USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=15 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 -82:sc= -0.0913 USER MOD Set 1.2: A1158 CYS SG : rot -53:sc= 1.88 USER MOD Set 1.3: A1161 CYS SG : rot -120:sc= -0.372 USER MOD Set 1.4: A1194 CYS SG : rot 44:sc= -1.98 USER MOD Set 2.1: A1167 CYS SG : rot -29:sc= 0.564 USER MOD Set 2.2: A1170 CYS SG : rot -90:sc= 1.2 USER MOD Set 2.3: A1173 CYS SG : rot 60:sc= -1! USER MOD Set 2.4: A1189 CYS SG : rot 100:sc= -0.438 USER MOD Single : A1157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1162 GLN : amide:sc= -2.65! C(o=-2.6!,f=-2.2!) USER MOD Single : A1171 THR OG1 : rot 180:sc= 0 USER MOD Single : A1172 ASN :FLIP amide:sc= -3.63! F(o=-5.1,f=-3.6!) USER MOD Single : A1176 LYS NZ :NH3+ 161:sc= 0.534 (180deg=-0.734) USER MOD Single : A1178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1183 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.046) 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 : A1187 GLN : amide:sc= -0.374 K(o=-0.37,f=-0.89) 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 -155:sc= -0.108 (180deg=-0.564) USER MOD Single : A1193 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0951) USER MOD Single : A1195 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A1196 ASN :FLIP amide:sc= -0.443 F(o=-1.3,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 178 N ARG A1154 11.761 -0.519 3.085 1.00 0.00 N ATOM 179 CA ARG A1154 11.186 0.652 2.440 1.00 0.00 C ATOM 180 C ARG A1154 11.976 1.911 2.777 1.00 0.00 C ATOM 181 O ARG A1154 12.385 2.120 3.919 1.00 0.00 O ATOM 182 CB ARG A1154 9.723 0.816 2.856 1.00 0.00 C ATOM 183 CG ARG A1154 8.932 -0.483 2.809 1.00 0.00 C ATOM 184 CD ARG A1154 8.276 -0.789 4.146 1.00 0.00 C ATOM 185 NE ARG A1154 6.977 -0.138 4.285 1.00 0.00 N ATOM 186 CZ ARG A1154 6.088 -0.450 5.226 1.00 0.00 C ATOM 187 NH1 ARG A1154 6.354 -1.406 6.108 1.00 0.00 N ATOM 188 NH2 ARG A1154 4.930 0.193 5.285 1.00 0.00 N ATOM 0 HA ARG A1154 11.235 0.504 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A1154 9.684 1.220 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A1154 9.247 1.547 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A1154 8.167 -0.416 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A1154 9.595 -1.303 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A1154 8.153 -1.867 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A1154 8.932 -0.463 4.953 1.00 0.00 H new ATOM 0 HE ARG A1154 6.736 0.599 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A1154 7.243 -1.905 6.067 1.00 0.00 H new ATOM 0 HH12 ARG A1154 5.670 -1.641 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A1154 4.719 0.927 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A1154 4.250 -0.047 6.006 1.00 0.00 H new ATOM 202 N CYS A1155 12.193 2.736 1.763 1.00 0.00 N ATOM 203 CA CYS A1155 12.941 3.976 1.913 1.00 0.00 C ATOM 204 C CYS A1155 12.350 4.867 3.002 1.00 0.00 C ATOM 205 O CYS A1155 13.054 5.300 3.915 1.00 0.00 O ATOM 206 CB CYS A1155 12.973 4.725 0.581 1.00 0.00 C ATOM 207 SG CYS A1155 11.347 4.977 -0.167 1.00 0.00 S ATOM 0 H CYS A1155 11.857 2.565 0.815 1.00 0.00 H new ATOM 0 HA CYS A1155 13.957 3.720 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A1155 13.444 5.696 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A1155 13.601 4.173 -0.118 1.00 0.00 H new ATOM 0 HG CYS A1155 10.988 3.899 -0.799 1.00 0.00 H new ATOM 213 N GLY A1156 11.058 5.142 2.895 1.00 0.00 N ATOM 214 CA GLY A1156 10.395 5.986 3.872 1.00 0.00 C ATOM 215 C GLY A1156 10.259 7.425 3.406 1.00 0.00 C ATOM 216 O GLY A1156 10.107 8.333 4.224 1.00 0.00 O ATOM 0 H GLY A1156 10.455 4.796 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A1156 9.405 5.582 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A1156 10.955 5.962 4.807 1.00 0.00 H new ATOM 220 N GLN A1157 10.320 7.643 2.091 1.00 0.00 N ATOM 221 CA GLN A1157 10.210 8.990 1.539 1.00 0.00 C ATOM 222 C GLN A1157 9.644 8.975 0.121 1.00 0.00 C ATOM 223 O GLN A1157 9.845 9.918 -0.645 1.00 0.00 O ATOM 224 CB GLN A1157 11.579 9.674 1.543 1.00 0.00 C ATOM 225 CG GLN A1157 11.992 10.205 2.905 1.00 0.00 C ATOM 226 CD GLN A1157 13.374 10.827 2.893 1.00 0.00 C ATOM 227 OE1 GLN A1157 13.520 12.045 2.783 1.00 0.00 O ATOM 228 NE2 GLN A1157 14.400 9.991 3.006 1.00 0.00 N ATOM 0 H GLN A1157 10.444 6.908 1.395 1.00 0.00 H new ATOM 0 HA GLN A1157 9.520 9.549 2.170 1.00 0.00 H new ATOM 0 HB2 GLN A1157 12.331 8.965 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A1157 11.566 10.498 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A1157 11.266 10.947 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A1157 11.970 9.391 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A1157 14.234 8.989 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A1157 15.354 10.351 3.004 1.00 0.00 H new ATOM 237 N CYS A1158 8.926 7.910 -0.223 1.00 0.00 N ATOM 238 CA CYS A1158 8.325 7.790 -1.548 1.00 0.00 C ATOM 239 C CYS A1158 6.811 7.953 -1.454 1.00 0.00 C ATOM 240 O CYS A1158 6.257 8.058 -0.358 1.00 0.00 O ATOM 241 CB CYS A1158 8.680 6.438 -2.175 1.00 0.00 C ATOM 242 SG CYS A1158 8.011 5.021 -1.286 1.00 0.00 S ATOM 0 H CYS A1158 8.746 7.119 0.396 1.00 0.00 H new ATOM 0 HA CYS A1158 8.722 8.580 -2.186 1.00 0.00 H new ATOM 0 HB2 CYS A1158 8.313 6.417 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A1158 9.765 6.345 -2.223 1.00 0.00 H new ATOM 0 HG CYS A1158 8.354 5.093 -0.034 1.00 0.00 H new ATOM 248 N PRO A1159 6.117 7.984 -2.602 1.00 0.00 N ATOM 249 CA PRO A1159 4.660 8.146 -2.641 1.00 0.00 C ATOM 250 C PRO A1159 3.939 7.095 -1.803 1.00 0.00 C ATOM 251 O PRO A1159 2.872 7.354 -1.251 1.00 0.00 O ATOM 252 CB PRO A1159 4.330 7.992 -4.129 1.00 0.00 C ATOM 253 CG PRO A1159 5.588 8.389 -4.823 1.00 0.00 C ATOM 254 CD PRO A1159 6.691 7.871 -3.952 1.00 0.00 C ATOM 0 HA PRO A1159 4.337 9.099 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A1159 4.048 6.967 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A1159 3.496 8.630 -4.420 1.00 0.00 H new ATOM 0 HG2 PRO A1159 5.640 7.959 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A1159 5.651 9.471 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A1159 6.950 6.841 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A1159 7.601 8.462 -4.056 1.00 0.00 H new ATOM 262 N GLY A1160 4.533 5.911 -1.707 1.00 0.00 N ATOM 263 CA GLY A1160 3.937 4.842 -0.925 1.00 0.00 C ATOM 264 C GLY A1160 4.150 5.014 0.567 1.00 0.00 C ATOM 265 O GLY A1160 3.207 4.924 1.355 1.00 0.00 O ATOM 0 H GLY A1160 5.417 5.671 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A1160 2.868 4.800 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A1160 4.361 3.888 -1.240 1.00 0.00 H new ATOM 269 N CYS A1161 5.399 5.241 0.950 1.00 0.00 N ATOM 270 CA CYS A1161 5.770 5.406 2.346 1.00 0.00 C ATOM 271 C CYS A1161 5.111 6.629 2.979 1.00 0.00 C ATOM 272 O CYS A1161 4.943 6.688 4.197 1.00 0.00 O ATOM 273 CB CYS A1161 7.290 5.521 2.450 1.00 0.00 C ATOM 274 SG CYS A1161 8.170 3.976 2.123 1.00 0.00 S ATOM 0 H CYS A1161 6.182 5.316 0.301 1.00 0.00 H new ATOM 0 HA CYS A1161 5.417 4.532 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A1161 7.635 6.279 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A1161 7.550 5.870 3.449 1.00 0.00 H new ATOM 0 HG CYS A1161 8.866 3.643 3.169 1.00 0.00 H new ATOM 279 N GLN A1162 4.752 7.610 2.157 1.00 0.00 N ATOM 280 CA GLN A1162 4.131 8.831 2.665 1.00 0.00 C ATOM 281 C GLN A1162 2.618 8.689 2.825 1.00 0.00 C ATOM 282 O GLN A1162 1.944 9.645 3.208 1.00 0.00 O ATOM 283 CB GLN A1162 4.444 10.009 1.744 1.00 0.00 C ATOM 284 CG GLN A1162 3.750 9.935 0.395 1.00 0.00 C ATOM 285 CD GLN A1162 4.382 10.857 -0.628 1.00 0.00 C ATOM 286 OE1 GLN A1162 3.702 11.675 -1.249 1.00 0.00 O ATOM 287 NE2 GLN A1162 5.693 10.730 -0.809 1.00 0.00 N ATOM 0 H GLN A1162 4.878 7.586 1.145 1.00 0.00 H new ATOM 0 HA GLN A1162 4.552 9.015 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A1162 4.153 10.934 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A1162 5.521 10.058 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A1162 3.784 8.910 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A1162 2.698 10.196 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A1162 6.217 10.039 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A1162 6.175 11.324 -1.484 1.00 0.00 H new ATOM 296 N VAL A1163 2.079 7.507 2.537 1.00 0.00 N ATOM 297 CA VAL A1163 0.643 7.288 2.666 1.00 0.00 C ATOM 298 C VAL A1163 0.318 6.397 3.862 1.00 0.00 C ATOM 299 O VAL A1163 0.367 5.172 3.767 1.00 0.00 O ATOM 300 CB VAL A1163 0.036 6.659 1.398 1.00 0.00 C ATOM 301 CG1 VAL A1163 -1.477 6.615 1.503 1.00 0.00 C ATOM 302 CG2 VAL A1163 0.453 7.433 0.162 1.00 0.00 C ATOM 0 H VAL A1163 2.608 6.696 2.217 1.00 0.00 H new ATOM 0 HA VAL A1163 0.201 8.273 2.816 1.00 0.00 H new ATOM 0 HB VAL A1163 0.412 5.640 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A1163 -1.892 6.168 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A1163 -1.764 6.018 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A1163 -1.863 7.628 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A1163 0.013 6.971 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A1163 0.107 8.463 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A1163 1.539 7.421 0.075 1.00 0.00 H new ATOM 312 N PRO A1164 -0.029 7.007 5.008 1.00 0.00 N ATOM 313 CA PRO A1164 -0.375 6.271 6.221 1.00 0.00 C ATOM 314 C PRO A1164 -1.838 5.830 6.231 1.00 0.00 C ATOM 315 O PRO A1164 -2.295 5.184 7.175 1.00 0.00 O ATOM 316 CB PRO A1164 -0.122 7.303 7.314 1.00 0.00 C ATOM 317 CG PRO A1164 -0.464 8.606 6.673 1.00 0.00 C ATOM 318 CD PRO A1164 -0.121 8.465 5.210 1.00 0.00 C ATOM 0 HA PRO A1164 0.197 5.350 6.331 1.00 0.00 H new ATOM 0 HB2 PRO A1164 -0.742 7.115 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A1164 0.915 7.283 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A1164 -1.521 8.837 6.803 1.00 0.00 H new ATOM 0 HG3 PRO A1164 0.099 9.422 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A1164 -0.888 8.909 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A1164 0.819 8.962 4.970 1.00 0.00 H new ATOM 326 N GLU A1165 -2.571 6.191 5.180 1.00 0.00 N ATOM 327 CA GLU A1165 -3.983 5.842 5.071 1.00 0.00 C ATOM 328 C GLU A1165 -4.300 5.223 3.712 1.00 0.00 C ATOM 329 O GLU A1165 -3.428 5.109 2.851 1.00 0.00 O ATOM 330 CB GLU A1165 -4.843 7.089 5.278 1.00 0.00 C ATOM 331 CG GLU A1165 -4.487 8.231 4.339 1.00 0.00 C ATOM 332 CD GLU A1165 -4.335 9.556 5.061 