USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 334 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: A1155 CYS SG : rot -88:sc= -0.346 USER MOD Set 1.2: A1158 CYS SG : rot -54:sc= 2.08 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= 0.38 USER MOD Set 1.4: A1194 CYS SG : rot 43:sc= -2.66 USER MOD Set 2.1: A1172 ASN : amide:sc= -6.97! C(o=-15!,f=-24!) USER MOD Set 2.2: A1187 GLN : amide:sc= -7.97! C(o=-15!,f=-16!) USER MOD Set 3.1: A1167 CYS SG : rot -27:sc= -0.374 USER MOD Set 3.2: A1170 CYS SG : rot -86:sc= 0.75 USER MOD Set 3.3: A1173 CYS SG : rot 60:sc= -0.996! USER MOD Set 3.4: A1189 CYS SG : rot 98:sc= -0.924 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.3!) USER MOD Single : A1171 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A1176 LYS NZ :NH3+ 158:sc= 0.46 (180deg=-1.11) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.57) USER MOD Single : A1185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1188 CYS SG : rot 180:sc= 0 USER MOD Single : A1190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1191 MET CE :methyl -156:sc= -0.091 (180deg=-0.579) USER MOD Single : A1193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1195 GLN : amide:sc= -1.02 K(o=-1,f=-0.26) USER MOD Single : A1196 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 12.012 -0.635 2.946 1.00 0.00 N ATOM 179 CA ARG A1154 11.376 0.539 2.371 1.00 0.00 C ATOM 180 C ARG A1154 12.121 1.814 2.743 1.00 0.00 C ATOM 181 O ARG A1154 12.568 1.984 3.878 1.00 0.00 O ATOM 182 CB ARG A1154 9.919 0.627 2.829 1.00 0.00 C ATOM 183 CG ARG A1154 9.182 -0.703 2.761 1.00 0.00 C ATOM 184 CD ARG A1154 8.653 -1.123 4.124 1.00 0.00 C ATOM 185 NE ARG A1154 8.008 -0.017 4.828 1.00 0.00 N ATOM 186 CZ ARG A1154 7.551 -0.099 6.076 1.00 0.00 C ATOM 187 NH1 ARG A1154 7.665 -1.231 6.759 1.00 0.00 N ATOM 188 NH2 ARG A1154 6.979 0.955 6.642 1.00 0.00 N ATOM 0 HA ARG A1154 11.406 0.438 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.890 0.998 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.395 1.356 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.353 -0.624 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.853 -1.472 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A1154 7.940 -1.938 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A1154 9.475 -1.507 4.729 1.00 0.00 H new ATOM 0 HE ARG A1154 7.902 0.869 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A1154 8.105 -2.044 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A1154 7.313 -1.288 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A1154 6.889 1.828 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A1154 6.629 0.893 7.598 1.00 0.00 H new ATOM 202 N CYS A1155 12.252 2.699 1.767 1.00 0.00 N ATOM 203 CA CYS A1155 12.946 3.966 1.952 1.00 0.00 C ATOM 204 C CYS A1155 12.305 4.805 3.054 1.00 0.00 C ATOM 205 O CYS A1155 12.984 5.266 3.970 1.00 0.00 O ATOM 206 CB CYS A1155 12.961 4.744 0.637 1.00 0.00 C ATOM 207 SG CYS A1155 11.325 5.026 -0.079 1.00 0.00 S ATOM 0 H CYS A1155 11.882 2.561 0.827 1.00 0.00 H new ATOM 0 HA CYS A1155 13.969 3.748 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.443 5.707 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.572 4.203 -0.085 1.00 0.00 H new ATOM 0 HG CYS A1155 11.004 4.020 -0.837 1.00 0.00 H new ATOM 213 N GLY A1156 10.996 5.002 2.957 1.00 0.00 N ATOM 214 CA GLY A1156 10.289 5.786 3.953 1.00 0.00 C ATOM 215 C GLY A1156 10.130 7.243 3.551 1.00 0.00 C ATOM 216 O GLY A1156 9.940 8.107 4.407 1.00 0.00 O ATOM 0 H GLY A1156 10.411 4.633 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.304 5.350 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.826 5.732 4.900 1.00 0.00 H new ATOM 220 N GLN A1157 10.215 7.521 2.251 1.00 0.00 N ATOM 221 CA GLN A1157 10.085 8.890 1.758 1.00 0.00 C ATOM 222 C GLN A1157 9.572 8.921 0.319 1.00 0.00 C ATOM 223 O GLN A1157 9.765 9.906 -0.394 1.00 0.00 O ATOM 224 CB GLN A1157 11.431 9.611 1.846 1.00 0.00 C ATOM 225 CG GLN A1157 11.605 10.420 3.121 1.00 0.00 C ATOM 226 CD GLN A1157 12.376 11.706 2.895 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.588 11.686 2.676 1.00 0.00 O ATOM 228 NE2 GLN A1157 11.676 12.832 2.947 1.00 0.00 N ATOM 0 H GLN A1157 10.372 6.822 1.525 1.00 0.00 H new ATOM 0 HA GLN A1157 9.357 9.402 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.233 8.876 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.535 10.274 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A1157 10.624 10.656 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A1157 12.125 9.814 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A1157 10.673 12.801 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A1157 12.141 13.728 2.803 1.00 0.00 H new ATOM 237 N CYS A1158 8.907 7.850 -0.100 1.00 0.00 N ATOM 238 CA CYS A1158 8.357 7.773 -1.450 1.00 0.00 C ATOM 239 C CYS A1158 6.843 7.947 -1.407 1.00 0.00 C ATOM 240 O CYS A1158 6.249 8.017 -0.329 1.00 0.00 O ATOM 241 CB CYS A1158 8.726 6.437 -2.104 1.00 0.00 C ATOM 242 SG CYS A1158 8.021 4.999 -1.280 1.00 0.00 S ATOM 0 H CYS A1158 8.736 7.024 0.474 1.00 0.00 H new ATOM 0 HA CYS A1158 8.785 8.576 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.393 6.448 