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: A1187 GLN : amide:sc= -0.332 K(o=-1.4,f=-5.4!) USER MOD Set 1.2: A1193 LYS NZ :NH3+ -175:sc= -1.06 (180deg=-1.11) USER MOD Set 2.1: A1172 ASN : amide:sc= -3.88! C(o=-2.6!,f=-16!) USER MOD Set 2.2: A1185 LYS NZ :NH3+ -172:sc= 1.27 (180deg=0) USER MOD Set 2.3: A1190 LYS NZ :NH3+ -134:sc= 0 (180deg=0) USER MOD Set 3.1: A1167 CYS SG : rot -150:sc= -0.0146 USER MOD Set 3.2: A1170 CYS SG : rot -61:sc= 0.187! USER MOD Set 3.3: A1173 CYS SG : rot -43:sc= -2.39! USER MOD Set 3.4: A1189 CYS SG : rot 88:sc= 0.182 USER MOD Set 4.1: A1155 CYS SG : rot -13:sc= -0.783 USER MOD Set 4.2: A1158 CYS SG : rot -64:sc= 0.234 USER MOD Set 4.3: A1161 CYS SG : rot 60:sc= -2.03! USER MOD Set 4.4: A1194 CYS SG : rot 44:sc= -0.0836 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A1171 THR OG1 : rot 170:sc= -2.27! USER MOD Single : A1176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1178 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.484) USER MOD Single : A1183 ASN : amide:sc= -0.209 K(o=-0.21,f=-4.5!) USER MOD Single : A1186 LYS NZ :NH3+ -175:sc= 0.257 (180deg=0.173) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1191 MET CE :methyl -173:sc= -1.31 (180deg=-1.58) USER MOD Single : A1195 GLN : amide:sc= 0.105 X(o=0.11,f=0) USER MOD Single : A1196 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.067 3.133 -12.517 1.00 33.42 N ATOM 112 CA ARG A1153 -7.204 3.883 -11.997 1.00 41.43 C ATOM 113 C ARG A1153 -8.297 2.949 -11.482 1.00 11.15 C ATOM 114 O ARG A1153 -8.572 1.912 -12.090 1.00 31.14 O ATOM 115 CB ARG A1153 -7.777 4.761 -13.112 1.00 14.30 C ATOM 116 CG ARG A1153 -6.864 5.909 -13.510 1.00 73.14 C ATOM 117 CD ARG A1153 -6.753 6.943 -12.400 1.00 1.24 C ATOM 118 NE ARG A1153 -5.573 6.729 -11.560 1.00 23.40 N ATOM 119 CZ ARG A1153 -4.354 7.204 -11.837 1.00 2.31 C ATOM 120 NH1 ARG A1153 -4.139 7.918 -12.941 1.00 44.11 N ATOM 121 NH2 ARG A1153 -3.346 6.962 -11.007 1.00 74.32 N ATOM 0 HA ARG A1153 -6.859 4.497 -11.165 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.971 4.142 -13.988 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -8.736 5.165 -12.788 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -5.873 5.522 -13.748 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -7.247 6.383 -14.414 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.709 7.940 -12.838 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.649 6.906 -11.781 1.00 1.24 H new ATOM 0 HE ARG A1153 -5.688 6.181 -10.707 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -4.908 8.107 -13.584 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -3.205 8.276 -13.143 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -3.502 6.415 -10.160 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -2.415 7.323 -11.216 1.00 74.32 H new ATOM 135 N ARG A1154 -8.924 3.325 -10.369 1.00 52.40 N ATOM 136 CA ARG A1154 -9.994 2.520 -9.782 1.00 62.14 C ATOM 137 C ARG A1154 -11.198 2.458 -10.730 1.00 30.30 C ATOM 138 O ARG A1154 -11.637 3.487 -11.251 1.00 74.42 O ATOM 139 CB ARG A1154 -10.415 3.110 -8.432 1.00 45.41 C ATOM 140 CG ARG A1154 -9.476 2.750 -7.289 1.00 23.13 C ATOM 141 CD ARG A1154 -8.582 3.922 -6.904 1.00 3.20 C ATOM 142 NE ARG A1154 -7.347 3.961 -7.690 1.00 15.22 N ATOM 143 CZ ARG A1154 -6.358 4.836 -7.487 1.00 23.13 C ATOM 144 NH1 ARG A1154 -6.443 5.741 -6.514 1.00 2.55 N ATOM 145 NH2 ARG A1154 -5.276 4.802 -8.257 1.00 40.44 N ATOM 0 H ARG A1154 -8.710 4.180 -9.856 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.623 1.507 -9.625 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -10.467 4.195 -8.520 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -11.419 2.761 -8.190 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.060 2.438 -6.423 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -8.858 1.901 -7.580 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -9.129 4.854 -7.044 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -8.334 3.854 -5.845 1.00 3.20 H new ATOM 0 HE ARG A1154 -7.235 3.278 -8.439 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -7.269 5.770 -5.916 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -5.683 6.405 -6.367 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -5.201 4.109 -9.002 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -4.520 5.469 -8.104 1.00 40.44 H new ATOM 159 N CYS A1155 -11.719 1.250 -10.960 1.00 23.05 N ATOM 160 CA CYS A1155 -12.863 1.047 -11.856 1.00 1.11 C ATOM 161 C CYS A1155 -14.132 1.737 -11.358 1.00 10.20 C ATOM 162 O CYS A1155 -14.840 2.371 -12.143 1.00 75.34 O ATOM 163 CB CYS A1155 -13.132 -0.446 -12.064 1.00 33.23 C ATOM 164 SG CYS A1155 -13.340 -1.391 -10.542 1.00 53.42 S ATOM 0 H CYS A1155 -11.365 0.393 -10.536 1.00 23.05 H new ATOM 0 HA CYS A1155 -12.594 1.505 -12.808 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.030 -0.559 -12.672 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.307 -0.875 -12.632 1.00 33.23 H new ATOM 0 HG CYS A1155 -12.950 -0.675 -9.530 1.00 53.42 H new ATOM 169 N GLY A1156 -14.425 1.612 -10.060 1.00 23.42 N ATOM 170 CA GLY A1156 -15.617 2.232 -9.504 1.00 72.43 C ATOM 171 C GLY A1156 -16.791 1.268 -9.355 1.00 43.32 C ATOM 172 O GLY A1156 -17.828 1.644 -8.807 1.00 3.12 O ATOM 0 H GLY A1156 -13.859 1.094 -9.388 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.376 2.653 -8.528 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -15.917 3.062 -10.144 1.00 72.43 H new ATOM 176 N GLN A1157 -16.641 0.033 -9.853 1.00 34.13 N ATOM 