USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=17 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= -1.51 K(o=-2.1,f=-6.6!) USER MOD Set 1.2: A1185 LYS NZ :NH3+ 150:sc= -0.434 (180deg=-1.27!) USER MOD Set 1.3: A1190 LYS NZ :NH3+ -170:sc= -0.177 (180deg=0) USER MOD Set 2.1: A1167 CYS SG : rot -160:sc= 0.12 USER MOD Set 2.2: A1170 CYS SG : rot -58:sc= 1.16 USER MOD Set 2.3: A1173 CYS SG : rot 50:sc= -1.98! USER MOD Set 2.4: A1176 LYS NZ :NH3+ 147:sc= 0.31 (180deg=-0.184) USER MOD Set 2.5: A1189 CYS SG : rot 88:sc= 0.433 USER MOD Set 3.1: A1155 CYS SG : rot -15:sc= -3.36! USER MOD Set 3.2: A1158 CYS SG : rot -67:sc= 1.27 USER MOD Set 3.3: A1161 CYS SG : rot 60:sc= -3.02! USER MOD Set 3.4: A1194 CYS SG : rot 41:sc= -0.0382 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.33) USER MOD Single : A1171 THR OG1 : rot -174:sc= -2.4! USER MOD Single : A1178 LYS NZ :NH3+ -144:sc= 0.203 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.316 K(o=-0.32,f=-4.9!) USER MOD Single : A1186 LYS NZ :NH3+ -172:sc= 0.35 (180deg=0.175) USER MOD Single : A1187 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A1188 CYS SG : rot 180:sc= -1.26 USER MOD Single : A1191 MET CE :methyl -129:sc= -0.0213 (180deg=-2.64!) USER MOD Single : A1193 LYS NZ :NH3+ -114:sc= -0.268 (180deg=-1.41!) USER MOD Single : A1195 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.77) USER MOD Single : A1196 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A1153 -6.608 2.922 -13.232 1.00 33.42 N ATOM 112 CA ARG A1153 -7.848 3.581 -12.850 1.00 41.43 C ATOM 113 C ARG A1153 -8.835 2.576 -12.270 1.00 11.15 C ATOM 114 O ARG A1153 -9.138 1.563 -12.901 1.00 31.14 O ATOM 115 CB ARG A1153 -8.469 4.259 -14.079 1.00 14.30 C ATOM 116 CG ARG A1153 -8.805 5.729 -13.892 1.00 73.14 C ATOM 117 CD ARG A1153 -7.590 6.533 -13.465 1.00 1.24 C ATOM 118 NE ARG A1153 -7.937 7.602 -12.526 1.00 23.40 N ATOM 119 CZ ARG A1153 -7.640 7.591 -11.221 1.00 2.31 C ATOM 120 NH1 ARG A1153 -6.989 6.564 -10.675 1.00 44.11 N ATOM 121 NH2 ARG A1153 -7.999 8.616 -10.456 1.00 74.32 N ATOM 0 HA ARG A1153 -7.625 4.329 -12.089 1.00 41.43 H new ATOM 0 HB2 ARG A1153 -7.780 4.162 -14.918 1.00 14.30 H new ATOM 0 HB3 ARG A1153 -9.379 3.724 -14.351 1.00 14.30 H new ATOM 0 HG2 ARG A1153 -9.200 6.133 -14.824 1.00 73.14 H new ATOM 0 HG3 ARG A1153 -9.590 5.830 -13.143 1.00 73.14 H new ATOM 0 HD2 ARG A1153 -6.860 5.868 -13.003 1.00 1.24 H new ATOM 0 HD3 ARG A1153 -7.114 6.965 -14.345 1.00 1.24 H new ATOM 0 HE ARG A1153 -8.440 8.411 -12.892 1.00 23.40 H new ATOM 0 HH11 ARG A1153 -6.710 5.772 -11.253 1.00 44.11 H new ATOM 0 HH12 ARG A1153 -6.770 6.571 -9.679 1.00 44.11 H new ATOM 0 HH21 ARG A1153 -8.499 9.406 -10.864 1.00 74.32 H new ATOM 0 HH22 ARG A1153 -7.775 8.613 -9.461 1.00 74.32 H new ATOM 135 N ARG A1154 -9.345 2.862 -11.077 1.00 52.40 N ATOM 136 CA ARG A1154 -10.309 1.975 -10.435 1.00 62.14 C ATOM 137 C ARG A1154 -11.585 1.892 -11.285 1.00 30.30 C ATOM 138 O ARG A1154 -12.033 2.901 -11.834 1.00 74.42 O ATOM 139 CB ARG A1154 -10.644 2.479 -9.026 1.00 45.41 C ATOM 140 CG ARG A1154 -11.177 3.906 -8.987 1.00 23.13 C ATOM 141 CD ARG A1154 -12.438 4.013 -8.142 1.00 3.20 C ATOM 142 NE ARG A1154 -12.168 3.804 -6.717 1.00 15.22 N ATOM 143 CZ ARG A1154 -13.119 3.633 -5.794 1.00 23.13 C ATOM 144 NH1 ARG A1154 -14.405 3.654 -6.137 1.00 2.55 N ATOM 145 NH2 ARG A1154 -12.781 3.445 -4.523 1.00 40.44 N ATOM 0 H ARG A1154 -9.109 3.695 -10.538 1.00 52.40 H new ATOM 0 HA ARG A1154 -9.871 0.980 -10.351 1.00 62.14 H new ATOM 0 HB2 ARG A1154 -11.383 1.814 -8.580 1.00 45.41 H new ATOM 0 HB3 ARG A1154 -9.748 2.420 -8.408 1.00 45.41 H new ATOM 0 HG2 ARG A1154 -10.412 4.569 -8.584 1.00 23.13 H new ATOM 0 HG3 ARG A1154 -11.389 4.243 -10.002 1.00 23.13 H new ATOM 0 HD2 ARG A1154 -12.887 4.996 -8.285 1.00 3.20 H new ATOM 0 HD3 ARG A1154 -13.166 3.277 -8.484 1.00 3.20 H new ATOM 0 HE ARG A1154 -11.195 3.788 -6.411 1.00 15.22 H new ATOM 0 HH11 ARG A1154 -14.671 3.801 -7.111 1.00 2.55 H new ATOM 0 HH12 ARG A1154 -15.125 3.523 -5.426 1.00 2.55 H new ATOM 0 HH21 ARG A1154 -11.797 3.431 -4.254 1.00 40.44 H new ATOM 0 HH22 ARG A1154 -13.505 3.314 -3.817 1.00 40.44 H new ATOM 159 N CYS A1155 -12.159 0.693 -11.408 1.00 23.05 N ATOM 160 CA CYS A1155 -13.369 0.489 -12.207 1.00 1.11 C ATOM 161 C CYS A1155 -14.555 1.293 -11.678 1.00 10.20 C ATOM 162 O CYS A1155 -15.279 1.915 -12.457 1.00 75.34 O ATOM 163 CB CYS A1155 -13.735 -0.995 -12.262 1.00 33.23 C ATOM 164 SG CYS A1155 -13.875 -1.789 -10.650 1.00 53.42 S ATOM 0 H CYS A1155 -11.804 -0.153 -10.963 1.00 23.05 H new ATOM 0 HA CYS A1155 -13.147 0.847 -13.212 1.00 1.11 H new ATOM 0 HB2 CYS A1155 -14.682 -1.104 -12.790 1.00 33.23 H new ATOM 0 HB3 CYS A1155 -12.981 -1.521 -12.848 1.00 33.23 H new ATOM 0 HG CYS A1155 -13.330 -1.032 -9.745 1.00 53.42 H new ATOM 169 N GLY A1156 -14.759 1.277 -10.358 1.00 23.42 N ATOM 170 CA GLY A1156 -15.867 2.009 -9.767 1.00 72.43 C ATOM 171 C GLY A1156 -17.092 1.139 -9.502 1.00 43.32 C ATOM 172 O GLY A1156 -18.065 1.612 -8.912 1.00 3.12 O ATOM 0 H GLY A1156 -14.177 0.770 -9.691 1.00 23.42 H new