1.00 0.00 C ATOM 333 OE1 GLU A1165 -5.228 9.901 5.862 1.00 0.00 O ATOM 334 OE2 GLU A1165 -3.321 10.247 4.826 1.00 0.00 O ATOM 0 H GLU A1165 -2.208 6.726 4.391 1.00 0.00 H new ATOM 0 HA GLU A1165 -4.207 5.105 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A1165 -5.891 6.826 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A1165 -4.735 7.429 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A1165 -3.557 7.995 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A1165 -5.261 8.324 3.577 1.00 0.00 H new ATOM 341 N ASP A1166 -5.558 4.833 3.529 1.00 0.00 N ATOM 342 CA ASP A1166 -6.010 4.234 2.282 1.00 0.00 C ATOM 343 C ASP A1166 -6.542 5.311 1.341 1.00 0.00 C ATOM 344 O ASP A1166 -7.495 6.012 1.682 1.00 0.00 O ATOM 345 CB ASP A1166 -7.102 3.208 2.581 1.00 0.00 C ATOM 346 CG ASP A1166 -6.561 1.974 3.272 1.00 0.00 C ATOM 347 OD1 ASP A1166 -5.413 1.581 2.974 1.00 0.00 O ATOM 348 OD2 ASP A1166 -7.283 1.400 4.113 1.00 0.00 O ATOM 0 H ASP A1166 -6.287 4.923 4.237 1.00 0.00 H new ATOM 0 HA ASP A1166 -5.171 3.737 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A1166 -7.866 3.667 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A1166 -7.587 2.916 1.650 1.00 0.00 H new ATOM 353 N CYS A1167 -5.933 5.456 0.156 1.00 0.00 N ATOM 354 CA CYS A1167 -6.384 6.463 -0.794 1.00 0.00 C ATOM 355 C CYS A1167 -7.894 6.370 -0.975 1.00 0.00 C ATOM 356 O CYS A1167 -8.589 7.386 -1.018 1.00 0.00 O ATOM 357 CB CYS A1167 -5.658 6.313 -2.130 1.00 0.00 C ATOM 358 SG CYS A1167 -6.045 4.798 -3.029 1.00 0.00 S ATOM 0 H CYS A1167 -5.141 4.896 -0.157 1.00 0.00 H new ATOM 0 HA CYS A1167 -6.145 7.450 -0.399 1.00 0.00 H new ATOM 0 HB2 CYS A1167 -5.905 7.167 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A1167 -4.583 6.349 -1.951 1.00 0.00 H new ATOM 0 HG CYS A1167 -6.362 3.861 -2.185 1.00 0.00 H new ATOM 364 N GLY A1168 -8.403 5.141 -1.026 1.00 0.00 N ATOM 365 CA GLY A1168 -9.833 4.947 -1.136 1.00 0.00 C ATOM 366 C GLY A1168 -10.361 4.910 -2.546 1.00 0.00 C ATOM 367 O GLY A1168 -11.546 5.164 -2.764 1.00 0.00 O ATOM 0 H GLY A1168 -7.852 4.283 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A1168 -10.098 4.013 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A1168 -10.336 5.749 -0.596 1.00 0.00 H new ATOM 371 N VAL A1169 -9.504 4.639 -3.511 1.00 0.00 N ATOM 372 CA VAL A1169 -9.946 4.631 -4.890 1.00 0.00 C ATOM 373 C VAL A1169 -9.253 3.572 -5.749 1.00 0.00 C ATOM 374 O VAL A1169 -9.643 3.355 -6.897 1.00 0.00 O ATOM 375 CB VAL A1169 -9.744 6.026 -5.475 1.00 0.00 C ATOM 376 CG1 VAL A1169 -10.520 7.030 -4.630 1.00 0.00 C ATOM 377 CG2 VAL A1169 -8.263 6.368 -5.494 1.00 0.00 C ATOM 0 H VAL A1169 -8.517 4.425 -3.370 1.00 0.00 H new ATOM 0 HA VAL A1169 -11.002 4.362 -4.899 1.00 0.00 H new ATOM 0 HB VAL A1169 -10.113 6.060 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A1169 -10.384 8.031 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A1169 -11.579 6.774 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A1169 -10.153 7.003 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A1169 -8.125 7.365 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A1169 -7.871 6.344 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A1169 -7.729 5.641 -6.106 1.00 0.00 H new ATOM 387 N CYS A1170 -8.261 2.882 -5.193 1.00 0.00 N ATOM 388 CA CYS A1170 -7.584 1.823 -5.934 1.00 0.00 C ATOM 389 C CYS A1170 -8.278 0.498 -5.637 1.00 0.00 C ATOM 390 O CYS A1170 -8.966 0.374 -4.633 1.00 0.00 O ATOM 391 CB CYS A1170 -6.094 1.759 -5.583 1.00 0.00 C ATOM 392 SG CYS A1170 -5.744 1.389 -3.851 1.00 0.00 S ATOM 0 H CYS A1170 -7.912 3.034 -4.247 1.00 0.00 H new ATOM 0 HA CYS A1170 -7.645 2.035 -7.001 1.00 0.00 H new ATOM 0 HB2 CYS A1170 -5.620 1.000 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A1170 -5.633 2.714 -5.837 1.00 0.00 H new ATOM 0 HG CYS A1170 -5.660 2.498 -3.179 1.00 0.00 H new ATOM 398 N THR A1171 -8.129 -0.479 -6.518 1.00 0.00 N ATOM 399 CA THR A1171 -8.797 -1.777 -6.330 1.00 0.00 C ATOM 400 C THR A1171 -8.635 -2.303 -4.901 1.00 0.00 C ATOM 401 O THR A1171 -9.575 -2.846 -4.315 1.00 0.00 O ATOM 402 CB THR A1171 -8.280 -2.827 -7.333 1.00 0.00 C ATOM 403 OG1 THR A1171 -7.660 -3.911 -6.662 1.00 0.00 O ATOM 404 CG2 THR A1171 -7.281 -2.288 -8.332 1.00 0.00 C ATOM 0 H THR A1171 -7.561 -0.410 -7.363 1.00 0.00 H new ATOM 0 HA THR A1171 -9.858 -1.608 -6.513 1.00 0.00 H new ATOM 0 HB THR A1171 -9.171 -3.146 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A1171 -7.342 -4.564 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A1171 -6.967 -3.089 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A1171 -7.742 -1.490 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A1171 -6.413 -1.896 -7.803 1.00 0.00 H new ATOM 412 N ASN A1172 -7.439 -2.151 -4.356 1.00 0.00 N ATOM 413 CA ASN A1172 -7.136 -2.625 -3.009 1.00 0.00 C ATOM 414 C ASN A1172 -7.932 -1.882 -1.941 1.00 0.00 C ATOM 415 O ASN A1172 -8.536 -2.497 -1.062 1.00 0.00 O ATOM 416 CB ASN A1172 -5.645 -2.465 -2.738 1.00 0.00 C ATOM 417 CG ASN A1172 -4.789 -3.112 -3.810 1.00 0.00 C ATOM 418 OD1 ASN A1172 -3.760 -2.402 -4.254 1.00 0.00 O flip ATOM 419 ND2 ASN A1172 -5.053 -4.237 -4.235 1.00 0.00 N flip ATOM 0 H ASN A1172 -6.655 -1.700 -4.827 1.00 0.00 H new ATOM 0 HA ASN A1172 -7.421 -3.676 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A1172 -5.402 -1.404 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A1172 -5.405 -2.906 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A1172 -5.855 -4.747 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A1172 -4.470 -4.659 -4.958 1.00 0.00 H new ATOM 426 N CYS A1173 -7.922 -0.561 -2.018 1.00 0.00 N ATOM 427 CA CYS A1173 -8.635 0.269 -1.059 1.00 0.00 C ATOM 428 C CYS A1173 -10.124 0.096 -1.237 1.00 0.00 C ATOM 429 O CYS A1173 -10.857 -0.132 -0.286 1.00 0.00 O ATOM 430 CB CYS A1173 -8.248 1.733 -1.233 1.00 0.00 C ATOM 431 SG CYS A1173 -6.635 2.137 -0.534 1.00 0.00 S ATOM 0 H CYS A1173 -7.425 -0.038 -2.739 1.00 0.00 H new ATOM 0 HA CYS A1173 -8.361 -0.042 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A1173 -8.246 1.977 -2.295 1.00 0.00 H new ATOM 0 HB3 CYS A1173 -9.006 2.360 -0.763 1.00 0.00 H new ATOM 0 HG CYS A1173 -5.719 1.419 -1.113 1.00 0.00 H new ATOM 436 N LEU A1174 -10.556 0.184 -2.478 1.00 0.00 N ATOM 437 CA LEU A1174 -11.950 0.011 -2.814 1.00 0.00 C ATOM 438 C LEU A1174 -12.414 -1.367 -2.378 1.00 0.00 C ATOM 439 O LEU A1174 -13.588 -1.579 -2.074 1.00 0.00 O ATOM 440 CB LEU A1174 -12.130 0.222 -4.306 1.00 0.00 C ATOM 441 CG LEU A1174 -11.633 1.578 -4.780 1.00 0.00 C ATOM 442 CD1 LEU A1174 -11.727 1.690 -6.291 1.00 0.00 C ATOM 443 CD2 LEU A1174 -12.420 2.678 -4.082 1.00 0.00 C ATOM 0 H LEU A1174 -9.952 0.377 -3.277 1.00 0.00 H new ATOM 0 HA LEU A1174 -12.562 0.745 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A1174 -11.598 -0.562 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A1174 -13.186 0.121 -4.557 1.00 0.00 H new ATOM 0 HG LEU A1174 -10.581 1.689 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A1174 -11.366 2.669 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A1174 -11.118 0.913 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A1174 -12.765 1.569 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A1174 -12.064 3.651 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A1174 -13.479 2.575 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A1174 -12.281 2.597 -3.004 1.00 0.00 H new ATOM 455 N ASP A1175 -11.464 -2.293 -2.316 1.00 0.00 N ATOM 456 CA ASP A1175 -11.746 -3.645 -1.878 1.00 0.00 C ATOM 457 C ASP A1175 -12.133 -3.652 -0.396 1.00 0.00 C ATOM 458 O ASP A1175 -12.680 -4.634 0.099 1.00 0.00 O ATOM 459 CB ASP A1175 -10.521 -4.530 -2.113 1.00 0.00 C ATOM 460 CG ASP A1175 -10.724 -5.507 -3.254 1.00 0.00 C ATOM 461 OD1 ASP A1175 -11.718 -6.263 -3.218 1.00 0.00 O ATOM 462 OD2 ASP A1175 -9.891 -5.516 -4.184 1.00 0.00 O ATOM 0 H ASP A1175 -10.489 -2.126 -2.566 1.00 0.00 H new ATOM 0 HA ASP A1175 -12.583 -4.039 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A1175 -9.657 -3.901 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A1175 -10.295 -5.083 -1.201 1.00 0.00 H new ATOM 467 N LYS A1176 -11.842 -2.547 0.307 1.00 0.00 N ATOM 468 CA LYS A1176 -12.154 -2.424 1.728 1.00 0.00 C ATOM 469 C LYS A1176 -13.641 -2.164 1.951 1.00 0.00 C ATOM 470 O LYS A1176 -14.336 -1.693 1.054 1.00 0.00 O ATOM 471 CB LYS A1176 -11.350 -1.273 2.325 1.00 0.00 C ATOM 472 CG LYS A1176 -9.880 -1.579 2.503 1.00 0.00 C ATOM 473 CD LYS A1176 -9.049 -0.328 2.306 1.00 0.00 C ATOM 474 CE LYS A1176 -7.572 -0.646 2.185 1.00 0.00 C ATOM 475 NZ LYS A1176 -7.326 -1.896 1.413 1.00 0.00 N ATOM 0 H LYS A1176 -11.389 -1.725 -0.093 1.00 0.00 H new ATOM 0 HA LYS A1176 -11.893 -3.363 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A1176 -11.454 -0.399 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A1176 -11.776 -1.009 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A1176 -9.705 -1.985 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A1176 -9.573 -2.343 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A1176 -9.383 0.193 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A1176 -9.207 0.349 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A1176 -7.062 0.185 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A1176 -7.141 -0.746 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A1176 -6.341 -1.910 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A1176 -7.496 -2.720 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A1176 -7.969 -1.932 0.596 1.00 0.00 H new ATOM 489 N PRO A1177 -14.145 -2.452 3.164 1.00 0.00 N ATOM 490 CA PRO A1177 -15.553 -2.233 3.507 1.00 0.00 C ATOM 491 C PRO A1177 -15.908 -0.751 3.539 1.00 0.00 C ATOM 492 O PRO A1177 -17.022 -0.359 3.193 1.00 0.00 O ATOM 493 CB PRO A1177 -15.696 -2.841 4.910 1.00 0.00 C ATOM 494 CG PRO A1177 -14.455 -3.638 5.136 1.00 0.00 C ATOM 495 CD PRO A1177 -13.387 -3.000 4.297 1.00 0.00 C ATOM 0 HA PRO A1177 -16.220 -2.682 2.771 1.00 0.00 H new ATOM 0 HB2 PRO A1177 -15.803 -2.062 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A1177 -16.583 -3.471 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A1177 -14.176 -3.633 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A1177 -14.604 -4.679 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A1177 -12.856 -2.220 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A1177 -12.641 -3.725 3.971 1.00 0.00 H new ATOM 503 N LYS A1178 -14.951 0.068 3.965 1.00 0.00 N ATOM 504 CA LYS