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.811 6.339 -2.119 1.00 0.00 H new ATOM 0 HG CYS A1158 8.338 5.022 -0.020 1.00 0.00 H new ATOM 248 N PRO A1159 6.194 8.026 -2.576 1.00 0.00 N ATOM 249 CA PRO A1159 4.743 8.202 -2.661 1.00 0.00 C ATOM 250 C PRO A1159 3.985 7.138 -1.876 1.00 0.00 C ATOM 251 O PRO A1159 2.903 7.395 -1.355 1.00 0.00 O ATOM 252 CB PRO A1159 4.463 8.091 -4.164 1.00 0.00 C ATOM 253 CG PRO A1159 5.746 8.502 -4.801 1.00 0.00 C ATOM 254 CD PRO A1159 6.816 7.954 -3.909 1.00 0.00 C ATOM 0 HA PRO A1159 4.413 9.147 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.186 7.075 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.641 8.740 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.831 8.101 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.817 9.587 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO A1159 7.082 6.932 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.730 8.546 -3.962 1.00 0.00 H new ATOM 262 N GLY A1160 4.564 5.945 -1.792 1.00 0.00 N ATOM 263 CA GLY A1160 3.936 4.859 -1.060 1.00 0.00 C ATOM 264 C GLY A1160 4.105 4.978 0.446 1.00 0.00 C ATOM 265 O GLY A1160 3.135 4.891 1.201 1.00 0.00 O ATOM 0 H GLY A1160 5.460 5.710 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.873 4.835 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.360 3.912 -1.393 1.00 0.00 H new ATOM 269 N CYS A1161 5.348 5.153 0.876 1.00 0.00 N ATOM 270 CA CYS A1161 5.684 5.257 2.289 1.00 0.00 C ATOM 271 C CYS A1161 5.003 6.448 2.961 1.00 0.00 C ATOM 272 O CYS A1161 4.776 6.435 4.171 1.00 0.00 O ATOM 273 CB CYS A1161 7.202 5.376 2.435 1.00 0.00 C ATOM 274 SG CYS A1161 8.100 3.851 2.067 1.00 0.00 S ATOM 0 H CYS A1161 6.152 5.227 0.253 1.00 0.00 H new ATOM 0 HA CYS A1161 5.322 4.357 2.787 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.559 6.164 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.435 5.686 3.454 1.00 0.00 H new ATOM 0 HG CYS A1161 8.772 3.479 3.116 1.00 0.00 H new ATOM 279 N GLN A1162 4.698 7.481 2.186 1.00 0.00 N ATOM 280 CA GLN A1162 4.067 8.681 2.734 1.00 0.00 C ATOM 281 C GLN A1162 2.555 8.527 2.906 1.00 0.00 C ATOM 282 O GLN A1162 1.882 9.475 3.309 1.00 0.00 O ATOM 283 CB GLN A1162 4.365 9.889 1.847 1.00 0.00 C ATOM 284 CG GLN A1162 3.678 9.838 0.493 1.00 0.00 C ATOM 285 CD GLN A1162 4.314 10.778 -0.510 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.637 11.608 -1.119 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.626 10.654 -0.688 1.00 0.00 N ATOM 0 H GLN A1162 4.875 7.515 1.182 1.00 0.00 H new ATOM 0 HA GLN A1162 4.493 8.835 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.056 10.796 2.367 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.442 9.960 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.715 8.819 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.626 10.095 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.148 9.953 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.110 11.260 -1.350 1.00 0.00 H new ATOM 296 N VAL A1163 2.015 7.350 2.600 1.00 0.00 N ATOM 297 CA VAL A1163 0.577 7.127 2.736 1.00 0.00 C ATOM 298 C VAL A1163 0.246 6.286 3.965 1.00 0.00 C ATOM 299 O VAL A1163 0.291 5.057 3.917 1.00 0.00 O ATOM 300 CB VAL A1163 -0.021 6.437 1.497 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.538 6.458 1.561 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.461 7.104 0.226 1.00 0.00 C ATOM 0 H VAL A1163 2.542 6.546 2.261 1.00 0.00 H new ATOM 0 HA VAL A1163 0.135 8.117 2.844 1.00 0.00 H new ATOM 0 HB VAL A1163 0.315 5.400 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.946 5.966 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.872 5.933 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.886 7.490 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.026 6.600 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.157 8.151 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.548 7.042 0.172 1.00 0.00 H new ATOM 312 N PRO A1164 -0.107 6.937 5.086 1.00 0.00 N ATOM 313 CA PRO A1164 -0.464 6.246 6.323 1.00 0.00 C ATOM 314 C PRO A1164 -1.929 5.811 6.333 1.00 0.00 C ATOM 315 O PRO A1164 -2.407 5.229 7.307 1.00 0.00 O ATOM 316 CB PRO A1164 -0.223 7.320 7.378 1.00 0.00 C ATOM 317 CG PRO A1164 -0.578 8.591 6.686 1.00 0.00 C ATOM 318 CD PRO A1164 -0.199 8.403 5.237 1.00 0.00 C ATOM 0 HA PRO A1164 0.107 5.330 6.475 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.843 7.159 8.260 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.814 7.324 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.642 8.804 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A1164 -0.042 9.434 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.948 8.828 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.748 8.890 5.005 1.00 0.00 H new ATOM 326 N GLU A1165 -2.638 6.111 5.246 1.00 0.00 N ATOM 327 CA GLU A1165 -4.050 5.766 5.130 1.00 0.00 C ATOM 328 C GLU A1165 -4.348 5.076 3.801 1.00 0.00 C ATOM 329 O GLU A1165 -3.447 4.841 2.995 1.00 0.00 O ATOM 330 CB GLU A1165 -4.898 7.032 5.245 1.00 0.00 C ATOM 331 CG GLU A1165 -4.535 8.096 4.221 1.00 0.00 C ATOM 332 CD GLU A1165 -4.492 9.489 4.818 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.565 10.009 5.189 