ATOM 0 HA2 GLY A1156 -15.538 2.457 -8.829 1.00 72.43 H new ATOM 0 HA3 GLY A1156 -16.148 2.827 -10.430 1.00 72.43 H new ATOM 176 N GLN A1157 -17.058 -0.123 -9.948 1.00 34.13 N ATOM 177 CA GLN A1157 -18.195 -1.033 -9.756 1.00 5.23 C ATOM 178 C GLN A1157 -17.832 -2.287 -8.947 1.00 54.32 C ATOM 179 O GLN A1157 -18.725 -3.028 -8.530 1.00 24.22 O ATOM 180 CB GLN A1157 -18.780 -1.439 -11.112 1.00 1.14 C ATOM 181 CG GLN A1157 -20.282 -1.222 -11.216 1.00 4.15 C ATOM 182 CD GLN A1157 -21.078 -2.265 -10.451 1.00 45.04 C ATOM 183 OE1 GLN A1157 -21.336 -3.357 -10.955 1.00 51.54 O ATOM 184 NE2 GLN A1157 -21.471 -1.932 -9.225 1.00 12.22 N ATOM 0 H GLN A1157 -16.264 -0.534 -10.439 1.00 34.13 H new ATOM 0 HA GLN A1157 -18.939 -0.486 -9.177 1.00 5.23 H new ATOM 0 HB2 GLN A1157 -18.284 -0.870 -11.898 1.00 1.14 H new ATOM 0 HB3 GLN A1157 -18.560 -2.491 -11.293 1.00 1.14 H new ATOM 0 HG2 GLN A1157 -20.529 -0.231 -10.836 1.00 4.15 H new ATOM 0 HG3 GLN A1157 -20.577 -1.243 -12.265 1.00 4.15 H new ATOM 0 HE21 GLN A1157 -21.235 -1.015 -8.845 1.00 12.22 H new ATOM 0 HE22 GLN A1157 -22.008 -2.593 -8.664 1.00 12.22 H new ATOM 193 N CYS A1158 -16.538 -2.535 -8.728 1.00 21.34 N ATOM 194 CA CYS A1158 -16.108 -3.713 -7.973 1.00 11.34 C ATOM 195 C CYS A1158 -16.350 -3.529 -6.471 1.00 1.24 C ATOM 196 O CYS A1158 -16.441 -2.401 -5.982 1.00 10.22 O ATOM 197 CB CYS A1158 -14.629 -4.018 -8.239 1.00 53.42 C ATOM 198 SG CYS A1158 -13.478 -2.904 -7.404 1.00 41.45 S ATOM 0 H CYS A1158 -15.777 -1.942 -9.059 1.00 21.34 H new ATOM 0 HA CYS A1158 -16.706 -4.559 -8.312 1.00 11.34 H new ATOM 0 HB2 CYS A1158 -14.419 -5.040 -7.925 1.00 53.42 H new ATOM 0 HB3 CYS A1158 -14.448 -3.971 -9.313 1.00 53.42 H new ATOM 0 HG CYS A1158 -13.583 -1.712 -7.912 1.00 41.45 H new ATOM 203 N PRO A1159 -16.465 -4.646 -5.720 1.00 13.34 N ATOM 204 CA PRO A1159 -16.706 -4.611 -4.268 1.00 52.32 C ATOM 205 C PRO A1159 -15.616 -3.862 -3.498 1.00 10.44 C ATOM 206 O PRO A1159 -15.893 -3.241 -2.470 1.00 34.34 O ATOM 207 CB PRO A1159 -16.730 -6.090 -3.864 1.00 33.14 C ATOM 208 CG PRO A1159 -17.006 -6.832 -5.127 1.00 53.42 C ATOM 209 CD PRO A1159 -16.377 -6.026 -6.226 1.00 42.13 C ATOM 0 HA PRO A1159 -17.627 -4.077 -4.033 1.00 52.32 H new ATOM 0 HB2 PRO A1159 -15.779 -6.395 -3.427 1.00 33.14 H new ATOM 0 HB3 PRO A1159 -17.500 -6.282 -3.117 1.00 33.14 H new ATOM 0 HG2 PRO A1159 -16.584 -7.836 -5.089 1.00 53.42 H new ATOM 0 HG3 PRO A1159 -18.078 -6.942 -5.289 1.00 53.42 H new ATOM 0 HD2 PRO A1159 -15.344 -6.325 -6.405 1.00 42.13 H new ATOM 0 HD3 PRO A1159 -16.911 -6.144 -7.169 1.00 42.13 H new ATOM 217 N GLY A1160 -14.384 -3.900 -4.016 1.00 75.21 N ATOM 218 CA GLY A1160 -13.285 -3.192 -3.376 1.00 43.32 C ATOM 219 C GLY A1160 -13.431 -1.689 -3.532 1.00 4.10 C ATOM 220 O GLY A1160 -13.113 -0.927 -2.618 1.00 54.55 O ATOM 0 H GLY A1160 -14.131 -4.407 -4.864 1.00 75.21 H new ATOM 0 HA2 GLY A1160 -13.252 -3.448 -2.317 1.00 43.32 H new ATOM 0 HA3 GLY A1160 -12.339 -3.515 -3.811 1.00 43.32 H new ATOM 224 N CYS A1161 -13.944 -1.271 -4.691 1.00 41.14 N ATOM 225 CA CYS A1161 -14.178 0.138 -4.989 1.00 54.42 C ATOM 226 C CYS A1161 -15.352 0.682 -4.171 1.00 32.30 C ATOM 227 O CYS A1161 -15.471 1.892 -3.973 1.00 53.41 O ATOM 228 CB CYS A1161 -14.445 0.331 -6.484 1.00 63.34 C ATOM 229 SG CYS A1161 -12.951 0.542 -7.479 1.00 42.02 S ATOM 0 H CYS A1161 -14.208 -1.902 -5.448 1.00 41.14 H new ATOM 0 HA CYS A1161 -13.281 0.694 -4.716 1.00 54.42 H new ATOM 0 HB2 CYS A1161 -14.999 -0.530 -6.857 1.00 63.34 H new ATOM 0 HB3 CYS A1161 -15.084 1.204 -6.618 1.00 63.34 H new ATOM 0 HG CYS A1161 -12.196 -0.509 -7.356 1.00 42.02 H new ATOM 234 N GLN A1162 -16.220 -0.222 -3.702 1.00 33.23 N ATOM 235 CA GLN A1162 -17.388 0.156 -2.913 1.00 41.33 C ATOM 236 C GLN A1162 -17.015 0.452 -1.460 1.00 43.34 C ATOM 237 O GLN A1162 -17.782 1.111 -0.757 1.00 22.15 O ATOM 238 CB GLN A1162 -18.442 -0.955 -2.959 1.00 63.42 C ATOM 239 CG GLN A1162 -19.126 -1.095 -4.311 1.00 70.05 C ATOM 240 CD GLN A1162 -19.729 -2.474 -4.521 1.00 21.00 C ATOM 241 OE1 GLN A1162 -20.407 -3.009 -3.643 1.00 64.12 O ATOM 242 NE2 GLN A1162 -19.488 -3.057 -5.692 1.00 3.02 N ATOM 0 H GLN A1162 -16.130 -1.226 -3.859 1.00 33.23 H new ATOM 0 HA GLN A1162 -17.798 1.066 -3.350 1.00 41.33 H new ATOM 0 HB2 GLN A1162 -17.969 -1.903 -2.701 1.00 63.42 H new ATOM 0 HB3 GLN A1162 -19.198 -0.758 -2.198 1.00 63.42 H new ATOM 0 HG2 GLN A1162 -19.910 -0.343 -4.397 1.00 70.05 H new ATOM 0 HG3 GLN A1162 -18.404 -0.894 -5.102 1.00 70.05 H new ATOM 0 HE21 GLN A1162 -18.921 -2.579 -6.392 1.00 3.02 H new ATOM 0 HE22 GLN A1162 -19.870 -3.982 -5.890 1.00 3.02 H new ATOM 251 N VAL A1163 -15.832 0.011 -1.013 1.00 50.22 N ATOM 252 CA VAL A1163 -15.395 0.301 0.350 1.00 63.43 C ATOM 253 C VAL A1163 -14.950 1.763 0.413 1.00 1.44 C ATOM 254 O VAL A1163 -13.975 2.149 -0.234 1.00 23.11 O ATOM 255 CB VAL A1163 -14.259 -0.643 0.812 1.00 1.13 C ATOM 256 CG1 VAL A1163 -13.611 -0.146 2.097 1.00 20.23 C ATOM 257 CG2 VAL A1163 -14.788 -2.056 0.997 1.00 45.33 C ATOM 0 H VAL A1163 -15.174 -0.538 -1.567 1.00 50.22 H new ATOM 0 HA VAL A1163 -16.229 0.132 1.032 