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= -0.0353 USER MOD Set 1.2: A1190 SER OG : rot 180:sc= 0.0873 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 : A1192 GLN : amide:sc= -0.604 K(o=-0.6,f=-3.8!) USER MOD Single : A1194 LYS NZ :NH3+ 173:sc= 0.0355 (180deg=0.0261) USER MOD Single : A1199 SER OG : rot 180:sc= 0.0931 USER MOD Single : A1200 SER OG : rot 180:sc= 0.00303 USER MOD Single : A1203 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1204 SER OG : rot -115:sc= 1.34 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= -0.446 X(o=-0.45,f=-0.72) USER MOD Single : A1218 SER OG : rot 180:sc= 0.145 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -21.965 1.199 -6.413 1.00 0.00 N ATOM 2 CA GLY A1182 -22.002 0.551 -5.123 1.00 0.00 C ATOM 3 C GLY A1182 -21.496 1.457 -4.022 1.00 0.00 C ATOM 4 O GLY A1182 -20.479 2.128 -4.185 1.00 0.00 O ATOM 0 HA2 GLY A1182 -23.024 0.244 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -21.397 -0.355 -5.154 1.00 0.00 H new ATOM 10 N ALA A1183 -22.194 1.465 -2.893 1.00 0.00 N ATOM 11 CA ALA A1183 -21.845 2.348 -1.785 1.00 0.00 C ATOM 12 C ALA A1183 -20.935 1.656 -0.775 1.00 0.00 C ATOM 13 O ALA A1183 -20.732 2.147 0.336 1.00 0.00 O ATOM 14 CB ALA A1183 -23.102 2.865 -1.102 1.00 0.00 C ATOM 0 H ALA A1183 -23.005 0.871 -2.720 1.00 0.00 H new ATOM 0 HA ALA A1183 -21.294 3.193 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -22.824 3.522 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -23.705 3.420 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -23.679 2.024 -0.717 1.00 0.00 H new ATOM 20 N MET A1184 -20.381 0.520 -1.167 1.00 0.00 N ATOM 21 CA MET A1184 -19.429 -0.195 -0.329 1.00 0.00 C ATOM 22 C MET A1184 -18.008 0.225 -0.693 1.00 0.00 C ATOM 23 O MET A1184 -17.199 -0.582 -1.156 1.00 0.00 O ATOM 24 CB MET A1184 -19.602 -1.707 -0.480 1.00 0.00 C ATOM 25 CG MET A1184 -19.799 -2.428 0.843 1.00 0.00 C ATOM 26 SD MET A1184 -21.229 -1.819 1.757 1.00 0.00 S ATOM 27 CE MET A1184 -22.478 -3.000 1.253 1.00 0.00 C ATOM 0 H MET A1184 -20.574 0.071 -2.062 1.00 0.00 H new ATOM 0 HA MET A1184 -19.617 0.059 0.714 1.00 0.00 H new ATOM 0 HB2 MET A1184 -20.459 -1.904 -1.124 1.00 0.00 H new ATOM 0 HB3 MET A1184 -18.725 -2.117 -0.982 1.00 0.00 H new ATOM 0 HG2 MET A1184 -19.919 -3.495 0.657 1.00 0.00 H new ATOM 0 HG3 MET A1184 -18.904 -2.310 1.454 1.00 0.00 H new ATOM 0 HE1 MET A1184 -23.424 -2.757 1.736 1.00 0.00 H new ATOM 0 HE2 MET A1184 -22.602 -2.959 0.171 1.00 0.00 H new ATOM 0 HE3 MET A1184 -22.169 -4.004 1.545 1.00 0.00 H new ATOM 37 N VAL A1185 -17.724 1.502 -0.493 1.00 0.00 N ATOM 38 CA VAL A1185 -16.428 2.071 -0.823 1.00 0.00 C ATOM 39 C VAL A1185 -15.927 2.915 0.345 1.00 0.00 C ATOM 40 O VAL A1185 -16.720 3.431 1.135 1.00 0.00 O ATOM 41 CB VAL A1185 -16.507 2.916 -2.126 1.00 0.00 C ATOM 42 CG1 VAL A1185 -17.438 4.113 -1.963 1.00 0.00 C ATOM 43 CG2 VAL A1185 -15.127 3.367 -2.596 1.00 0.00 C ATOM 0 H VAL A1185 -18.384 2.172 -0.098 1.00 0.00 H new ATOM 0 HA VAL A1185 -15.722 1.260 -1.001 1.00 0.00 H new ATOM 0 HB VAL A1185 -16.924 2.267 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -17.468 4.680 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -18.441 3.763 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -17.071 4.753 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -15.227 3.954 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -14.660 3.976 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -14.506 2.493 -2.793 1.00 0.00 H new ATOM 53 N LEU A1186 -14.619 3.028 0.463 1.00 0.00 N ATOM 54 CA LEU A1186 -14.012 3.793 1.540 1.00 0.00 C ATOM 55 C LEU A1186 -13.774 5.235 1.100 1.00 0.00 C ATOM 56 O LEU A1186 -14.187 5.639 0.010 1.00 0.00 O ATOM 57 CB LEU A1186 -12.696 3.148 1.974 1.00 0.00 C ATOM 58 CG LEU A1186 -12.834 1.926 2.883 1.00 0.00 C ATOM 59 CD1 LEU A1186 -12.821 0.652 2.057 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.716 1.901 3.914 1.00 0.00 C ATOM 0 H LEU A1186 -13.951 2.598 -0.176 1.00 0.00 H new ATOM 0 HA LEU A1186 -14.695 3.797 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -12.143 2.856 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -12.096 3.898 2.490 1.00 0.00 H new ATOM 0 HG LEU A1186 -13.786 1.990 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -12.920 -0.210 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -13.652 0.667 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -11.881 0.583 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -11.829 1.025 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -10.753 1.857 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -11.763 2.803 4.524 1.00 0.00 H new ATOM 72 N ASN A1187 -13.083 5.999 1.936 1.00 0.00 N ATOM 73 CA ASN A1187 -12.838 7.415 1.670 1.00 0.00 C ATOM 74 C ASN A1187 -11.531 7.618 0.903 1.00 0.00 C ATOM 75 O ASN A1187 -10.984 8.720 0.871 1.00 0.00 O ATOM 76 CB ASN A1187 -12.790 8.195 2.986 1.00 0.00 C ATOM 77 CG ASN A1187 -13.738 9.379 3.000 1.00 0.00 C ATOM 78 OD1 ASN