A1178 -15.154 1.509 4.056 1.00 0.00 C ATOM 505 C LYS A1178 -15.132 2.169 2.676 1.00 0.00 C ATOM 506 O LYS A1178 -15.506 3.333 2.535 1.00 0.00 O ATOM 507 CB LYS A1178 -14.084 2.136 4.952 1.00 0.00 C ATOM 508 CG LYS A1178 -12.718 2.244 4.294 1.00 0.00 C ATOM 509 CD LYS A1178 -11.716 2.924 5.211 1.00 0.00 C ATOM 510 CE LYS A1178 -10.635 1.959 5.666 1.00 0.00 C ATOM 511 NZ LYS A1178 -9.870 2.489 6.830 1.00 0.00 N ATOM 0 H LYS A1178 -14.024 -0.244 4.254 1.00 0.00 H new ATOM 0 HA LYS A1178 -16.138 1.679 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A1178 -14.412 3.131 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A1178 -13.993 1.543 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A1178 -12.358 1.249 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A1178 -12.803 2.806 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A1178 -11.259 3.766 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A1178 -12.233 3.329 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A1178 -11.089 1.005 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A1178 -9.951 1.765 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A1178 -9.142 1.801 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A1178 -9.415 3.386 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A1178 -10.518 2.650 7.627 1.00 0.00 H new ATOM 525 N PHE A1179 -14.691 1.427 1.664 1.00 0.00 N ATOM 526 CA PHE A1179 -14.624 1.960 0.307 1.00 0.00 C ATOM 527 C PHE A1179 -15.609 1.247 -0.616 1.00 0.00 C ATOM 528 O PHE A1179 -15.430 1.228 -1.833 1.00 0.00 O ATOM 529 CB PHE A1179 -13.201 1.837 -0.240 1.00 0.00 C ATOM 530 CG PHE A1179 -12.238 2.771 0.427 1.00 0.00 C ATOM 531 CD1 PHE A1179 -12.457 4.136 0.382 1.00 0.00 C ATOM 532 CD2 PHE A1179 -11.128 2.294 1.113 1.00 0.00 C ATOM 533 CE1 PHE A1179 -11.597 5.008 1.004 1.00 0.00 C ATOM 534 CE2 PHE A1179 -10.262 3.164 1.741 1.00 0.00 C ATOM 535 CZ PHE A1179 -10.495 4.525 1.689 1.00 0.00 C ATOM 0 H PHE A1179 -14.377 0.461 1.757 1.00 0.00 H new ATOM 0 HA PHE A1179 -14.900 3.014 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A1179 -12.854 0.812 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A1179 -13.210 2.037 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A1179 -13.315 4.521 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A1179 -10.942 1.231 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A1179 -11.781 6.071 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A1179 -9.403 2.782 2.273 1.00 0.00 H new ATOM 0 HZ PHE A1179 -9.820 5.210 2.181 1.00 0.00 H new ATOM 545 N GLY A1180 -16.654 0.668 -0.029 1.00 0.00 N ATOM 546 CA GLY A1180 -17.656 -0.028 -0.814 1.00 0.00 C ATOM 547 C GLY A1180 -17.407 -1.523 -0.909 1.00 0.00 C ATOM 548 O GLY A1180 -18.306 -2.285 -1.265 1.00 0.00 O ATOM 0 H GLY A1180 -16.823 0.669 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A1180 -18.638 0.143 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A1180 -17.680 0.395 -1.818 1.00 0.00 H new ATOM 552 N GLY A1181 -16.187 -1.946 -0.596 1.00 0.00 N ATOM 553 CA GLY A1181 -15.853 -3.357 -0.658 1.00 0.00 C ATOM 554 C GLY A1181 -16.063 -4.069 0.666 1.00 0.00 C ATOM 555 O GLY A1181 -17.127 -3.958 1.274 1.00 0.00 O ATOM 0 H GLY A1181 -15.424 -1.337 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A1181 -16.462 -3.837 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A1181 -14.812 -3.466 -0.963 1.00 0.00 H new ATOM 559 N ARG A1182 -15.045 -4.806 1.106 1.00 0.00 N ATOM 560 CA ARG A1182 -15.112 -5.546 2.362 1.00 0.00 C ATOM 561 C ARG A1182 -13.708 -5.853 2.879 1.00 0.00 C ATOM 562 O ARG A1182 -12.715 -5.396 2.319 1.00 0.00 O ATOM 563 CB ARG A1182 -15.882 -6.857 2.172 1.00 0.00 C ATOM 564 CG ARG A1182 -17.229 -6.688 1.488 1.00 0.00 C ATOM 565 CD ARG A1182 -18.031 -7.978 1.513 1.00 0.00 C ATOM 566 NE ARG A1182 -19.207 -7.907 0.648 1.00 0.00 N ATOM 567 CZ ARG A1182 -20.290 -7.186 0.926 1.00 0.00 C ATOM 568 NH1 ARG A1182 -20.351 -6.473 2.044 1.00 0.00 N ATOM 569 NH2 ARG A1182 -21.315 -7.177 0.086 1.00 0.00 N ATOM 0 H ARG A1182 -14.161 -4.906 0.608 1.00 0.00 H new ATOM 0 HA ARG A1182 -15.634 -4.926 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A1182 -15.272 -7.543 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A1182 -16.036 -7.321 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A1182 -17.793 -5.898 1.983 1.00 0.00 H new ATOM 0 HG3 ARG A1182 -17.077 -6.372 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A1182 -17.397 -8.806 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A1182 -18.345 -8.190 2.535 1.00 0.00 H new ATOM 0 HE ARG A1182 -19.197 -8.442 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A1182 -19.565 -6.476 2.694 1.00 0.00 H new ATOM 0 HH12 ARG A1182 -21.184 -5.922 2.253 1.00 0.00 H new ATOM 0 HH21 ARG A1182 -21.274 -7.723 -0.774 1.00 0.00 H new ATOM 0 HH22 ARG A1182 -22.145 -6.624 0.300 1.00 0.00 H new ATOM 583 N ASN A1183 -13.632 -6.639 3.944 1.00 0.00 N ATOM 584 CA ASN A1183 -12.347 -7.016 4.521 1.00 0.00 C ATOM 585 C ASN A1183 -11.971 -8.429 4.088 1.00 0.00 C ATOM 586 O ASN A1183 -11.280 -9.152 4.808 1.00 0.00 O ATOM 587 CB ASN A1183 -12.403 -6.929 6.047 1.00 0.00 C ATOM 588 CG ASN A1183 -11.084 -6.489 6.650 1.00 0.00 C ATOM 589 OD1 ASN A1183 -10.400 -7.271 7.311 