1.00 63.43 H new ATOM 0 HB VAL A1163 -13.495 -0.651 0.035 1.00 1.13 H new ATOM 0 HG11 VAL A1163 -12.818 -0.832 2.393 1.00 20.23 H new ATOM 0 HG12 VAL A1163 -13.190 0.846 1.932 1.00 20.23 H new ATOM 0 HG13 VAL A1163 -14.361 -0.096 2.887 1.00 20.23 H new ATOM 0 HG21 VAL A1163 -13.977 -2.708 1.322 1.00 45.33 H new ATOM 0 HG22 VAL A1163 -15.576 -2.054 1.750 1.00 45.33 H new ATOM 0 HG23 VAL A1163 -15.190 -2.421 0.052 1.00 45.33 H new ATOM 267 N PRO A1164 -15.698 2.610 1.150 1.00 71.44 N ATOM 268 CA PRO A1164 -15.409 4.047 1.241 1.00 13.33 C ATOM 269 C PRO A1164 -14.269 4.419 2.190 1.00 5.30 C ATOM 270 O PRO A1164 -13.762 5.540 2.124 1.00 5.32 O ATOM 271 CB PRO A1164 -16.728 4.625 1.753 1.00 15.33 C ATOM 272 CG PRO A1164 -17.319 3.533 2.576 1.00 1.11 C ATOM 273 CD PRO A1164 -16.913 2.245 1.911 1.00 3.53 C ATOM 0 HA PRO A1164 -15.071 4.431 0.279 1.00 13.33 H new ATOM 0 HB2 PRO A1164 -16.564 5.525 2.346 1.00 15.33 H new ATOM 0 HB3 PRO A1164 -17.386 4.902 0.930 1.00 15.33 H new ATOM 0 HG2 PRO A1164 -16.952 3.575 3.601 1.00 1.11 H new ATOM 0 HG3 PRO A1164 -18.404 3.623 2.622 1.00 1.11 H new ATOM 0 HD2 PRO A1164 -16.707 1.464 2.643 1.00 3.53 H new ATOM 0 HD3 PRO A1164 -17.698 1.868 1.255 1.00 3.53 H new ATOM 281 N GLU A1165 -13.867 3.507 3.077 1.00 65.22 N ATOM 282 CA GLU A1165 -12.792 3.813 4.019 1.00 11.42 C ATOM 283 C GLU A1165 -11.924 2.598 4.339 1.00 40.05 C ATOM 284 O GLU A1165 -12.399 1.461 4.363 1.00 72.02 O ATOM 285 CB GLU A1165 -13.371 4.382 5.315 1.00 54.32 C ATOM 286 CG GLU A1165 -14.376 3.462 5.974 1.00 74.44 C ATOM 287 CD GLU A1165 -13.804 2.721 7.169 1.00 4.32 C ATOM 288 OE1 GLU A1165 -13.550 3.371 8.206 1.00 55.43 O ATOM 289 OE2 GLU A1165 -13.609 1.492 7.069 1.00 4.11 O ATOM 0 H GLU A1165 -14.260 2.570 3.162 1.00 65.22 H new ATOM 0 HA GLU A1165 -12.154 4.553 3.536 1.00 11.42 H new ATOM 0 HB2 GLU A1165 -12.557 4.580 6.013 1.00 54.32 H new ATOM 0 HB3 GLU A1165 -13.849 5.339 5.103 1.00 54.32 H new ATOM 0 HG2 GLU A1165 -15.240 4.045 6.294 1.00 74.44 H new ATOM 0 HG3 GLU A1165 -14.734 2.738 5.241 1.00 74.44 H new ATOM 296 N ASP A1166 -10.648 2.871 4.613 1.00 52.42 N ATOM 297 CA ASP A1166 -9.679 1.839 4.972 1.00 54.32 C ATOM 298 C ASP A1166 -10.145 1.066 6.203 1.00 24.20 C ATOM 299 O ASP A1166 -10.587 1.654 7.193 1.00 4.45 O ATOM 300 CB ASP A1166 -8.294 2.452 5.237 1.00 42.32 C ATOM 301 CG ASP A1166 -8.355 3.817 5.900 1.00 32.30 C ATOM 302 OD1 ASP A1166 -8.686 3.882 7.103 1.00 11.20 O ATOM 303 OD2 ASP A1166 -8.070 4.822 5.215 1.00 1.41 O ATOM 0 H ASP A1166 -10.259 3.814 4.592 1.00 52.42 H new ATOM 0 HA ASP A1166 -9.601 1.151 4.130 1.00 54.32 H new ATOM 0 HB2 ASP A1166 -7.720 1.775 5.869 1.00 42.32 H new ATOM 0 HB3 ASP A1166 -7.757 2.539 4.293 1.00 42.32 H new ATOM 308 N CYS A1167 -10.034 -0.259 6.127 1.00 33.35 N ATOM 309 CA CYS A1167 -10.433 -1.138 7.225 1.00 12.51 C ATOM 310 C CYS A1167 -9.664 -0.813 8.508 1.00 3.00 C ATOM 311 O CYS A1167 -10.220 -0.857 9.606 1.00 75.13 O ATOM 312 CB CYS A1167 -10.236 -2.607 6.839 1.00 20.21 C ATOM 313 SG CYS A1167 -8.532 -3.052 6.435 1.00 63.11 S ATOM 0 H CYS A1167 -9.669 -0.750 5.311 1.00 33.35 H new ATOM 0 HA CYS A1167 -11.492 -0.967 7.418 1.00 12.51 H new ATOM 0 HB2 CYS A1167 -10.577 -3.235 7.662 1.00 20.21 H new ATOM 0 HB3 CYS A1167 -10.870 -2.833 5.982 1.00 20.21 H new ATOM 0 HG CYS A1167 -8.524 -4.148 5.736 1.00 63.11 H new ATOM 318 N GLY A1168 -8.382 -0.469 8.348 1.00 61.35 N ATOM 319 CA GLY A1168 -7.546 -0.117 9.482 1.00 61.11 C ATOM 320 C GLY A1168 -6.870 -1.303 10.156 1.00 41.43 C ATOM 321 O GLY A1168 -6.094 -1.111 11.093 1.00 11.55 O ATOM 0 H GLY A1168 -7.909 -0.429 7.445 1.00 61.35 H new ATOM 0 HA2 GLY A1168 -6.779 0.582 9.149 1.00 61.11 H new ATOM 0 HA3 GLY A1168 -8.156 0.406 10.219 1.00 61.11 H new ATOM 325 N VAL A1169 -7.165 -2.527 9.705 1.00 5.14 N ATOM 326 CA VAL A1169 -6.570 -3.717 10.314 1.00 10.32 C ATOM 327 C VAL A1169 -5.629 -4.477 9.370 1.00 1.33 C ATOM 328 O VAL A1169 -4.825 -5.294 9.827 1.00 0.21 O ATOM 329 CB VAL A1169 -7.651 -4.686 10.840 1.00 14.13 C ATOM 330 CG1 VAL A1169 -8.395 -4.073 12.016 1.00 64.11 C ATOM 331 CG2 VAL A1169 -8.619 -5.074 9.729 1.00 34.30 C ATOM 0 H VAL A1169 -7.803 -2.717 8.932 1.00 5.14 H new ATOM 0 HA VAL A1169 -5.975 -3.344 11.147 1.00 10.32 H new ATOM 0 HB VAL A1169 -7.155 -5.593 11.186 1.00 14.13 H new ATOM 0 HG11 VAL A1169 -9.152 -4.772 12.372 1.00 64.11 H new ATOM 0 HG12 VAL A1169 -7.691 -3.860 12.821 1.00 64.11 H new ATOM 0 HG13 VAL A1169 -8.876 -3.147 11.700 1.00 64.11 H new ATOM 0 HG21 VAL A1169 -9.371 -5.757 10.124 1.00 34.30 H new ATOM 0 HG22 VAL A1169 -9.108 -4.179 9.344 1.00 34.30 H new ATOM 0 HG23 VAL A1169 -8.071 -5.564 8.924 1.00 34.30 H new ATOM 341 N CYS A1170 -5.719 -4.211 8.061 1.00 31.54 N ATOM 342 CA CYS A1170 -4.865 -4.879 7.084 1.00 20.33 C ATOM 343 C CYS A1170 -3.443 -4.320 7.136 1.00 31.20 C ATOM 344 O CYS A1170 -3.224 -3.168 7.510 1.00 41.54 O ATOM 345 CB CYS A1170 -5.451 -4.751 5.673 1.00 20.04 C ATOM 346 SG CYS A1170 -5.226 -3.130 4.911 1.00 33.30 S ATOM 0 H CYS A1170 -6.374 -3.540 7.660 1.00 31.54 H new ATOM 0 HA CYS A1170 -4.822 -5.938 7.337 1.00 