696 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.477 3.512 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.928 4.340 5.062 1.00 0.00 H new ATOM 396 N GLY A1210 8.816 0.508 5.193 1.00 0.00 N ATOM 397 CA GLY A1210 9.435 -0.614 5.869 1.00 0.00 C ATOM 398 C GLY A1210 8.423 -1.651 6.312 1.00 0.00 C ATOM 399 O GLY A1210 8.706 -2.851 6.295 1.00 0.00 O ATOM 0 H GLY A1210 8.126 0.251 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.161 -1.080 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.985 -0.253 6.738 1.00 0.00 H new ATOM 403 N VAL A1211 7.239 -1.191 6.698 1.00 0.00 N ATOM 404 CA VAL A1211 6.193 -2.070 7.211 1.00 0.00 C ATOM 405 C VAL A1211 5.216 -2.438 6.094 1.00 0.00 C ATOM 406 O VAL A1211 5.178 -1.777 5.061 1.00 0.00 O ATOM 407 CB VAL A1211 5.418 -1.406 8.376 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.935 -2.450 9.369 1.00 0.00 C ATOM 409 CG2 VAL A1211 6.271 -0.366 9.090 1.00 0.00 C ATOM 0 H VAL A1211 6.977 -0.206 6.665 1.00 0.00 H new ATOM 0 HA VAL A1211 6.675 -2.972 7.588 1.00 0.00 H new ATOM 0 HB VAL A1211 4.553 -0.902 7.945 1.00 0.00 H new ATOM 0 HG11 VAL A1211 4.394 -1.960 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.273 -3.154 8.864 1.00 0.00 H new ATOM 0 HG13 VAL A1211 5.791 -2.986 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A1211 5.697 0.080 9.902 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.163 -0.843 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.565 0.411 8.384 1.00 0.00 H new ATOM 419 N TYR A1212 4.441 -3.495 6.287 1.00 0.00 N ATOM 420 CA TYR A1212 3.491 -3.934 5.285 1.00 0.00 C ATOM 421 C TYR A1212 2.080 -3.498 5.662 1.00 0.00 C ATOM 422 O TYR A1212 1.510 -3.964 6.651 1.00 0.00 O ATOM 423 CB TYR A1212 3.585 -5.447 5.125 1.00 0.00 C ATOM 424 CG TYR A1212 4.997 -5.917 4.858 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.677 -5.511 3.719 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.658 -6.742 5.757 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.973 -5.920 3.478 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.956 -7.153 5.526 1.00 0.00 C ATOM 429 CZ TYR A1212 7.609 -6.739 4.386 1.00 0.00 C ATOM 430 OH TYR A1212 8.904 -7.143 4.153 1.00 0.00 O ATOM 0 H TYR A1212 4.454 -4.064 7.133 1.00 0.00 H new ATOM 0 HA TYR A1212 3.730 -3.471 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.211 -5.928 6.029 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.940 -5.763 4.305 1.00 0.00 H new ATOM 0 HD1 TYR A1212 5.184 -4.864 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.149 -7.068 6.652 1.00 0.00 H new ATOM 0 HE1 TYR A1212 7.486 -5.600 2.583 1.00 0.00 H new ATOM 0 HE2 TYR A1212 7.456 -7.796 6.235 1.00 0.00 H new ATOM 0 HH TYR A1212 9.206 -7.715 4.889 1.00 0.00 H new ATOM 440 N ASP A1213 1.530 -2.593 4.865 1.00 0.00 N ATOM 441 CA ASP A1213 0.259 -1.953 5.181 1.00 0.00 C ATOM 442 C ASP A1213 -0.894 -2.587 4.419 1.00 0.00 C ATOM 443 O ASP A1213 -2.050 -2.484 4.831 1.00 0.00 O ATOM 444 CB ASP A1213 0.324 -0.459 4.859 1.00 0.00 C ATOM 445 CG ASP A1213 1.157 0.317 5.855 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.681 0.546 6.987 1.00 0.00 O ATOM 447 OD2 ASP A1213 2.300 0.691 5.511 1.00 0.00 O ATOM 0 H ASP A1213 1.947 -2.283 3.988 1.00 0.00 H new