USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 343 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: A1172 ASN : amide:sc= -0.82 K(o=-2.5,f=-11!) USER MOD Set 1.2: A1185 LYS NZ :NH3+ -116:sc= 0.00408 (180deg=-0.55) USER MOD Set 1.3: A1187 GLN : amide:sc= -0.865 K(o=-2.5,f=-8.5!) USER MOD Set 1.4: A1193 LYS NZ :NH3+ 177:sc= -0.815 (180deg=-0.823) USER MOD Set 2.1: A1167 CYS SG : rot -72:sc= 0.379 USER MOD Set 2.2: A1170 CYS SG : rot -62:sc= -1.74! USER MOD Set 2.3: A1173 CYS SG : rot -42:sc= -3.96! USER MOD Set 2.4: A1176 LYS NZ :NH3+ -150:sc= 0.312 (180deg=0.0793) USER MOD Set 2.5: A1189 CYS SG : rot -150:sc= 0.627 USER MOD Set 3.1: A1155 CYS SG : rot -66:sc= -2.42! USER MOD Set 3.2: A1158 CYS SG : rot -68:sc= 1.28 USER MOD Set 3.3: A1161 CYS SG : rot 40:sc= -2.12 USER MOD Set 3.4: A1194 CYS SG : rot 81:sc= 0.182 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -0.91 X(o=-0.91,f=-0.92) USER MOD Single : A1171 THR OG1 : rot -172:sc= -2.66! USER MOD Single : A1178 LYS NZ :NH3+ 167:sc= -0.0416 (180deg=-0.291) USER MOD Single : A1183 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.31) USER MOD Single : A1186 LYS NZ :NH3+ 170:sc= 0.141 (180deg=0.113) USER MOD Single : A1188 CYS SG : rot 180:sc= -0.187 USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -123:sc= -0.07 (180deg=-1.89!) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A1196 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.548 2.811 -13.239 1.00 33.42 N ATOM 112 CA ARG A1153 -7.720 3.506 -12.723 1.00 41.43 C ATOM 113 C ARG A1153 -8.735 2.520 -12.155 1.00 11.15 C ATOM 114 O ARG A1153 -9.028 1.497 -12.777 1.00 31.14 O ATOM 115 CB ARG A1153 -8.382 4.309 -13.847 1.00 14.30 C ATOM 116 CG ARG A1153 -8.002 5.780 -13.858 1.00 73.14 C ATOM 117 CD ARG A1153 -6.916 6.067 -14.881 1.00 1.24 C ATOM 118 NE ARG A1153 -6.311 7.386 -14.695 1.00 23.40 N ATOM 119 CZ ARG A1153 -5.365 7.657 -13.791 1.00 2.31 C ATOM 120 NH1 ARG A1153 -4.912 6.706 -12.978 1.00 44.11 N ATOM 121 NH2 ARG A1153 -4.867 8.887 -13.701 1.00 74.32 N ATOM 0 HA ARG A1153 -7.393 4.174 -11.926 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -8.110 3.866 -14.805 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -9.465 4.224 -13.752 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -8.882 6.383 -14.082 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -7.657 6.075 -12.867 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.143 5.302 -14.811 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.338 6.002 -15.884 1.00 1.24 H new ATOM 0 HE ARG A1153 -6.632 8.147 -15.293 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -5.287 5.760 -13.041 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -4.190 6.923 -12.291 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -5.207 9.622 -14.321 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -4.145 9.096 -13.012 1.00 74.32 H new ATOM 135 N ARG A1154 -9.280 2.835 -10.983 1.00 52.40 N ATOM 136 CA ARG A1154 -10.275 1.975 -10.346 1.00 62.14 C ATOM 137 C ARG A1154 -11.511 1.851 -11.242 1.00 30.30 C ATOM 138 O ARG A1154 -11.963 2.843 -11.819 1.00 74.42 O ATOM 139 CB ARG A1154 -10.676 2.560 -8.988 1.00 45.41 C ATOM 140 CG ARG A1154 -9.923 1.957 -7.812 1.00 23.13 C ATOM 141 CD ARG A1154 -8.425 2.200 -7.914 1.00 3.20 C ATOM 142 NE ARG A1154 -7.832 2.524 -6.617 1.00 15.22 N ATOM 143 CZ ARG A1154 -7.853 3.740 -6.063 1.00 23.13 C ATOM 144 NH1 ARG A1154 -8.446 4.758 -6.684 1.00 2.55 N ATOM 145 NH2 ARG A1154 -7.280 3.938 -4.883 1.00 40.44 N ATOM 0 H ARG A1154 -9.051 3.677 -10.456 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.843 0.985 -10.196 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -10.506 3.637 -9.002 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -11.745 2.408 -8.839 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.298 2.385 -6.883 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -10.115 0.885 -7.769 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -7.941 1.313 -8.322 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -8.237 3.016 -8.612 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.373 1.773 -6.102 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -8.890 4.613 -7.591 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -8.457 5.682 -6.253 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -6.825 3.163 -4.401 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -7.295 4.865 -4.458 1.00 40.44 H new ATOM 159 N CYS A1155 -12.051 0.635 -11.369 1.00 23.05 N ATOM 160 CA CYS A1155 -13.227 0.393 -12.209 1.00 1.11 C ATOM 161 C CYS A1155 -14.454 1.162 -11.719 1.00 10.20 C ATOM 162 O CYS A1155 -15.174 1.758 -12.522 1.00 75.34 O ATOM 163 CB CYS A1155 -13.544 -1.103 -12.279 1.00 33.23 C ATOM 164 SG CYS A1155 -13.724 -1.909 -10.676 1.00 53.42 S ATOM 0 H CYS A1155 -11.692 -0.197 -10.901 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.983 0.757 -13.207 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.466 -1.239 -12.845 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.751 -1.603 -12.835 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.580 -1.906 -10.058 1.00 53.42 H new ATOM 169 N GLY A1156 -14.692 1.146 -10.404 1.00 23.42 N ATOM 170 CA GLY A1156 -15.836 1.848 -9.845 1.00 72.43 C ATOM 171 C GLY A1156 -17.048 0.950 -9.616 1.00 43.32 C ATOM 172 O GLY A1156 -18.056 1.405 -9.072 1.00 3.12 O ATOM 0 H GLY A1156 -14.112 0.660 -9.720 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.546 2.302 -8.898 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -16.117 