20.33 H new ATOM 0 HB2 CYS A1170 -4.993 -5.505 5.034 1.00 20.04 H new ATOM 0 HB3 CYS A1170 -6.517 -4.974 5.715 1.00 20.04 H new ATOM 0 HG CYS A1170 -5.765 -2.218 5.664 1.00 33.30 H new ATOM 351 N THR A1171 -2.488 -5.163 6.760 1.00 13.53 N ATOM 352 CA THR A1171 -1.063 -4.799 6.757 1.00 51.14 C ATOM 353 C THR A1171 -0.770 -3.530 5.948 1.00 25.34 C ATOM 354 O THR A1171 0.194 -2.823 6.244 1.00 45.43 O ATOM 355 CB THR A1171 -0.211 -5.954 6.216 1.00 43.21 C ATOM 356 OG1 THR A1171 1.152 -5.577 6.122 1.00 64.41 O ATOM 357 CG2 THR A1171 -0.660 -6.443 4.857 1.00 25.44 C ATOM 0 H THR A1171 -2.672 -6.117 6.448 1.00 13.53 H new ATOM 0 HA THR A1171 -0.800 -4.595 7.795 1.00 51.14 H new ATOM 0 HB THR A1171 -0.339 -6.767 6.931 1.00 43.21 H new ATOM 0 HG1 THR A1171 1.660 -6.294 5.688 1.00 64.41 H new ATOM 0 HG21 THR A1171 -0.015 -7.260 4.533 1.00 25.44 H new ATOM 0 HG22 THR A1171 -1.689 -6.796 4.919 1.00 25.44 H new ATOM 0 HG23 THR A1171 -0.599 -5.626 4.138 1.00 25.44 H new ATOM 365 N ASN A1172 -1.591 -3.235 4.937 1.00 64.24 N ATOM 366 CA ASN A1172 -1.377 -2.039 4.121 1.00 51.03 C ATOM 367 C ASN A1172 -1.772 -0.793 4.908 1.00 13.52 C ATOM 368 O ASN A1172 -1.060 0.212 4.893 1.00 4.51 O ATOM 369 CB ASN A1172 -2.174 -2.119 2.814 1.00 22.23 C ATOM 370 CG ASN A1172 -1.274 -2.214 1.593 1.00 72.54 C ATOM 371 OD1 ASN A1172 -0.141 -1.732 1.603 1.00 70.45 O ATOM 372 ND2 ASN A1172 -1.777 -2.835 0.531 1.00 72.54 N ATOM 0 H ASN A1172 -2.398 -3.798 4.667 1.00 64.24 H new ATOM 0 HA ASN A1172 -0.318 -1.979 3.868 1.00 51.03 H new ATOM 0 HB2 ASN A1172 -2.832 -2.987 2.845 1.00 22.23 H new ATOM 0 HB3 ASN A1172 -2.811 -1.239 2.725 1.00 22.23 H new ATOM 0 HD21 ASN A1172 -1.219 -2.926 -0.318 1.00 72.54 H new ATOM 0 HD22 ASN A1172 -2.721 -3.220 0.565 1.00 72.54 H new ATOM 379 N CYS A1173 -2.897 -0.883 5.616 1.00 72.10 N ATOM 380 CA CYS A1173 -3.385 0.216 6.441 1.00 51.15 C ATOM 381 C CYS A1173 -2.439 0.451 7.613 1.00 32.02 C ATOM 382 O CYS A1173 -2.064 1.588 7.895 1.00 1.11 O ATOM 383 CB CYS A1173 -4.786 -0.097 6.972 1.00 10.14 C ATOM 384 SG CYS A1173 -6.105 0.111 5.754 1.00 43.23 S ATOM 0 H CYS A1173 -3.490 -1.713 5.633 1.00 72.10 H new ATOM 0 HA CYS A1173 -3.430 1.115 5.826 1.00 51.15 H new ATOM 0 HB2 CYS A1173 -4.803 -1.124 7.337 1.00 10.14 H new ATOM 0 HB3 CYS A1173 -4.991 0.548 7.826 1.00 10.14 H new ATOM 0 HG CYS A1173 -5.788 -0.515 4.660 1.00 43.23 H new ATOM 389 N LEU A1174 -2.044 -0.635 8.284 1.00 55.10 N ATOM 390 CA LEU A1174 -1.127 -0.546 9.420 1.00 75.13 C ATOM 391 C LEU A1174 0.204 0.074 9.008 1.00 24.23 C ATOM 392 O LEU A1174 0.824 0.797 9.787 1.00 21.32 O ATOM 393 CB LEU A1174 -0.893 -1.926 10.035 1.00 12.24 C ATOM 394 CG LEU A1174 -2.164 -2.688 10.406 1.00 14.22 C ATOM 395 CD1 LEU A1174 -1.835 -4.115 10.818 1.00 44.35 C ATOM 396 CD2 LEU A1174 -2.906 -1.959 11.512 1.00 44.31 C ATOM 0 H LEU A1174 -2.345 -1.583 8.059 1.00 55.10 H new ATOM 0 HA LEU A1174 -1.589 0.099 10.167 1.00 75.13 H new ATOM 0 HB2 LEU A1174 -0.318 -2.528 9.332 1.00 12.24 H new ATOM 0 HB3 LEU A1174 -0.282 -1.810 10.930 1.00 12.24 H new ATOM 0 HG LEU A1174 -2.812 -2.735 9.531 1.00 14.22 H new ATOM 0 HD11 LEU A1174 -2.754 -4.640 11.078 1.00 44.35 H new ATOM 0 HD12 LEU A1174 -1.345 -4.629 9.991 1.00 44.35 H new ATOM 0 HD13 LEU A1174 -1.169 -4.100 11.681 1.00 44.35 H new ATOM 0 HD21 LEU A1174 -3.810 -2.511 11.769 1.00 44.31 H new ATOM 0 HD22 LEU A1174 -2.266 -1.883 12.391 1.00 44.31 H new ATOM 0 HD23 LEU A1174 -3.175 -0.959 11.172 1.00 44.31 H new ATOM 408 N ASP A1175 0.635 -0.217 7.778 1.00 70.13 N ATOM 409 CA ASP A1175 1.895 0.314 7.267 1.00 70.13 C ATOM 410 C ASP A1175 1.820 1.825 7.060 1.00 61.50 C ATOM 411 O ASP A1175 2.837 2.512 7.125 1.00 5.34 O ATOM 412 CB ASP A1175 2.298 -0.381 5.965 1.00 65.04 C ATOM 413 CG ASP A1175 3.684 -0.992 6.054 1.00 40.44 C ATOM 414 OD1 ASP A1175 4.656 -0.230 6.237 1.00 22.11 O ATOM 415 OD2 ASP A1175 3.797 -2.230 5.947 1.00 32.31 O ATOM 0 H ASP A1175 0.131 -0.814 7.123 1.00 70.13 H new ATOM 0 HA ASP A1175 2.660 0.112 8.017 1.00 70.13 H new ATOM 0 HB2 ASP A1175 1.573 -1.160 5.730 1.00 65.04 H new ATOM 0 HB3 ASP A1175 2.270 0.338 5.146 1.00 65.04 H new ATOM 420 N LYS A1176 0.608 2.343 6.835 1.00 62.33 N ATOM 421 CA LYS A1176 0.412 3.777 6.650 1.00 41.01 C ATOM 422 C LYS A1176 0.660 4.510 7.966 1.00 53.14 C ATOM 423 O LYS A1176 0.386 3.973 9.041 1.00 31.05 O ATOM 424 CB LYS A1176 -1.007 4.069 6.151 1.00 50.13 C ATOM 425 CG LYS A1176 -1.269 3.589 4.732 1.00 60.51 C ATOM 426 CD LYS A1176 -2.755 3.602 4.403 1.00 3.32 C ATOM 427 CE LYS A1176 -3.116 2.512 3.406 1.00 44.32 C ATOM 428 NZ LYS A1176 -4.560 2.146 3.473 1.00 42.40 N ATOM 0 H LYS A1176 -0.247 1.789 6.777 1.00 62.33 H new ATOM 0 HA LYS A1176 1.122 4.129 5.902 1.00 41.01 H new ATOM 0 HB2 LYS A1176 -1.723 3.596 6.823 1.00 50.13 H new ATOM 0 HB3 LYS A1176 -1.186 5.143 6.200 1.00 50.13 H new ATOM 0 HG2 LYS A1176 -0.734 4.225 4.027 1.00 60.51 H new ATOM 0 HG3 LYS A1176 -0.877 2.579 4.610 1.00 60.51 H new ATOM 0 HD2 LYS A1176 -3.332 3.465 5.318 1.00 3.32 H new ATOM 0 HD3 LYS A1176 -3.030 4.575 3.995 1.00 3.32 H new ATOM 0 HE2 LYS A1176 -2.874 2.849 