ATOM 0 HA ASP A1213 0.080 -2.092 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.740 -0.324 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.687 -0.051 4.841 1.00 0.00 H new ATOM 452 N CYS A1214 -0.580 -3.247 3.313 1.00 0.00 N ATOM 453 CA CYS A1214 -1.602 -3.853 2.472 1.00 0.00 C ATOM 454 C CYS A1214 -2.072 -5.193 3.039 1.00 0.00 C ATOM 455 O CYS A1214 -1.658 -5.602 4.127 1.00 0.00 O ATOM 456 CB CYS A1214 -1.072 -4.044 1.050 1.00 0.00 C ATOM 457 SG CYS A1214 -2.027 -3.154 -0.215 1.00 0.00 S ATOM 0 H CYS A1214 0.374 -3.376 2.977 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.457 -3.178 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.035 -3.710 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.074 -5.108 0.812 1.00 0.00 H new ATOM 462 N ARG A1215 -2.951 -5.863 2.296 1.00 0.00 N ATOM 463 CA ARG A1215 -3.450 -7.180 2.680 1.00 0.00 C ATOM 464 C ARG A1215 -2.333 -8.210 2.597 1.00 0.00 C ATOM 465 O ARG A1215 -2.231 -9.106 3.432 1.00 0.00 O ATOM 466 CB ARG A1215 -4.615 -7.591 1.778 1.00 0.00 C ATOM 467 CG ARG A1215 -5.935 -6.946 2.160 1.00 0.00 C ATOM 468 CD ARG A1215 -6.433 -7.455 3.501 1.00 0.00 C ATOM 469 NE ARG A1215 -7.798 -7.012 3.785 1.00 0.00 N ATOM 470 CZ ARG A1215 -8.117 -6.090 4.694 1.00 0.00 C ATOM 471 NH1 ARG A1215 -7.181 -5.503 5.434 1.00 0.00 N ATOM 472 NH2 ARG A1215 -9.388 -5.758 4.870 1.00 0.00 N ATOM 0 H ARG A1215 -3.334 -5.511 1.419 1.00 0.00 H new ATOM 0 HA ARG A1215 -3.806 -7.131 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.376 -7.328 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.726 -8.675 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.814 -5.864 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -6.679 -7.154 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.396 -8.544 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -5.767 -7.106 4.291 1.00 0.00 H new ATOM 0 HE ARG A1215 -8.557 -7.437 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -6.201 -5.756 5.311 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -7.443 -4.800 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -10.114 -6.207 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -9.640 -5.054 5.563 1.00 0.00 H new ATOM 486 N ASP A1216 -1.497 -8.064 1.579 1.00 0.00 N ATOM 487 CA ASP A1216 -0.322 -8.901 1.420 1.00 0.00 C ATOM 488 C ASP A1216 0.918 -8.084 1.751 1.00 0.00 C ATOM 489 O ASP A1216 1.332 -8.004 2.909 1.00 0.00 O ATOM 490 CB ASP A1216 -0.207 -9.469 -0.009 1.00 0.00 C ATOM 491 CG ASP A1216 -1.333 -9.054 -0.938 1.00 0.00 C ATOM 492 OD1 ASP A1216 -1.431 -7.854 -1.268 1.00 0.00 O ATOM 493 OD2 ASP A1216 -2.116 -9.930 -1.356 1.00 0.00 O ATOM 0 H ASP A1216 -1.615 -7.365 0.845 1.00 0.00 H new ATOM 0 HA ASP A1216 -0.413 -9.747 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A1216 0.741 -9.148 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -0.179 -10.557 0.046 1.00 0.00 H new ATOM 498 N ASN A1217 1.483 -7.458 0.726 1.00 0.00 N ATOM 499 CA ASN A1217 2.660 -6.610 0.872 1.00 0.00 C ATOM 500 C ASN A1217 2.874 -5.798 -0.402 1.00 0.00 C ATOM 501 O ASN A1217 3.979 -5.340 -0.676 1.00 0.00 O ATOM 502 CB ASN A1217 3.915 -7.450 1.198 1.00 0.00 C ATOM 503 CG ASN A1217 4.416 -8.287 0.030 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.684 -9.098 -0.534 1.00 0.00 O ATOM 505 ND2 ASN A1217 5.676 -8.099 -0.337 1.00 0.00 N ATOM 0 H ASN A1217 1.138 -7.524 -0.231 1.00 0.00 H new ATOM 0 HA ASN A1217 2.493 -5.927 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A1217 4.713 -6.782 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.691 -8.110 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A1217 6.067 -8.636 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A1217 6.254 -7.417 0.154 1.00 0.00 H new ATOM 512 N SER A1218 1.788 -5.587 -1.151 1.00 0.00 N ATOM 513 CA SER A1218 1.834 -4.935 -2.458 1.00 0.00 C ATOM 514 C SER A1218 2.284 -3.473 -2.361 1.00 0.00 C ATOM 515 O SER A1218 2.759 -2.890 -3.342 1.00 0.00 O ATOM 516 CB SER A1218 0.451 -5.023 -3.096 1.00 0.00 C ATOM 517 OG SER A1218 -0.522 -5.395 -2.129 1.00 0.00 O ATOM 0 H SER A1218 0.850 -5.866 -0.865 1.00 0.00 H new ATOM 0 HA SER A1218 2.571 -5.450 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A1218 0.186 -4.062 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.464 -5.752 -3.906 1.00 0.00 H new ATOM 0 HG SER A1218 -0.562 -6.372 -2.065 1.00 0.00 H new ATOM 523 N ASP A1219 2.153 -2.900 -1.168 1.00 0.00 N ATOM 524 CA ASP A1219 2.588 -1.536 -0.900 1.00 0.00 C ATOM 525 C ASP A1219 4.106 -1.417 -0.994 1.00 0.00 C ATOM 526 O ASP A1219 4.626 -0.399 -1.443 1.00 0.00 O ATOM 527 CB ASP A1219 2.102 -1.054 0.482 1.00 0.00 C ATOM 528 CG ASP A1219 2.375 -2.035 1.621 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.921 -3.203 1.537 1.00 0.00 O ATOM 530 OD2 ASP A1219 3.004 -1.642 2.610 1.00 0.00 O ATOM 0 H ASP A1219 1.742 -3.369 -0.361 1.00 0.00 H new ATOM 0 HA ASP A1219 2.142 -0.897 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.584 -0.104 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A1219 1.030 -0.863 0.431 1.00 0.00 H new ATOM 535 N GLU A1220 4.816 -2.463 -0.602 1.00 0.00 N ATOM 536 CA GLU A1220 6.268 -2.439 -0.657 1.00 0.00 C ATOM 537 C GLU A1220 6.803 -3.386 -1.733 1.00 0.00 C ATOM 538 O GLU A1220 8.006 -3.420 -2.001 1.00 0.00 O ATOM 539 CB GLU A1220 6.853 -2.779 0.713 1.00 0.00 C ATOM 540 CG GLU A1220 7.635 -1.629 1.333 1.00 0.00 C ATOM 541 CD GLU A1220 6.756 -0.632 2.070 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.708 -0.208 1.533 1.00 0.00 O ATOM 543 OE2 GLU A1220 7.106 -0.248 3.197 1.00 0.00 O ATOM 0 H GLU A1220 4.415 -3.331 -0.246 1.00 0.00 H new ATOM 0 HA GLU A1220 6.581 -1.431 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A1220 6.044 -3.064 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.508 -3.645 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A1220 8.374 -2.033 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A1220 8.184 -1.108 0.549 1.00 0.00 H new ATOM 550 N ALA A1221 5.904 -4.149 -2.348 1.00 0.00 N ATOM 551 CA ALA A1221 6.263 -5.005 -3.473 1.00 0.00 C ATOM 552 C ALA A1221 6.437 -4.161 -4.725 1.00 0.00 C ATOM 553 O ALA A1221 7.408 -4.315 -5.464 1.00 0.00 O ATOM 554 CB ALA A1221 5.209 -6.081 -3.687 1.00 0.00 C ATOM 0 H ALA A1221 4.919 -4.192 -2.085 1.00 0.00 H new ATOM 0 HA ALA A1221 7.207 -5.503 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.496 -6.709 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A1221 5.128 -6.694 