177 CA GLN A1157 -17.719 -0.962 -9.774 1.00 5.23 C ATOM 178 C GLN A1157 -17.321 -2.211 -8.972 1.00 54.32 C ATOM 179 O GLN A1157 -18.193 -2.982 -8.564 1.00 24.22 O ATOM 180 CB GLN A1157 -18.166 -1.367 -11.181 1.00 1.14 C ATOM 181 CG GLN A1157 -19.673 -1.309 -11.384 1.00 4.15 C ATOM 182 CD GLN A1157 -20.401 -2.451 -10.698 1.00 45.04 C ATOM 183 OE1 GLN A1157 -20.951 -2.286 -9.609 1.00 51.54 O ATOM 184 NE2 GLN A1157 -20.408 -3.620 -11.332 1.00 12.22 N ATOM 0 H GLN A1157 -15.792 -0.299 -10.311 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.545 -0.490 -9.242 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -17.685 -0.713 -11.908 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -17.819 -2.380 -11.385 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.051 -0.361 -11.001 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -19.893 -1.332 -12.451 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -19.940 -3.714 -12.233 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -20.882 -4.422 -10.917 1.00 12.22 H new ATOM 193 N CYS A1158 -16.021 -2.417 -8.749 1.00 21.34 N ATOM 194 CA CYS A1158 -15.555 -3.586 -8.000 1.00 11.34 C ATOM 195 C CYS A1158 -15.845 -3.436 -6.504 1.00 1.24 C ATOM 196 O CYS A1158 -15.996 -2.320 -6.001 1.00 10.22 O ATOM 197 CB CYS A1158 -14.058 -3.814 -8.231 1.00 53.42 C ATOM 198 SG CYS A1158 -12.985 -2.662 -7.348 1.00 41.45 S ATOM 0 H CYS A1158 -15.279 -1.796 -9.073 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.101 -4.455 -8.366 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -13.807 -4.831 -7.929 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -13.852 -3.739 -9.299 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.181 -1.457 -7.795 1.00 41.45 H new ATOM 203 N PRO A1159 -15.936 -4.567 -5.771 1.00 13.34 N ATOM 204 CA PRO A1159 -16.219 -4.564 -4.326 1.00 52.32 C ATOM 205 C PRO A1159 -15.188 -3.776 -3.515 1.00 10.44 C ATOM 206 O PRO A1159 -15.524 -3.186 -2.486 1.00 34.34 O ATOM 207 CB PRO A1159 -16.185 -6.048 -3.942 1.00 33.14 C ATOM 208 CG PRO A1159 -16.400 -6.784 -5.220 1.00 53.42 C ATOM 209 CD PRO A1159 -15.779 -5.936 -6.293 1.00 42.13 C ATOM 0 HA PRO A1159 -17.170 -4.077 -4.111 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.231 -6.316 -3.488 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -16.962 -6.285 -3.215 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -15.938 -7.770 -5.185 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -17.463 -6.937 -5.409 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -14.731 -6.189 -6.451 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.285 -6.063 -7.250 1.00 42.13 H new ATOM 217 N GLY A1160 -13.944 -3.742 -4.000 1.00 75.21 N ATOM 218 CA GLY A1160 -12.900 -2.992 -3.319 1.00 43.32 C ATOM 219 C GLY A1160 -13.124 -1.494 -3.436 1.00 4.10 C ATOM 220 O GLY A1160 -12.919 -0.749 -2.476 1.00 54.55 O ATOM 0 H GLY A1160 -13.643 -4.220 -4.850 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -12.874 -3.276 -2.267 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -11.930 -3.250 -3.743 1.00 43.32 H new ATOM 224 N CYS A1161 -13.577 -1.063 -4.617 1.00 41.14 N ATOM 225 CA CYS A1161 -13.873 0.344 -4.883 1.00 54.42 C ATOM 226 C CYS A1161 -15.133 0.787 -4.138 1.00 32.30 C ATOM 227 O CYS A1161 -15.330 1.978 -3.894 1.00 53.41 O ATOM 228 CB CYS A1161 -14.039 0.584 -6.385 1.00 63.34 C ATOM 229 SG CYS A1161 -12.479 0.792 -7.272 1.00 42.02 S ATOM 0 H CYS A1161 -13.748 -1.679 -5.412 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.033 0.938 -4.523 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.583 -0.255 -6.819 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -14.652 1.473 -6.535 1.00 63.34 H new ATOM 0 HG CYS A1161 -11.753 -0.277 -7.131 1.00 42.02 H new ATOM 234 N GLN A1162 -15.986 -0.182 -3.779 1.00 33.23 N ATOM 235 CA GLN A1162 -17.225 0.100 -3.064 1.00 41.33 C ATOM 236 C GLN A1162 -16.962 0.334 -1.578 1.00 43.34 C ATOM 237 O GLN A1162 -17.788 0.942 -0.899 1.00 22.15 O ATOM 238 CB GLN A1162 -18.219 -1.052 -3.244 1.00 63.42 C ATOM 239 CG GLN A1162 -18.852 -1.101 -4.626 1.00 70.05 C ATOM 240 CD GLN A1162 -19.751 -2.310 -4.813 1.00 21.00 C ATOM 241 OE1 GLN A1162 -20.857 -2.364 -4.276 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.280 -3.291 -5.577 1.00 3.02 N ATOM 0 H GLN A1162 -15.834 -1.171 -3.976 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.654 1.010 -3.484 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.707 -1.995 -3.055 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.007 -0.961 -2.496 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.432 -0.193 -4.788 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.066 -1.117 -5.381 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -18.358 -3.207 -6.004 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.841 -4.128 -5.736 1.00 3.02 H new ATOM 251 N VAL A1163 -15.797 -0.100 -1.083 1.00 50.22 N ATOM 252 CA VAL A1163 -15.439 0.129 0.312 1.00 63.43 C ATOM 253 C VAL A1163 -15.028 1.594 0.459 1.00 1.44 C ATOM 254 O VAL A1163 -14.016 2.021 -0.102 1.00 23.11 O ATOM 255 CB VAL A1163 -14.311 -0.818 0.779 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.760 -0.411 2.138 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.818 -2.246 0.826 1.00 45.33 C ATOM 0 H VAL A1163 -15.096 -0.606 -1.625 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.298 -0.086 0.948 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.497 -0.747 0.058 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.969 -1.101 