2.660 -10.515 1.00 72.43 H new ATOM 176 N GLN A1157 -16.965 -0.318 -10.037 1.00 34.13 N ATOM 177 CA GLN A1157 -18.083 -1.255 -9.874 1.00 5.23 C ATOM 178 C GLN A1157 -17.721 -2.471 -9.006 1.00 54.32 C ATOM 179 O GLN A1157 -18.613 -3.189 -8.554 1.00 24.22 O ATOM 180 CB GLN A1157 -18.581 -1.725 -11.245 1.00 1.14 C ATOM 181 CG GLN A1157 -20.095 -1.691 -11.391 1.00 4.15 C ATOM 182 CD GLN A1157 -20.769 -2.921 -10.810 1.00 45.04 C ATOM 183 OE1 GLN A1157 -20.737 -3.999 -11.404 1.00 51.54 O ATOM 184 NE2 GLN A1157 -21.385 -2.768 -9.642 1.00 12.22 N ATOM 0 H GLN A1157 -16.142 -0.716 -10.490 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.874 -0.714 -9.355 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.136 -1.098 -12.018 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -18.231 -2.742 -11.420 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.483 -0.801 -10.896 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -20.352 -1.606 -12.447 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -21.388 -1.857 -9.183 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -21.854 -3.561 -9.205 1.00 12.22 H new ATOM 193 N CYS A1158 -16.427 -2.707 -8.777 1.00 21.34 N ATOM 194 CA CYS A1158 -15.996 -3.847 -7.964 1.00 11.34 C ATOM 195 C CYS A1158 -16.240 -3.592 -6.475 1.00 1.24 C ATOM 196 O CYS A1158 -16.299 -2.442 -6.034 1.00 10.22 O ATOM 197 CB CYS A1158 -14.517 -4.163 -8.215 1.00 53.42 C ATOM 198 SG CYS A1158 -13.365 -3.017 -7.423 1.00 41.45 S ATOM 0 H CYS A1158 -15.667 -2.131 -9.138 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.593 -4.709 -8.261 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.308 -5.172 -7.860 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.334 -4.159 -9.290 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.452 -1.852 -7.993 1.00 41.45 H new ATOM 203 N PRO A1159 -16.396 -4.671 -5.678 1.00 13.34 N ATOM 204 CA PRO A1159 -16.648 -4.571 -4.230 1.00 52.32 C ATOM 205 C PRO A1159 -15.536 -3.841 -3.472 1.00 10.44 C ATOM 206 O PRO A1159 -15.797 -3.181 -2.466 1.00 34.34 O ATOM 207 CB PRO A1159 -16.742 -6.031 -3.771 1.00 33.14 C ATOM 208 CG PRO A1159 -17.034 -6.808 -5.008 1.00 53.42 C ATOM 209 CD PRO A1159 -16.351 -6.074 -6.126 1.00 42.13 C ATOM 0 HA PRO A1159 -17.546 -3.987 -4.028 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.811 -6.360 -3.309 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.529 -6.161 -3.029 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.661 -7.829 -4.925 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.108 -6.875 -5.183 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.327 -6.419 -6.269 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.869 -6.211 -7.075 1.00 42.13 H new ATOM 217 N GLY A1160 -14.302 -3.941 -3.976 1.00 75.21 N ATOM 218 CA GLY A1160 -13.182 -3.259 -3.345 1.00 43.32 C ATOM 219 C GLY A1160 -13.265 -1.753 -3.537 1.00 4.10 C ATOM 220 O GLY A1160 -12.900 -0.983 -2.646 1.00 54.55 O ATOM 0 H GLY A1160 -14.061 -4.481 -4.807 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.167 -3.491 -2.280 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.247 -3.629 -3.765 1.00 43.32 H new ATOM 224 N CYS A1161 -13.771 -1.340 -4.704 1.00 41.14 N ATOM 225 CA CYS A1161 -13.942 0.072 -5.037 1.00 54.42 C ATOM 226 C CYS A1161 -15.078 0.698 -4.224 1.00 32.30 C ATOM 227 O CYS A1161 -15.138 1.918 -4.066 1.00 53.41 O ATOM 228 CB CYS A1161 -14.215 0.244 -6.534 1.00 63.34 C ATOM 229 SG CYS A1161 -12.724 0.414 -7.539 1.00 42.02 S ATOM 0 H CYS A1161 -14.072 -1.977 -5.441 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.015 0.586 -4.785 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.784 -0.615 -6.890 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.841 1.124 -6.680 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.811 -0.401 -7.102 1.00 42.02 H new ATOM 234 N GLN A1162 -15.982 -0.147 -3.715 1.00 33.23 N ATOM 235 CA GLN A1162 -17.120 0.313 -2.925 1.00 41.33 C ATOM 236 C GLN A1162 -16.709 0.669 -1.496 1.00 43.34 C ATOM 237 O GLN A1162 -17.438 1.393 -0.818 1.00 22.15 O ATOM 238 CB GLN A1162 -18.215 -0.758 -2.897 1.00 63.42 C ATOM 239 CG GLN A1162 -18.948 -0.918 -4.220 1.00 70.05 C ATOM 240 CD GLN A1162 -19.458 -2.331 -4.441 1.00 21.00 C ATOM 241 OE1 GLN A1162 -20.000 -2.959 -3.531 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.288 -2.841 -5.657 1.00 3.02 N ATOM 0 H GLN A1162 -15.943 -1.159 -3.840 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.505 1.215 -3.400 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.769 -1.714 -2.621 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -18.937 -0.507 -2.120 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.788 -0.224 -4.251 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.279 -0.646 -5.036 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -18.834 -2.287 -6.383 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.612 -3.786 -5.864 1.00 3.02 H new ATOM 251 N VAL A1163 -15.536 0.209 -1.045 1.00 50.22 N ATOM 252 CA VAL A1163 -15.059 0.556 0.292 1.00 63.43 C ATOM 253 C VAL A1163 -14.524 1.991 0.256 1.00 1.44 C ATOM 254 O VAL A1163 -13.532 2.272 -0.419 1.00 23.11 O ATOM 255 CB VAL A1163 -13.981 -0.434 0.799 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.248 0.109 2.018 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.609 -1.783 1.111 1.00 45.33 C ATOM 0 H VAL A1163 -14.911 -0.395 -1.579 1.00 50.22 H new ATOM 0 HA VAL A1163 -15.888 0.487 0.997 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.246 -0.561 0.004 