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.247 -5.612 -3.894 1.00 0.00 H new ATOM 560 N GLY A1222 5.498 -3.247 -4.934 1.00 0.00 N ATOM 561 CA GLY A1222 5.613 -2.283 -6.012 1.00 0.00 C ATOM 562 C GLY A1222 6.416 -1.075 -5.581 1.00 0.00 C ATOM 563 O GLY A1222 5.931 0.055 -5.622 1.00 0.00 O ATOM 0 H GLY A1222 4.652 -3.156 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A1222 6.089 -2.751 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A1222 4.619 -1.968 -6.330 1.00 0.00 H new ATOM 567 N CYS A1223 7.640 -1.328 -5.147 1.00 0.00 N ATOM 568 CA CYS A1223 8.508 -0.299 -4.620 1.00 0.00 C ATOM 569 C CYS A1223 9.960 -0.617 -4.975 1.00 0.00 C ATOM 570 O CYS A1223 10.286 -1.786 -5.208 1.00 0.00 O ATOM 571 CB CYS A1223 8.329 -0.237 -3.104 1.00 0.00 C ATOM 572 SG CYS A1223 7.824 1.392 -2.472 1.00 0.00 S ATOM 0 H CYS A1223 8.057 -2.259 -5.152 1.00 0.00 H new ATOM 0 HA CYS A1223 8.252 0.667 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A1223 7.583 -0.975 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A1223 9.267 -0.523 -2.628 1.00 0.00 H new ATOM 577 N PRO A1224 10.838 0.416 -5.051 1.00 0.00 N ATOM 578 CA PRO A1224 12.271 0.241 -5.333 1.00 0.00 C ATOM 579 C PRO A1224 12.924 -0.842 -4.473 1.00 0.00 C ATOM 580 O PRO A1224 12.837 -0.814 -3.241 1.00 0.00 O ATOM 581 CB PRO A1224 12.888 1.598 -4.997 1.00 0.00 C ATOM 582 CG PRO A1224 11.774 2.588 -5.012 1.00 0.00 C ATOM 583 CD PRO A1224 10.480 1.836 -4.895 1.00 0.00 C ATOM 0 HA PRO A1224 12.423 -0.076 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A1224 13.371 1.573 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A1224 13.654 1.866 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A1224 11.880 3.293 -4.188 1.00 0.00 H new ATOM 0 HG3 PRO A1224 11.794 3.170 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.006 2.018 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A1224 9.772 2.150 -5.663 1.00 0.00 H new ATOM 591 N THR A1225 13.566 -1.797 -5.132 1.00 0.00 N ATOM 592 CA THR A1225 14.228 -2.893 -4.447 1.00 0.00 C ATOM 593 C THR A1225 15.571 -2.447 -3.881 1.00 0.00 C ATOM 594 O THR A1225 16.553 -2.329 -4.616 1.00 0.00 O ATOM 595 CB THR A1225 14.444 -4.082 -5.394 1.00 0.00 C ATOM 596 OG1 THR A1225 14.346 -3.644 -6.759 1.00 0.00 O ATOM 597 CG2 THR A1225 13.418 -5.174 -5.140 1.00 0.00 C ATOM 0 H THR A1225 13.641 -1.832 -6.149 1.00 0.00 H new ATOM 0 HA THR A1225 13.581 -3.205 -3.627 1.00 0.00 H new ATOM 0 HB THR A1225 15.438 -4.488 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A1225 14.486 -4.407 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A1225 13.593 -6.004 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A1225 13.508 -5.525 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A1225 12.416 -4.776 -5.301 1.00 0.00 H new ATOM 605 N ARG A1226 15.586 -2.212 -2.569 1.00 0.00 N ATOM 606 CA ARG A1226 16.755 -1.711 -1.840 1.00 0.00 C ATOM 607 C ARG A1226 17.257 -0.380 -2.410 1.00 0.00 C ATOM 608 O ARG A1226 18.116 -0.354 -3.294 1.00 0.00 O ATOM 609 CB ARG A1226 17.883 -2.739 -1.835 1.00 0.00 C ATOM 610 CG ARG A1226 17.998 -3.508 -0.534 1.00 0.00 C ATOM 611 CD ARG A1226 18.686 -2.679 0.538 1.00 0.00 C ATOM 612 NE ARG A1226 19.490 -3.504 1.434 1.00 0.00 N ATOM 613 CZ ARG A1226 19.136 -3.826 