2.398 1.00 44.32 H new ATOM 0 HE3 LYS A1176 -2.509 1.628 3.601 1.00 44.32 H new ATOM 0 HZ1 LYS A1176 -4.895 1.879 2.525 1.00 42.40 H new ATOM 0 HZ2 LYS A1176 -4.685 1.344 4.123 1.00 42.40 H new ATOM 0 HZ3 LYS A1176 -5.109 2.960 3.817 1.00 42.40 H new ATOM 442 N PRO A1177 1.181 5.748 7.904 1.00 43.21 N ATOM 443 CA PRO A1177 1.462 6.548 9.103 1.00 21.41 C ATOM 444 C PRO A1177 0.224 6.754 9.976 1.00 70.01 C ATOM 445 O PRO A1177 0.314 6.716 11.204 1.00 21.51 O ATOM 446 CB PRO A1177 1.962 7.889 8.545 1.00 41.24 C ATOM 447 CG PRO A1177 1.547 7.903 7.112 1.00 60.34 C ATOM 448 CD PRO A1177 1.535 6.468 6.672 1.00 32.13 C ATOM 0 HA PRO A1177 2.184 6.053 9.753 1.00 21.41 H new ATOM 0 HB2 PRO A1177 1.526 8.727 9.088 1.00 41.24 H new ATOM 0 HB3 PRO A1177 3.044 7.975 8.641 1.00 41.24 H new ATOM 0 HG2 PRO A1177 0.562 8.355 6.995 1.00 60.34 H new ATOM 0 HG3 PRO A1177 2.241 8.490 6.510 1.00 60.34 H new ATOM 0 HD2 PRO A1177 0.807 6.295 5.880 1.00 32.13 H new ATOM 0 HD3 PRO A1177 2.506 6.156 6.287 1.00 32.13 H new ATOM 456 N LYS A1178 -0.930 6.977 9.334 1.00 31.54 N ATOM 457 CA LYS A1178 -2.194 7.197 10.042 1.00 31.40 C ATOM 458 C LYS A1178 -2.555 6.047 10.997 1.00 61.44 C ATOM 459 O LYS A1178 -3.346 6.235 11.922 1.00 21.41 O ATOM 460 CB LYS A1178 -3.335 7.424 9.041 1.00 41.11 C ATOM 461 CG LYS A1178 -3.657 6.206 8.185 1.00 75.34 C ATOM 462 CD LYS A1178 -4.717 6.521 7.139 1.00 3.54 C ATOM 463 CE LYS A1178 -6.123 6.401 7.710 1.00 41.41 C ATOM 464 NZ LYS A1178 -7.104 7.234 6.960 1.00 34.11 N ATOM 0 H LYS A1178 -1.012 7.010 8.318 1.00 31.54 H new ATOM 0 HA LYS A1178 -2.057 8.089 10.654 1.00 31.40 H new ATOM 0 HB2 LYS A1178 -4.231 7.719 9.587 1.00 41.11 H new ATOM 0 HB3 LYS A1178 -3.072 8.256 8.388 1.00 41.11 H new ATOM 0 HG2 LYS A1178 -2.750 5.857 7.691 1.00 75.34 H new ATOM 0 HG3 LYS A1178 -4.005 5.394 8.823 1.00 75.34 H new ATOM 0 HD2 LYS A1178 -4.564 7.531 6.758 1.00 3.54 H new ATOM 0 HD3 LYS A1178 -4.608 5.841 6.294 1.00 3.54 H new ATOM 0 HE2 LYS A1178 -6.438 5.358 7.682 1.00 41.41 H new ATOM 0 HE3 LYS A1178 -6.116 6.704 8.757 1.00 41.41 H new ATOM 0 HZ1 LYS A1178 -7.806 7.624 7.621 1.00 34.11 H new ATOM 0 HZ2 LYS A1178 -6.606 8.013 6.485 1.00 34.11 H new ATOM 0 HZ3 LYS A1178 -7.586 6.647 6.250 1.00 34.11 H new ATOM 478 N PHE A1179 -1.973 4.861 10.774 1.00 11.35 N ATOM 479 CA PHE A1179 -2.240 3.696 11.621 1.00 74.35 C ATOM 480 C PHE A1179 -1.019 3.313 12.465 1.00 71.33 C ATOM 481 O PHE A1179 -0.992 2.242 13.077 1.00 74.31 O ATOM 482 CB PHE A1179 -2.691 2.518 10.755 1.00 0.15 C ATOM 483 CG PHE A1179 -4.120 2.645 10.305 1.00 32.12 C ATOM 484 CD1 PHE A1179 -5.159 2.442 11.199 1.00 1.32 C ATOM 485 CD2 PHE A1179 -4.424 2.981 8.995 1.00 51.03 C ATOM 486 CE1 PHE A1179 -6.473 2.570 10.794 1.00 71.30 C ATOM 487 CE2 PHE A1179 -5.736 3.110 8.586 1.00 13.33 C ATOM 488 CZ PHE A1179 -6.762 2.905 9.487 1.00 40.42 C ATOM 0 H PHE A1179 -1.315 4.685 10.014 1.00 11.35 H new ATOM 0 HA PHE A1179 -3.039 3.958 12.314 1.00 74.35 H new ATOM 0 HB2 PHE A1179 -2.044 2.446 9.881 1.00 0.15 H new ATOM 0 HB3 PHE A1179 -2.572 1.592 11.317 1.00 0.15 H new ATOM 0 HD1 PHE A1179 -4.939 2.181 12.224 1.00 1.32 H new ATOM 0 HD2 PHE A1179 -3.625 3.144 8.286 1.00 51.03 H new ATOM 0 HE1 PHE A1179 -7.274 2.408 11.500 1.00 71.30 H new ATOM 0 HE2 PHE A1179 -5.960 3.371 7.562 1.00 13.33 H new ATOM 0 HZ PHE A1179 -7.789 3.007 9.169 1.00 40.42 H new ATOM 498 N GLY A1180 -0.019 4.201 12.515 1.00 52.42 N ATOM 499 CA GLY A1180 1.174 3.946 13.306 1.00 4.40 C ATOM 500 C GLY A1180 2.314 3.307 12.530 1.00 41.34 C ATOM 501 O GLY A1180 3.376 3.053 13.102 1.00 12.42 O ATOM 0 H GLY A1180 -0.018 5.092 12.019 1.00 52.42 H new ATOM 0 HA2 GLY A1180 1.522 4.887 13.731 1.00 4.40 H new ATOM 0 HA3 GLY A1180 0.910 3.297 14.141 1.00 4.40 H new ATOM 505 N GLY A1181 2.113 3.034 11.237 1.00 31.22 N ATOM 506 CA GLY A1181 3.156 2.417 10.443 1.00 64.50 C ATOM 507 C GLY A1181 4.265 3.376 10.062 1.00 12.03 C ATOM 508 O GLY A1181 4.207 4.567 10.376 1.00 23.53 O ATOM 0 H GLY A1181 1.248 3.230 10.733 1.00 31.22 H new ATOM 0 HA2 GLY A1181 3.582 1.583 11.000 1.00 64.50 H new ATOM 0 HA3 GLY A1181 2.716 2.003 9.536 1.00 64.50 H new ATOM 512 N ARG A1182 5.276 2.847 9.381 1.00 74.12 N ATOM 513 CA ARG A1182 6.420 3.645 8.943 1.00 3.32 C ATOM 514 C ARG A1182 6.357 3.966 7.445 1.00 71.10 C ATOM 515 O ARG A1182 7.295 4.553 6.899 1.00 62.21 O ATOM 516 CB ARG A1182 7.736 2.926 9.275 1.00 0.14 C ATOM 517 CG ARG A1182 7.816 1.503 8.739 1.00 43.10 C ATOM 518 CD ARG A1182 7.300 0.489 9.750 1.00 64.42 C ATOM 519 NE ARG A1182 6.395 -0.488 9.139 1.00 41.53 N ATOM 520 CZ ARG A1182 5.253 -0.912 9.693 1.00 41.12 C ATOM 521 NH1 ARG A1182 4.859 -0.457 10.882 1.00 53.13 N ATOM 522 NH2 ARG A1182 4.501 -1.805 9.056 1.00 71.21 N ATOM 0 H ARG A1182 5.328 1.863 9.118 1.00 74.12 H new ATOM 0 HA ARG A1182 6.381 4.590 9.485 1.00 3.32 H new ATOM 0 HB2 ARG A1182 8.566 3.504 8.869 1.00 0.14 H new ATOM 0 HB3 ARG A1182 7.863 2.903 10.357 1.00 0.14 H new ATOM 0 HG2 ARG A1182 7.235 1.428 7.820 1.00 43.10 H new ATOM 0 HG3 ARG A1182 8.849 1.268 8.484 1.00 43.10 H new ATOM 0 HD2 ARG A1182 8.144 -0.032 