2.431 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -13.356 0.600 2.079 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.560 -0.440 2.878 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -14.016 -2.906 1.156 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.653 -2.313 1.523 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.150 -2.547 -0.168 1.00 45.33 H new ATOM 267 N PRO A1164 -15.843 2.400 1.165 1.00 71.44 N ATOM 268 CA PRO A1164 -15.591 3.838 1.320 1.00 13.33 C ATOM 269 C PRO A1164 -14.474 4.194 2.298 1.00 5.30 C ATOM 270 O PRO A1164 -13.983 5.325 2.275 1.00 5.32 O ATOM 271 CB PRO A1164 -16.929 4.369 1.837 1.00 15.33 C ATOM 272 CG PRO A1164 -17.533 3.220 2.566 1.00 1.11 C ATOM 273 CD PRO A1164 -17.103 1.988 1.820 1.00 3.53 C ATOM 0 HA PRO A1164 -15.251 4.269 0.378 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.788 5.226 2.496 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.568 4.699 1.018 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -17.190 3.190 3.600 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.620 3.302 2.592 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.948 1.145 2.494 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.852 1.679 1.091 1.00 3.53 H new ATOM 281 N GLU A1165 -14.079 3.263 3.168 1.00 65.22 N ATOM 282 CA GLU A1165 -13.035 3.557 4.139 1.00 11.42 C ATOM 283 C GLU A1165 -12.139 2.359 4.426 1.00 40.05 C ATOM 284 O GLU A1165 -12.582 1.209 4.424 1.00 72.02 O ATOM 285 CB GLU A1165 -13.652 4.047 5.446 1.00 54.32 C ATOM 286 CG GLU A1165 -15.080 3.582 5.664 1.00 74.44 C ATOM 287 CD GLU A1165 -15.184 2.084 5.892 1.00 4.32 C ATOM 288 OE1 GLU A1165 -14.765 1.617 6.972 1.00 4.11 O ATOM 289 OE2 GLU A1165 -15.679 1.380 4.988 1.00 55.43 O ATOM 0 H GLU A1165 -14.460 2.318 3.218 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.413 4.336 3.698 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -13.037 3.703 6.278 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.629 5.137 5.461 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -15.500 4.105 6.523 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -15.682 3.856 4.798 1.00 74.44 H new ATOM 296 N ASP A1166 -10.878 2.667 4.712 1.00 52.42 N ATOM 297 CA ASP A1166 -9.876 1.661 5.056 1.00 54.32 C ATOM 298 C ASP A1166 -10.315 0.869 6.283 1.00 24.20 C ATOM 299 O ASP A1166 -10.790 1.439 7.268 1.00 4.45 O ATOM 300 CB ASP A1166 -8.502 2.309 5.316 1.00 42.32 C ATOM 301 CG ASP A1166 -8.586 3.728 5.858 1.00 32.30 C ATOM 302 OD1 ASP A1166 -9.292 3.944 6.867 1.00 1.41 O ATOM 303 OD2 ASP A1166 -7.943 4.623 5.272 1.00 11.20 O ATOM 0 H ASP A1166 -10.520 3.622 4.712 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.781 0.983 4.208 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -7.948 1.692 6.023 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.933 2.318 4.386 1.00 42.32 H new ATOM 308 N CYS A1167 -10.149 -0.449 6.209 1.00 33.35 N ATOM 309 CA CYS A1167 -10.524 -1.339 7.307 1.00 12.51 C ATOM 310 C CYS A1167 -9.775 -0.984 8.594 1.00 3.00 C ATOM 311 O CYS A1167 -10.339 -1.040 9.689 1.00 75.13 O ATOM 312 CB CYS A1167 -10.275 -2.803 6.929 1.00 20.21 C ATOM 313 SG CYS A1167 -8.560 -3.187 6.514 1.00 63.11 S ATOM 0 H CYS A1167 -9.756 -0.927 5.398 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.590 -1.204 7.491 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.586 -3.437 7.759 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.907 -3.058 6.079 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.529 -4.159 5.652 1.00 63.11 H new ATOM 318 N GLY A1168 -8.502 -0.602 8.443 1.00 61.35 N ATOM 319 CA GLY A1168 -7.685 -0.220 9.583 1.00 61.11 C ATOM 320 C GLY A1168 -6.977 -1.383 10.263 1.00 41.43 C ATOM 321 O GLY A1168 -6.230 -1.167 11.219 1.00 11.55 O ATOM 0 H GLY A1168 -8.024 -0.552 7.544 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.938 0.503 9.254 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.316 0.284 10.315 1.00 61.11 H new ATOM 325 N VAL A1169 -7.213 -2.612 9.796 1.00 5.14 N ATOM 326 CA VAL A1169 -6.585 -3.784 10.409 1.00 10.32 C ATOM 327 C VAL A1169 -5.632 -4.526 9.463 1.00 1.33 C ATOM 328 O VAL A1169 -4.809 -5.324 9.917 1.00 0.21 O ATOM 329 CB VAL A1169 -7.641 -4.779 10.941 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.381 -4.188 12.132 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.617 -5.177 9.841 1.00 34.30 C ATOM 0 H VAL A1169 -7.825 -2.819 9.007 1.00 5.14 H new ATOM 0 HA VAL A1169 -5.996 -3.392 11.238 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.123 -5.679 11.272 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.120 -4.903 12.492 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.671 -3.968 12.929 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -8.883 -3.269 11.829 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.350 -5.878 10.241 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.129 -4.289 9.470 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.072 -5.649 9.024 1.00 34.30 H new ATOM 341 N CYS A1170 -5.743 -4.271 8.155 1.00 31.54 N ATOM 342 CA CYS A1170 -4.889 -4.925 7.169 1.00 20.33 C ATOM 343 C CYS A1170 -3.479 -4.336 7.185 1.00 31.20 C ATOM 344 O CYS A1170 -3.275 -3.181 7.558 1.00 41.54 O ATOM 345 CB CYS A1170 -5.502 -4.807 5.771 1.00 20.04 C ATOM 346 SG CYS A1170 -5.304 -3.183 5.009 1.00 33.30 S ATOM 0 H CYS A1170 -6.417 -3.616 7.759 1.00 31.54 H new ATOM 0 HA CYS A1170 -4.816 -5.980 7.432 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -5.048 -5.557 5.123 