A1187 -13.392 10.476 2.563 1.00 0.00 O ATOM 79 ND2 ASN A1187 -14.941 9.165 3.511 1.00 0.00 N ATOM 0 H ASN A1187 -12.679 5.661 2.810 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.657 7.787 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -13.039 7.526 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -11.773 8.547 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -15.620 9.925 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -15.189 8.240 3.863 1.00 0.00 H new ATOM 86 N CYS A1188 -11.031 6.552 0.292 1.00 0.00 N ATOM 87 CA CYS A1188 -9.788 6.615 -0.461 1.00 0.00 C ATOM 88 C CYS A1188 -10.037 7.062 -1.895 1.00 0.00 C ATOM 89 O CYS A1188 -11.104 6.818 -2.464 1.00 0.00 O ATOM 90 CB CYS A1188 -9.096 5.253 -0.471 1.00 0.00 C ATOM 91 SG CYS A1188 -10.243 3.835 -0.406 1.00 0.00 S ATOM 0 H CYS A1188 -11.470 5.631 0.304 1.00 0.00 H new ATOM 0 HA CYS A1188 -9.144 7.345 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.487 5.173 -1.372 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.416 5.196 0.379 1.00 0.00 H new ATOM 96 N THR A1189 -9.046 7.723 -2.464 1.00 0.00 N ATOM 97 CA THR A1189 -9.080 8.125 -3.855 1.00 0.00 C ATOM 98 C THR A1189 -7.885 7.496 -4.584 1.00 0.00 C ATOM 99 O THR A1189 -7.134 6.730 -3.979 1.00 0.00 O ATOM 100 CB THR A1189 -9.074 9.674 -3.970 1.00 0.00 C ATOM 101 OG1 THR A1189 -9.156 10.092 -5.340 1.00 0.00 O ATOM 102 CG2 THR A1189 -7.832 10.276 -3.324 1.00 0.00 C ATOM 0 H THR A1189 -8.195 7.996 -1.973 1.00 0.00 H new ATOM 0 HA THR A1189 -9.999 7.772 -4.324 1.00 0.00 H new ATOM 0 HB THR A1189 -9.953 10.036 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A1189 -9.152 11.071 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A1189 -7.860 11.361 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.805 10.008 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A1189 -6.941 9.890 -3.819 1.00 0.00 H new ATOM 110 N SER A1190 -7.713 7.810 -5.864 1.00 0.00 N ATOM 111 CA SER A1190 -6.613 7.267 -6.660 1.00 0.00 C ATOM 112 C SER A1190 -5.275 7.901 -6.271 1.00 0.00 C ATOM 113 O SER A1190 -4.210 7.384 -6.615 1.00 0.00 O ATOM 114 CB SER A1190 -6.889 7.486 -8.148 1.00 0.00 C ATOM 115 OG SER A1190 -8.161 8.087 -8.348 1.00 0.00 O ATOM 0 H SER A1190 -8.326 8.443 -6.378 1.00 0.00 H new ATOM 0 HA SER A1190 -6.545 6.198 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.112 8.120 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A1190 -6.847 6.532 -8.673 1.00 0.00 H new ATOM 0 HG SER A1190 -8.314 8.218 -9.307 1.00 0.00 H new ATOM 121 N ALA A1191 -5.343 9.027 -5.559 1.00 0.00 N ATOM 122 CA ALA A1191 -4.151 9.670 -5.017 1.00 0.00 C ATOM 123 C ALA A1191 -3.606 8.862 -3.844 1.00 0.00 C ATOM 124 O ALA A1191 -2.411 8.893 -3.555 1.00 0.00 O ATOM 125 CB ALA A1191 -4.458 11.098 -4.589 1.00 0.00 C ATOM 0 H ALA A1191 -6.215 9.512 -5.345 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.391 9.707 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.556 11.559 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.806 11.669 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.233 11.089 -3.822 1.00 0.00 H new ATOM 131 N GLN A1192 -4.499 8.136 -3.176 1.00 0.00 N ATOM 132 CA GLN A1192 -4.109 7.216 -2.120 1.00 0.00 C ATOM 133 C GLN A1192 -3.687 5.893 -2.739 1.00 0.00 C ATOM 134 O GLN A1192 -3.947 5.642 -3.917 1.00 0.00 O ATOM 135 CB GLN A1192 -5.266 6.984 -1.146 1.00 0.00 C ATOM 136 CG GLN A1192 -5.202 7.852 0.098 1.00 0.00 C ATOM 137 CD GLN A1192 -5.937 7.238 1.276 1.00 0.00 C ATOM 138 OE1 GLN A1192 -6.387 6.093 1.219 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.067 7.992 2.355 1.00 0.00 N ATOM 0 H GLN A1192 -5.503 8.170 -3.352 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.276 7.650 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.207 7.174 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.272 5.936 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.159 8.015 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -5.630 8.830 -0.123 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -5.681 8.936 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -6.553 7.629 3.175 1.00 0.00 H new ATOM 148 N PHE A1193 -3.042 5.048 -1.960 1.00 0.00 N ATOM 149 CA PHE A1193 -2.628 3.756 -2.458 1.00 0.00 C ATOM 150 C PHE A1193 -3.647 2.693 -2.072 1.00 0.00 C ATOM 151 O PHE A1193 -3.940 2.492 -0.894 1.00 0.00 O ATOM 152 CB PHE A1193 -1.236 3.374 -1.944 1.00 0.00 C ATOM 153 CG PHE A1193 -0.727 2.103 -2.562 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.229 2.103 -3.852 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.780 0.905 -1.868 1.00 0.00 C ATOM 156 CE1 PHE A1193 0.214 0.935 -4.440 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.345 -0.267 -2.454 1.00 0.00 C ATOM 158 CZ PHE A1193 0.154 -0.251 -3.740 1.00 0.00 C ATOM 0 H PHE A1193 -2.796 5.232 -0.987 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.573 3.818 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.538 4.184 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.270 