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.385 10.059 4.912 1.00 0.00 O ATOM 0 H GLU A1165 -2.255 6.593 4.433 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.296 5.075 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.949 6.768 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.784 7.448 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.563 7.861 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.261 8.075 3.408 1.00 0.00 H new ATOM 341 N ASP A1166 -5.622 4.766 3.578 1.00 0.00 N ATOM 342 CA ASP A1166 -6.060 4.117 2.351 1.00 0.00 C ATOM 343 C ASP A1166 -6.537 5.163 1.347 1.00 0.00 C ATOM 344 O ASP A1166 -7.497 5.886 1.617 1.00 0.00 O ATOM 345 CB ASP A1166 -7.188 3.136 2.670 1.00 0.00 C ATOM 346 CG ASP A1166 -6.717 1.976 3.526 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.724 1.322 3.145 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.343 1.722 4.577 1.00 0.00 O ATOM 0 H ASP A1166 -6.374 4.957 4.240 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.225 3.572 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.990 3.663 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.606 2.752 1.740 1.00 0.00 H new ATOM 353 N CYS A1167 -5.870 5.256 0.190 1.00 0.00 N ATOM 354 CA CYS A1167 -6.257 6.231 -0.821 1.00 0.00 C ATOM 355 C CYS A1167 -7.762 6.175 -1.052 1.00 0.00 C ATOM 356 O CYS A1167 -8.426 7.209 -1.130 1.00 0.00 O ATOM 357 CB CYS A1167 -5.487 5.997 -2.120 1.00 0.00 C ATOM 358 SG CYS A1167 -5.913 4.470 -2.983 1.00 0.00 S ATOM 0 H CYS A1167 -5.071 4.674 -0.062 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.003 7.229 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.665 6.839 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.420 5.987 -1.898 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.335 3.590 -2.125 1.00 0.00 H new ATOM 364 N GLY A1168 -8.303 4.961 -1.107 1.00 0.00 N ATOM 365 CA GLY A1168 -9.735 4.808 -1.267 1.00 0.00 C ATOM 366 C GLY A1168 -10.211 4.747 -2.693 1.00 0.00 C ATOM 367 O GLY A1168 -11.380 5.019 -2.965 1.00 0.00 O ATOM 0 H GLY A1168 -7.779 4.088 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.048 3.897 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.232 5.640 -0.769 1.00 0.00 H new ATOM 371 N VAL A1169 -9.322 4.432 -3.611 1.00 0.00 N ATOM 372 CA VAL A1169 -9.699 4.388 -5.008 1.00 0.00 C ATOM 373 C VAL A1169 -9.007 3.269 -5.785 1.00 0.00 C ATOM 374 O VAL A1169 -9.386 2.977 -6.919 1.00 0.00 O ATOM 375 CB VAL A1169 -9.418 5.751 -5.636 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.195 6.814 -4.870 1.00 0.00 C ATOM 377 CG2 VAL A1169 -7.927 6.041 -5.597 1.00 0.00 C ATOM 0 H VAL A1169 -8.346 4.205 -3.420 1.00 0.00 H new ATOM 0 HA VAL A1169 -10.764 4.162 -5.062 1.00 0.00 H new ATOM 0 HB VAL A1169 -9.737 5.755 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.002 7.793 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.261 6.595 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -9.878 6.816 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -7.734 7.015 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.584 6.045 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.392 5.272 -6.154 1.00 0.00 H new ATOM 387 N CYS A1170 -8.024 2.612 -5.172 1.00 0.00 N ATOM 388 CA CYS A1170 -7.351 1.502 -5.829 1.00 0.00 C ATOM 389 C CYS A1170 -8.106 0.220 -5.499 1.00 0.00 C ATOM 390 O CYS A1170 -8.838 0.170 -4.521 1.00 0.00 O ATOM 391 CB CYS A1170 -5.883 1.402 -5.402 1.00 0.00 C ATOM 392 SG CYS A1170 -5.628 1.019 -3.657 1.00 0.00 S ATOM 0 H CYS A1170 -7.682 2.827 -4.235 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.351 1.665 -6.907 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.396 0.634 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.388 2.346 -5.629 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.637 2.120 -2.965 1.00 0.00 H new ATOM 398 N THR A1171 -7.956 -0.801 -6.324 1.00 0.00 N ATOM 399 CA THR A1171 -8.675 -2.066 -6.108 1.00 0.00 C ATOM 400 C THR A1171 -8.593 -2.529 -4.653 1.00 0.00 C ATOM 401 O THR A1171 -9.594 -2.934 -4.056 1.00 0.00 O ATOM 402 CB THR A1171 -8.138 -3.173 -7.030 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.291 -4.060 -6.318 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.353 -2.656 -8.213 1.00 0.00 C ATOM 0 H THR A1171 -7.351 -0.790 -7.145 1.00 0.00 H new ATOM 0 HA THR A1171 -9.721 -1.875 -6.348 1.00 0.00 H new ATOM 0 HB THR A1171 -9.029 -3.680 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A1171 -6.963 -4.756 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A1171 -7.008 -3.496 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.990 -2.012 -8.819 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.494 -2.086 -7.859 1.00 0.00 H new ATOM 412 N ASN A1172 -7.393 -2.482 -4.099 1.00 0.00 N ATOM 413 CA ASN A1172 -7.158 -2.917 -2.731 1.00 0.00 C ATOM 414 C ASN A1172 -7.941 -2.101 -1.712 1.00 0.00 C ATOM 415 O ASN A1172 -8.512 -2.648 -0.768 1.00 0.00 O ATOM 416 CB ASN A1172 -5.674 -2.822 -2.430 1.00 0.00 C ATOM 417 CG ASN A1172 -4.849 -3.653 -3.390 1.00 0.00 C ATOM 418 OD1 ASN A1172 -5.251 -4.744 -3.788 1.00 0.00 O ATOM 419 ND2 ASN A1172 -3.699 -3.136 -3.781 1.00 0.00 N ATOM 0 H ASN A1172 -6.559 -2.144 -4.580 