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.565 -5.040 5.832 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.889 -2.284 5.744 1.00 33.30 H new ATOM 351 N THR A1171 -2.516 -5.156 6.780 1.00 13.53 N ATOM 352 CA THR A1171 -1.101 -4.761 6.740 1.00 51.14 C ATOM 353 C THR A1171 -0.855 -3.487 5.922 1.00 25.34 C ATOM 354 O THR A1171 0.084 -2.744 6.213 1.00 45.43 O ATOM 355 CB THR A1171 -0.237 -5.896 6.177 1.00 43.21 C ATOM 356 OG1 THR A1171 1.118 -5.498 6.076 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.690 -6.372 4.813 1.00 25.44 C ATOM 0 H THR A1171 -2.687 -6.112 6.470 1.00 13.53 H new ATOM 0 HA THR A1171 -0.819 -4.550 7.772 1.00 51.14 H new ATOM 0 HB THR A1171 -0.347 -6.720 6.882 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.674 -6.279 5.870 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.037 -7.175 4.472 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.714 -6.740 4.878 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.646 -5.544 4.106 1.00 25.44 H new ATOM 365 N ASN A1172 -1.685 -3.232 4.907 1.00 64.24 N ATOM 366 CA ASN A1172 -1.516 -2.038 4.075 1.00 51.03 C ATOM 367 C ASN A1172 -1.915 -0.795 4.861 1.00 13.52 C ATOM 368 O ASN A1172 -1.219 0.221 4.830 1.00 4.51 O ATOM 369 CB ASN A1172 -2.355 -2.145 2.796 1.00 22.23 C ATOM 370 CG ASN A1172 -1.835 -3.207 1.842 1.00 72.54 C ATOM 371 OD1 ASN A1172 -1.056 -4.077 2.228 1.00 70.45 O ATOM 372 ND2 ASN A1172 -2.268 -3.147 0.588 1.00 72.54 N ATOM 0 H ASN A1172 -2.470 -3.827 4.644 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.466 -1.960 3.792 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -3.387 -2.374 3.061 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.363 -1.180 2.290 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.954 -3.838 -0.093 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.914 -2.410 0.306 1.00 72.54 H new ATOM 379 N CYS A1173 -3.023 -0.901 5.590 1.00 72.10 N ATOM 380 CA CYS A1173 -3.514 0.187 6.421 1.00 51.15 C ATOM 381 C CYS A1173 -2.549 0.444 7.570 1.00 32.02 C ATOM 382 O CYS A1173 -2.178 1.586 7.832 1.00 1.11 O ATOM 383 CB CYS A1173 -4.895 -0.155 6.988 1.00 10.14 C ATOM 384 SG CYS A1173 -6.251 0.059 5.816 1.00 43.23 S ATOM 0 H CYS A1173 -3.601 -1.741 5.619 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.592 1.082 5.804 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -4.888 -1.189 7.333 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -5.082 0.471 7.861 1.00 10.14 H new ATOM 0 HG CYS A1173 -6.088 1.170 5.162 1.00 43.23 H new ATOM 389 N LEU A1174 -2.124 -0.632 8.239 1.00 55.10 N ATOM 390 CA LEU A1174 -1.182 -0.518 9.350 1.00 75.13 C ATOM 391 C LEU A1174 0.132 0.110 8.897 1.00 24.23 C ATOM 392 O LEU A1174 0.766 0.842 9.655 1.00 21.32 O ATOM 393 CB LEU A1174 -0.920 -1.887 9.982 1.00 12.24 C ATOM 394 CG LEU A1174 -2.171 -2.660 10.389 1.00 14.22 C ATOM 395 CD1 LEU A1174 -1.818 -4.083 10.792 1.00 44.35 C ATOM 396 CD2 LEU A1174 -2.889 -1.940 11.517 1.00 44.31 C ATOM 0 H LEU A1174 -2.417 -1.586 8.030 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.633 0.133 10.099 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.350 -2.493 9.277 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.293 -1.750 10.863 1.00 12.24 H new ATOM 0 HG LEU A1174 -2.841 -2.712 9.531 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -2.725 -4.616 11.078 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.348 -4.593 9.951 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.128 -4.062 11.636 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -3.780 -2.502 11.798 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.225 -1.858 12.377 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.178 -0.943 11.186 1.00 44.31 H new ATOM 408 N ASP A1175 0.532 -0.178 7.654 1.00 70.13 N ATOM 409 CA ASP A1175 1.769 0.367 7.107 1.00 70.13 C ATOM 410 C ASP A1175 1.654 1.875 6.885 1.00 61.50 C ATOM 411 O ASP A1175 2.651 2.591 6.957 1.00 5.34 O ATOM 412 CB ASP A1175 2.151 -0.335 5.801 1.00 65.04 C ATOM 413 CG ASP A1175 3.445 -1.116 5.925 1.00 40.44 C ATOM 414 OD1 ASP A1175 4.517 -0.481 5.984 1.00 22.11 O ATOM 415 OD2 ASP A1175 3.385 -2.364 5.964 1.00 32.31 O ATOM 0 H ASP A1175 0.017 -0.783 7.014 1.00 70.13 H new ATOM 0 HA ASP A1175 2.558 0.186 7.837 1.00 70.13 H new ATOM 0 HB2 ASP A1175 1.348 -1.011 5.506 1.00 65.04 H new ATOM 0 HB3 ASP A1175 2.251 0.406 5.008 1.00 65.04 H new ATOM 420 N LYS A1176 0.431 2.356 6.644 1.00 62.33 N ATOM 421 CA LYS A1176 0.193 3.782 6.446 1.00 41.01 C ATOM 422 C LYS A1176 0.416 4.534 7.757 1.00 53.14 C ATOM 423 O LYS A1176 0.163 3.996 8.837 1.00 31.05 O ATOM 424 CB LYS A1176 -1.232 4.029 5.937 1.00 50.13 C ATOM 425 CG LYS A1176 -1.457 3.582 4.500 1.00 60.51 C ATOM 426 CD LYS A1176 -2.844 2.986 4.311 1.00 3.32 C ATOM 427 CE LYS A1176 -3.521 3.526 3.060 1.00 44.32 C ATOM 428 NZ LYS A1176 -4.880 2.944 2.867 1.00 42.40 N ATOM 0 H LYS A1176 -0.406 1.777 6.582 1.00 62.33 H new ATOM 0 HA LYS A1176 0.895 4.149 5.697 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.935 3.505 6.585 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.457 5.093 6.016 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -1.331 4.432 3.830 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.703 2.845 4.225 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -2.768 1.901 4.244 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.458 3.210 5.183 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -3.597 4.611 3.128 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -2.904 3.304 