3.260 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.186 3.029 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.165 0.888 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.607 0.951 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.395 -1.196 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.497 -1.167 -4.198 1.00 0.00 H new ATOM 168 N LYS A1194 -4.188 2.023 -3.073 1.00 0.00 N ATOM 169 CA LYS A1194 -5.140 0.953 -2.848 1.00 0.00 C ATOM 170 C LYS A1194 -4.424 -0.389 -2.849 1.00 0.00 C ATOM 171 O LYS A1194 -3.387 -0.545 -3.495 1.00 0.00 O ATOM 172 CB LYS A1194 -6.228 0.975 -3.926 1.00 0.00 C ATOM 173 CG LYS A1194 -7.635 0.827 -3.371 1.00 0.00 C ATOM 174 CD LYS A1194 -8.242 2.171 -3.009 1.00 0.00 C ATOM 175 CE LYS A1194 -9.236 2.638 -4.058 1.00 0.00 C ATOM 176 NZ LYS A1194 -10.635 2.279 -3.704 1.00 0.00 N ATOM 0 H LYS A1194 -3.982 2.203 -4.056 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.611 1.100 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.161 1.912 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.040 0.171 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -8.266 0.330 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.612 0.189 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.740 2.097 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -7.449 2.912 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.158 3.719 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -8.981 2.195 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -11.289 2.718 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.746 1.245 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.850 2.622 -2.746 1.00 0.00 H new ATOM 190 N CYS A1195 -4.978 -1.346 -2.114 1.00 0.00 N ATOM 191 CA CYS A1195 -4.437 -2.697 -2.048 1.00 0.00 C ATOM 192 C CYS A1195 -4.574 -3.404 -3.397 1.00 0.00 C ATOM 193 O CYS A1195 -5.175 -2.863 -4.328 1.00 0.00 O ATOM 194 CB CYS A1195 -5.179 -3.485 -0.969 1.00 0.00 C ATOM 195 SG CYS A1195 -4.227 -3.764 0.560 1.00 0.00 S ATOM 0 H CYS A1195 -5.815 -1.207 -1.547 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.377 -2.640 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.097 -2.954 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.472 -4.451 -1.380 1.00 0.00 H new ATOM 200 N ALA A1196 -4.034 -4.620 -3.491 1.00 0.00 N ATOM 201 CA ALA A1196 -4.053 -5.388 -4.738 1.00 0.00 C ATOM 202 C ALA A1196 -5.479 -5.636 -5.232 1.00 0.00 C ATOM 203 O ALA A1196 -5.772 -5.470 -6.417 1.00 0.00 O ATOM 204 CB ALA A1196 -3.318 -6.705 -4.551 1.00 0.00 C ATOM 0 H ALA A1196 -3.576 -5.097 -2.714 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.543 -4.798 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -3.338 -7.268 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -2.284 -6.508 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -3.804 -7.285 -3.767 1.00 0.00 H new ATOM 210 N ASP A1197 -6.361 -6.008 -4.313 1.00 0.00 N ATOM 211 CA ASP A1197 -7.765 -6.233 -4.644 1.00 0.00 C ATOM 212 C ASP A1197 -8.545 -4.920 -4.627 1.00 0.00 C ATOM 213 O ASP A1197 -9.659 -4.836 -5.143 1.00 0.00 O ATOM 214 CB ASP A1197 -8.384 -7.220 -3.657 1.00 0.00 C ATOM 215 CG ASP A1197 -9.702 -7.784 -4.144 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.716 -8.437 -5.206 1.00 0.00 O ATOM 217 OD2 ASP A1197 -10.725 -7.583 -3.461 1.00 0.00 O ATOM 0 H ASP A1197 -6.130 -6.161 -3.331 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.817 -6.651 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -7.686 -8.038 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -8.538 -6.722 -2.700 1.00 0.00 H new ATOM 222 N GLY A1198 -7.943 -3.892 -4.037 1.00 0.00 N ATOM 223 CA GLY A1198 -8.592 -2.598 -3.932 1.00 0.00 C ATOM 224 C GLY A1198 -9.492 -2.479 -2.717 1.00 0.00 C ATOM 225 O GLY A1198 -10.249 -1.515 -2.597 1.00 0.00 O ATOM 0 H GLY A1198 -7.010 -3.933 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -7.831 -1.819 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.181 -2.420 -4.832 1.00 0.00 H new ATOM 229 N SER A1199 -9.412 -3.456 -1.821 1.00 0.00 N ATOM 230 CA SER A1199 -10.235 -3.472 -0.617 1.00 0.00 C ATOM 231 C SER A1199 -9.782 -2.398 0.372 1.00 0.00 C ATOM 232 O SER A1199 -10.540 -1.488 0.708 1.00 0.00 O ATOM 233 CB SER A1199 -10.160 -4.853 0.034 1.00 0.00 C ATOM 234 OG SER A1199 -9.110 -5.626 -0.532 1.00 0.00 O ATOM 0 H SER A1199 -8.781 -4.253 -1.907 1.00 0.00 H new ATOM 0 HA SER A1199 -11.266 -3.257 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A1199 -10.000 -4.745 1.107 1.00 0.00 H new ATOM 0 HB3 SER A1199 -11.110 -5.372 -0.096 1.00 0.00 H new ATOM 0 HG SER A1199 -9.080 -6.504 -0.099 1.00 0.00 H new ATOM 240 N SER A1200 -8.544 -2.513 0.828 1.00 0.00 N ATOM 241 CA SER A1200 -7.986 -1.565 1.778 1.00 0.00 C ATOM 242 C SER A1200 -7.274 -0.429 1.050 1.00 0.00 C ATOM 243 O SER A1200 -6.812 -0.601 -0.081 1.00 0.00 O ATOM 244 CB SER A1200 -7.018 -2.293 2.714 1.00 0.00 C ATOM 245 OG SER A1200 -7.314 -3.683 2.766 1.00 0.00 O