10.202 1.00 64.42 H new ATOM 0 HD3 ARG A1182 6.780 1.011 10.553 1.00 64.42 H new ATOM 0 HE ARG A1182 6.653 -0.871 8.230 1.00 41.53 H new ATOM 0 HH11 ARG A1182 5.430 0.224 11.382 1.00 53.13 H new ATOM 0 HH12 ARG A1182 3.986 -0.789 11.292 1.00 53.13 H new ATOM 0 HH21 ARG A1182 4.795 -2.165 8.148 1.00 71.21 H new ATOM 0 HH22 ARG A1182 3.630 -2.130 9.475 1.00 71.21 H new ATOM 536 N ASN A1183 5.260 3.583 6.778 1.00 41.43 N ATOM 537 CA ASN A1183 5.093 3.834 5.349 1.00 51.41 C ATOM 538 C ASN A1183 6.118 3.053 4.529 1.00 55.15 C ATOM 539 O ASN A1183 6.865 3.618 3.727 1.00 54.11 O ATOM 540 CB ASN A1183 5.185 5.337 5.046 1.00 4.35 C ATOM 541 CG ASN A1183 4.306 5.747 3.878 1.00 5.11 C ATOM 542 OD1 ASN A1183 3.231 6.315 4.066 1.00 72.14 O ATOM 543 ND2 ASN A1183 4.758 5.460 2.661 1.00 30.02 N ATOM 0 H ASN A1183 4.475 3.097 7.211 1.00 41.43 H new ATOM 0 HA ASN A1183 4.100 3.487 5.062 1.00 51.41 H new ATOM 0 HB2 ASN A1183 4.894 5.902 5.932 1.00 4.35 H new ATOM 0 HB3 ASN A1183 6.220 5.598 4.827 1.00 4.35 H new ATOM 0 HD21 ASN A1183 4.208 5.712 1.840 1.00 30.02 H new ATOM 0 HD22 ASN A1183 5.655 4.988 2.548 1.00 30.02 H new ATOM 550 N ILE A1184 6.133 1.735 4.741 1.00 40.13 N ATOM 551 CA ILE A1184 7.042 0.838 4.034 1.00 12.01 C ATOM 552 C ILE A1184 6.338 0.166 2.852 1.00 42.13 C ATOM 553 O ILE A1184 6.970 -0.149 1.843 1.00 61.31 O ATOM 554 CB ILE A1184 7.623 -0.235 4.992 1.00 12.40 C ATOM 555 CG1 ILE A1184 9.149 -0.215 4.927 1.00 34.52 C ATOM 556 CG2 ILE A1184 7.093 -1.632 4.676 1.00 50.22 C ATOM 557 CD1 ILE A1184 9.801 -0.065 6.277 1.00 24.03 C ATOM 0 H ILE A1184 5.518 1.264 5.404 1.00 40.13 H new ATOM 0 HA ILE A1184 7.866 1.439 3.650 1.00 12.01 H new ATOM 0 HB ILE A1184 7.299 0.010 6.004 1.00 12.40 H new ATOM 0 HG12 ILE A1184 9.498 -1.138 4.463 1.00 34.52 H new ATOM 0 HG13 ILE A1184 9.468 0.606 4.284 1.00 34.52 H new ATOM 0 HG21 ILE A1184 7.526 -2.351 5.371 1.00 50.22 H new ATOM 0 HG22 ILE A1184 6.008 -1.640 4.775 1.00 50.22 H new ATOM 0 HG23 ILE A1184 7.367 -1.903 3.656 1.00 50.22 H new ATOM 0 HD11 ILE A1184 10.885 -0.058 6.159 1.00 24.03 H new ATOM 0 HD12 ILE A1184 9.480 0.871 6.734 1.00 24.03 H new ATOM 0 HD13 ILE A1184 9.511 -0.899 6.916 1.00 24.03 H new ATOM 569 N LYS A1185 5.026 -0.052 2.991 1.00 22.13 N ATOM 570 CA LYS A1185 4.228 -0.686 1.947 1.00 41.34 C ATOM 571 C LYS A1185 3.813 0.340 0.901 1.00 65.14 C ATOM 572 O LYS A1185 3.897 0.089 -0.303 1.00 73.52 O ATOM 573 CB LYS A1185 2.984 -1.351 2.552 1.00 2.33 C ATOM 574 CG LYS A1185 2.946 -2.862 2.380 1.00 2.30 C ATOM 575 CD LYS A1185 2.417 -3.556 3.631 1.00 72.33 C ATOM 576 CE LYS A1185 1.280 -4.520 3.317 1.00 71.00 C ATOM 577 NZ LYS A1185 1.548 -5.330 2.093 1.00 23.33 N ATOM 0 H LYS A1185 4.495 0.205 3.823 1.00 22.13 H new ATOM 0 HA LYS A1185 4.837 -1.452 1.467 1.00 41.34 H new ATOM 0 HB2 LYS A1185 2.939 -1.115 3.615 1.00 2.33 H new ATOM 0 HB3 LYS A1185 2.094 -0.921 2.092 1.00 2.33 H new ATOM 0 HG2 LYS A1185 2.315 -3.116 1.528 1.00 2.30 H new ATOM 0 HG3 LYS A1185 3.948 -3.229 2.156 1.00 2.30 H new ATOM 0 HD2 LYS A1185 3.229 -4.100 4.114 1.00 72.33 H new ATOM 0 HD3 LYS A1185 2.069 -2.806 4.341 1.00 72.33 H new ATOM 0 HE2 LYS A1185 1.127 -5.187 4.165 1.00 71.00 H new ATOM 0 HE3 LYS A1185 0.356 -3.958 3.183 1.00 71.00 H new ATOM 0 HZ1 LYS A1185 1.079 -6.254 2.179 1.00 23.33 H new ATOM 0 HZ2 LYS A1185 1.179 -4.831 1.259 1.00 23.33 H new ATOM 0 HZ3 LYS A1185 2.573 -5.470 1.987 1.00 23.33 H new ATOM 591 N LYS A1186 3.364 1.500 1.384 1.00 53.34 N ATOM 592 CA LYS A1186 2.925 2.598 0.530 1.00 34.15 C ATOM 593 C LYS A1186 1.933 2.107 -0.531 1.00 12.40 C ATOM 594 O LYS A1186 2.124 2.327 -1.724 1.00 50.03 O ATOM 595 CB LYS A1186 4.123 3.297 -0.139 1.00 44.31 C ATOM 596 CG LYS A1186 5.458 3.086 0.563 1.00 44.13 C ATOM 597 CD LYS A1186 6.338 2.106 -0.201 1.00 34.02 C ATOM 598 CE LYS A1186 7.813 2.465 -0.101 1.00 63.44 C ATOM 599 NZ LYS A1186 8.314 2.425 1.301 1.00 13.23 N ATOM 0 H LYS A1186 3.296 1.702 2.381 1.00 53.34 H new ATOM 0 HA LYS A1186 2.418 3.325 1.165 1.00 34.15 H new ATOM 0 HB2 LYS A1186 4.208 2.940 -1.165 1.00 44.31 H new ATOM 0 HB3 LYS A1186 3.920 4.367 -0.190 1.00 44.31 H new ATOM 0 HG2 LYS A1186 5.974 4.041 0.661 1.00 44.13 H new ATOM 0 HG3 LYS A1186 5.285 2.712 1.572 1.00 44.13 H new ATOM 0 HD2 LYS A1186 6.183 1.100 0.189 1.00 34.02 H new ATOM 0 HD3 LYS A1186 6.039 2.092 -1.249 1.00 34.02 H new ATOM 0 HE2 LYS A1186 8.394 1.774 -0.711 1.00 63.44 H new ATOM 0 HE3 LYS A1186 7.970 3.462 -0.512 1.00 63.44 H new ATOM 0 HZ1 LYS A1186 9.281 2.806 1.335 1.00 13.23 H new ATOM 0 HZ2 LYS A1186 7.694 2.999 1.908 1.00 13.23 H new ATOM 0 HZ3 LYS A1186 8.317 1.442 1.641 1.00 13.23 H new ATOM 613 N GLN A1187 0.881 1.431 -0.086 1.00 50.40 N ATOM 614 CA GLN A1187 -0.122 0.899 -1.007 1.00 53.33 C ATOM 615 C GLN A1187 -1.538 1.127 -0.490 1.00 74.03 C ATOM 616 O GLN A1187 -1.738 1.581 0.638 1.00 12.15 O ATOM 617 CB GLN A1187 0.116 -0.595 -1.238 1.00 3.24 C ATOM 618 CG GLN A1187 0.833 -0.902 -2.541 1.00 52.22 C ATOM 619 CD GLN A1187 -0.125 -1.097 -3.704 1.00 55.31 C ATOM 620 OE1 GLN A1187 -0.859 -0.182 -4.079 1.00 35.23 O ATOM 621 NE2 GLN A1187 -0.120 -2.293 -4.283 1.00 25.41 N ATOM 0 H GLN A1187 0.699 1.238 0.899 1.00 50.40 H new ATOM 0 HA GLN A1187 -0.021 1.433 -1.952 1.00 53.33 H new ATOM 0 HB2 GLN A1187 0.700 -0.994 -0.409 1.00 3.24 H new ATOM 0 HB3 GLN A1187 -0.843 -1.113 -1.230 1.00 3.24 H new ATOM 0 HG2 GLN A1187 1.520 -0.088 -2.774 1.00 52.22 H new ATOM 0 HG3 GLN A1187 1.435 -1.802 -2.417 1.00 52.22 H new ATOM 0 HE21 GLN A1187 0.505 -3.023 -3.940 1.00 25.41 H new ATOM 0 HE22 GLN A1187 -0.741 -2.481 -5.070 1.00 25.41 H new ATOM 630 N CYS A1188 -2.517 0.821 -1.342 1.00 24.13 N ATOM 631 CA CYS A1188 -3.928 1.004 -1.008 1.00 3.24 C ATOM 632 C CYS A1188 -4.452 -0.090 -0.074 1.00 43.41 C ATOM 633 O CYS A1188 -3.975 -1.225 -0.091 1.00 40.23 O ATOM 634 CB CYS A1188 -4.776 1.071 -2.281 1.00 43.51 C ATOM 635 SG CYS A1188 -4.772 -0.450 -3.260 1.00 5.43 S ATOM 0 H CYS A1188 -2.356 0.442 -2.275 1.00 24.13 H new ATOM 0 HA CYS A1188 -4.010 1.950 -0.473 1.00 3.24 H new ATOM 0 HB2 CYS A1188 -5.804 1.310 -2.007 1.00 43.51 H new ATOM 0 HB3 CYS A1188 -4.413 1.890 -2.902 1.00 43.51 H new ATOM 0 HG CYS A1188 -5.519 -0.291 -4.312 1.00 5.43 H new ATOM 641 N CYS A1189 -5.457 0.276 0.720 1.00 75.03 N ATOM 642 CA CYS A1189 -6.093 -0.652 1.659 1.00 5.21 C ATOM 643 C CYS A1189 -6.494 -1.962 0.968 1.00 3.23 C ATOM 644 O CYS A1189 -7.016 -1.954 -0.148 1.00 42.41 O ATOM 645 CB CYS A1189 -7.323 0.007 2.289 1.00 1.22 C ATOM 646 SG CYS A1189 -8.301 -1.093 3.334 1.00 22.22 S ATOM 0 H CYS A1189 -5.852 1.216 0.733 1.00 75.03 H new ATOM 0 HA CYS A1189 -5.370 -0.893 2.438 1.00 5.21 H new ATOM 0 HB2 CYS A1189 -6.999 0.861 2.884 1.00 1.22 H new ATOM 0 HB3 CYS A1189 -7.960 0.395 1.494 1.00 1.22 H new ATOM 0 HG CYS A1189 -7.840 -1.060 4.549 1.00 22.22 H new ATOM 651 N LYS A1190 -6.251 -3.085 1.658 1.00 63.32 N ATOM 652 CA LYS A1190 -6.582 -4.426 1.156 1.00 34.02 C ATOM 653 C LYS A1190 -8.077 -4.562 0.845 1.00 55.43 C ATOM 654 O LYS A1190 -8.462 -5.271 -0.087 1.00 3.24 O ATOM 655 CB LYS A1190 -6.190 -5.482 2.198 1.00 42.40 C ATOM 656 CG LYS A1190 -4.973 -6.309 1.820 1.00 41.11 C ATOM 657 CD LYS A1190 -3.690 -5.504 1.929 1.00 65.13 C ATOM 658 CE LYS A1190 -2.690 -5.913 0.861 1.00 71.24 C ATOM 659 NZ LYS A1190 -1.289 -5.857 1.359 1.00 34.12 N ATOM 0 H LYS A1190 -5.819 -3.089 2.582 1.00 63.32 H new ATOM 0 HA LYS A1190 -6.024 -4.579 0.233 1.00 34.02 H new ATOM 0 HB2 LYS A1190 -5.996 -4.984 3.148 1.00 42.40 H new ATOM 0 HB3 LYS A1190 -7.035 -6.152 2.356 1.00 42.40 H new ATOM 0 HG2 LYS A1190 -4.911 -7.182 2.469 1.00 41.11 H new ATOM 0 HG3 LYS A1190 -5.086 -6.677 0.800 1.00 41.11 H new ATOM 0 HD2 LYS A1190 -3.915 -4.442 1.832 1.00 65.13 H new ATOM 0 HD3 LYS A1190 -3.251 -5.648 2.916 1.00 65.13 H new ATOM 0 HE2 LYS A1190 -2.914 -6.925 0.523 1.00 71.24 H new ATOM 0 HE3 LYS A1190 -2.794 -5.257 -0.003 1.00 71.24 H new ATOM 0 HZ1 LYS A1190 -0.632 -5.977 0.562 1.00 34.12 H new ATOM 0 HZ2 LYS A1190 -1.118 -4.937 1.813 1.00 34.12 H new ATOM 0 HZ3 LYS A1190 -1.136 -6.618 2.051 1.00 34.12 H new ATOM 673 N MET A1191 -8.907 -3.865 1.623 1.00 51.35 N ATOM 674 CA MET A1191 -10.357 -3.884 1.436 1.00 43.31 C ATOM 675 C MET A1191 -10.792 -2.904 0.346 1.00 42.42 C ATOM 676 O MET A1191 -11.922 -2.973 -0.141 1.00 52.24 O ATOM 677 CB MET A1191 -11.065 -3.544 2.751 1.00 14.25 C ATOM 678 CG MET A1191 -11.326 -4.754 3.634 1.00 23.42 C ATOM 679 SD MET A1191 -12.897 -4.646 4.514 1.00 75.10 S ATOM 680 CE MET A1191 -14.057 -4.886 3.171 1.00 20.12 C ATOM 0 H MET A1191 -8.595 -3.276 2.395 1.00 51.35 H new ATOM 0 HA MET A1191 -10.638 -4.889 1.122 1.00 43.31 H new ATOM 0 HB2 MET A1191 -10.460 -2.825 3.304 1.00 14.25 H new ATOM 0 HB3 MET A1191 -12.014 -3.057 2.527 1.00 14.25 H new ATOM 0 HG2 MET A1191 -11.319 -5.655 3.021 1.00 23.42 H new ATOM 0 HG3 MET A1191 -10.516 -4.854 4.356 1.00 23.42 H new ATOM 0 HE1 MET A1191 -14.802 -4.090 3.187 1.00 20.12 H new ATOM 0 HE2 MET A1191 -13.523 -4.865 2.221 1.00 20.12 H new ATOM 0 HE3 MET A1191 -14.553 -5.850 3.287 1.00 20.12 H new ATOM 690 N ARG A1192 -9.899 -1.983 -0.026 1.00 70.22 N ATOM 691 CA ARG A1192 -10.207 -0.987 -1.044 1.00 25.23 C ATOM 692 C ARG A1192 -9.499 -1.263 -2.376 1.00 34.10 C ATOM 693 O ARG A1192 -9.675 -0.510 -3.336 1.00 21.31 O ATOM 694 CB ARG A1192 -9.824 0.409 -0.545 1.00 33.42 C ATOM 695 CG ARG A1192 -10.608 0.860 0.678 1.00 44.45 C ATOM 696 CD ARG A1192 -10.316 2.311 1.026 1.00 14.13 C ATOM 697 NE ARG A1192 -11.349 3.216 0.519 1.00 74.11 N ATOM 698 CZ ARG A1192 -11.301 3.828 -0.670 1.00 43.31 C ATOM 699 NH1 ARG A1192 -10.261 3.654 -1.483 1.00 72.34 N ATOM 700 NH2 ARG A1192 -12.299 4.620 -1.046 1.00 41.14 N ATOM 0 H ARG A1192 -8.960 -1.910 0.364 1.00 70.22 H new ATOM 0 HA ARG A1192 -11.280 -1.043 -1.225 1.00 25.23 H new ATOM 0 HB2 ARG A1192 -8.760 0.421 -0.308 1.00 33.42 H new ATOM 0 HB3 ARG A1192 -9.979 1.128 -1.350 1.00 33.42 H new ATOM 0 HG2 ARG A1192 -11.675 0.737 0.492 1.00 44.45 H new ATOM 0 HG3 ARG A1192 -10.357 0.224 1.527 1.00 44.45 H new ATOM 0 HD2 ARG A1192 -10.242 2.416 2.108 1.00 14.13 H new ATOM 0 HD3 ARG A1192 -9.349 2.596 0.611 1.00 14.13 H new ATOM 0 HE ARG A1192 -12.160 3.392 1.112 1.00 74.11 H new