2.189 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -5.307 3.338 2.004 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -4.805 1.911 2.776 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -5.477 3.177 3.686 1.00 42.40 H new ATOM 442 N PRO A1177 0.898 5.788 7.685 1.00 43.21 N ATOM 443 CA PRO A1177 1.159 6.607 8.875 1.00 21.41 C ATOM 444 C PRO A1177 -0.083 6.804 9.748 1.00 70.01 C ATOM 445 O PRO A1177 0.015 6.821 10.976 1.00 21.51 O ATOM 446 CB PRO A1177 1.634 7.951 8.302 1.00 41.24 C ATOM 447 CG PRO A1177 1.208 7.943 6.872 1.00 60.34 C ATOM 448 CD PRO A1177 1.231 6.505 6.444 1.00 32.13 C ATOM 0 HA PRO A1177 1.887 6.130 9.531 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.188 8.787 8.840 1.00 41.24 H new ATOM 0 HB3 PRO A1177 2.715 8.056 8.390 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.211 8.368 6.759 1.00 60.34 H new ATOM 0 HG3 PRO A1177 1.882 8.543 6.260 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.505 6.306 5.655 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.208 6.214 6.059 1.00 32.13 H new ATOM 456 N LYS A1178 -1.246 6.962 9.106 1.00 31.54 N ATOM 457 CA LYS A1178 -2.514 7.169 9.818 1.00 31.40 C ATOM 458 C LYS A1178 -2.833 6.035 10.801 1.00 61.44 C ATOM 459 O LYS A1178 -3.636 6.220 11.719 1.00 21.41 O ATOM 460 CB LYS A1178 -3.678 7.326 8.831 1.00 41.11 C ATOM 461 CG LYS A1178 -3.408 8.290 7.683 1.00 75.34 C ATOM 462 CD LYS A1178 -4.333 8.027 6.502 1.00 3.54 C ATOM 463 CE LYS A1178 -4.101 6.647 5.900 1.00 41.41 C ATOM 464 NZ LYS A1178 -5.004 6.380 4.745 1.00 34.11 N ATOM 0 H LYS A1178 -1.336 6.950 8.090 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.392 8.087 10.393 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -3.921 6.347 8.417 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -4.557 7.669 9.377 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -3.541 9.315 8.029 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -2.371 8.194 7.362 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -5.370 8.113 6.826 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -4.174 8.788 5.738 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -3.064 6.563 5.576 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -4.258 5.887 6.665 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -5.038 5.357 4.560 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -5.960 6.724 4.965 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -4.645 6.872 3.902 1.00 34.11 H new ATOM 478 N PHE A1179 -2.215 4.865 10.611 1.00 11.35 N ATOM 479 CA PHE A1179 -2.454 3.715 11.485 1.00 74.35 C ATOM 480 C PHE A1179 -1.227 3.379 12.341 1.00 71.33 C ATOM 481 O PHE A1179 -1.161 2.305 12.942 1.00 74.31 O ATOM 482 CB PHE A1179 -2.881 2.513 10.645 1.00 0.15 C ATOM 483 CG PHE A1179 -4.223 2.716 9.998 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.388 2.434 10.692 1.00 51.03 C ATOM 485 CD2 PHE A1179 -4.321 3.206 8.705 1.00 1.32 C ATOM 486 CE1 PHE A1179 -6.623 2.636 10.110 1.00 13.33 C ATOM 487 CE2 PHE A1179 -5.553 3.406 8.116 1.00 71.30 C ATOM 488 CZ PHE A1179 -6.706 3.120 8.819 1.00 40.42 C ATOM 0 H PHE A1179 -1.547 4.691 9.860 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.256 3.974 12.176 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.133 2.327 9.874 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.915 1.625 11.276 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -5.329 2.052 11.700 1.00 51.03 H new ATOM 0 HD2 PHE A1179 -3.422 3.434 8.152 1.00 1.32 H new ATOM 0 HE1 PHE A1179 -7.524 2.416 10.664 1.00 13.33 H new ATOM 0 HE2 PHE A1179 -5.615 3.786 7.107 1.00 71.30 H new ATOM 0 HZ PHE A1179 -7.671 3.274 8.360 1.00 40.42 H new ATOM 498 N GLY A1180 -0.268 4.311 12.413 1.00 52.42 N ATOM 499 CA GLY A1180 0.923 4.103 13.219 1.00 4.40 C ATOM 500 C GLY A1180 2.097 3.505 12.458 1.00 41.34 C ATOM 501 O GLY A1180 3.169 3.318 13.036 1.00 12.42 O ATOM 0 H GLY A1180 -0.300 5.206 11.925 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.230 5.058 13.646 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.673 3.447 14.053 1.00 4.40 H new ATOM 505 N GLY A1181 1.912 3.195 11.171 1.00 31.22 N ATOM 506 CA GLY A1181 2.987 2.615 10.391 1.00 64.50 C ATOM 507 C GLY A1181 4.041 3.625 9.983 1.00 12.03 C ATOM 508 O GLY A1181 3.918 4.819 10.266 1.00 23.53 O ATOM 0 H GLY A1181 1.039 3.336 10.662 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.459 1.821 10.969 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.570 2.153 9.496 1.00 64.50 H new ATOM 512 N ARG A1182 5.075 3.137 9.305 1.00 74.12 N ATOM 513 CA ARG A1182 6.167 3.986 8.836 1.00 3.32 C ATOM 514 C ARG A1182 6.031 4.304 7.343 1.00 71.10 C ATOM 515 O ARG A1182 6.724 5.188 6.836 1.00 62.21 O ATOM 516 CB ARG A1182 7.514 3.314 9.124 1.00 0.14 C ATOM 517 CG ARG A1182 8.724 4.162 8.757 1.00 43.10 C ATOM 518 CD ARG A1182 9.662 3.415 7.821 1.00 64.42 C ATOM 519 NE ARG A1182 9.245 3.515 6.420 1.00 41.53 N ATOM 520 CZ ARG A1182 10.091 3.566 5.385 1.00 41.12 C ATOM 521 NH1 ARG A1182 11.407 3.525 5.579 1.00 53.13 N ATOM 522 NH2 ARG A1182 9.615 3.655 4.148 1.00 71.21 N ATOM 0 H ARG A1182 5.180 2.151 9.066 1.00 74.12 H new ATOM 0 HA ARG A1182 6.118 4.931 9.377 1.00 3.32 H new ATOM 0 HB2 ARG A1182 7.565 3.067 10.184 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.563 2.374 8.575 1.00 0.14 H new ATOM 0 HG2 ARG A1182 8.393 5.085 8.282 1.00 43.10 H new ATOM 0 HG3 ARG A1182 9.260 4.445 9.663 1.00 43.10 H new ATOM 0 HD2 ARG A1182 10.671 3.814 7.927 1.00 64.42 H new ATOM 0 HD3 ARG A1182 9.702 2.365 