ATOM 0 H SER A1200 -7.904 -3.258 0.553 1.00 0.00 H new ATOM 0 HA SER A1200 -8.795 -1.131 2.366 1.00 0.00 H new ATOM 0 HB2 SER A1200 -5.994 -2.147 2.370 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.082 -1.865 3.715 1.00 0.00 H new ATOM 0 HG SER A1200 -6.683 -4.130 3.368 1.00 0.00 H new ATOM 251 N CYS A1201 -7.213 0.734 1.684 1.00 0.00 N ATOM 252 CA CYS A1201 -6.515 1.877 1.115 1.00 0.00 C ATOM 253 C CYS A1201 -5.694 2.583 2.181 1.00 0.00 C ATOM 254 O CYS A1201 -6.194 2.879 3.269 1.00 0.00 O ATOM 255 CB CYS A1201 -7.496 2.869 0.489 1.00 0.00 C ATOM 256 SG CYS A1201 -9.257 2.428 0.680 1.00 0.00 S ATOM 0 H CYS A1201 -7.639 0.910 2.594 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.852 1.503 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.332 3.851 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.272 2.959 -0.574 1.00 0.00 H new ATOM 261 N ILE A1202 -4.439 2.844 1.869 1.00 0.00 N ATOM 262 CA ILE A1202 -3.564 3.567 2.770 1.00 0.00 C ATOM 263 C ILE A1202 -3.084 4.847 2.104 1.00 0.00 C ATOM 264 O ILE A1202 -3.175 4.993 0.886 1.00 0.00 O ATOM 265 CB ILE A1202 -2.343 2.722 3.205 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.661 2.067 1.995 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.770 1.667 4.214 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.179 2.367 1.897 1.00 0.00 C ATOM 0 H ILE A1202 -4.001 2.563 0.992 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.140 3.801 3.665 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.618 3.387 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -1.802 0.987 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.153 2.407 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.903 1.078 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.198 2.154 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.515 1.012 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A1202 0.235 1.872 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A1202 -0.031 3.443 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.326 2.002 2.791 1.00 0.00 H new ATOM 280 N ASN A1203 -2.591 5.774 2.906 1.00 0.00 N ATOM 281 CA ASN A1203 -2.083 7.035 2.385 1.00 0.00 C ATOM 282 C ASN A1203 -0.791 6.814 1.611 1.00 0.00 C ATOM 283 O ASN A1203 -0.007 5.916 1.930 1.00 0.00 O ATOM 284 CB ASN A1203 -1.846 8.030 3.523 1.00 0.00 C ATOM 285 CG ASN A1203 -3.009 8.981 3.714 1.00 0.00 C ATOM 286 OD1 ASN A1203 -3.223 9.889 2.910 1.00 0.00 O ATOM 287 ND2 ASN A1203 -3.760 8.792 4.787 1.00 0.00 N ATOM 0 H ASN A1203 -2.531 5.680 3.920 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.831 7.447 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.673 7.483 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.942 8.603 3.318 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -4.550 9.411 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -3.549 8.028 5.429 1.00 0.00 H new ATOM 294 N SER A1204 -0.565 7.652 0.605 1.00 0.00 N ATOM 295 CA SER A1204 0.606 7.539 -0.261 1.00 0.00 C ATOM 296 C SER A1204 1.896 7.874 0.496 1.00 0.00 C ATOM 297 O SER A1204 2.995 7.536 0.052 1.00 0.00 O ATOM 298 CB SER A1204 0.442 8.470 -1.462 1.00 0.00 C ATOM 299 OG SER A1204 -0.774 9.195 -1.371 1.00 0.00 O ATOM 0 H SER A1204 -1.185 8.426 0.366 1.00 0.00 H new ATOM 0 HA SER A1204 0.683 6.507 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.282 9.163 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.457 7.889 -2.384 1.00 0.00 H new ATOM 0 HG SER A1204 -1.366 8.934 -2.107 1.00 0.00 H new ATOM 305 N ARG A1205 1.747 8.534 1.644 1.00 0.00 N ATOM 306 CA ARG A1205 2.880 8.883 2.499 1.00 0.00 C ATOM 307 C ARG A1205 3.384 7.668 3.280 1.00 0.00 C ATOM 308 O ARG A1205 4.469 7.696 3.857 1.00 0.00 O ATOM 309 CB ARG A1205 2.479 9.993 3.475 1.00 0.00 C ATOM 310 CG ARG A1205 1.329 9.609 4.395 1.00 0.00 C ATOM 311 CD ARG A1205 1.015 10.704 5.399 1.00 0.00 C ATOM 312 NE ARG A1205 0.809 12.005 4.759 1.00 0.00 N ATOM 313 CZ ARG A1205 1.072 13.172 5.349 1.00 0.00 C ATOM 314 NH1 ARG A1205 1.520 13.203 6.600 1.00 0.00 N ATOM 315 NH2 ARG A1205 0.882 14.306 4.691 1.00 0.00 N ATOM 0 H ARG A1205 0.844 8.840 2.005 1.00 0.00 H new ATOM 0 HA ARG A1205 3.687 9.235 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.344 10.262 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.199 10.880 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.442 9.399 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.580 8.691 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A1205 0.121 10.433 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A1205 1.832 10.780 6.117 1.00 0.00 H new ATOM 0 HE ARG A1205 0.443 12.020 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A1205 1.664 12.333 7.112 1.00 0.00 H new ATOM 0 HH12 ARG A1205 1.720 14.097 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A1205 0.534 14.287 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A1205 1.083 15.198 5.143 1.00 0.00 H new ATOM 329 N TYR A1206 2.586 6.606 3.298 1.00 0.00 N ATOM 330 CA TYR