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.500 -0.613 2.344 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -12.758 1.048 1.760 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -13.961 0.282 2.824 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.840 -2.469 1.466 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.370 -1.661 1.882 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.068 -2.188 0.209 1.00 45.33 H new ATOM 267 N PRO A1164 -15.211 2.932 0.938 1.00 71.44 N ATOM 268 CA PRO A1164 -14.835 4.352 0.930 1.00 13.33 C ATOM 269 C PRO A1164 -13.751 4.744 1.936 1.00 5.30 C ATOM 270 O PRO A1164 -13.229 5.859 1.868 1.00 5.32 O ATOM 271 CB PRO A1164 -16.152 5.040 1.283 1.00 15.33 C ATOM 272 CG PRO A1164 -16.845 4.077 2.184 1.00 1.11 C ATOM 273 CD PRO A1164 -16.441 2.699 1.726 1.00 3.53 C ATOM 0 HA PRO A1164 -14.396 4.631 -0.028 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -15.980 5.995 1.779 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -16.744 5.246 0.391 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.557 4.241 3.222 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -17.926 4.203 2.129 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.255 2.036 2.571 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.220 2.234 1.122 1.00 3.53 H new ATOM 281 N GLU A1165 -13.418 3.858 2.875 1.00 65.22 N ATOM 282 CA GLU A1165 -12.405 4.186 3.875 1.00 11.42 C ATOM 283 C GLU A1165 -11.574 2.975 4.284 1.00 40.05 C ATOM 284 O GLU A1165 -12.059 1.842 4.300 1.00 72.02 O ATOM 285 CB GLU A1165 -13.058 4.800 5.112 1.00 54.32 C ATOM 286 CG GLU A1165 -14.132 3.921 5.718 1.00 74.44 C ATOM 287 CD GLU A1165 -13.677 3.227 6.988 1.00 4.32 C ATOM 288 OE1 GLU A1165 -13.598 3.898 8.038 1.00 55.43 O ATOM 289 OE2 GLU A1165 -13.400 2.009 6.933 1.00 4.11 O ATOM 0 H GLU A1165 -13.825 2.927 2.963 1.00 65.22 H new ATOM 0 HA GLU A1165 -11.731 4.908 3.414 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.291 4.994 5.861 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.493 5.763 4.845 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -15.011 4.527 5.936 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.435 3.170 4.988 1.00 74.44 H new ATOM 296 N ASP A1166 -10.317 3.246 4.636 1.00 52.42 N ATOM 297 CA ASP A1166 -9.384 2.219 5.082 1.00 54.32 C ATOM 298 C ASP A1166 -9.949 1.468 6.285 1.00 24.20 C ATOM 299 O ASP A1166 -10.392 2.081 7.259 1.00 4.45 O ATOM 300 CB ASP A1166 -8.042 2.858 5.461 1.00 42.32 C ATOM 301 CG ASP A1166 -7.422 3.647 4.323 1.00 32.30 C ATOM 302 OD1 ASP A1166 -7.731 4.850 4.197 1.00 1.41 O ATOM 303 OD2 ASP A1166 -6.626 3.064 3.559 1.00 11.20 O ATOM 0 H ASP A1166 -9.920 4.185 4.619 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.232 1.514 4.265 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -8.188 3.517 6.317 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.349 2.077 5.775 1.00 42.32 H new ATOM 308 N CYS A1167 -9.923 0.138 6.211 1.00 33.35 N ATOM 309 CA CYS A1167 -10.424 -0.705 7.297 1.00 12.51 C ATOM 310 C CYS A1167 -9.669 -0.434 8.600 1.00 3.00 C ATOM 311 O CYS A1167 -10.255 -0.448 9.684 1.00 75.13 O ATOM 312 CB CYS A1167 -10.341 -2.188 6.924 1.00 20.21 C ATOM 313 SG CYS A1167 -8.674 -2.775 6.553 1.00 63.11 S ATOM 0 H CYS A1167 -9.560 -0.380 5.410 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.472 -0.452 7.455 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.746 -2.779 7.745 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.977 -2.368 6.057 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.293 -2.302 5.404 1.00 63.11 H new ATOM 318 N GLY A1168 -8.364 -0.168 8.473 1.00 61.35 N ATOM 319 CA GLY A1168 -7.534 0.128 9.629 1.00 61.11 C ATOM 320 C GLY A1168 -6.959 -1.099 10.323 1.00 41.43 C ATOM 321 O GLY A1168 -6.207 -0.956 11.288 1.00 11.55 O ATOM 0 H GLY A1168 -7.868 -0.153 7.582 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.712 0.771 9.315 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.125 0.694 10.349 1.00 61.11 H new ATOM 325 N VAL A1169 -7.311 -2.302 9.858 1.00 5.14 N ATOM 326 CA VAL A1169 -6.812 -3.527 10.485 1.00 10.32 C ATOM 327 C VAL A1169 -5.925 -4.367 9.554 1.00 1.33 C ATOM 328 O VAL A1169 -5.155 -5.205 10.025 1.00 0.21 O ATOM 329 CB VAL A1169 -7.967 -4.407 11.014 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.655 -3.735 12.193 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.968 -4.715 9.908 1.00 34.30 C ATOM 0 H VAL A1169 -7.930 -2.452 9.061 1.00 5.14 H new ATOM 0 HA VAL A1169 -6.196 -3.190 11.319 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.544 -5.351 11.357 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.465 -4.370 12.552 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.933 -3.580 12.995 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -9.060 -2.773 11.878 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.771 -5.336 10.306 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.385 -3.784 9.525 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.465 -5.247 9.100 1.00 34.30 H new ATOM 341 N CYS A1170 -6.031 -4.143 8.238 1.00 31.54 N ATOM 342 CA CYS A1170 -5.236 -4.880 7.261 1.00 20.33 C ATOM 343 C CYS A1170 -3.784 -4.407 7.270 1.00 31.20 C ATOM 344 O CYS A1170 -3.491 -3.275 7.656 1.00 41.54 O ATOM 345 CB CYS A1170 -5.839 -4.721 5.865 1.00 20.04 C ATOM 346 SG CYS A1170 -5.459 -3.145 5.076 1.00 33.30 S ATOM 0 H CYS A1170 -6.663 -3.454 7.830 1.00 31.54 H new ATOM 0 HA CYS A1170 -5.249 -5.935 7.534 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.477 -5.530 5.230 