8.112 1.00 64.42 H new ATOM 0 HE ARG A1182 8.245 3.548 6.221 1.00 41.53 H new ATOM 0 HH11 ARG A1182 11.781 3.454 6.525 1.00 53.13 H new ATOM 0 HH12 ARG A1182 12.042 3.565 4.781 1.00 53.13 H new ATOM 0 HH21 ARG A1182 8.608 3.684 3.990 1.00 71.21 H new ATOM 0 HH22 ARG A1182 10.257 3.694 3.356 1.00 71.21 H new ATOM 536 N ASN A1183 5.147 3.581 6.640 1.00 41.43 N ATOM 537 CA ASN A1183 4.930 3.783 5.207 1.00 51.41 C ATOM 538 C ASN A1183 5.992 3.048 4.391 1.00 55.15 C ATOM 539 O ASN A1183 6.725 3.648 3.601 1.00 54.11 O ATOM 540 CB ASN A1183 4.902 5.277 4.848 1.00 4.35 C ATOM 541 CG ASN A1183 4.033 5.566 3.636 1.00 5.11 C ATOM 542 OD1 ASN A1183 2.845 5.860 3.768 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.621 5.482 2.447 1.00 30.02 N ATOM 0 H ASN A1183 4.569 2.847 7.048 1.00 41.43 H new ATOM 0 HA ASN A1183 3.955 3.366 4.957 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.532 5.846 5.701 1.00 4.35 H new ATOM 0 HB3 ASN A1183 5.918 5.620 4.653 1.00 4.35 H new ATOM 0 HD21 ASN A1183 4.085 5.664 1.599 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.609 5.235 2.383 1.00 30.02 H new ATOM 550 N ILE A1184 6.047 1.729 4.587 1.00 40.13 N ATOM 551 CA ILE A1184 6.987 0.866 3.881 1.00 12.01 C ATOM 552 C ILE A1184 6.301 0.181 2.694 1.00 42.13 C ATOM 553 O ILE A1184 6.941 -0.128 1.689 1.00 61.31 O ATOM 554 CB ILE A1184 7.598 -0.195 4.834 1.00 12.40 C ATOM 555 CG1 ILE A1184 9.125 -0.129 4.779 1.00 34.52 C ATOM 556 CG2 ILE A1184 7.112 -1.605 4.506 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.765 0.078 6.129 1.00 24.03 C ATOM 0 H ILE A1184 5.440 1.233 5.240 1.00 40.13 H new ATOM 0 HA ILE A1184 7.797 1.491 3.505 1.00 12.01 H new ATOM 0 HB ILE A1184 7.263 0.035 5.846 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.506 -1.052 4.343 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.422 0.683 4.116 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.564 -2.316 5.197 1.00 50.22 H new ATOM 0 HG22 ILE A1184 6.027 -1.647 4.601 1.00 50.22 H new ATOM 0 HG23 ILE A1184 7.397 -1.860 3.485 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.849 0.115 6.016 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.413 1.016 6.559 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.497 -0.747 6.789 1.00 24.03 H new ATOM 569 N LYS A1185 4.990 -0.051 2.828 1.00 22.13 N ATOM 570 CA LYS A1185 4.197 -0.690 1.785 1.00 41.34 C ATOM 571 C LYS A1185 3.800 0.334 0.730 1.00 65.14 C ATOM 572 O LYS A1185 3.904 0.082 -0.471 1.00 73.52 O ATOM 573 CB LYS A1185 2.937 -1.325 2.387 1.00 2.33 C ATOM 574 CG LYS A1185 3.076 -2.802 2.724 1.00 2.30 C ATOM 575 CD LYS A1185 1.781 -3.358 3.300 1.00 72.33 C ATOM 576 CE LYS A1185 1.758 -4.880 3.279 1.00 71.00 C ATOM 577 NZ LYS A1185 1.275 -5.419 1.975 1.00 23.33 N ATOM 0 H LYS A1185 4.456 0.200 3.660 1.00 22.13 H new ATOM 0 HA LYS A1185 4.800 -1.470 1.320 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.669 -0.782 3.293 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.112 -1.201 1.685 1.00 2.33 H new ATOM 0 HG2 LYS A1185 3.347 -3.359 1.827 1.00 2.30 H new ATOM 0 HG3 LYS A1185 3.885 -2.940 3.441 1.00 2.30 H new ATOM 0 HD2 LYS A1185 1.659 -3.007 4.325 1.00 72.33 H new ATOM 0 HD3 LYS A1185 0.935 -2.974 2.729 1.00 72.33 H new ATOM 0 HE2 LYS A1185 2.760 -5.259 3.478 1.00 71.00 H new ATOM 0 HE3 LYS A1185 1.115 -5.243 4.081 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.147 -6.448 2.051 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 0.367 -4.974 1.730 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 1.974 -5.211 1.233 1.00 23.33 H new ATOM 591 N LYS A1186 3.345 1.495 1.205 1.00 53.34 N ATOM 592 CA LYS A1186 2.923 2.593 0.343 1.00 34.15 C ATOM 593 C LYS A1186 1.897 2.123 -0.690 1.00 12.40 C ATOM 594 O LYS A1186 2.090 2.292 -1.888 1.00 50.03 O ATOM 595 CB LYS A1186 4.126 3.243 -0.366 1.00 44.31 C ATOM 596 CG LYS A1186 5.461 3.060 0.345 1.00 44.13 C ATOM 597 CD LYS A1186 6.355 2.077 -0.399 1.00 34.02 C ATOM 598 CE LYS A1186 7.827 2.450 -0.286 1.00 63.44 C ATOM 599 NZ LYS A1186 8.310 2.428 1.125 1.00 13.23 N ATOM 0 H LYS A1186 3.260 1.698 2.201 1.00 53.34 H new ATOM 0 HA LYS A1186 2.454 3.342 0.982 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.205 2.828 -1.371 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.932 4.310 -0.476 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.966 4.022 0.428 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.289 2.702 1.360 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.203 1.074 0.000 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.067 2.049 -1.450 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.422 1.758 -0.882 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.981 3.445 -0.705 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.292 2.770 1.161 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.707 3.043 1.708 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.268 1.455 1.491 1.00 13.23 H new ATOM 613 N GLN A1187 0.809 1.519 -0.220 1.00 50.40 N ATOM 614 CA GLN A1187 -0.229 1.022 -1.123 1.00 53.33 C ATOM 615 C GLN A1187 -1.628 1.228 -0.545 1.00 74.03 C ATOM 616 O GLN A1187 -1.788 1.717 0.576 1.00 12.15 O ATOM 617 CB GLN A1187 0.006 -0.460 -1.445 1.00 3.24 C ATOM 618 CG GLN A1187 0.321 -1.320 -0.229 1.00 52.22 C ATOM 619 CD GLN A1187 1.105 -2.572 -0.586 1.00 55.31 C ATOM 620 OE1 GLN A1187 2.283 -2.692 -0.256 1.00 35.23 O ATOM 621 NE2 GLN A1187 0.456 -3.512 -1.266 1.00 25.41 N ATOM 0 H GLN A1187 0.622 1.362 0.770 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.167 