A1206 2.948 5.393 4.017 1.00 0.00 C ATOM 331 C TYR A1206 3.463 4.332 3.057 1.00 0.00 C ATOM 332 O TYR A1206 3.741 3.208 3.456 1.00 0.00 O ATOM 333 CB TYR A1206 1.750 4.856 4.802 1.00 0.00 C ATOM 334 CG TYR A1206 1.345 5.742 5.955 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.157 5.880 7.074 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.154 6.449 5.920 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.790 6.699 8.123 1.00 0.00 C ATOM 338 CE2 TYR A1206 -0.220 7.268 6.964 1.00 0.00 C ATOM 339 CZ TYR A1206 0.600 7.391 8.063 1.00 0.00 C ATOM 340 OH TYR A1206 0.228 8.215 9.101 1.00 0.00 O ATOM 0 H TYR A1206 1.685 6.562 2.823 1.00 0.00 H new ATOM 0 HA TYR A1206 3.744 5.640 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.903 4.742 4.126 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.990 3.863 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.090 5.338 7.124 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.493 6.357 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A1206 2.432 6.797 8.986 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -1.153 7.811 6.920 1.00 0.00 H new ATOM 0 HH TYR A1206 -0.637 8.628 8.897 1.00 0.00 H new ATOM 350 N ARG A1207 3.582 4.687 1.787 1.00 0.00 N ATOM 351 CA ARG A1207 4.134 3.774 0.800 1.00 0.00 C ATOM 352 C ARG A1207 5.659 3.863 0.827 1.00 0.00 C ATOM 353 O ARG A1207 6.212 4.963 0.906 1.00 0.00 O ATOM 354 CB ARG A1207 3.586 4.090 -0.597 1.00 0.00 C ATOM 355 CG ARG A1207 4.311 3.358 -1.712 1.00 0.00 C ATOM 356 CD ARG A1207 3.371 2.893 -2.804 1.00 0.00 C ATOM 357 NE ARG A1207 3.943 3.123 -4.129 1.00 0.00 N ATOM 358 CZ ARG A1207 4.011 2.204 -5.092 1.00 0.00 C ATOM 359 NH1 ARG A1207 3.556 0.973 -4.880 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.555 2.515 -6.261 1.00 0.00 N ATOM 0 H ARG A1207 3.305 5.596 1.417 1.00 0.00 H new ATOM 0 HA ARG A1207 3.836 2.755 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.528 3.830 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A1207 3.657 5.164 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A1207 5.067 4.015 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A1207 4.835 2.497 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A1207 3.158 1.832 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.421 3.421 -2.719 1.00 0.00 H new ATOM 0 HE ARG A1207 4.316 4.051 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A1207 3.152 0.727 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A1207 3.611 0.274 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.919 3.454 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.609 1.815 -7.001 1.00 0.00 H new ATOM 374 N CYS A1208 6.313 2.697 0.769 1.00 0.00 N ATOM 375 CA CYS A1208 7.777 2.583 0.874 1.00 0.00 C ATOM 376 C CYS A1208 8.261 3.067 2.243 1.00 0.00 C ATOM 377 O CYS A1208 9.051 4.007 2.344 1.00 0.00 O ATOM 378 CB CYS A1208 8.499 3.347 -0.252 1.00 0.00 C ATOM 379 SG CYS A1208 7.702 3.218 -1.889 1.00 0.00 S ATOM 0 H CYS A1208 5.842 1.801 0.647 1.00 0.00 H new ATOM 0 HA CYS A1208 8.026 1.527 0.765 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.564 4.399 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.520 2.974 -0.329 1.00 0.00 H new ATOM 384 N ASP A1209 7.788 2.409 3.297 1.00 0.00 N ATOM 385 CA ASP A1209 8.148 2.793 4.656 1.00 0.00 C ATOM 386 C ASP A1209 8.955 1.688 5.336 1.00 0.00 C ATOM 387 O ASP A1209 9.844 1.968 6.138 1.00 0.00 O ATOM 388 CB ASP A1209 6.896 3.166 5.482 1.00 0.00 C ATOM 389 CG ASP A1209 6.192 1.982 6.128 1.00 0.00 C ATOM 390 OD1 ASP A1209 6.582 1.580 7.244 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.236 1.458 5.526 1.00 0.00 O ATOM 0 H ASP A1209 7.157 1.610 3.236 1.00 0.00 H new ATOM 0 HA ASP A1209 8.778 3.681 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.187 3.870 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.189 3.684 4.834 1.00 0.00 H new ATOM 396 N GLY A1210 8.658 0.438 4.997 1.00 0.00 N ATOM 397 CA GLY A1210 9.352 -0.679 5.604 1.00 0.00 C ATOM 398 C GLY A1210 8.407 -1.767 6.069 1.00 0.00 C ATOM 399 O GLY A1210 8.730 -2.951 5.989 1.00 0.00 O ATOM 0 H GLY A1210 7.948 0.180 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.057 -1.098 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.935 -0.322 6.453 1.00 0.00 H new ATOM 403 N VAL A1211 7.239 -1.373 6.561 1.00 0.00 N ATOM 404 CA VAL A1211 6.248 -2.332 7.032 1.00 0.00 C ATOM 405 C VAL A1211 5.176 -2.548 5.959 1.00 0.00 C ATOM 406 O VAL A1211 4.985 -1.695 5.097 1.00 0.00 O ATOM 407 CB VAL A1211 5.621 -1.870 8.382 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.293 -1.137 8.198 1.00 0.00 C ATOM 409 CG2 VAL A1211 5.451 -3.054 9.320 1.00 0.00 C ATOM 0 H VAL A1211 6.955 -0.397 6.644 1.00 0.00 H new ATOM 0 HA VAL A1211 6.743 -3.286 7.216 1.00 0.00 H new ATOM 0 HB VAL A1211 6.315 -1.156 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A1211 3.904 -0.839 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.449 -0.251 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A1211 