2.678 1.00 0.00 C ATOM 614 NH1 ARG A1226 18.017 -3.341 3.210 1.00 0.00 N ATOM 615 NH2 ARG A1226 19.919 -4.616 3.396 1.00 0.00 N ATOM 0 H ARG A1226 14.774 -2.366 -1.972 1.00 0.00 H new ATOM 0 HA ARG A1226 16.436 -1.537 -0.813 1.00 0.00 H new ATOM 0 HB2 ARG A1226 17.724 -3.444 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A1226 18.827 -2.231 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A1226 17.005 -3.798 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A1226 18.558 -4.428 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A1226 19.322 -1.931 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A1226 17.936 -2.140 1.117 1.00 0.00 H new ATOM 0 HE ARG A1226 20.381 -3.857 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A1226 17.422 -2.717 2.665 1.00 0.00 H new ATOM 0 HH12 ARG A1226 17.754 -3.593 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A1226 20.787 -4.974 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A1226 19.655 -4.867 4.349 1.00 0.00 H new ATOM 629 N PRO A1227 16.736 0.741 -1.890 1.00 0.00 N ATOM 630 CA PRO A1227 17.077 2.085 -2.373 1.00 0.00 C ATOM 631 C PRO A1227 18.551 2.442 -2.156 1.00 0.00 C ATOM 632 O PRO A1227 19.068 2.336 -1.039 1.00 0.00 O ATOM 633 CB PRO A1227 16.176 3.007 -1.548 1.00 0.00 C ATOM 634 CG PRO A1227 15.818 2.217 -0.338 1.00 0.00 C ATOM 635 CD PRO A1227 15.775 0.783 -0.776 1.00 0.00 C ATOM 0 HA PRO A1227 16.927 2.170 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A1227 16.694 3.927 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A1227 15.287 3.294 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A1227 16.554 2.361 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A1227 14.854 2.532 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A1227 16.063 0.107 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A1227 14.775 0.490 -1.096 1.00 0.00 H new ATOM 643 N PRO A1228 19.246 2.856 -3.233 1.00 0.00 N ATOM 644 CA PRO A1228 20.660 3.243 -3.175 1.00 0.00 C ATOM 645 C PRO A1228 20.879 4.534 -2.392 1.00 0.00 C ATOM 646 O PRO A1228 20.130 5.505 -2.542 1.00 0.00 O ATOM 647 CB PRO A1228 21.053 3.444 -4.645 1.00 0.00 C ATOM 648 CG PRO A1228 19.949 2.834 -5.440 1.00 0.00 C ATOM 649 CD PRO A1228 18.716 2.964 -4.599 1.00 0.00 C ATOM 0 HA PRO A1228 21.257 2.488 -2.663 1.00 0.00 H new ATOM 0 HB2 PRO A1228 21.167 4.502 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A1228 22.007 2.964 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A1228 19.826 3.346 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A1228 20.161 1.788 -5.664 1.00 0.00 H new ATOM 0 HD2 PRO A1228 18.212 3.916 -4.764 1.00 0.00 H new ATOM 0 HD3 PRO A1228 17.993 2.178 -4.816 1.00 0.00 H new ATOM 657 N GLY A1229 21.906 4.536 -1.559 1.00 0.00 N ATOM 658 CA GLY A1229 22.207 5.695 -0.752 1.00 0.00 C ATOM 659 C GLY A1229 22.783 5.301 0.584 1.00 0.00 C ATOM 660 O GLY A1229 23.932 4.817 0.616 1.00 0.00 O ATOM 661 OXT GLY A1229 22.085 5.448 1.604 1.00 0.00 O ATOM 0 H GLY A1229 22.541 3.748 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A1229 22.914 6.334 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A1229 21.300 6.280 -0.600 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 4.116 0.380 3.597 1.00 0.00 CA