1.599 -2.046 1.00 53.33 H new ATOM 0 HB2 GLN A1187 -0.881 -0.858 -1.938 1.00 3.24 H new ATOM 0 HB3 GLN A1187 0.829 -0.540 -2.156 1.00 3.24 H new ATOM 0 HG2 GLN A1187 0.891 -0.731 0.490 1.00 52.22 H new ATOM 0 HG3 GLN A1187 -0.610 -1.606 0.260 1.00 52.22 H new ATOM 0 HE21 GLN A1187 -0.522 -3.374 -1.521 1.00 25.41 H new ATOM 0 HE22 GLN A1187 0.936 -4.372 -1.533 1.00 25.41 H new ATOM 630 N CYS A1188 -2.639 0.870 -1.338 1.00 24.13 N ATOM 631 CA CYS A1188 -4.036 1.029 -0.944 1.00 3.24 C ATOM 632 C CYS A1188 -4.496 -0.064 0.018 1.00 43.41 C ATOM 633 O CYS A1188 -3.978 -1.180 0.009 1.00 40.23 O ATOM 634 CB CYS A1188 -4.942 1.060 -2.179 1.00 43.51 C ATOM 635 SG CYS A1188 -5.617 2.695 -2.557 1.00 5.43 S ATOM 0 H CYS A1188 -2.512 0.464 -2.265 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.112 1.980 -0.417 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -4.377 0.704 -3.040 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -5.767 0.364 -2.029 1.00 43.51 H new ATOM 0 HG CYS A1188 -6.367 2.621 -3.616 1.00 5.43 H new ATOM 641 N CYS A1189 -5.494 0.279 0.828 1.00 75.03 N ATOM 642 CA CYS A1189 -6.075 -0.655 1.794 1.00 5.21 C ATOM 643 C CYS A1189 -6.438 -1.989 1.126 1.00 3.23 C ATOM 644 O CYS A1189 -6.980 -2.014 0.020 1.00 42.41 O ATOM 645 CB CYS A1189 -7.314 -0.021 2.435 1.00 1.22 C ATOM 646 SG CYS A1189 -8.360 -1.170 3.354 1.00 22.22 S ATOM 0 H CYS A1189 -5.922 1.205 0.835 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.335 -0.864 2.567 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.992 0.773 3.108 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.912 0.447 1.653 1.00 1.22 H new ATOM 0 HG CYS A1189 -7.937 -1.256 4.580 1.00 22.22 H new ATOM 651 N LYS A1190 -6.140 -3.096 1.822 1.00 63.32 N ATOM 652 CA LYS A1190 -6.432 -4.456 1.343 1.00 34.02 C ATOM 653 C LYS A1190 -7.925 -4.639 1.053 1.00 55.43 C ATOM 654 O LYS A1190 -8.308 -5.364 0.133 1.00 3.24 O ATOM 655 CB LYS A1190 -5.995 -5.483 2.397 1.00 42.40 C ATOM 656 CG LYS A1190 -4.919 -6.447 1.928 1.00 41.11 C ATOM 657 CD LYS A1190 -3.536 -5.829 2.022 1.00 65.13 C ATOM 658 CE LYS A1190 -2.508 -6.637 1.243 1.00 71.24 C ATOM 659 NZ LYS A1190 -2.557 -6.349 -0.220 1.00 34.12 N ATOM 0 H LYS A1190 -5.688 -3.074 2.736 1.00 63.32 H new ATOM 0 HA LYS A1190 -5.879 -4.609 0.416 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -5.630 -4.951 3.276 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -6.867 -6.056 2.711 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.955 -7.354 2.531 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -5.117 -6.741 0.897 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -3.565 -4.809 1.638 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.235 -5.767 3.068 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -1.511 -6.415 1.622 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.683 -7.700 1.408 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -2.534 -7.243 -0.751 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -3.433 -5.836 -0.444 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -1.737 -5.767 -0.487 1.00 34.12 H new ATOM 673 N MET A1191 -8.755 -3.959 1.844 1.00 51.35 N ATOM 674 CA MET A1191 -10.209 -4.007 1.699 1.00 43.31 C ATOM 675 C MET A1191 -10.681 -3.047 0.602 1.00 42.42 C ATOM 676 O MET A1191 -11.800 -3.169 0.102 1.00 52.24 O ATOM 677 CB MET A1191 -10.871 -3.645 3.034 1.00 14.25 C ATOM 678 CG MET A1191 -12.366 -3.914 3.079 1.00 23.42 C ATOM 679 SD MET A1191 -12.779 -5.628 2.707 1.00 75.10 S ATOM 680 CE MET A1191 -14.163 -5.396 1.596 1.00 20.12 C ATOM 0 H MET A1191 -8.437 -3.358 2.605 1.00 51.35 H new ATOM 0 HA MET A1191 -10.497 -5.018 1.412 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.387 -4.209 3.832 1.00 14.25 H new ATOM 0 HB3 MET A1191 -10.697 -2.589 3.239 1.00 14.25 H new ATOM 0 HG2 MET A1191 -12.747 -3.660 4.068 1.00 23.42 H new ATOM 0 HG3 MET A1191 -12.870 -3.261 2.366 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.615 -6.362 1.371 1.00 20.12 H new ATOM 0 HE2 MET A1191 -14.904 -4.750 2.067 1.00 20.12 H new ATOM 0 HE3 MET A1191 -13.815 -4.934 0.672 1.00 20.12 H new ATOM 690 N ARG A1192 -9.824 -2.090 0.241 1.00 70.22 N ATOM 691 CA ARG A1192 -10.152 -1.105 -0.783 1.00 25.23 C ATOM 692 C ARG A1192 -9.410 -1.360 -2.102 1.00 34.10 C ATOM 693 O ARG A1192 -9.527 -0.567 -3.040 1.00 21.31 O ATOM 694 CB ARG A1192 -9.813 0.297 -0.267 1.00 33.42 C ATOM 695 CG ARG A1192 -10.984 1.267 -0.293 1.00 44.45 C ATOM 696 CD ARG A1192 -11.022 2.141 0.956 1.00 14.13 C ATOM 697 NE ARG A1192 -9.714 2.726 1.272 1.00 74.11 N ATOM 698 CZ ARG A1192 -9.543 3.923 1.843 1.00 43.31 C ATOM 699 NH1 ARG A1192 -10.588 4.686 2.150 1.00 72.34 N ATOM 700 NH2 ARG A1192 -8.315 4.360 2.103 1.00 41.14 N ATOM 0 H ARG A1192 -8.895 -1.979 0.646 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.219 -1.189 -0.989 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -9.444 0.217 0.755 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.001 0.707 -0.868 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -10.912 1.900 -1.178 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -11.917 0.709 -0.375 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -11.749 2.940 0.814 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -11.364 1.545 1.802 1.00 14.13 H new ATOM 0 HE ARG A1192 -8.881 2.184 1.041 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -11.534 4.360 1.950 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -10.444 5.597 2.585 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -7.508 