3.578 -1.797 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A1211 5.012 -2.715 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A1211 4.795 -3.792 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A1211 6.424 -3.505 9.517 1.00 0.00 H new ATOM 419 N TYR A1212 4.489 -3.682 5.996 1.00 0.00 N ATOM 420 CA TYR A1212 3.464 -3.971 5.009 1.00 0.00 C ATOM 421 C TYR A1212 2.100 -3.495 5.497 1.00 0.00 C ATOM 422 O TYR A1212 1.609 -3.925 6.541 1.00 0.00 O ATOM 423 CB TYR A1212 3.434 -5.465 4.693 1.00 0.00 C ATOM 424 CG TYR A1212 4.721 -5.980 4.082 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.408 -5.245 3.118 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.251 -7.200 4.474 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.585 -5.716 2.567 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.427 -7.677 3.926 1.00 0.00 C ATOM 429 CZ TYR A1212 7.089 -6.931 2.973 1.00 0.00 C ATOM 430 OH TYR A1212 8.261 -7.404 2.426 1.00 0.00 O ATOM 0 H TYR A1212 4.624 -4.412 6.696 1.00 0.00 H new ATOM 0 HA TYR A1212 3.705 -3.431 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.230 -6.018 5.610 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.610 -5.667 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A1212 5.015 -4.292 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A1212 4.736 -7.787 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A1212 7.107 -5.134 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A1212 6.826 -8.629 4.243 1.00 0.00 H new ATOM 0 HH TYR A1212 8.479 -8.274 2.821 1.00 0.00 H new ATOM 440 N ASP A1213 1.507 -2.593 4.731 1.00 0.00 N ATOM 441 CA ASP A1213 0.220 -1.996 5.078 1.00 0.00 C ATOM 442 C ASP A1213 -0.915 -2.822 4.509 1.00 0.00 C ATOM 443 O ASP A1213 -1.966 -2.976 5.132 1.00 0.00 O ATOM 444 CB ASP A1213 0.124 -0.575 4.529 1.00 0.00 C ATOM 445 CG ASP A1213 0.736 0.452 5.448 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.167 0.711 6.526 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.794 1.005 5.088 1.00 0.00 O ATOM 0 H ASP A1213 1.900 -2.253 3.853 1.00 0.00 H new ATOM 0 HA ASP A1213 0.143 -1.970 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.622 -0.531 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.924 -0.326 4.361 1.00 0.00 H new ATOM 452 N CYS A1214 -0.690 -3.342 3.314 1.00 0.00 N ATOM 453 CA CYS A1214 -1.658 -4.175 2.636 1.00 0.00 C ATOM 454 C CYS A1214 -1.677 -5.562 3.264 1.00 0.00 C ATOM 455 O CYS A1214 -0.749 -5.934 3.987 1.00 0.00 O ATOM 456 CB CYS A1214 -1.302 -4.259 1.150 1.00 0.00 C ATOM 457 SG CYS A1214 -2.336 -3.211 0.078 1.00 0.00 S ATOM 0 H CYS A1214 0.172 -3.196 2.789 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.652 -3.740 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.258 -3.974 1.021 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.392 -5.295 0.824 1.00 0.00 H new ATOM 462 N ARG A1215 -2.722 -6.337 2.983 1.00 0.00 N ATOM 463 CA ARG A1215 -2.853 -7.686 3.534 1.00 0.00 C ATOM 464 C ARG A1215 -2.062 -8.704 2.714 1.00 0.00 C ATOM 465 O ARG A1215 -2.448 -9.866 2.585 1.00 0.00 O ATOM 466 CB ARG A1215 -4.318 -8.081 3.600 1.00 0.00 C ATOM 467 CG ARG A1215 -5.001 -7.629 4.876 1.00 0.00 C ATOM 468 CD ARG A1215 -4.793 -8.635 6.000 1.00 0.00 C ATOM 469 NE ARG A1215 -3.712 -8.243 6.907 1.00 0.00 N ATOM 470 CZ ARG A1215 -3.648 -8.590 8.195 1.00 0.00 C ATOM 471 NH1 ARG A1215 -4.604 -9.338 8.738 1.00 0.00 N ATOM 472 NH2 ARG A1215 -2.623 -8.192 8.938 1.00 0.00 N ATOM 0 H ARG A1215 -3.492 -6.055 2.376 1.00 0.00 H new ATOM 0 HA ARG A1215 -2.439 -7.681 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.842 -7.654 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.400 -9.165 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -4.608 -6.658 5.177 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -6.068 -7.499 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -5.719 -8.740 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -4.569 -9.612 5.572 1.00 0.00 H new ATOM 0 HE ARG A1215 -2.959 -7.667 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -5.392 -9.650 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -4.549 -9.600 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -1.885 -7.622 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -2.573 -8.456 9.922 1.00 0.00 H new ATOM 486 N ASP A1216 -0.957 -8.236 2.167 1.00 0.00 N ATOM 487 CA ASP A1216 -0.024 -9.055 1.420 1.00 0.00 C ATOM 488 C ASP A1216 1.348 -8.399 1.501 1.00 0.00 C ATOM 489 O ASP A1216 2.059 -8.559 2.493 1.00 0.00 O ATOM 490 CB ASP A1216 -0.481 -9.204 -0.032 1.00 0.00 C ATOM 491 CG ASP A1216 -0.022 -10.507 -0.652 1.00 0.00 C ATOM 492 OD1 ASP A1216 -0.554 -11.567 -0.272 1.00 0.00 O ATOM 493 OD2 ASP A1216 0.869 -10.477 -1.523 1.00 0.00 O ATOM 0 H ASP A1216 -0.678 -7.257 2.231 1.00 0.00 H new ATOM 0 HA ASP A1216 0.023 -10.058 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.569 -9.148 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -0.095 -8.370 -0.619 1.00 0.00 H new ATOM 498 N ASN A1217 