1.00 0.00 O ATOM 590 ND2 ASN A1183 -10.719 -5.233 6.425 1.00 0.00 N ATOM 0 H ASN A1183 -14.443 -7.028 4.426 1.00 0.00 H new ATOM 0 HA ASN A1183 -11.586 -6.323 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A1183 -13.185 -6.228 6.340 1.00 0.00 H new ATOM 0 HB3 ASN A1183 -12.679 -7.902 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A1183 -9.841 -4.881 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A1183 -11.317 -4.620 5.871 1.00 0.00 H new ATOM 597 N ILE A1184 -12.446 -8.815 2.908 1.00 0.00 N ATOM 598 CA ILE A1184 -12.185 -10.142 2.362 1.00 0.00 C ATOM 599 C ILE A1184 -10.879 -10.175 1.574 1.00 0.00 C ATOM 600 O ILE A1184 -10.070 -11.089 1.731 1.00 0.00 O ATOM 601 CB ILE A1184 -13.356 -10.601 1.463 1.00 0.00 C ATOM 602 CG1 ILE A1184 -13.290 -9.934 0.083 1.00 0.00 C ATOM 603 CG2 ILE A1184 -14.674 -10.271 2.139 1.00 0.00 C ATOM 604 CD1 ILE A1184 -14.480 -10.244 -0.801 1.00 0.00 C ATOM 0 H ILE A1184 -13.018 -8.222 2.307 1.00 0.00 H new ATOM 0 HA ILE A1184 -12.092 -10.829 3.203 1.00 0.00 H new ATOM 0 HB ILE A1184 -13.279 -11.679 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A1184 -13.218 -8.854 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A1184 -12.379 -10.255 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A1184 -15.499 -10.595 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A1184 -14.730 -10.786 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A1184 -14.741 -9.195 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A1184 -14.363 -9.738 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A1184 -14.542 -11.320 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A1184 -15.393 -9.897 -0.317 1.00 0.00 H new ATOM 616 N LYS A1185 -10.684 -9.173 0.726 1.00 0.00 N ATOM 617 CA LYS A1185 -9.481 -9.086 -0.087 1.00 0.00 C ATOM 618 C LYS A1185 -8.414 -8.265 0.619 1.00 0.00 C ATOM 619 O LYS A1185 -7.237 -8.624 0.605 1.00 0.00 O ATOM 620 CB LYS A1185 -9.797 -8.458 -1.445 1.00 0.00 C ATOM 621 CG LYS A1185 -8.924 -8.978 -2.576 1.00 0.00 C ATOM 622 CD LYS A1185 -9.700 -9.077 -3.877 1.00 0.00 C ATOM 623 CE LYS A1185 -10.302 -10.461 -4.062 1.00 0.00 C ATOM 624 NZ LYS A1185 -11.090 -10.560 -5.321 1.00 0.00 N ATOM 0 H LYS A1185 -11.345 -8.409 0.584 1.00 0.00 H new ATOM 0 HA LYS A1185 -9.104 -10.097 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A1185 -10.843 -8.647 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A1185 -9.677 -7.377 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A1185 -8.069 -8.316 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A1185 -8.529 -9.959 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A1185 -10.493 -8.330 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A1185 -9.039 -8.851 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A1185 -9.505 -11.205 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A1185 -10.944 -10.694 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A1185 -11.483 -11.519 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A1185 -11.866 -9.868 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A1185 -10.472 -10.363 -6.134 1.00 0.00 H new ATOM 638 N LYS A1186 -8.842 -7.160 1.236 1.00 0.00 N ATOM 639 CA LYS A1186 -7.932 -6.260 1.959 1.00 0.00 C ATOM 640 C LYS A1186 -6.492 -6.394 1.457 1.00 0.00 C ATOM 641 O LYS A1186 -5.688 -7.120 2.043 1.00 0.00 O ATOM 642 CB LYS A1186 -7.990 -6.547 3.461 1.00 0.00 C ATOM 643 CG LYS A1186 -8.033 -5.294 4.318 1.00 0.00 C ATOM 644 CD LYS A1186 -7.237 -5.469 5.602 1.00 0.00 C ATOM 645 CE LYS A1186 -6.462 -4.208 5.954 1.00 0.00 C ATOM 646 NZ LYS A1186 -7.141 -3.417 7.016 1.00 0.00 N ATOM 0 H LYS A1186 -9.818 -6.864 1.250 1.00 0.00 H new ATOM 0 HA LYS A1186 -8.259 -5.237 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A1186 -8.871 -7.153 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A1186 -7.120 -7.140 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A1186 -7.634 -4.452 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A1186 -9.068 -5.053 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A1186 -7.913 -5.722 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A1186 -6.545 -6.304 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A1186 -5.460 -4.479 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A1186 -6.345 -3.593 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A1186 -6.581 -2.566 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A1186 -8.087 -3.136 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A1186 -7.230 -3.995 7.876 1.00 0.00 H new ATOM 660 N GLN A1187 -6.177 -5.708 0.362 1.00 0.00 N ATOM 661 CA GLN A1187 -4.840 -5.776 -0.218 1.00 0.00 C ATOM 662 C GLN A1187 -4.033 -4.521 0.090 1.00 0.00 C ATOM 663 O GLN A1187 -4.552 -3.553 0.645 1.00 0.00 O ATOM 664 CB GLN A1187 -4.934 -5.973 -1.731 1.00 0.00 C ATOM 665 CG GLN A1187 -5.922 -7.050 -2.147 1.00 0.00 C ATOM 666 CD GLN A1187 -5.310 -8.437 -2.139 1.00 0.00 C ATOM 667 OE1 GLN A1187 -4.222 -8.650 -2.675 1.00 0.00 O ATOM 668 NE2 GLN A1187 -6.008 -9.389 -1.532 1.00 0.00 N ATOM 0 H GLN A1187 -6.826 -5.102 -0.139 1.00 0.00 H new ATOM 0 HA GLN A1187 -4.326 -6.627 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A1187 -5.223 -5.029 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A1187 -3.947 -6.229 -2.117 1.00 0.00 H new ATOM 0 HG2 GLN A1187 -6.779 -7.031 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A1187 -6.297 -6.828 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A1187 -6.905 -9.167 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A1187 -5.647 -10.342 -1.497 1.00 0.00 H new ATOM 677 N CYS A1188 -2.758 -4.547 -0.284 1.00 0.00 N ATOM 678 CA CYS A1188 -1.869 -3.414 -0.059 1.00 0.00 C ATOM 679 C CYS A1188 -2.235 -2.257 -0.980 1.00 0.00 C ATOM 680 O CYS A1188 -2.205 -2.390 -2.203 1.00 0.00 O ATOM 681 CB CYS A1188 -0.414 -3.825 -0.289 1.00 0.00 C ATOM 682 SG CYS A1188 0.433 -4.408 1.199 1.00 0.00 S ATOM 0 H CYS A1188 -2.317 -5.343 -0.745 1.00 0.00 H new ATOM 0 HA CYS A1188 -1.984 -3.088 0.975 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -0.385 -4.612 -1.043 1.00 0.00 H new ATOM 0 HB3 CYS A1188 0.133 -2.974 -0.695 1.00 0.00 H new ATOM 0 HG CYS A1188 1.656 -4.734 0.903 1.00 0.00 H new ATOM 688 N CYS A1189 -2.587 -1.122 -0.385 1.00 0.00 N ATOM 689 CA CYS A1189 -2.968 0.060 -1.150 1.00 0.00 C ATOM 690 C CYS A1189 -1.934 0.381 -2.231 1.00 0.00 C ATOM 691 O CYS A1189 -0.737 0.477 -1.958 1.00 0.00 O ATOM 692 CB CYS A1189 -3.153 1.255 -0.212 1.00 0.00 C ATOM 693 SG CYS A1189 -3.263 2.854 -1.050 1.00 0.00 S ATOM 0 H CYS A1189 -2.616 -0.996 0.627 1.00 0.00 H new ATOM 0 HA CYS A1189 -3.914 -0.149 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A1189 -4.059 1.103 0.375 1.00 0.00 H new ATOM 0 HB3 CYS A1189 -2.319 1.283 0.490 1.00 0.00 H new ATOM 0 HG CYS A1189 -4.510 3.211 -1.141 1.00 0.00 H new ATOM 698 N LYS A1190 -2.418 0.543 -3.456 1.00 0.00 N ATOM 699 CA LYS A1190 -1.568 0.849 -4.600 1.00 0.00 C ATOM 700 C LYS A1190 -0.741 2.114 -4.367 1.00 0.00 C ATOM 701 O LYS A1190 0.411 2.196 -4.794 1.00 0.00 O ATOM 702 CB LYS A1190 -2.429 1.017 -5.854 1.00 0.00 C ATOM 703 CG LYS A1190 -3.253 -0.213 -6.199 1.00 0.00 C ATOM 704 CD LYS A1190 -3.684 -0.198 -7.655 1.00 0.00 C ATOM 705 CE LYS A1190 -4.044 -1.591 -8.144 1.00 0.00 C ATOM 706 NZ LYS A1190 -2.873 -2.293 -8.737 1.00 0.00 N ATOM 0 H LYS A1190 -3.409 0.466 -3.684 1.00 0.00 H new ATOM 0 HA LYS A1190 -0.876 0.017 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A1190 -3.100 1.865 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A1190 -1.783 1.259 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A1190 -2.670 -1.112 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A1190 -4.133 -0.255 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A1190 -4.542 0.464 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A1190 -2.880 0.208 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A1190 -4.435 -2.177 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A1190 -4.839 -1.521 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A1190 -3.161 -3.239 -9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A1190 -2.514 -1.747 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A1190 -2.124 -2.384 -8.021 1.00 0.00 H new ATOM 720 N MET A1191 -1.335 3.102 -3.703 1.00 0.00 N ATOM 721 CA MET A1191 -0.648 4.359 -3.432 1.00 0.00 C ATOM 722 C MET A1191 0.239 4.265 -2.194 1.00 0.00 C ATOM 723 O MET A1191 1.063 5.143 -1.954 1.00 0.00 O ATOM 724 CB MET A1191 -1.670 5.479 -3.241 1.00 0.00 C ATOM 725 CG MET A1191 -2.662 5.601 -4.385 1.00 0.00 C ATOM 726 SD MET A1191 -2.108 6.739 -5.669 1.00 0.00 S ATOM 727 CE MET A1191 -2.229 8.304 -4.807 1.00 0.00 C ATOM 0 H MET A1191 -2.289 3.056 -3.344 1.00 0.00 H new ATOM 0 HA MET A1191 -0.010 4.577 -4.289 1.00 0.00 H new ATOM 0 HB2 MET A1191 -2.217 5.306 -2.314 1.00 0.00 H new ATOM 0 HB3 MET A1191 -1.142 6.426 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A1191 -2.827 4.617 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A1191 -3.621 5.940 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A1191 -2.360 9.109 -5.530 1.00 0.00 H new ATOM 0 HE2 MET A1191 -3.083 8.282 -4.131 1.00 0.00 H new ATOM 0 HE3 MET A1191 -1.317 8.475 -4.234 1.00 0.00 H new ATOM 737 N ARG A1192 0.055 3.211 -1.404 1.00 0.00 N ATOM 738 CA ARG A1192 0.829 3.022 -0.182 1.00 0.00 C ATOM 739 C ARG A1192 2.061 2.161 -0.418 1.00 0.00 C ATOM 740 O ARG A1192 3.096 2.351 0.220 1.00 0.00 O ATOM 741 CB ARG A1192 -0.043 2.363 0.875 1.00 0.00 C ATOM 742 CG ARG A1192 -1.019 3.317 1.532 1.00 0.00 C ATOM 743 CD ARG A1192 -1.944 2.598 2.500 1.00 0.00 C ATOM 744 NE ARG A1192 -1.661 2.950 3.887 1.00 0.00 N ATOM 745 CZ ARG A1192 -2.203 2.330 4.932 1.00 0.00 C ATOM 746 NH1 ARG A1192 -3.061 1.333 4.752 1.00 0.00 N ATOM 747 NH2 ARG A1192 -1.887 2.708 6.163 1.00 0.00 N ATOM 0 H ARG A1192 -0.625 2.474 -1.589 1.00 0.00 H new ATOM 0 HA ARG A1192 1.161 4.004 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A1192 -0.599 1.545 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A1192 0.597 1.925 1.641 1.00 0.00 H new ATOM 0 HG2 ARG A1192 -0.468 4.092 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A1192 -1.612 3.816 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A1192 -2.979 2.848 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A1192 -1.839 1.521 2.370 1.00 0.00 H new ATOM 0 HE ARG A1192 -1.011 3.715 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A1192 -3.309 1.038 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A1192 -3.472 0.862 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A1192 -1.229 3.474 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A1192 -2.302 2.233 6.965 1.00 0.00 H new ATOM 761 N LYS A1193 1.935 1.202 -1.322 1.00 0.00 N ATOM 762 CA LYS A1193 3.034 0.291 -1.627 1.00 0.00 C ATOM 763 C LYS A1193 4.299 1.061 -1.993 1.00 0.00 C ATOM 764 O LYS A1193 4.323 1.820 -2.963 1.00 0.00 O ATOM 765 CB LYS A1193 2.639 -0.652 -2.768 1.00 0.00 C ATOM 766 CG LYS A1193 2.613 0.012 -4.136 1.00 0.00 C ATOM 767 CD LYS A1193 1.899 -0.853 -5.161 1.00 0.00 C ATOM 768 CE LYS A1193 1.936 -0.225 -6.544 1.00 0.00 C ATOM 769 NZ LYS A1193 3.310 -0.229 -7.121 1.00 0.00 N ATOM 0 H LYS A1193 1.084 1.032 -1.859 1.00 0.00 H new ATOM 0 HA LYS A1193 3.243 -0.299 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A1193 3.338 -1.488 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A1193 1.653 -1.068 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A1193 2.114 0.978 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A1193 3.633 0.204 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A1193 2.365 -1.838 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A1193 0.863 -1.001 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A1193 1.263 -0.768 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A1193 1.569 0.800 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A1193 3.269 0.065 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A1193 3.912 0.432 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A1193 3.710 -1.187 -7.059 1.00 0.00 H new ATOM 783 N CYS A1194 5.348 0.865 -1.198 1.00 0.00 N ATOM 784 CA CYS A1194 6.620 1.543 -1.419 1.00 0.00 C ATOM 785 C CYS A1194 7.153 1.282 -2.825 1.00 0.00 C ATOM 786 O CYS A1194 6.939 0.216 -3.401 1.00 0.00 O ATOM 787 CB CYS A1194 7.649 1.104 -0.376 1.00 0.00 C ATOM 788 SG CYS A1194 9.299 1.801 -0.626 1.00 0.00 S ATOM 0 H CYS A1194 5.341 0.239 -0.392 1.00 0.00 H new ATOM 0 HA CYS A1194 6.446 2.614 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A1194 7.292 1.390 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A1194 7.720 0.016 -0.387 1.00 0.00 H new ATOM 0 HG CYS A1194 9.197 3.066 -0.909 1.00 0.00 H new ATOM 793 N GLN A1195 7.839 2.280 -3.364 1.00 0.00 N ATOM 794 CA GLN A1195 8.407 2.205 -4.699 1.00 0.00 C ATOM 795 C GLN A1195 9.913 1.965 -4.653 1.00 0.00 C ATOM 796 O GLN A1195 10.485 1.385 -5.575 1.00 0.00 O ATOM 797 CB GLN A1195 8.119 3.511 -5.437 1.00 0.00 C ATOM 798 CG GLN A1195 6.796 3.504 -6.177 1.00 0.00 C ATOM 799 CD GLN A1195 6.600 4.738 -7.037 1.00 0.00 C ATOM 800 OE1 GLN A1195 7.517 5.175 -7.733 1.00 0.00 O ATOM 801 NE2 GLN A1195 5.401 5.306 -6.993 1.00 0.00 N ATOM 0 H GLN A1195 8.016 3.164 -2.887 1.00 0.00 H new ATOM 0 HA GLN A1195 7.950 1.365 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A1195 8.122 4.333 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A1195 8.923 3.704 -6.147 1.00 0.00 H new ATOM 0 HG2 GLN A1195 6.741 2.615 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A1195 5.981 3.435 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A1195 4.670 4.910 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A1195 5.210 6.139 -7.550 1.00 0.00 H new ATOM 810 N ASN A1196 10.554 2.432 -3.585 1.00 0.00 N ATOM 811 CA ASN A1196 11.995 2.280 -3.440 1.00 0.00 C ATOM 812 C ASN A1196 12.367 1.718 -2.074 1.00 0.00 C ATOM 813 O ASN A1196 12.100 2.325 -1.039 1.00 0.00 O ATOM 814 CB ASN A1196 12.683 3.630 -3.678 1.00 0.00 C ATOM 815 CG ASN A1196 14.090 3.695 -3.112 1.00 0.00 C ATOM 816 OD1 ASN A1196 14.341 4.699 -2.279 1.00 0.00 O flip ATOM 817 ND2 ASN A1196 14.937 2.857 -3.419 1.00 0.00 N flip ATOM 0 H ASN A1196 10.099 2.917 -2.811 1.00 0.00 H new ATOM 0 HA ASN A1196 12.340 1.564 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A1196 12.720 3.827 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A1196 12.081 4.421 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A1196 14.698 2.103 -4.063 1.00 0.00 H new ATOM 0 HD22 ASN A1196 15.878 2.916 -3.029 1.00 0.00 H new ATOM 824 N LEU A1197 12.998 0.553 -2.092 1.00 0.00 N ATOM 825 CA LEU A1197 13.426 -0.108 -0.870 1.00 0.00 C ATOM 826 C LEU A1197 14.870 -0.579 -0.998 1.00 0.00 C ATOM 827 O LEU A1197 15.372 -0.773 -2.105 1.00 0.00 O ATOM 828 CB LEU A1197 12.532 -1.310 -0.580 1.00 0.00 C ATOM 829 CG LEU A1197 11.058 -1.147 -0.962 1.00 0.00 C ATOM 830 CD1 LEU A1197 10.674 -2.133 -2.048 1.00 0.00 C ATOM 831 CD2 LEU A1197 10.169 -1.345 0.249 1.00 0.00 C ATOM 0 H LEU A1197 13.226 0.044 -2.946 1.00 0.00 H new ATOM 0 HA LEU A1197 13.351 0.608 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A1197 12.933 -2.174 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A1197 12.590 -1.534 0.485 1.00 0.00 H new ATOM 0 HG LEU A1197 10.918 -0.135 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A1197 9.623 -2.000 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A1197 11.288 -1.959 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A1197 10.834 -3.150 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A1197 9.125 -1.225 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A1197 10.321 -2.346 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A1197 10.420 -0.606 1.010 1.00 0.00 H new