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.505 -3.947 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.358 -1.780 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.489 -3.156 -1.409 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -3.108 -3.646 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -3.402 -2.227 -3.427 1.00 0.00 H new ATOM 426 N CYS A1173 -7.955 -0.798 -1.902 1.00 0.00 N ATOM 427 CA CYS A1173 -8.659 0.099 -0.994 1.00 0.00 C ATOM 428 C CYS A1173 -10.152 -0.011 -1.204 1.00 0.00 C ATOM 429 O CYS A1173 -10.919 -0.123 -0.256 1.00 0.00 O ATOM 430 CB CYS A1173 -8.207 1.540 -1.202 1.00 0.00 C ATOM 431 SG CYS A1173 -6.629 1.920 -0.415 1.00 0.00 S ATOM 0 H CYS A1173 -7.487 -0.330 -2.678 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.422 -0.194 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.127 1.737 -2.271 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -8.971 2.212 -0.810 1.00 0.00 H new ATOM 0 HG CYS A1173 -5.704 1.147 -0.901 1.00 0.00 H new ATOM 436 N LEU A1174 -10.556 -0.001 -2.457 1.00 0.00 N ATOM 437 CA LEU A1174 -11.952 -0.125 -2.802 1.00 0.00 C ATOM 438 C LEU A1174 -12.479 -1.464 -2.316 1.00 0.00 C ATOM 439 O LEU A1174 -13.677 -1.633 -2.087 1.00 0.00 O ATOM 440 CB LEU A1174 -12.116 0.050 -4.301 1.00 0.00 C ATOM 441 CG LEU A1174 -11.511 1.346 -4.821 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.488 1.359 -6.339 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.281 2.532 -4.255 1.00 0.00 C ATOM 0 H LEU A1174 -9.930 0.093 -3.257 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.538 0.653 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.650 -0.792 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.177 0.026 -4.550 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.476 1.421 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.052 2.295 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -10.890 0.522 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.506 1.269 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -11.847 3.459 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.324 2.470 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.224 2.517 -3.167 1.00 0.00 H new ATOM 455 N ASP A1175 -11.557 -2.400 -2.117 1.00 0.00 N ATOM 456 CA ASP A1175 -11.900 -3.712 -1.607 1.00 0.00 C ATOM 457 C ASP A1175 -12.297 -3.612 -0.128 1.00 0.00 C ATOM 458 O ASP A1175 -12.829 -4.563 0.444 1.00 0.00 O ATOM 459 CB ASP A1175 -10.715 -4.662 -1.787 1.00 0.00 C ATOM 460 CG ASP A1175 -10.840 -5.504 -3.042 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.921 -6.091 -3.258 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.858 -5.576 -3.810 1.00 0.00 O ATOM 0 H ASP A1175 -10.563 -2.268 -2.304 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.750 -4.106 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.792 -4.084 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.641 -5.316 -0.918 1.00 0.00 H new ATOM 467 N LYS A1176 -12.048 -2.442 0.483 1.00 0.00 N ATOM 468 CA LYS A1176 -12.389 -2.211 1.882 1.00 0.00 C ATOM 469 C LYS A1176 -13.877 -1.906 2.030 1.00 0.00 C ATOM 470 O LYS A1176 -14.524 -1.479 1.079 1.00 0.00 O ATOM 471 CB LYS A1176 -11.575 -1.038 2.419 1.00 0.00 C ATOM 472 CG LYS A1176 -10.123 -1.373 2.690 1.00 0.00 C ATOM 473 CD LYS A1176 -9.237 -0.182 2.391 1.00 0.00 C ATOM 474 CE LYS A1176 -7.772 -0.568 2.368 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.544 -1.865 1.673 1.00 0.00 N ATOM 0 H LYS A1176 -11.610 -1.644 0.022 1.00 0.00 H new ATOM 0 HA LYS A1176 -12.158 -3.112 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.621 -0.218 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -12.034 -0.682 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -10.001 -1.672 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.819 -2.222 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -9.516 0.247 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.399 0.590 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.199 0.215 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.399 -0.635 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.557 -1.917 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.736 -2.649 2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -8.180 -1.936 0.853 1.00 0.00 H new ATOM 489 N PRO A1177 -14.436 -2.108 3.232 1.00 0.00 N ATOM 490 CA PRO A1177 -15.853 -1.843 3.497 1.00 0.00 C ATOM 491 C PRO A1177 -16.186 -0.357 3.428 1.00 0.00 C ATOM 492 O PRO A1177 -17.290 0.025 3.042 1.00 0.00 O ATOM 493 CB PRO A1177 -16.062 -2.376 4.916 1.00 0.00 C ATOM 494 CG PRO A1177 -14.709 -2.352 5.540 1.00 0.00 C ATOM 495 CD PRO A1177 -13.730 -2.598 4.426 1.00 0.00 C ATOM 0 HA PRO A1177 -16.499 -2.314 2.756 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -16.764 -1.754 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.472 -3.386 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.519 -1.392 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.622 -3.118 6.311 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.795 -2.061 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -13.480 -3.655 4.338 1.00 0.00 H new ATOM 503 N LYS A1178 -15.221 0.476 3.803 1.00 