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.921 -4.829 5.934 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.961 -2.175 5.781 1.00 33.30 H new ATOM 351 N THR A1171 -2.884 -5.289 6.848 1.00 13.53 N ATOM 352 CA THR A1171 -1.444 -4.981 6.816 1.00 51.14 C ATOM 353 C THR A1171 -1.113 -3.759 5.952 1.00 25.34 C ATOM 354 O THR A1171 -0.122 -3.077 6.209 1.00 45.43 O ATOM 355 CB THR A1171 -0.620 -6.184 6.338 1.00 43.21 C ATOM 356 OG1 THR A1171 0.763 -5.881 6.342 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.989 -6.662 4.952 1.00 25.44 C ATOM 0 H THR A1171 -3.119 -6.226 6.521 1.00 13.53 H new ATOM 0 HA THR A1171 -1.173 -4.745 7.845 1.00 51.14 H new ATOM 0 HB THR A1171 -0.849 -6.983 7.044 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.259 -6.612 5.917 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.365 -7.514 4.683 1.00 25.44 H new ATOM 0 HG22 THR A1171 -2.037 -6.961 4.937 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.831 -5.856 4.235 1.00 25.44 H new ATOM 365 N ASN A1172 -1.930 -3.484 4.933 1.00 64.24 N ATOM 366 CA ASN A1172 -1.679 -2.339 4.058 1.00 51.03 C ATOM 367 C ASN A1172 -1.932 -1.041 4.819 1.00 13.52 C ATOM 368 O ASN A1172 -1.138 -0.102 4.746 1.00 4.51 O ATOM 369 CB ASN A1172 -2.580 -2.398 2.816 1.00 22.23 C ATOM 370 CG ASN A1172 -2.257 -3.569 1.902 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.764 -4.605 2.345 1.00 70.45 O ATOM 372 ND2 ASN A1172 -2.540 -3.413 0.613 1.00 72.54 N ATOM 0 H ASN A1172 -2.759 -4.030 4.696 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.639 -2.372 3.734 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.621 -2.468 3.132 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.478 -1.468 2.256 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -2.349 -4.168 -0.046 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.949 -2.539 0.283 1.00 72.54 H new ATOM 379 N CYS A1173 -3.027 -1.017 5.572 1.00 72.10 N ATOM 380 CA CYS A1173 -3.392 0.135 6.384 1.00 51.15 C ATOM 381 C CYS A1173 -2.426 0.300 7.552 1.00 32.02 C ATOM 382 O CYS A1173 -1.950 1.404 7.814 1.00 1.11 O ATOM 383 CB CYS A1173 -4.815 -0.025 6.925 1.00 10.14 C ATOM 384 SG CYS A1173 -6.108 0.206 5.685 1.00 43.23 S ATOM 0 H CYS A1173 -3.684 -1.795 5.635 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.341 1.021 5.752 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -4.917 -1.020 7.359 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -4.968 0.692 7.731 1.00 10.14 H new ATOM 0 HG CYS A1173 -5.808 1.220 4.929 1.00 43.23 H new ATOM 389 N LEU A1174 -2.129 -0.802 8.247 1.00 55.10 N ATOM 390 CA LEU A1174 -1.210 -0.765 9.384 1.00 75.13 C ATOM 391 C LEU A1174 0.173 -0.271 8.971 1.00 24.23 C ATOM 392 O LEU A1174 0.841 0.425 9.734 1.00 21.32 O ATOM 393 CB LEU A1174 -1.100 -2.143 10.035 1.00 12.24 C ATOM 394 CG LEU A1174 -2.430 -2.765 10.450 1.00 14.22 C ATOM 395 CD1 LEU A1174 -2.240 -4.219 10.853 1.00 44.35 C ATOM 396 CD2 LEU A1174 -3.051 -1.962 11.581 1.00 44.31 C ATOM 0 H LEU A1174 -2.510 -1.726 8.042 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.618 -0.061 10.110 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.601 -2.818 9.340 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.462 -2.063 10.915 1.00 12.24 H new ATOM 0 HG LEU A1174 -3.110 -2.742 9.598 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -3.200 -4.644 11.145 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.836 -4.780 10.010 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.547 -4.276 11.692 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -4.000 -2.414 11.870 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.376 -1.957 12.437 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.223 -0.938 11.249 1.00 44.31 H new ATOM 408 N ASP A1175 0.592 -0.635 7.759 1.00 70.13 N ATOM 409 CA ASP A1175 1.896 -0.224 7.247 1.00 70.13 C ATOM 410 C ASP A1175 1.929 1.278 6.975 1.00 61.50 C ATOM 411 O ASP A1175 2.984 1.905 7.061 1.00 5.34 O ATOM 412 CB ASP A1175 2.251 -1.002 5.980 1.00 65.04 C ATOM 413 CG ASP A1175 3.112 -2.220 6.266 1.00 40.44 C ATOM 414 OD1 ASP A1175 2.684 -3.078 7.069 1.00 32.31 O ATOM 415 OD2 ASP A1175 4.211 -2.318 5.685 1.00 22.11 O ATOM 0 H ASP A1175 0.048 -1.212 7.117 1.00 70.13 H new ATOM 0 HA ASP A1175 2.640 -0.449 8.011 1.00 70.13 H new ATOM 0 HB2 ASP A1175 1.334 -1.318 5.483 1.00 65.04 H new ATOM 0 HB3 ASP A1175 2.777 -0.344 5.289 1.00 65.04 H new ATOM 420 N LYS A1176 0.760 1.855 6.676 1.00 62.33 N ATOM 421 CA LYS A1176 0.648 3.287 6.426 1.00 41.01 C ATOM 422 C LYS A1176 0.859 4.062 7.725 1.00 53.14 C ATOM 423 O LYS A1176 0.535 3.567 8.807 1.00 31.05 O ATOM 424 CB LYS A1176 -0.723 3.619 5.827 1.00 50.13 C ATOM 425 CG LYS A1176 -0.862 3.206 4.371 1.00 60.51 C ATOM 426 CD LYS A1176 -2.089 3.828 3.723 1.00 3.32 C ATOM 427 CE LYS A1176 -3.345 3.015 4.002 1.00 44.32 C ATOM 428 NZ LYS A1176 -3.421 1.791 3.157 1.00 42.40 N ATOM 0 H LYS A1176 -0.121 1.346 6.602 1.00 62.33 H new ATOM 0 HA LYS A1176 1.417 3.579 5.711 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.497 3.123 6.413 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -0.898 4.692 5.911 1.00 50.13 H new ATOM 0 HG2 LYS A1176 0.031 3.505 3.821 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.927 2.120 4.306 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -2.222 4.844 4.096 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -1.934 3.901 2.647 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -3.365 2.730 5.054 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -4.224 3.634 