ATOM 0 HH11 ARG A1192 -9.490 3.049 -1.202 1.00 72.34 H new ATOM 0 HH12 ARG A1192 -10.236 4.126 -2.387 1.00 72.34 H new ATOM 0 HH21 ARG A1192 -13.099 4.760 -0.429 1.00 41.14 H new ATOM 0 HH22 ARG A1192 -12.265 5.088 -1.952 1.00 41.14 H new ATOM 714 N LYS A1193 -8.709 -2.345 -2.446 1.00 12.22 N ATOM 715 CA LYS A1193 -8.000 -2.702 -3.676 1.00 53.34 C ATOM 716 C LYS A1193 -8.984 -3.040 -4.791 1.00 23.33 C ATOM 717 O LYS A1193 -9.790 -3.966 -4.668 1.00 10.03 O ATOM 718 CB LYS A1193 -7.059 -3.885 -3.426 1.00 52.02 C ATOM 719 CG LYS A1193 -5.769 -3.827 -4.233 1.00 53.24 C ATOM 720 CD LYS A1193 -6.000 -4.186 -5.693 1.00 44.42 C ATOM 721 CE LYS A1193 -6.064 -5.693 -5.899 1.00 34.02 C ATOM 722 NZ LYS A1193 -7.455 -6.218 -5.789 1.00 62.42 N ATOM 0 H LYS A1193 -8.548 -2.983 -1.667 1.00 12.22 H new ATOM 0 HA LYS A1193 -7.409 -1.841 -3.988 1.00 53.34 H new ATOM 0 HB2 LYS A1193 -6.811 -3.922 -2.365 1.00 52.02 H new ATOM 0 HB3 LYS A1193 -7.583 -4.811 -3.663 1.00 52.02 H new ATOM 0 HG2 LYS A1193 -5.344 -2.825 -4.168 1.00 53.24 H new ATOM 0 HG3 LYS A1193 -5.039 -4.512 -3.801 1.00 53.24 H new ATOM 0 HD2 LYS A1193 -6.929 -3.732 -6.037 1.00 44.42 H new ATOM 0 HD3 LYS A1193 -5.197 -3.769 -6.302 1.00 44.42 H new ATOM 0 HE2 LYS A1193 -5.660 -5.941 -6.881 1.00 34.02 H new ATOM 0 HE3 LYS A1193 -5.432 -6.186 -5.160 1.00 34.02 H new ATOM 0 HZ1 LYS A1193 -7.528 -6.834 -4.955 1.00 62.42 H new ATOM 0 HZ2 LYS A1193 -8.119 -5.424 -5.692 1.00 62.42 H new ATOM 0 HZ3 LYS A1193 -7.689 -6.763 -6.643 1.00 62.42 H new ATOM 736 N CYS A1194 -8.900 -2.280 -5.882 1.00 72.22 N ATOM 737 CA CYS A1194 -9.765 -2.484 -7.037 1.00 10.42 C ATOM 738 C CYS A1194 -9.541 -3.868 -7.652 1.00 55.20 C ATOM 739 O CYS A1194 -8.412 -4.246 -7.970 1.00 0.11 O ATOM 740 CB CYS A1194 -9.502 -1.396 -8.079 1.00 74.32 C ATOM 741 SG CYS A1194 -10.469 -1.572 -9.591 1.00 0.41 S ATOM 0 H CYS A1194 -8.236 -1.513 -5.988 1.00 72.22 H new ATOM 0 HA CYS A1194 -10.802 -2.424 -6.707 1.00 10.42 H new ATOM 0 HB2 CYS A1194 -9.716 -0.424 -7.635 1.00 74.32 H new ATOM 0 HB3 CYS A1194 -8.443 -1.403 -8.336 1.00 74.32 H new ATOM 0 HG CYS A1194 -11.682 -1.931 -9.291 1.00 0.41 H new ATOM 746 N GLN A1195 -10.632 -4.616 -7.812 1.00 50.31 N ATOM 747 CA GLN A1195 -10.585 -5.965 -8.385 1.00 20.22 C ATOM 748 C GLN A1195 -10.747 -5.955 -9.910 1.00 15.11 C ATOM 749 O GLN A1195 -10.676 -7.006 -10.552 1.00 43.24 O ATOM 750 CB GLN A1195 -11.669 -6.840 -7.752 1.00 45.21 C ATOM 751 CG GLN A1195 -11.372 -7.222 -6.312 1.00 43.13 C ATOM 752 CD GLN A1195 -12.601 -7.169 -5.422 1.00 50.42 C ATOM 753 OE1 GLN A1195 -13.596 -7.849 -5.678 1.00 71.33 O ATOM 754 NE2 GLN A1195 -12.540 -6.360 -4.369 1.00 42.22 N ATOM 0 H GLN A1195 -11.569 -4.309 -7.551 1.00 50.31 H new ATOM 0 HA GLN A1195 -9.601 -6.378 -8.164 1.00 20.22 H new ATOM 0 HB2 GLN A1195 -12.621 -6.311 -7.791 1.00 45.21 H new ATOM 0 HB3 GLN A1195 -11.785 -7.748 -8.344 1.00 45.21 H new ATOM 0 HG2 GLN A1195 -10.954 -8.229 -6.287 1.00 43.13 H new ATOM 0 HG3 GLN A1195 -10.611 -6.551 -5.913 1.00 43.13 H new ATOM 0 HE21 GLN A1195 -11.696 -5.814 -4.193 1.00 42.22 H new ATOM 0 HE22 GLN A1195 -13.337 -6.285 -3.737 1.00 42.22 H new ATOM 763 N ASN A1196 -10.954 -4.769 -10.487 1.00 31.31 N ATOM 764 CA ASN A1196 -11.117 -4.623 -11.934 1.00 53.34 C ATOM 765 C ASN A1196 -10.439 -3.335 -12.393 1.00 64.12 C ATOM 766 O ASN A1196 -11.055 -2.464 -13.008 1.00 45.42 O ATOM 767 CB ASN A1196 -12.604 -4.614 -12.308 1.00 22.42 C ATOM 768 CG ASN A1196 -13.226 -5.996 -12.240 1.00 75.25 C ATOM 769 OD1 ASN A1196 -13.237 -6.733 -13.226 1.00 22.25 O ATOM 770 ND2 ASN A1196 -13.748 -6.358 -11.071 1.00 70.22 N ATOM 0 H ASN A1196 -11.013 -3.892 -9.970 1.00 31.31 H new ATOM 0 HA ASN A1196 -10.649 -5.470 -12.436 1.00 53.34 H new ATOM 0 HB2 ASN A1196 -13.141 -3.944 -11.637 1.00 22.42 H new ATOM 0 HB3 ASN A1196 -12.720 -4.216 -13.316 1.00 22.42 H new ATOM 0 HD21 ASN A1196 -14.178 -7.277 -10.967 1.00 70.22 H new ATOM 0 HD22 ASN A1196 -13.718 -5.717 -10.278 1.00 70.22 H new ATOM 777 N LEU A1197 -9.156 -3.233 -12.063 1.00 41.12 N ATOM 778 CA LEU A1197 -8.339 -2.070 -12.398 1.00 72.14 C ATOM 779 C LEU A1197 -8.215 -1.851 -13.899 1.00 40.01 C ATOM 780 O LEU A1197 -8.053 -2.800 -14.670 1.00 52.43 O ATOM 781 CB LEU A1197 -6.935 -2.250 -11.821 1.00 60.33 C ATOM 782 CG LEU A1197 -6.593 -1.402 -10.596 1.00 11.12 C ATOM 783 CD1 LEU A1197 -5.088 -1.304 -10.449 1.00 62.42 C ATOM 784 CD2 LEU A1197 -7.201 -0.010 -10.693 1.00 53.11 C ATOM 0 H LEU A1197 -8.650 -3.958 -11.553 1.00 41.12 H new ATOM 0 HA LEU A1197 -8.837 -1.200 -11.970 1.00 72.14 H new ATOM 0 HB2 LEU A1197 -6.805 -3.300 -11.558 1.00 60.33 H new ATOM 0 HB3 LEU A1197 -6.212 -2.026 -12.605 1.00 60.33 H new ATOM 0 HG LEU A1197 -7.016 -1.888 -9.717 1.00 11.12 H new ATOM 0 HD11 LEU A1197 -4.846 -0.699 -9.575 1.00 62.42 H new ATOM 0 HD12 LEU A1197 -4.669 -2.303 -10.326 1.00 62.42 H new ATOM 0 HD13 LEU A1197 -4.665 -0.840 -11.340 1.00 62.42 H new ATOM 0 HD21 LEU A1197 -6.937 0.565 -9.805 1.00 53.11 H new ATOM 0 HD22 LEU A1197 -6.816 0.494 -11.579 1.00 53.11 H new ATOM 0 HD23 LEU A1197 -8.286 -0.091 -10.764 1.00 53.11 H new