USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.0355 K(o=-0.035,f=-0.68) USER MOD Single : A 280 MET CE :methyl 168:sc= -0.267 (180deg=-0.688) USER MOD Single : A 285 SER OG : rot -63:sc= 1.1 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ -118:sc= -1.94! (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 1.850 -0.727 2.594 1.00 0.00 N ATOM 161 CA ILE A 276 0.713 -0.591 1.649 1.00 0.00 C ATOM 162 C ILE A 276 0.175 -1.976 1.280 1.00 0.00 C ATOM 163 O ILE A 276 -1.018 -2.202 1.254 1.00 0.00 O ATOM 164 CB ILE A 276 1.302 0.102 0.420 1.00 0.00 C ATOM 165 CG1 ILE A 276 1.803 1.494 0.813 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.225 0.234 -0.658 1.00 0.00 C ATOM 167 CD1 ILE A 276 2.255 2.247 -0.439 1.00 0.00 C ATOM 0 HA ILE A 276 -0.118 -0.027 2.073 1.00 0.00 H new ATOM 0 HB ILE A 276 2.132 -0.489 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 276 1.011 2.048 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 276 2.630 1.409 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.646 0.728 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.133 -0.757 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.606 0.825 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 276 2.612 3.238 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 276 3.060 1.696 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 276 1.416 2.345 -1.128 1.00 0.00 H new ATOM 179 N ARG A 277 1.049 -2.906 1.001 1.00 0.00 N ATOM 180 CA ARG A 277 0.586 -4.276 0.641 1.00 0.00 C ATOM 181 C ARG A 277 -0.511 -4.722 1.608 1.00 0.00 C ATOM 182 O ARG A 277 -1.658 -4.872 1.238 1.00 0.00 O ATOM 183 CB ARG A 277 1.815 -5.179 0.788 1.00 0.00 C ATOM 184 CG ARG A 277 2.995 -4.605 -0.003 1.00 0.00 C ATOM 185 CD ARG A 277 2.519 -4.129 -1.378 1.00 0.00 C ATOM 186 NE ARG A 277 3.588 -4.560 -2.321 1.00 0.00 N ATOM 187 CZ ARG A 277 3.381 -4.523 -3.610 1.00 0.00 C ATOM 188 NH1 ARG A 277 2.236 -4.105 -4.079 1.00 0.00 N ATOM 189 NH2 ARG A 277 4.321 -4.905 -4.431 1.00 0.00 N ATOM 0 H ARG A 277 2.061 -2.776 1.007 1.00 0.00 H new ATOM 0 HA ARG A 277 0.175 -4.316 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.084 -5.270 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.582 -6.182 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 277 3.441 -3.775 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 277 3.769 -5.363 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 277 1.558 -4.573 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 277 2.386 -3.047 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 277 4.485 -4.885 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 277 1.501 -3.806 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 277 2.077 -4.077 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 277 5.215 -5.232 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 277 4.161 -4.877 -5.438 1.00 0.00 H new ATOM 203 N LYS A 278 -0.165 -4.935 2.847 1.00 0.00 N ATOM 204 CA LYS A 278 -1.184 -5.372 3.840 1.00 0.00 C ATOM 205 C LYS A 278 -2.412 -4.460 3.773 1.00 0.00 C ATOM 206 O LYS A 278 -3.511 -4.904 3.505 1.00 0.00 O ATOM 207 CB LYS A 278 -0.494 -5.247 5.199 1.00 0.00 C ATOM 208 CG LYS A 278 -0.335 -6.636 5.820 1.00 0.00 C ATOM 209 CD LYS A 278 0.800 -6.611 6.845 1.00 0.00 C ATOM 210 CE LYS A 278 1.962 -7.472 6.342 1.00 0.00 C ATOM 211 NZ LYS A 278 2.718 -6.589 5.410 1.00 0.00 N ATOM 0 H LYS A 278 0.780 -4.825 3.214 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.533 -6.388 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 278 0.482 -4.776 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.080 -4.607 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -1.265 -6.940 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -0.122 -7.371 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 278 1.136 -5.587 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 278 0.445 -6.985 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 278 2.591 -7.807 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 278 1.600 -8.366 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 3.532 -7.108 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 2.095 -6.291 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 3.056 -5.750 5.924 1.00 0.00 H new ATOM 225 N GLN A 279 -2.234 -3.190 4.016 1.00 0.00 N ATOM 226 CA GLN A 279 -3.389 -2.249 3.968 1.00 0.00 C ATOM 227 C GLN A 279 -4.285 -2.568 2.769 1.00 0.00 C ATOM 228 O GLN A 279 -5.491 -2.660 2.889 1.00 0.00 O ATOM 229 CB GLN A 279 -2.764 -0.863 3.816 1.00 0.00 C ATOM 230 CG GLN A 279 -2.947 -0.074 5.114 1.00 0.00 C ATOM 231 CD GLN A 279 -2.649 1.404 4.859 1.00 0.00 C ATOM 232 OE1 GLN A 279 -3.093 1.965 3.877 1.00 0.00 O ATOM 233 NE2 GLN A 279 -1.910 2.064 5.709 1.00 0.00 N ATOM 0 H GLN A 279 -1.337 -2.763 4.246 1.00 0.00 H new ATOM 0 HA GLN A 279 -4.015 -2.319 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -1.704 -0.955 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -3.230 -0.331 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.966 -0.192 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -2.282 -0.462 5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -1.537 1.593 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -1.706 3.050 5.549 1.00 0.00 H new ATOM 242 N MET A 280 -3.706 -2.737 1.612 1.00 0.00 N ATOM 243 CA MET A 280 -4.525 -3.049 0.406 1.00 0.00 C ATOM 244 C MET A 280 -5.394 -4.283 0.662 1.00 0.00 C ATOM 245 O MET A 280 -6.580 -4.281 0.405 1.00 0.00 O ATOM 246 CB MET A 280 -3.508 -3.331 -0.701 1.00 0.00 C ATOM 247 CG MET A 280 -3.117 -2.019 -1.383 1.00 0.00 C ATOM 248 SD MET A 280 -1.863 -2.347 -2.647 1.00 0.00 S ATOM 249 CE MET A 280 -2.961 -3.125 -3.857 1.00 0.00 C ATOM 0 H MET A 280 -2.701 -2.673 1.449 1.00 0.00 H new ATOM 0 HA MET A 280 -5.199 -2.234 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.624 -3.813 -0.283 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.932 -4.020 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.994 -1.557 -1.837 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.731 -1.315 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.442 -3.220 -4.811 1.00 0.00 H new ATOM 0 HE2 MET A 280 -3.251 -4.114 -3.502 1.00 0.00 H new ATOM 0 HE3 MET A 280 -3.852 -2.511 -3.988 1.00 0.00 H new ATOM 259 N ASP A 281 -4.813 -5.337 1.164 1.00 0.00 N ATOM 260 CA ASP A 281 -5.606 -6.572 1.432 1.00 0.00 C ATOM 261 C ASP A 281 -6.604 -6.335 2.572 1.00 0.00 C ATOM 262 O ASP A 281 -7.803 -6.416 2.388 1.00 0.00 O ATOM 263 CB ASP A 281 -4.571 -7.622 1.839 1.00 0.00 C ATOM 264 CG ASP A 281 -5.048 -9.008 1.400 1.00 0.00 C ATOM 265 OD1 ASP A 281 -5.754 -9.640 2.168 1.00 0.00 O ATOM 266 OD2 ASP A 281 -4.698 -9.414 0.304 1.00 0.00 O ATOM 0 H ASP A 281 -3.823 -5.398 1.401 1.00 0.00 H new ATOM 0 HA ASP A 281 -6.189 -6.881 0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -3.608 -7.395 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -4.423 -7.602 2.919 1.00 0.00 H new ATOM 271 N ALA A 282 -6.113 -6.055 3.749 1.00 0.00 N ATOM 272 CA ALA A 282 -7.017 -5.824 4.911 1.00 0.00 C ATOM 273 C ALA A 282 -8.167 -4.882 4.538 1.00 0.00 C ATOM 274 O ALA A 282 -9.197 -4.866 5.180 1.00 0.00 O ATOM 275 CB ALA A 282 -6.130 -5.185 5.979 1.00 0.00 C ATOM 0 H ALA A 282 -5.117 -5.976 3.956 1.00 0.00 H new ATOM 0 HA ALA A 282 -7.478 -6.751 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.723 -4.983 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -5.316 -5.865 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.717 -4.251 5.598 1.00 0.00 H new ATOM 281 N ALA A 283 -8.001 -4.092 3.513 1.00 0.00 N ATOM 282 CA ALA A 283 -9.089 -3.155 3.115 1.00 0.00 C ATOM 283 C ALA A 283 -9.767 -3.640 1.833 1.00 0.00 C ATOM 284 O ALA A 283 -10.968 -3.541 1.678 1.00 0.00 O ATOM 285 CB ALA A 283 -8.392 -1.815 2.880 1.00 0.00 C ATOM 0 H ALA A 283 -7.161 -4.055 2.935 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.867 -3.082 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -9.129 -1.069 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -7.901 -1.494 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -7.648 -1.925 2.091 1.00 0.00 H new ATOM 291 N ALA A 284 -9.007 -4.161 0.913 1.00 0.00 N ATOM 292 CA ALA A 284 -9.607 -4.651 -0.360 1.00 0.00 C ATOM 293 C ALA A 284 -10.511 -5.856 -0.094 1.00 0.00 C ATOM 294 O ALA A 284 -11.712 -5.794 -0.269 1.00 0.00 O ATOM 295 CB ALA A 284 -8.416 -5.061 -1.226 1.00 0.00 C ATOM 0 H ALA A 284 -7.995 -4.269 0.986 1.00 0.00 H new ATOM 0 HA ALA A 284 -10.224 -3.892 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -8.775 -5.435 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -7.772 -4.197 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -7.851 -5.844 -0.720 1.00 0.00 H new ATOM 301 N SER A 285 -9.942 -6.955 0.318 1.00 0.00 N ATOM 302 CA SER A 285 -10.765 -8.166 0.585 1.00 0.00 C ATOM 303 C SER A 285 -11.327 -8.139 2.011 1.00 0.00 C ATOM 304 O SER A 285 -11.330 -9.139 2.700 1.00 0.00 O ATOM 305 CB SER A 285 -9.805 -9.341 0.414 1.00 0.00 C ATOM 306 OG SER A 285 -10.347 -10.487 1.057 1.00 0.00 O ATOM 0 H SER A 285 -8.941 -7.066 0.481 1.00 0.00 H new ATOM 0 HA SER A 285 -11.621 -8.231 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 285 -9.646 -9.545 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.832 -9.096 0.841 1.00 0.00 H new ATOM 0 HG SER A 285 -10.421 -10.318 2.019 1.00 0.00 H new ATOM 312 N LYS A 286 -11.798 -7.009 2.464 1.00 0.00 N ATOM 313 CA LYS A 286 -12.349 -6.946 3.847 1.00 0.00 C ATOM 314 C LYS A 286 -13.573 -6.026 3.911 1.00 0.00 C ATOM 315 O LYS A 286 -14.109 -5.769 4.971 1.00 0.00 O ATOM 316 CB LYS A 286 -11.214 -6.385 4.701 1.00 0.00 C ATOM 317 CG LYS A 286 -11.500 -6.665 6.178 1.00 0.00 C ATOM 318 CD LYS A 286 -10.302 -7.383 6.804 1.00 0.00 C ATOM 319 CE LYS A 286 -10.381 -7.274 8.328 1.00 0.00 C ATOM 320 NZ LYS A 286 -9.128 -6.575 8.729 1.00 0.00 N ATOM 0 H LYS A 286 -11.825 -6.134 1.941 1.00 0.00 H new ATOM 0 HA LYS A 286 -12.681 -7.925 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -10.267 -6.840 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -11.116 -5.312 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -11.693 -5.731 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -12.396 -7.278 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -10.295 -8.431 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -9.372 -6.942 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -11.263 -6.713 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -10.450 -8.258 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -9.109 -6.463 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -8.306 -7.135 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -9.094 -5.638 8.278 1.00 0.00 H new ATOM 334 N GLY A 287 -14.023 -5.530 2.793 1.00 0.00 N ATOM 335 CA GLY A 287 -15.212 -4.632 2.806 1.00 0.00 C ATOM 336 C GLY A 287 -14.759 -3.187 2.600 1.00 0.00 C ATOM 337 O GLY A 287 -15.403 -2.417 1.916 1.00 0.00 O ATOM 0 H GLY A 287 -13.621 -5.707 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.909 -4.922 