3.822 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -4.418 1.553 2.980 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -2.940 1.964 2.251 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -2.959 1.000 3.649 1.00 42.40 H new ATOM 442 N PRO A1177 1.412 5.284 7.641 1.00 43.21 N ATOM 443 CA PRO A1177 1.677 6.119 8.821 1.00 21.41 C ATOM 444 C PRO A1177 0.423 6.427 9.646 1.00 70.01 C ATOM 445 O PRO A1177 0.471 6.422 10.877 1.00 21.51 O ATOM 446 CB PRO A1177 2.266 7.410 8.234 1.00 41.24 C ATOM 447 CG PRO A1177 1.895 7.392 6.788 1.00 60.34 C ATOM 448 CD PRO A1177 1.835 5.945 6.395 1.00 32.13 C ATOM 0 HA PRO A1177 2.341 5.608 9.519 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.860 8.290 8.733 1.00 41.24 H new ATOM 0 HB3 PRO A1177 3.348 7.442 8.362 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.934 7.881 6.625 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.631 7.929 6.190 1.00 60.34 H new ATOM 0 HD2 PRO A1177 1.125 5.775 5.586 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.803 5.579 6.052 1.00 32.13 H new ATOM 456 N LYS A1178 -0.690 6.716 8.961 1.00 31.54 N ATOM 457 CA LYS A1178 -1.958 7.053 9.622 1.00 31.40 C ATOM 458 C LYS A1178 -2.427 5.980 10.617 1.00 61.44 C ATOM 459 O LYS A1178 -3.207 6.277 11.524 1.00 21.41 O ATOM 460 CB LYS A1178 -3.058 7.300 8.583 1.00 41.11 C ATOM 461 CG LYS A1178 -2.674 8.296 7.498 1.00 75.34 C ATOM 462 CD LYS A1178 -2.777 7.677 6.111 1.00 3.54 C ATOM 463 CE LYS A1178 -4.222 7.383 5.735 1.00 41.41 C ATOM 464 NZ LYS A1178 -4.368 6.058 5.069 1.00 34.11 N ATOM 0 H LYS A1178 -0.738 6.723 7.942 1.00 31.54 H new ATOM 0 HA LYS A1178 -1.769 7.963 10.192 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -3.320 6.351 8.114 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.951 7.661 9.093 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.324 9.169 7.557 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -1.655 8.645 7.667 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -2.340 8.353 5.377 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -2.197 6.754 6.080 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -4.842 7.408 6.631 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -4.590 8.165 5.071 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -5.374 5.799 5.028 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -3.985 6.111 4.104 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -3.847 5.338 5.610 1.00 34.11 H new ATOM 478 N PHE A1179 -1.963 4.739 10.445 1.00 11.35 N ATOM 479 CA PHE A1179 -2.352 3.638 11.330 1.00 74.35 C ATOM 480 C PHE A1179 -1.196 3.186 12.228 1.00 71.33 C ATOM 481 O PHE A1179 -1.258 2.112 12.833 1.00 74.31 O ATOM 482 CB PHE A1179 -2.885 2.474 10.496 1.00 0.15 C ATOM 483 CG PHE A1179 -4.157 2.820 9.769 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.377 2.767 10.424 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.132 3.216 8.440 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.545 3.099 9.769 1.00 13.33 C ATOM 487 CE2 PHE A1179 -5.298 3.546 7.780 1.00 71.30 C ATOM 488 CZ PHE A1179 -6.507 3.489 8.444 1.00 40.42 C ATOM 0 H PHE A1179 -1.318 4.472 9.701 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.140 3.997 11.992 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.127 2.173 9.773 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -3.063 1.617 11.146 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.414 2.462 11.459 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.189 3.267 7.916 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.489 3.054 10.292 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -5.265 3.849 6.744 1.00 71.30 H new ATOM 0 HZ PHE A1179 -7.420 3.748 7.929 1.00 40.42 H new ATOM 498 N GLY A1180 -0.153 4.017 12.332 1.00 52.42 N ATOM 499 CA GLY A1180 0.984 3.693 13.179 1.00 4.40 C ATOM 500 C GLY A1180 2.154 3.073 12.431 1.00 41.34 C ATOM 501 O GLY A1180 3.215 2.856 13.022 1.00 12.42 O ATOM 0 H GLY A1180 -0.079 4.909 11.843 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.324 4.601 13.677 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.659 3.005 13.959 1.00 4.40 H new ATOM 505 N GLY A1181 1.973 2.783 11.141 1.00 31.22 N ATOM 506 CA GLY A1181 3.037 2.187 10.361 1.00 64.50 C ATOM 507 C GLY A1181 4.149 3.162 10.038 1.00 12.03 C ATOM 508 O GLY A1181 4.070 4.346 10.372 1.00 23.53 O ATOM 0 H GLY A1181 1.108 2.952 10.628 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.451 1.340 10.908 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.623 1.795 9.432 1.00 64.50 H new ATOM 512 N ARG A1182 5.183 2.656 9.381 1.00 74.12 N ATOM 513 CA ARG A1182 6.328 3.476 8.997 1.00 3.32 C ATOM 514 C ARG A1182 6.320 3.783 7.496 1.00 71.10 C ATOM 515 O ARG A1182 7.327 4.249 6.956 1.00 62.21 O ATOM 516 CB ARG A1182 7.647 2.784 9.378 1.00 0.14 C ATOM 517 CG ARG A1182 7.548 1.856 10.583 1.00 43.10 C ATOM 518 CD ARG A1182 7.264 0.418 10.164 1.00 64.42 C ATOM 519 NE ARG A1182 5.948 -0.040 10.618 1.00 41.53 N ATOM 520 CZ ARG A1182 5.145 -0.844 9.911 1.00 41.12 C ATOM 521 NH1 ARG A1182 5.519 -1.303 8.718 1.00 53.13 N ATOM 522 NH2 ARG A1182 3.960 -1.195 10.403 1.00 71.21 N ATOM 0 H ARG A1182 5.254 1.678 9.101 1.00 74.12 H new ATOM 0 HA ARG A1182 6.249 4.417 9.541 1.00 3.32 H new ATOM 0 HB2 ARG A1182 8.002 2.211 8.522 1.00 0.14 H new ATOM 0 HB3 ARG A1182 8.397 3.548 9.584 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.479 1.893 11.149 1.00 43.10 H new ATOM 0 HG3 ARG A1182 6.757 2.205 11.247 1.00 43.10 H new ATOM 0 HD2 ARG A1182 7.320 0.340 9.078 1.00 