3.783 1.867 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -8.180 5.272 2.538 1.00 41.14 H new ATOM 714 N LYS A1193 -8.651 -2.464 -2.180 1.00 12.22 N ATOM 715 CA LYS A1193 -7.903 -2.806 -3.392 1.00 53.34 C ATOM 716 C LYS A1193 -8.840 -3.072 -4.566 1.00 23.33 C ATOM 717 O LYS A1193 -9.682 -3.971 -4.516 1.00 10.03 O ATOM 718 CB LYS A1193 -7.018 -4.032 -3.141 1.00 52.02 C ATOM 719 CG LYS A1193 -5.590 -3.867 -3.637 1.00 53.24 C ATOM 720 CD LYS A1193 -4.731 -3.122 -2.626 1.00 44.42 C ATOM 721 CE LYS A1193 -3.872 -2.063 -3.297 1.00 34.02 C ATOM 722 NZ LYS A1193 -2.419 -2.302 -3.078 1.00 62.42 N ATOM 0 H LYS A1193 -8.541 -3.132 -1.417 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.273 -1.954 -3.647 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -7.000 -4.243 -2.072 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.465 -4.898 -3.629 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.156 -4.848 -3.832 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.593 -3.325 -4.583 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -5.371 -2.653 -1.879 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -4.092 -3.830 -2.099 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -4.080 -2.052 -4.367 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -4.140 -1.080 -2.910 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -1.873 -1.513 -3.479 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -2.229 -2.372 -2.058 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -2.139 -3.189 -3.544 1.00 62.42 H new ATOM 736 N CYS A1194 -8.667 -2.286 -5.626 1.00 72.22 N ATOM 737 CA CYS A1194 -9.469 -2.429 -6.835 1.00 10.42 C ATOM 738 C CYS A1194 -9.194 -3.776 -7.510 1.00 55.20 C ATOM 739 O CYS A1194 -8.041 -4.132 -7.768 1.00 0.11 O ATOM 740 CB CYS A1194 -9.166 -1.279 -7.798 1.00 74.32 C ATOM 741 SG CYS A1194 -10.016 -1.393 -9.387 1.00 0.41 S ATOM 0 H CYS A1194 -7.973 -1.539 -5.670 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.524 -2.395 -6.561 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.440 -0.339 -7.320 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.091 -1.244 -7.976 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.255 -1.736 -9.193 1.00 0.41 H new ATOM 746 N GLN A1195 -10.264 -4.520 -7.783 1.00 50.31 N ATOM 747 CA GLN A1195 -10.170 -5.839 -8.419 1.00 20.22 C ATOM 748 C GLN A1195 -10.190 -5.749 -9.953 1.00 15.11 C ATOM 749 O GLN A1195 -9.976 -6.753 -10.635 1.00 43.24 O ATOM 750 CB GLN A1195 -11.320 -6.729 -7.935 1.00 45.21 C ATOM 751 CG GLN A1195 -11.150 -8.200 -8.287 1.00 43.13 C ATOM 752 CD GLN A1195 -12.252 -8.713 -9.198 1.00 50.42 C ATOM 753 OE1 GLN A1195 -13.384 -8.925 -8.762 1.00 71.33 O ATOM 754 NE2 GLN A1195 -11.926 -8.917 -10.471 1.00 42.22 N ATOM 0 H GLN A1195 -11.219 -4.230 -7.572 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.213 -6.275 -8.131 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -11.411 -6.632 -6.853 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -12.253 -6.367 -8.367 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -10.185 -8.344 -8.773 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -11.137 -8.790 -7.371 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -10.976 -8.728 -10.791 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -12.626 -9.262 -11.128 1.00 42.22 H new ATOM 763 N ASN A1196 -10.446 -4.556 -10.493 1.00 31.31 N ATOM 764 CA ASN A1196 -10.493 -4.356 -11.943 1.00 53.34 C ATOM 765 C ASN A1196 -9.878 -3.007 -12.317 1.00 64.12 C ATOM 766 O ASN A1196 -10.528 -2.157 -12.929 1.00 45.42 O ATOM 767 CB ASN A1196 -11.940 -4.439 -12.443 1.00 22.42 C ATOM 768 CG ASN A1196 -12.587 -5.777 -12.138 1.00 75.25 C ATOM 769 OD1 ASN A1196 -13.267 -5.933 -11.123 1.00 22.25 O ATOM 770 ND2 ASN A1196 -12.378 -6.754 -13.015 1.00 70.22 N ATOM 0 H ASN A1196 -10.624 -3.713 -9.947 1.00 31.31 H new ATOM 0 HA ASN A1196 -9.912 -5.145 -12.421 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -12.526 -3.643 -11.983 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -11.959 -4.267 -13.519 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -12.788 -7.675 -12.860 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -11.808 -6.582 -13.843 1.00 70.22 H new ATOM 777 N LEU A1197 -8.616 -2.819 -11.932 1.00 41.12 N ATOM 778 CA LEU A1197 -7.895 -1.579 -12.205 1.00 72.14 C ATOM 779 C LEU A1197 -7.709 -1.338 -13.701 1.00 40.01 C ATOM 780 O LEU A1197 -7.572 -2.283 -14.482 1.00 52.43 O ATOM 781 CB LEU A1197 -6.537 -1.600 -11.507 1.00 60.33 C ATOM 782 CG LEU A1197 -6.559 -1.129 -10.053 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.180 -1.243 -9.439 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.067 0.303 -9.959 1.00 53.11 C ATOM 0 H LEU A1197 -8.070 -3.516 -11.426 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.497 -0.759 -11.814 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.143 -2.616 -11.540 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -5.846 -0.971 -12.068 1.00 60.33 H new ATOM 0 HG LEU A1197 -7.241 -1.771 -9.495 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -5.213 -0.904 -8.404 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.853 -2.282 -9.470 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.479 -0.625 -10.001 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -7.075 0.619 -8.916 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.412 0.960 -10.532 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.078 0.357 -10.362 1.00 53.11 H new