1.698 -7.637 0.474 1.00 0.00 N ATOM 499 CA ASN A1217 2.889 -6.790 0.500 1.00 0.00 C ATOM 500 C ASN A1217 2.805 -5.748 -0.607 1.00 0.00 C ATOM 501 O ASN A1217 3.787 -5.082 -0.911 1.00 0.00 O ATOM 502 CB ASN A1217 4.181 -7.626 0.362 1.00 0.00 C ATOM 503 CG ASN A1217 4.479 -8.071 -1.064 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.596 -8.535 -1.784 1.00 0.00 O ATOM 505 ND2 ASN A1217 5.729 -7.939 -1.479 1.00 0.00 N ATOM 0 H ASN A1217 1.170 -7.586 -0.397 1.00 0.00 H new ATOM 0 HA ASN A1217 2.928 -6.285 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A1217 5.022 -7.040 0.733 1.00 0.00 H new ATOM 0 HB3 ASN A1217 4.101 -8.508 0.998 1.00 0.00 H new ATOM 0 HD21 ASN A1217 5.986 -8.226 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A1217 6.435 -7.550 -0.854 1.00 0.00 H new ATOM 512 N SER A1218 1.595 -5.584 -1.154 1.00 0.00 N ATOM 513 CA SER A1218 1.342 -4.788 -2.360 1.00 0.00 C ATOM 514 C SER A1218 1.866 -3.355 -2.261 1.00 0.00 C ATOM 515 O SER A1218 2.350 -2.798 -3.250 1.00 0.00 O ATOM 516 CB SER A1218 -0.160 -4.777 -2.630 1.00 0.00 C ATOM 517 OG SER A1218 -0.803 -5.842 -1.939 1.00 0.00 O ATOM 0 H SER A1218 0.752 -6.007 -0.765 1.00 0.00 H new ATOM 0 HA SER A1218 1.885 -5.253 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.584 -3.824 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A1218 -0.343 -4.869 -3.701 1.00 0.00 H new ATOM 0 HG SER A1218 -1.765 -5.817 -2.123 1.00 0.00 H new ATOM 523 N ASP A1219 1.787 -2.774 -1.066 1.00 0.00 N ATOM 524 CA ASP A1219 2.231 -1.397 -0.833 1.00 0.00 C ATOM 525 C ASP A1219 3.720 -1.222 -1.117 1.00 0.00 C ATOM 526 O ASP A1219 4.138 -0.191 -1.641 1.00 0.00 O ATOM 527 CB ASP A1219 1.921 -0.949 0.605 1.00 0.00 C ATOM 528 CG ASP A1219 2.245 -2.000 1.654 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.587 -3.068 1.659 1.00 0.00 O ATOM 530 OD2 ASP A1219 3.132 -1.768 2.478 1.00 0.00 O ATOM 0 H ASP A1219 1.417 -3.238 -0.236 1.00 0.00 H new ATOM 0 HA ASP A1219 1.675 -0.768 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.486 -0.043 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.864 -0.691 0.676 1.00 0.00 H new ATOM 535 N GLU A1220 4.506 -2.241 -0.801 1.00 0.00 N ATOM 536 CA GLU A1220 5.950 -2.165 -0.957 1.00 0.00 C ATOM 537 C GLU A1220 6.445 -3.103 -2.061 1.00 0.00 C ATOM 538 O GLU A1220 7.642 -3.170 -2.340 1.00 0.00 O ATOM 539 CB GLU A1220 6.629 -2.490 0.375 1.00 0.00 C ATOM 540 CG GLU A1220 7.349 -1.298 0.989 1.00 0.00 C ATOM 541 CD GLU A1220 6.450 -0.450 1.869 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.404 0.047 1.391 1.00 0.00 O ATOM 543 OE2 GLU A1220 6.786 -0.244 3.047 1.00 0.00 O ATOM 0 H GLU A1220 4.167 -3.131 -0.435 1.00 0.00 H new ATOM 0 HA GLU A1220 6.211 -1.149 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.880 -2.855 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.344 -3.299 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A1220 8.193 -1.655 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A1220 7.757 -0.677 0.192 1.00 0.00 H new ATOM 550 N ALA A1221 5.514 -3.812 -2.696 1.00 0.00 N ATOM 551 CA ALA A1221 5.844 -4.734 -3.781 1.00 0.00 C ATOM 552 C ALA A1221 6.131 -3.976 -5.067 1.00 0.00 C ATOM 553 O ALA A1221 6.933 -4.410 -5.892 1.00 0.00 O ATOM 554 CB ALA A1221 4.712 -5.728 -4.006 1.00 0.00 C ATOM 0 H ALA A1221 4.519 -3.765 -2.476 1.00 0.00 H new ATOM 0 HA ALA A1221 6.741 -5.282 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A1221 4.978 -6.405 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A1221 4.545 -6.302 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A1221 3.801 -5.189 -4.267 1.00 0.00 H new ATOM 560 N GLY A1222 5.467 -2.839 -5.228 1.00 0.00 N ATOM 561 CA GLY A1222 5.680 -2.014 -6.399 1.00 0.00 C ATOM 562 C GLY A1222 6.597 -0.851 -6.105 1.00 0.00 C ATOM 563 O GLY A1222 6.474 0.216 -6.704 1.00 0.00 O ATOM 0 H GLY A1222 4.783 -2.473 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A1222 6.106 -2.620 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A1222 4.722 -1.640 -6.759 1.00 0.00 H new ATOM 567 N CYS A1223 7.512 -1.057 -5.169 1.00 0.00 N ATOM 568 CA CYS A1223 8.457 -0.031 -4.774 1.00 0.00 C ATOM 569 C CYS A1223 9.833 -0.649 -4.551 1.00 0.00 C ATOM 570 O CYS A1223 9.958 -1.652 -3.848 1.00 0.00 O ATOM 571 CB CYS A1223 7.973 0.664 -3.497 1.00 0.00 C ATOM 572 SG CYS A1223 8.985 2.093 -2.983 1.00 0.00 S ATOM 0 H CYS A1223 7.618 -1.938 -4.666 1.00 0.00 H new ATOM 0 HA CYS A1223 8.530 0.711 -5.569 1.00 0.00 H new ATOM 0 HB2 CYS A1223 6.946 0.997 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A1223 7.957 -0.064 -2.686 1.00 0.00 H new ATOM 577 N PRO A1224 10.878 -0.077 -5.174 1.00 0.00 N ATOM 578 CA PRO A1224 12.258 -0.538 -4.986 1.00 0.00 C ATOM 579 C PRO A1224 12.767 -0.282 -3.568 1.00 0.00 C ATOM 580 O PRO A1224 12.253 0.589 -2.856 1.00 0.00 O ATOM 581 CB PRO A1224 13.057 0.291 -5.996 1.00 0.00 C ATOM 582 CG PRO A1224 12.223 1.500 -6.248 1.00 0.00 C ATOM 583 CD PRO A1224 10.796 1.053 -6.116 1.00 0.00 C ATOM 0 HA PRO A1224 12.348 -1.614 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A1224 14.035 0.562 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A1224 13.231 -0.268 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A1224 12.453 2.289 -5.532 1.00 0.00 H new ATOM 0 HG3 PRO A1224 12.414 1.906 -7.241 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.159 1.850 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A1224 10.380 0.747 -7.076 1.00 0.00 H new ATOM 591 N THR A1225 13.777 -1.041 -3.167 1.00 0.00 N ATOM 592 CA THR A1225 14.369 -0.912 -1.845 1.00 0.00 C ATOM 593 C THR A1225 15.074 0.433 -1.684 1.00 0.00 C ATOM 594 O THR A1225 15.729 0.917 -2.611 1.00 0.00 O ATOM 595 CB THR A1225 15.373 -2.048 -1.598 1.00 0.00 C ATOM 596 OG1 THR A1225 15.188 -3.074 -2.585 1.00 0.00 O ATOM 597 CG2 THR A1225 15.197 -2.637 -0.210 1.00 0.00 C ATOM 0 H THR A1225 14.207 -1.761 -3.747 1.00 0.00 H new ATOM 0 HA THR A1225 13.563 -0.972 -1.113 1.00 0.00 H new ATOM 0 HB THR A1225 16.381 -1.640 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A1225 15.830 -3.798 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A1225 15.920 -3.439 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A1225 15.357 -1.860 0.538 1.00 0.00 H new ATOM 0 HG23 THR A1225 14.187 -3.035 -0.109 1.00 0.00 H new ATOM 605 N ARG A1226 14.918 1.042 -0.516 1.00 0.00 N ATOM 606 CA ARG A1226 15.531 2.332 -0.245 1.00 0.00 C ATOM 607 C ARG A1226 16.989 2.153 0.180 1.00 0.00 C ATOM 608 O ARG A1226 17.312 1.241 0.947 1.00 0.00 O ATOM 609 CB ARG A1226 14.739 3.098 0.826 1.00 0.00 C ATOM 610 CG ARG A1226 14.654 2.391 2.172 1.00 0.00 C ATOM 611 CD ARG A1226 14.754 3.377 3.324 1.00 0.00 C ATOM 612 NE ARG A1226 13.494 4.077 3.557 1.00 0.00 N ATOM 613 CZ ARG A1226 12.617 3.751 4.508 1.00 0.00 C ATOM 614 NH1 ARG A1226 12.890 2.780 5.373 1.00 0.00 N ATOM 615 NH2 ARG A1226 11.475 4.414 4.606 1.00 0.00 N ATOM 0 H ARG A1226 14.372 0.662 0.257 1.00 0.00 H new ATOM 0 HA ARG A1226 15.512 2.921 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A1226 15.199 4.075 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A1226 13.728 3.273 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A1226 13.713 1.845 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A1226 15.455 1.656 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A1226 15.047 2.847 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A1226 15.538 4.104 3.112 1.00 0.00 H new ATOM 0 HE ARG A1226 13.269 4.867 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A1226 13.776 2.278 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A1226 12.214 2.537 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A1226 11.268 5.172 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A1226 10.803 4.167 5.332 1.00 0.00 H new ATOM 629 N PRO A1227 17.887 3.012 -0.332 1.00 0.00 N ATOM 630 CA PRO A1227 19.317 2.951 -0.010 1.00 0.00 C ATOM 631 C PRO A1227 19.597 3.255 1.463 1.00 0.00 C ATOM 632 O PRO A1227 18.873 4.024 2.094 1.00 0.00 O ATOM 633 CB PRO A1227 19.938 4.026 -0.910 1.00 0.00 C ATOM 634 CG PRO A1227 18.820 4.955 -1.234 1.00 0.00 C ATOM 635 CD PRO A1227 17.583 4.107 -1.277 1.00 0.00 C ATOM 0 HA PRO A1227 19.726 1.954 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A1227 20.748 4.547 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A1227 20.360 3.587 -1.814 1.00 0.00 H new ATOM 0 HG2 PRO A1227 18.731 5.738 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A1227 18.988 5.450 -2.190 1.00 0.00 H new ATOM 0 HD2 PRO A1227 16.700 4.668 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A1227 17.389 3.729 -2.281 1.00 0.00 H new ATOM 643 N PRO A1228 20.631 2.620 2.042 1.00 0.00 N ATOM 644 CA PRO A1228 21.030 2.856 3.433 1.00 0.00 C ATOM 645 C PRO A1228 21.685 4.225 3.619 1.00 0.00 C ATOM 646 O PRO A1228 22.829 4.439 3.211 1.00 0.00 O ATOM 647 CB PRO A1228 22.040 1.734 3.723 1.00 0.00 C ATOM 648 CG PRO A1228 21.946 0.793 2.567 1.00 0.00 C ATOM 649 CD PRO A1228 21.481 1.609 1.403 1.00 0.00 C ATOM 0 HA PRO A1228 20.173 2.851 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A1228 23.050 2.133 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A1228 21.804 1.228 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A1228 22.912 0.333 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A1228 21.247 -0.016 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A1228 22.315 2.061 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A1228 20.925 1.008 0.683 1.00 0.00 H new ATOM 657 N GLY A1229 20.951 5.148 4.223 1.00 0.00 N ATOM 658 CA GLY A1229 21.466 6.483 4.449 1.00 0.00 C ATOM 659 C GLY A1229 20.361 7.513 4.437 1.00 0.00 C ATOM 660 O GLY A1229 19.178 7.114 4.462 1.00 0.00 O ATOM 661 OXT GLY A1229 20.664 8.722 4.407 1.00 0.00 O ATOM 0 H GLY A1229 20.002 4.995 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A1229 21.985 6.516 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A1229 22.199 6.726 3.680 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.860 0.381 3.550 1.00 0.00 CA