64.42 H new ATOM 0 HD3 ARG A1182 8.035 -0.236 10.571 1.00 64.42 H new ATOM 0 HE ARG A1182 5.623 0.274 11.532 1.00 41.53 H new ATOM 0 HH11 ARG A1182 6.427 -1.042 8.333 1.00 53.13 H new ATOM 0 HH12 ARG A1182 4.898 -1.915 8.189 1.00 53.13 H new ATOM 0 HH21 ARG A1182 3.665 -0.851 11.317 1.00 71.21 H new ATOM 0 HH22 ARG A1182 3.346 -1.808 9.866 1.00 71.21 H new ATOM 536 N ASN A1183 5.195 3.510 6.817 1.00 41.43 N ATOM 537 CA ASN A1183 5.082 3.746 5.380 1.00 51.41 C ATOM 538 C ASN A1183 6.005 2.802 4.615 1.00 55.15 C ATOM 539 O ASN A1183 6.850 3.225 3.822 1.00 54.11 O ATOM 540 CB ASN A1183 5.384 5.213 5.034 1.00 4.35 C ATOM 541 CG ASN A1183 5.129 5.530 3.569 1.00 5.11 C ATOM 542 OD1 ASN A1183 6.055 5.855 2.826 1.00 72.14 O ATOM 543 ND2 ASN A1183 3.873 5.431 3.145 1.00 30.02 N ATOM 0 H ASN A1183 4.353 3.125 7.246 1.00 41.43 H new ATOM 0 HA ASN A1183 4.054 3.542 5.079 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.769 5.864 5.656 1.00 4.35 H new ATOM 0 HB3 ASN A1183 6.424 5.433 5.274 1.00 4.35 H new ATOM 0 HD21 ASN A1183 3.647 5.628 2.170 1.00 30.02 H new ATOM 0 HD22 ASN A1183 3.135 5.158 3.795 1.00 30.02 H new ATOM 550 N ILE A1184 5.829 1.505 4.879 1.00 40.13 N ATOM 551 CA ILE A1184 6.616 0.451 4.256 1.00 12.01 C ATOM 552 C ILE A1184 5.871 -0.163 3.069 1.00 42.13 C ATOM 553 O ILE A1184 6.486 -0.532 2.070 1.00 61.31 O ATOM 554 CB ILE A1184 6.947 -0.653 5.291 1.00 12.40 C ATOM 555 CG1 ILE A1184 8.002 -0.157 6.285 1.00 34.52 C ATOM 556 CG2 ILE A1184 7.408 -1.934 4.609 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.308 0.252 5.641 1.00 24.03 C ATOM 0 H ILE A1184 5.130 1.160 5.537 1.00 40.13 H new ATOM 0 HA ILE A1184 7.542 0.895 3.891 1.00 12.01 H new ATOM 0 HB ILE A1184 6.034 -0.882 5.840 1.00 12.40 H new ATOM 0 HG12 ILE A1184 7.598 0.693 6.835 1.00 34.52 H new ATOM 0 HG13 ILE A1184 8.198 -0.944 7.014 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.632 -2.688 5.364 1.00 50.22 H new ATOM 0 HG22 ILE A1184 6.619 -2.301 3.953 1.00 50.22 H new ATOM 0 HG23 ILE A1184 8.304 -1.731 4.022 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.002 0.591 6.410 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.737 -0.601 5.115 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.127 1.061 4.933 1.00 24.03 H new ATOM 569 N LYS A1185 4.545 -0.264 3.184 1.00 22.13 N ATOM 570 CA LYS A1185 3.723 -0.826 2.117 1.00 41.34 C ATOM 571 C LYS A1185 3.448 0.235 1.060 1.00 65.14 C ATOM 572 O LYS A1185 3.584 -0.015 -0.139 1.00 73.52 O ATOM 573 CB LYS A1185 2.403 -1.374 2.678 1.00 2.33 C ATOM 574 CG LYS A1185 2.174 -2.853 2.390 1.00 2.30 C ATOM 575 CD LYS A1185 2.063 -3.668 3.675 1.00 72.33 C ATOM 576 CE LYS A1185 0.958 -4.716 3.599 1.00 71.00 C ATOM 577 NZ LYS A1185 0.975 -5.466 2.310 1.00 23.33 N ATOM 0 H LYS A1185 4.021 0.037 4.006 1.00 22.13 H new ATOM 0 HA LYS A1185 4.267 -1.652 1.659 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.386 -1.217 3.757 1.00 2.33 H new ATOM 0 HB3 LYS A1185 1.576 -0.800 2.259 1.00 2.33 H new ATOM 0 HG2 LYS A1185 1.263 -2.973 1.803 1.00 2.30 H new ATOM 0 HG3 LYS A1185 2.995 -3.237 1.785 1.00 2.30 H new ATOM 0 HD2 LYS A1185 3.015 -4.160 3.874 1.00 72.33 H new ATOM 0 HD3 LYS A1185 1.869 -2.998 4.513 1.00 72.33 H new ATOM 0 HE2 LYS A1185 1.068 -5.417 4.426 1.00 71.00 H new ATOM 0 HE3 LYS A1185 -0.010 -4.229 3.721 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 0.098 -5.274 1.785 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 1.792 -5.163 1.743 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 1.047 -6.486 2.502 1.00 23.33 H new ATOM 591 N LYS A1186 3.067 1.427 1.527 1.00 53.34 N ATOM 592 CA LYS A1186 2.769 2.564 0.663 1.00 34.15 C ATOM 593 C LYS A1186 1.812 2.166 -0.464 1.00 12.40 C ATOM 594 O LYS A1186 2.067 2.435 -1.632 1.00 50.03 O ATOM 595 CB LYS A1186 4.057 3.168 0.073 1.00 44.31 C ATOM 596 CG LYS A1186 5.310 2.937 0.908 1.00 44.13 C ATOM 597 CD LYS A1186 6.287 2.014 0.194 1.00 34.02 C ATOM 598 CE LYS A1186 7.667 2.053 0.835 1.00 63.44 C ATOM 599 NZ LYS A1186 8.526 0.924 0.377 1.00 13.23 N ATOM 0 H LYS A1186 2.957 1.628 2.521 1.00 53.34 H new ATOM 0 HA LYS A1186 2.283 3.321 1.279 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.217 2.749 -0.920 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.914 4.241 -0.053 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.793 3.892 1.115 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.034 2.505 1.870 1.00 44.13 H new ATOM 0 HD2 LYS A1186 5.905 0.993 0.214 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.364 2.305 -0.854 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.152 2.999 0.594 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.565 2.014 1.919 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.503 1.078 0.699 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 8.167 0.032 0.773 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.508 0.873 -0.662 1.00 13.23 H new ATOM 613 N GLN A1187 0.710 1.520 -0.102 1.00 50.40 N ATOM 614 CA GLN A1187 -0.271 1.082 -1.093 1.00 53.33 C ATOM 615 C GLN A1187 -1.698 1.264 -0.588 1.00 74.03 C ATOM 616 O GLN A1187 -1.919 1.749 0.524 1.00 12.15 O ATOM 617 CB GLN A1187 -0.023 -0.381 -1.478 1.00 3.24 C ATOM 618 CG GLN A1187 0.043 -1.334 -0.292 1.00 52.22 C ATOM 619 CD GLN A1187 0.701 -2.657 -0.644 1.00 55.31 C ATOM 620 OE1 GLN A1187 0.037 -3.690 -0.735 1.00 35.23 O ATOM 621 NE2 GLN A1187 2.016 -2.633 -0.846 1.00 25.41 N ATOM 0 H GLN A1187 0.472 1.288 0.862 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.151 1.707 -1.978 1.00 53.33 H new ATOM 