0.00 N ATOM 504 CA LYS A1178 -15.410 1.922 3.783 1.00 0.00 C ATOM 505 C LYS A1178 -15.318 2.473 2.361 1.00 0.00 C ATOM 506 O LYS A1178 -15.703 3.616 2.106 1.00 0.00 O ATOM 507 CB LYS A1178 -14.371 2.604 4.673 1.00 0.00 C ATOM 508 CG LYS A1178 -12.939 2.396 4.207 1.00 0.00 C ATOM 509 CD LYS A1178 -11.947 2.661 5.328 1.00 0.00 C ATOM 510 CE LYS A1178 -11.179 3.954 5.101 1.00 0.00 C ATOM 511 NZ LYS A1178 -10.053 4.108 6.063 1.00 0.00 N ATOM 0 H LYS A1178 -14.301 0.175 4.124 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.408 2.134 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.581 3.673 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -14.472 2.225 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.817 1.375 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.728 3.059 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -12.477 2.714 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -11.247 1.829 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -10.791 3.972 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -11.858 4.801 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.555 5.002 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -10.425 4.117 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -9.391 3.313 5.953 1.00 0.00 H new ATOM 525 N PHE A1179 -14.808 1.662 1.438 1.00 0.00 N ATOM 526 CA PHE A1179 -14.671 2.081 0.048 1.00 0.00 C ATOM 527 C PHE A1179 -15.614 1.293 -0.860 1.00 0.00 C ATOM 528 O PHE A1179 -15.375 1.171 -2.060 1.00 0.00 O ATOM 529 CB PHE A1179 -13.225 1.907 -0.421 1.00 0.00 C ATOM 530 CG PHE A1179 -12.277 2.858 0.243 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.483 4.220 0.138 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.196 2.400 0.988 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.644 5.109 0.762 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.343 3.287 1.608 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.568 4.647 1.501 1.00 0.00 C ATOM 0 H PHE A1179 -14.484 0.714 1.628 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.940 3.136 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.905 0.884 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.179 2.051 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.315 4.590 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -11.023 1.338 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.823 6.171 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.501 2.921 2.176 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.907 5.346 1.992 1.00 0.00 H new ATOM 545 N GLY A1180 -16.689 0.762 -0.278 1.00 0.00 N ATOM 546 CA GLY A1180 -17.651 -0.004 -1.053 1.00 0.00 C ATOM 547 C GLY A1180 -17.327 -1.487 -1.101 1.00 0.00 C ATOM 548 O GLY A1180 -18.162 -2.298 -1.499 1.00 0.00 O ATOM 0 H GLY A1180 -16.910 0.849 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.644 0.132 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.685 0.388 -2.069 1.00 0.00 H new ATOM 552 N GLY A1181 -16.111 -1.842 -0.697 1.00 0.00 N ATOM 553 CA GLY A1181 -15.698 -3.234 -0.706 1.00 0.00 C ATOM 554 C GLY A1181 -16.352 -4.051 0.393 1.00 0.00 C ATOM 555 O GLY A1181 -17.539 -3.889 0.672 1.00 0.00 O ATOM 0 H GLY A1181 -15.403 -1.189 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -15.942 -3.674 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.615 -3.287 -0.596 1.00 0.00 H new ATOM 559 N ARG A1182 -15.579 -4.946 1.009 1.00 0.00 N ATOM 560 CA ARG A1182 -16.106 -5.802 2.069 1.00 0.00 C ATOM 561 C ARG A1182 -15.013 -6.287 3.026 1.00 0.00 C ATOM 562 O ARG A1182 -15.216 -7.255 3.759 1.00 0.00 O ATOM 563 CB ARG A1182 -16.803 -7.009 1.445 1.00 0.00 C ATOM 564 CG ARG A1182 -17.931 -6.634 0.500 1.00 0.00 C ATOM 565 CD ARG A1182 -18.715 -7.859 0.054 1.00 0.00 C ATOM 566 NE ARG A1182 -19.095 -7.783 -1.355 1.00 0.00 N ATOM 567 CZ ARG A1182 -19.647 -8.791 -2.028 1.00 0.00 C ATOM 568 NH1 ARG A1182 -19.885 -9.949 -1.426 1.00 0.00 N ATOM 569 NH2 ARG A1182 -19.962 -8.639 -3.307 1.00 0.00 N ATOM 0 H ARG A1182 -14.593 -5.096 0.794 1.00 0.00 H new ATOM 0 HA ARG A1182 -16.811 -5.208 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -16.068 -7.603 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -17.200 -7.641 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -18.602 -5.931 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.522 -6.125 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -18.115 -8.754 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -19.611 -7.958 0.666 1.00 0.00 H new ATOM 0 HE ARG A1182 -18.928 -6.908 -1.851 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -19.645 -10.071 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -20.308 -10.717 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -19.781 -7.751 -3.775 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -20.385 -9.410 -3.823 1.00 0.00 H new ATOM 583 N ASN A1183 -13.857 -5.626 3.020 1.00 0.00 N ATOM 584 CA ASN A1183 -12.753 -6.025 3.894 1.00 0.00 C ATOM 585 C ASN A1183 -12.405 -7.498 3.685 1.00 0.00 C ATOM 586 O ASN A1183 -11.858 -8.150 4.575 1.00 0.00 O ATOM 587 CB ASN A1183 -13.115 -5.792 5.364 1.00 0.00 C ATOM 588 CG ASN A1183 -11.953 -5.239 6.169 1.00 0.00 C ATOM 589 