0 HB2 GLN A1187 -0.817 -0.708 -2.149 1.00 3.24 H new ATOM 0 HB3 GLN A1187 0.912 -0.445 -2.035 1.00 3.24 H new ATOM 0 HG2 GLN A1187 0.597 -0.861 0.519 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.966 -1.520 0.077 1.00 52.22 H new ATOM 0 HE21 GLN A1187 2.529 -1.756 -0.761 1.00 25.41 H new ATOM 0 HE22 GLN A1187 2.511 -3.492 -1.086 1.00 25.41 H new ATOM 630 N CYS A1188 -2.666 0.889 -1.426 1.00 24.13 N ATOM 631 CA CYS A1188 -4.077 1.026 -1.081 1.00 3.24 C ATOM 632 C CYS A1188 -4.532 -0.036 -0.077 1.00 43.41 C ATOM 633 O CYS A1188 -4.019 -1.156 -0.052 1.00 40.23 O ATOM 634 CB CYS A1188 -4.951 0.986 -2.338 1.00 43.51 C ATOM 635 SG CYS A1188 -6.633 1.600 -2.089 1.00 5.43 S ATOM 0 H CYS A1188 -2.496 0.488 -2.348 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.195 1.998 -0.602 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.472 1.577 -3.119 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -5.001 -0.041 -2.700 1.00 43.51 H new ATOM 0 HG CYS A1188 -7.291 1.528 -3.208 1.00 5.43 H new ATOM 641 N CYS A1189 -5.516 0.347 0.734 1.00 75.03 N ATOM 642 CA CYS A1189 -6.092 -0.543 1.747 1.00 5.21 C ATOM 643 C CYS A1189 -6.474 -1.901 1.147 1.00 3.23 C ATOM 644 O CYS A1189 -6.998 -1.979 0.036 1.00 42.41 O ATOM 645 CB CYS A1189 -7.319 0.122 2.377 1.00 1.22 C ATOM 646 SG CYS A1189 -8.372 -0.993 3.330 1.00 22.22 S ATOM 0 H CYS A1189 -5.936 1.276 0.710 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.339 -0.721 2.515 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.984 0.929 3.028 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.916 0.577 1.586 1.00 1.22 H new ATOM 0 HG CYS A1189 -9.602 -0.576 3.281 1.00 22.22 H new ATOM 651 N LYS A1190 -6.211 -2.968 1.914 1.00 63.32 N ATOM 652 CA LYS A1190 -6.519 -4.352 1.527 1.00 34.02 C ATOM 653 C LYS A1190 -8.002 -4.524 1.180 1.00 55.43 C ATOM 654 O LYS A1190 -8.352 -5.244 0.244 1.00 3.24 O ATOM 655 CB LYS A1190 -6.164 -5.288 2.688 1.00 42.40 C ATOM 656 CG LYS A1190 -5.381 -6.523 2.283 1.00 41.11 C ATOM 657 CD LYS A1190 -4.017 -6.555 2.936 1.00 65.13 C ATOM 658 CE LYS A1190 -4.067 -7.326 4.243 1.00 71.24 C ATOM 659 NZ LYS A1190 -3.923 -8.795 4.037 1.00 34.12 N ATOM 0 H LYS A1190 -5.773 -2.893 2.832 1.00 63.32 H new ATOM 0 HA LYS A1190 -5.932 -4.596 0.641 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -5.584 -4.730 3.423 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -7.085 -5.602 3.180 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -5.940 -7.417 2.562 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -5.267 -6.543 1.199 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -3.296 -7.018 2.262 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.673 -5.537 3.121 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -3.273 -6.974 4.901 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -5.012 -7.123 4.747 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -3.963 -9.280 4.956 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -4.695 -9.138 3.431 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -3.010 -8.994 3.580 1.00 34.12 H new ATOM 673 N MET A1191 -8.862 -3.838 1.937 1.00 51.35 N ATOM 674 CA MET A1191 -10.309 -3.879 1.724 1.00 43.31 C ATOM 675 C MET A1191 -10.736 -2.909 0.621 1.00 42.42 C ATOM 676 O MET A1191 -11.860 -2.987 0.120 1.00 52.24 O ATOM 677 CB MET A1191 -11.045 -3.544 3.025 1.00 14.25 C ATOM 678 CG MET A1191 -11.373 -4.765 3.871 1.00 23.42 C ATOM 679 SD MET A1191 -12.893 -4.567 4.822 1.00 75.10 S ATOM 680 CE MET A1191 -14.123 -4.622 3.520 1.00 20.12 C ATOM 0 H MET A1191 -8.575 -3.241 2.712 1.00 51.35 H new ATOM 0 HA MET A1191 -10.572 -4.889 1.410 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.434 -2.859 3.612 1.00 14.25 H new ATOM 0 HB3 MET A1191 -11.970 -3.020 2.785 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.466 -5.636 3.223 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.546 -4.962 4.553 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.722 -3.712 3.547 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.626 -4.701 2.553 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.770 -5.487 3.667 1.00 20.12 H new ATOM 690 N ARG A1192 -9.842 -1.990 0.252 1.00 70.22 N ATOM 691 CA ARG A1192 -10.132 -1.002 -0.777 1.00 25.23 C ATOM 692 C ARG A1192 -9.397 -1.292 -2.092 1.00 34.10 C ATOM 693 O ARG A1192 -9.546 -0.546 -3.062 1.00 21.31 O ATOM 694 CB ARG A1192 -9.755 0.393 -0.271 1.00 33.42 C ATOM 695 CG ARG A1192 -10.527 1.520 -0.940 1.00 44.45 C ATOM 696 CD ARG A1192 -10.497 2.788 -0.101 1.00 14.13 C ATOM 697 NE ARG A1192 -9.139 3.312 0.057 1.00 74.11 N ATOM 698 CZ ARG A1192 -8.792 4.235 0.960 1.00 43.31 C ATOM 699 NH1 ARG A1192 -9.700 4.746 1.791 1.00 72.34 N ATOM 700 NH2 ARG A1192 -7.531 4.649 1.031 1.00 41.14 N ATOM 0 H ARG A1192 -8.908 -1.913 0.655 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.201 -1.052 -0.985 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -9.926 0.437 0.805 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -8.688 0.551 -0.431 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -10.100 1.722 -1.923 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -11.560 1.211 -1.098 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -11.126 3.546 -0.568 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -10.922 2.582 0.881 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.412 2.950 -0.560 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -10.670 4.433 1.742 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -9.425 5.450 2.476 