OD1 ASN A1183 -11.640 -5.738 7.249 1.00 0.00 O ATOM 590 ND2 ASN A1183 -11.308 -4.203 5.645 1.00 0.00 N ATOM 0 H ASN A1183 -13.660 -4.820 2.427 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.888 -5.413 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.955 -5.100 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -13.445 -6.732 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -10.519 -3.789 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -11.602 -3.821 4.746 1.00 0.00 H new ATOM 597 N ILE A1184 -12.741 -8.017 2.509 1.00 0.00 N ATOM 598 CA ILE A1184 -12.480 -9.412 2.185 1.00 0.00 C ATOM 599 C ILE A1184 -11.087 -9.596 1.606 1.00 0.00 C ATOM 600 O ILE A1184 -10.357 -10.508 1.994 1.00 0.00 O ATOM 601 CB ILE A1184 -13.538 -9.945 1.201 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.399 -9.281 -0.171 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.916 -9.678 1.764 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.430 -9.749 -1.176 1.00 0.00 C ATOM 0 H ILE A1184 -13.196 -7.490 1.764 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.538 -9.983 3.112 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.389 -11.017 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.483 -8.201 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.403 -9.483 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.671 -10.053 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -15.021 -10.183 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -15.051 -8.605 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.271 -9.237 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.333 -10.825 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.429 -9.523 -0.804 1.00 0.00 H new ATOM 616 N LYS A1185 -10.715 -8.719 0.685 1.00 0.00 N ATOM 617 CA LYS A1185 -9.401 -8.783 0.068 1.00 0.00 C ATOM 618 C LYS A1185 -8.401 -7.991 0.887 1.00 0.00 C ATOM 619 O LYS A1185 -7.241 -8.382 1.010 1.00 0.00 O ATOM 620 CB LYS A1185 -9.437 -8.225 -1.353 1.00 0.00 C ATOM 621 CG LYS A1185 -10.134 -9.129 -2.346 1.00 0.00 C ATOM 622 CD LYS A1185 -10.119 -8.539 -3.746 1.00 0.00 C ATOM 623 CE LYS A1185 -9.912 -9.614 -4.800 1.00 0.00 C ATOM 624 NZ LYS A1185 -10.137 -9.093 -6.178 1.00 0.00 N ATOM 0 H LYS A1185 -11.304 -7.957 0.350 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.100 -9.830 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -9.940 -7.258 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -8.416 -8.049 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -9.646 -10.104 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -11.164 -9.291 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -11.059 -8.020 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -9.324 -7.797 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -8.899 -10.008 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -10.593 -10.444 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -9.986 -9.857 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -11.112 -8.740 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -9.471 -8.318 -6.369 1.00 0.00 H new ATOM 638 N LYS A1186 -8.869 -6.872 1.445 1.00 0.00 N ATOM 639 CA LYS A1186 -8.026 -5.988 2.260 1.00 0.00 C ATOM 640 C LYS A1186 -6.542 -6.184 1.943 1.00 0.00 C ATOM 641 O LYS A1186 -5.762 -6.604 2.799 1.00 0.00 O ATOM 642 CB LYS A1186 -8.277 -6.242 3.746 1.00 0.00 C ATOM 643 CG LYS A1186 -8.169 -4.990 4.603 1.00 0.00 C ATOM 644 CD LYS A1186 -7.523 -5.285 5.948 1.00 0.00 C ATOM 645 CE LYS A1186 -6.372 -4.336 6.237 1.00 0.00 C ATOM 646 NZ LYS A1186 -5.379 -4.934 7.172 1.00 0.00 N ATOM 0 H LYS A1186 -9.833 -6.554 1.347 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.292 -4.959 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -9.271 -6.673 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.562 -6.982 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.584 -4.237 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -9.162 -4.570 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -8.270 -5.202 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -7.160 -6.313 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.877 -4.071 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.762 -3.412 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -4.610 -4.255 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -5.845 -5.164 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -4.987 -5.802 6.754 1.00 0.00 H new ATOM 660 N GLN A1187 -6.163 -5.892 0.702 1.00 0.00 N ATOM 661 CA GLN A1187 -4.780 -6.055 0.269 1.00 0.00 C ATOM 662 C GLN A1187 -3.961 -4.807 0.576 1.00 0.00 C ATOM 663 O GLN A1187 -4.448 -3.871 1.209 1.00 0.00 O ATOM 664 CB GLN A1187 -4.723 -6.351 -1.232 1.00 0.00 C ATOM 665 CG GLN A1187 -5.780 -7.336 -1.718 1.00 0.00 C ATOM 666 CD GLN A1187 -6.698 -6.743 -2.767 1.00 0.00 C ATOM 667 OE1 GLN A1187 -6.449 -6.864 -3.967 1.00 0.00 O ATOM 668 NE2 GLN A1187 -7.772 -6.104 -2.321 1.00 0.00 N ATOM 0 H GLN A1187 -6.793 -5.542 -0.020 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.354 -6.895 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -4.836 -5.415 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.736 -6.745 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -5.287 -8.217 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.375 -7.671 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -7.940 -6.027 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -8.430 -5.690 -2.981 1.00 0.00 H new ATOM 677 N CYS A1188 -2.714 -4.801 0.116 1.00 0.00 N ATOM 678 CA CYS A1188 -1.824 -3.669 0.334 1.00 0.00 C ATOM 679 C CYS A1188 -2.161 -2.531 -0.624 1.00 0.00 C ATOM 680 O CYS A1188 -2.040 -2.673 -1.840 1.00 0.00 O ATOM 681 CB CYS A1188 -0.366 -4.095 0.151 1.00 0.00 C ATOM 682 SG CYS A1188 0.455 -4.593 1.682 1.00 0.00 S ATOM 0 H CYS A1188 -2.298 -5.569 -0.411 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.962 -3.316 1.356 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.327 -4.924 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.189 -3.270 -0.295 1.00 0.00 H new ATOM 0 HG CYS A1188 1.682 -4.938 1.424 1.00 0.00 H new ATOM 688 N CYS A1189 -2.585 -1.402 -0.066 1.00 0.00 N ATOM 689 CA CYS A1189 -2.946 -0.235 -0.867 1.00 0.00 C ATOM 690 C CYS A1189 -1.874 0.069 -1.915 1.00 0.00 C ATOM 691 O CYS A1189 -0.692 0.199 -1.596 1.00 0.00 O ATOM 692 CB CYS A1189 -3.157 0.979 0.041 1.00 0.00 C ATOM 693 SG CYS A1189 -3.223 2.562 -0.833 1.00 0.00 S ATOM 0 H CYS A1189 -2.688 -1.269 0.940 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.876 -0.457 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.085 0.845 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.350 1.015 0.773 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.463 2.901 -1.024 1.00 0.00 H new ATOM 698 N LYS A1190 -2.306 0.182 -3.165 1.00 0.00 N ATOM 699 CA LYS A1190 -1.407 0.473 -4.275 1.00 0.00 C ATOM 700 C LYS A1190 -0.671 1.794 -4.056 1.00 0.00 C ATOM 701 O LYS A1190 0.510 1.916 -4.378 1.00 0.00 O ATOM 702 CB LYS A1190 -2.202 0.520 -5.582 1.00 0.00 C ATOM 703 CG LYS A1190 -3.073 -0.704 -5.800 1.00 0.00 C ATOM 704 CD LYS A1190 -3.346 -0.937 -7.277 1.00 0.00 C ATOM 705 CE LYS A1190 -3.739 -2.379 -7.546 1.00 0.00 C ATOM 706 NZ LYS A1190 -3.592 -2.737 -8.985 1.00 0.00 N ATOM 0 H LYS A1190 -3.283 0.075 -3.437 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.661 -0.320 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -2.831 1.410 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.509 0.617 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.583 -1.581 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.017 -0.579 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.143 -0.273 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.458 -0.686 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -3.120 -3.042 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.772 -2.537 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -3.870 -3.729 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -4.202 -2.121 -9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -2.601 -2.611 -9.275 1.00 0.00 H new ATOM 720 N MET A1191 -1.377 2.779 -3.508 1.00 0.00 N ATOM 721 CA MET A1191 -0.791 4.088 -3.245 1.00 0.00 C ATOM 722 C MET A1191 0.106 4.058 -2.011 1.00 0.00 C ATOM 723 O MET A1191 0.861 4.996 -1.764 1.00 0.00 O ATOM 724 CB MET A1191 -1.893 5.127 -3.046 1.00 0.00 C ATOM 725 CG MET A1191 -2.814 5.278 -4.244 1.00 0.00 C ATOM 726 SD MET A1191 -2.117 6.337 -5.526 1.00 0.00 S ATOM 727 CE MET A1191 -2.196 7.934 -4.720 1.00 0.00 C ATOM 0 H MET A1191 -2.357 2.694 -3.237 1.00 0.00 H new ATOM 0 HA MET A1191 -0.182 4.358 -4.108 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.487 4.851 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.435 6.092 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A1191 -3.022 4.294 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.767 5.692 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.217 8.721 -5.474 1.00 0.00 H new ATOM 0 HE2 MET A1191 -3.098 7.990 -4.111 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.321 8.064 -4.084 1.00 0.00 H new ATOM 737 N ARG A1192 0.008 2.984 -1.233 1.00 0.00 N ATOM 738 CA ARG A1192 0.800 2.840 -0.019 1.00 0.00 C ATOM 739 C ARG A1192 2.063 2.035 -0.275 1.00 0.00 C ATOM 740 O ARG A1192 3.094 2.251 0.360 1.00 0.00 O ATOM 741 CB ARG A1192 -0.027 2.143 1.050 1.00 0.00 C ATOM 742 CG ARG A1192 -0.997 3.070 1.755 1.00 0.00 C ATOM 743 CD ARG A1192 -1.888 2.320 2.731 1.00 0.00 C ATOM 744 NE ARG A1192 -1.684 2.762 4.105 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.274 2.200 5.158 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.109 1.180 4.994 1.00 0.00 N ATOM 747 NH2 ARG A1192 -2.029 2.657 6.377 1.00 0.00 N ATOM 0 H ARG A1192 -0.615 2.199 -1.424 1.00 0.00 H new ATOM 0 HA ARG A1192 1.087 3.837 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.584 1.325 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.643 1.700 1.787 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.440 3.840 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.616 3.579 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.932 2.465 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.685 1.251 2.660 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.053 3.547 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.301 0.823 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.558 