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -6.831 4.263 0.398 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -7.263 5.353 1.719 1.00 41.14 H new ATOM 714 N LYS A1193 -8.614 -2.380 -2.131 1.00 12.22 N ATOM 715 CA LYS A1193 -7.876 -2.754 -3.337 1.00 53.34 C ATOM 716 C LYS A1193 -8.832 -3.080 -4.479 1.00 23.33 C ATOM 717 O LYS A1193 -9.683 -3.964 -4.362 1.00 10.03 O ATOM 718 CB LYS A1193 -6.967 -3.957 -3.059 1.00 52.02 C ATOM 719 CG LYS A1193 -5.558 -3.795 -3.606 1.00 53.24 C ATOM 720 CD LYS A1193 -4.715 -2.900 -2.712 1.00 44.42 C ATOM 721 CE LYS A1193 -3.478 -2.390 -3.436 1.00 34.02 C ATOM 722 NZ LYS A1193 -2.236 -2.633 -2.650 1.00 62.42 N ATOM 0 H LYS A1193 -8.478 -3.012 -1.342 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.260 -1.904 -3.631 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.913 -4.120 -1.983 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.416 -4.850 -3.494 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.085 -4.773 -3.693 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.602 -3.372 -4.609 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.314 -2.054 -2.374 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -4.414 -3.453 -1.822 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -3.396 -2.881 -4.406 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -3.584 -1.322 -3.628 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -1.411 -2.318 -3.199 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -2.281 -2.102 -1.757 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -2.148 -3.649 -2.445 1.00 62.42 H new ATOM 736 N CYS A1194 -8.672 -2.356 -5.584 1.00 72.22 N ATOM 737 CA CYS A1194 -9.504 -2.556 -6.762 1.00 10.42 C ATOM 738 C CYS A1194 -9.336 -3.974 -7.313 1.00 55.20 C ATOM 739 O CYS A1194 -8.222 -4.412 -7.606 1.00 0.11 O ATOM 740 CB CYS A1194 -9.137 -1.534 -7.838 1.00 74.32 C ATOM 741 SG CYS A1194 -10.244 -1.525 -9.266 1.00 0.41 S ATOM 0 H CYS A1194 -7.970 -1.623 -5.686 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.546 -2.420 -6.474 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.132 -0.540 -7.391 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.122 -1.734 -8.181 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.314 -0.844 -8.981 1.00 0.41 H new ATOM 746 N GLN A1195 -10.457 -4.681 -7.449 1.00 50.31 N ATOM 747 CA GLN A1195 -10.460 -6.051 -7.964 1.00 20.22 C ATOM 748 C GLN A1195 -10.560 -6.082 -9.496 1.00 15.11 C ATOM 749 O GLN A1195 -10.508 -7.155 -10.102 1.00 43.24 O ATOM 750 CB GLN A1195 -11.620 -6.847 -7.353 1.00 45.21 C ATOM 751 CG GLN A1195 -11.716 -6.734 -5.837 1.00 43.13 C ATOM 752 CD GLN A1195 -10.567 -7.422 -5.123 1.00 50.42 C ATOM 753 OE1 GLN A1195 -9.492 -6.845 -4.958 1.00 71.33 O ATOM 754 NE2 GLN A1195 -10.787 -8.662 -4.697 1.00 42.22 N ATOM 0 H GLN A1195 -11.382 -4.325 -7.208 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.513 -6.510 -7.678 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -12.556 -6.502 -7.793 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -11.509 -7.897 -7.623 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -11.734 -5.681 -5.556 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -12.658 -7.169 -5.504 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -11.693 -9.102 -4.855 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -10.049 -9.173 -4.212 1.00 42.22 H new ATOM 763 N ASN A1196 -10.702 -4.905 -10.116 1.00 31.31 N ATOM 764 CA ASN A1196 -10.806 -4.803 -11.569 1.00 53.34 C ATOM 765 C ASN A1196 -10.162 -3.505 -12.061 1.00 64.12 C ATOM 766 O ASN A1196 -10.813 -2.675 -12.699 1.00 45.42 O ATOM 767 CB ASN A1196 -12.277 -4.866 -12.004 1.00 22.42 C ATOM 768 CG ASN A1196 -12.902 -6.226 -11.755 1.00 75.25 C ATOM 769 OD1 ASN A1196 -13.598 -6.428 -10.759 1.00 22.25 O ATOM 770 ND2 ASN A1196 -12.658 -7.169 -12.660 1.00 70.22 N ATOM 0 H ASN A1196 -10.747 -4.010 -9.629 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.274 -5.644 -12.014 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.844 -4.106 -11.466 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.349 -4.626 -13.065 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -13.053 -8.102 -12.543 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -12.076 -6.959 -13.471 1.00 70.22 H new ATOM 777 N LEU A1197 -8.874 -3.336 -11.752 1.00 41.12 N ATOM 778 CA LEU A1197 -8.134 -2.140 -12.152 1.00 72.14 C ATOM 779 C LEU A1197 -8.084 -1.998 -13.671 1.00 40.01 C ATOM 780 O LEU A1197 -8.050 -2.993 -14.398 1.00 52.43 O ATOM 781 CB LEU A1197 -6.713 -2.166 -11.579 1.00 60.33 C ATOM 782 CG LEU A1197 -6.486 -1.261 -10.363 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.004 -1.030 -10.129 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.205 0.072 -10.535 1.00 53.11 C ATOM 0 H LEU A1197 -8.323 -4.014 -11.226 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.662 -1.277 -11.747 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.469 -3.191 -11.300 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.016 -1.875 -12.365 1.00 60.33 H new ATOM 0 HG LEU A1197 -6.899 -1.767 -9.491 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.869 -0.385 -9.261 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.510 -1.985 -9.951 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.567 -0.553 -11.007 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -7.029 0.696 -9.659 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.826 0.578 -11.423 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.275 -0.103 -10.646 1.00 53.11 H new