0.753 5.804 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.388 3.440 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.481 2.226 7.184 1.00 0.00 H new ATOM 761 N LYS A1193 1.965 1.097 -1.202 1.00 0.00 N ATOM 762 CA LYS A1193 3.093 0.236 -1.542 1.00 0.00 C ATOM 763 C LYS A1193 4.321 1.067 -1.900 1.00 0.00 C ATOM 764 O LYS A1193 4.254 1.976 -2.727 1.00 0.00 O ATOM 765 CB LYS A1193 2.722 -0.690 -2.702 1.00 0.00 C ATOM 766 CG LYS A1193 2.475 0.043 -4.011 1.00 0.00 C ATOM 767 CD LYS A1193 3.445 -0.402 -5.094 1.00 0.00 C ATOM 768 CE LYS A1193 2.889 -0.136 -6.483 1.00 0.00 C ATOM 769 NZ LYS A1193 3.969 0.124 -7.475 1.00 0.00 N ATOM 0 H LYS A1193 1.116 0.910 -1.735 1.00 0.00 H new ATOM 0 HA LYS A1193 3.335 -0.372 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A1193 3.522 -1.416 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A1193 1.827 -1.252 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A1193 1.452 -0.137 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A1193 2.574 1.117 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A1193 4.392 0.123 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A1193 3.654 -1.466 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A1193 2.297 -0.992 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A1193 2.216 0.721 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 3.547 0.301 -8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 4.518 0.956 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 4.597 -0.703 -7.530 1.00 0.00 H new ATOM 783 N CYS A1194 5.435 0.753 -1.252 1.00 0.00 N ATOM 784 CA CYS A1194 6.683 1.473 -1.475 1.00 0.00 C ATOM 785 C CYS A1194 7.207 1.269 -2.894 1.00 0.00 C ATOM 786 O CYS A1194 7.020 0.214 -3.500 1.00 0.00 O ATOM 787 CB CYS A1194 7.736 1.036 -0.456 1.00 0.00 C ATOM 788 SG CYS A1194 9.364 1.782 -0.711 1.00 0.00 S ATOM 0 H CYS A1194 5.500 0.002 -0.565 1.00 0.00 H new ATOM 0 HA CYS A1194 6.478 2.536 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.385 1.289 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.835 -0.049 -0.494 1.00 0.00 H new ATOM 0 HG CYS A1194 9.225 3.046 -0.983 1.00 0.00 H new ATOM 793 N GLN A1195 7.856 2.305 -3.411 1.00 0.00 N ATOM 794 CA GLN A1195 8.413 2.293 -4.753 1.00 0.00 C ATOM 795 C GLN A1195 9.928 2.101 -4.729 1.00 0.00 C ATOM 796 O GLN A1195 10.507 1.554 -5.669 1.00 0.00 O ATOM 797 CB GLN A1195 8.079 3.616 -5.440 1.00 0.00 C ATOM 798 CG GLN A1195 6.755 3.594 -6.178 1.00 0.00 C ATOM 799 CD GLN A1195 6.569 4.794 -7.085 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.019 4.798 -8.231 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.902 5.823 -6.574 1.00 0.00 N ATOM 0 H GLN A1195 8.010 3.179 -2.908 1.00 0.00 H new ATOM 0 HA GLN A1195 7.977 1.457 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.057 4.409 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.874 3.863 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.690 2.682 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A1195 5.941 3.562 -5.454 1.00 0.00 H new ATOM 0 HE21 GLN A1195 5.546 5.777 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.745 6.659 -7.137 1.00 0.00 H new ATOM 810 N ASN A1196 10.568 2.568 -3.661 1.00 0.00 N ATOM 811 CA ASN A1196 12.013 2.461 -3.530 1.00 0.00 C ATOM 812 C ASN A1196 12.403 1.889 -2.174 1.00 0.00 C ATOM 813 O ASN A1196 12.118 2.477 -1.133 1.00 0.00 O ATOM 814 CB ASN A1196 12.660 3.836 -3.738 1.00 0.00 C ATOM 815 CG ASN A1196 14.103 3.891 -3.274 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.978 3.236 -3.842 1.00 0.00 O ATOM 817 ND2 ASN A1196 14.357 4.676 -2.234 1.00 0.00 N ATOM 0 H ASN A1196 10.106 3.024 -2.874 1.00 0.00 H new ATOM 0 HA ASN A1196 12.376 1.776 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.615 4.096 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.083 4.588 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A1196 15.308 4.755 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A1196 13.601 5.201 -1.794 1.00 0.00 H new ATOM 824 N LEU A1197 13.066 0.746 -2.199 1.00 0.00 N ATOM 825 CA LEU A1197 13.505 0.094 -0.976 1.00 0.00 C ATOM 826 C LEU A1197 14.965 -0.330 -1.094 1.00 0.00 C ATOM 827 O LEU A1197 15.467 -0.550 -2.196 1.00 0.00 O ATOM 828 CB LEU A1197 12.636 -1.131 -0.684 1.00 0.00 C ATOM 829 CG LEU A1197 11.178 -1.045 -1.151 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.908 -2.060 -2.244 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.227 -1.279 0.006 1.00 0.00 C ATOM 0 H LEU A1197 13.313 0.249 -3.055 1.00 0.00 H new ATOM 0 HA LEU A1197 13.406 0.805 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A1197 13.097 -2.000 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.643 -1.309 0.391 1.00 0.00 H new ATOM 0 HG LEU A1197 11.012 -0.043 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.868 -1.984 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.563 -1.863 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A1197 11.098 -3.064 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.199 -1.213 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.403 -2.269 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.395 -0.523 0.773 1.00 0.00 H new