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.743 -4.727 3.753 1.00 0.00 H new ATOM 341 N ASP A 288 -13.653 -2.814 3.180 1.00 0.00 N ATOM 342 CA ASP A 288 -13.159 -1.420 3.009 1.00 0.00 C ATOM 343 C ASP A 288 -12.459 -1.284 1.658 1.00 0.00 C ATOM 344 O ASP A 288 -11.335 -0.831 1.569 1.00 0.00 O ATOM 345 CB ASP A 288 -12.170 -1.202 4.155 1.00 0.00 C ATOM 346 CG ASP A 288 -12.456 0.142 4.827 1.00 0.00 C ATOM 347 OD1 ASP A 288 -11.925 1.138 4.364 1.00 0.00 O ATOM 348 OD2 ASP A 288 -13.201 0.152 5.793 1.00 0.00 O ATOM 0 H ASP A 288 -13.070 -3.413 3.764 1.00 0.00 H new ATOM 0 HA ASP A 288 -13.964 -0.686 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -12.256 -2.010 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -11.148 -1.221 3.776 1.00 0.00 H new ATOM 353 N VAL A 289 -13.120 -1.675 0.604 1.00 0.00 N ATOM 354 CA VAL A 289 -12.499 -1.573 -0.747 1.00 0.00 C ATOM 355 C VAL A 289 -12.274 -0.103 -1.107 1.00 0.00 C ATOM 356 O VAL A 289 -11.568 0.217 -2.042 1.00 0.00 O ATOM 357 CB VAL A 289 -13.506 -2.219 -1.699 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.823 -2.519 -3.034 1.00 0.00 C ATOM 359 CG2 VAL A 289 -14.021 -3.527 -1.090 1.00 0.00 C ATOM 0 H VAL A 289 -14.064 -2.061 0.619 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.528 -2.065 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 289 -14.341 -1.537 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -13.540 -2.980 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -12.454 -1.591 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.988 -3.201 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -14.739 -3.987 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -13.185 -4.208 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -14.506 -3.318 -0.137 1.00 0.00 H new ATOM 369 N GLU A 290 -12.864 0.796 -0.368 1.00 0.00 N ATOM 370 CA GLU A 290 -12.676 2.239 -0.664 1.00 0.00 C ATOM 371 C GLU A 290 -11.182 2.557 -0.744 1.00 0.00 C ATOM 372 O GLU A 290 -10.652 2.848 -1.798 1.00 0.00 O ATOM 373 CB GLU A 290 -13.321 2.971 0.512 1.00 0.00 C ATOM 374 CG GLU A 290 -13.590 4.426 0.125 1.00 0.00 C ATOM 375 CD GLU A 290 -15.095 4.697 0.171 1.00 0.00 C ATOM 376 OE1 GLU A 290 -15.754 4.128 1.025 1.00 0.00 O ATOM 377 OE2 GLU A 290 -15.563 5.469 -0.650 1.00 0.00 O ATOM 0 H GLU A 290 -13.468 0.591 0.428 1.00 0.00 H new ATOM 0 HA GLU A 290 -13.120 2.534 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.253 2.480 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -12.666 2.931 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.068 5.097 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -13.204 4.625 -0.875 1.00 0.00 H new ATOM 384 N THR A 291 -10.500 2.495 0.366 1.00 0.00 N ATOM 385 CA THR A 291 -9.042 2.784 0.364 1.00 0.00 C ATOM 386 C THR A 291 -8.334 1.883 -0.652 1.00 0.00 C ATOM 387 O THR A 291 -7.420 2.297 -1.337 1.00 0.00 O ATOM 388 CB THR A 291 -8.575 2.465 1.786 1.00 0.00 C ATOM 389 OG1 THR A 291 -8.954 3.524 2.654 1.00 0.00 O ATOM 390 CG2 THR A 291 -7.054 2.306 1.806 1.00 0.00 C ATOM 0 H THR A 291 -10.893 2.256 1.276 1.00 0.00 H new ATOM 0 HA THR A 291 -8.820 3.814 0.086 1.00 0.00 H new ATOM 0 HB THR A 291 -9.037 1.536 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 291 -8.658 3.322 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 291 -6.725 2.079 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.764 1.493 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 291 -6.587 3.232 1.472 1.00 0.00 H new ATOM 398 N TYR A 292 -8.756 0.652 -0.752 1.00 0.00 N ATOM 399 CA TYR A 292 -8.117 -0.285 -1.720 1.00 0.00 C ATOM 400 C TYR A 292 -8.030 0.362 -3.106 1.00 0.00 C ATOM 401 O TYR A 292 -6.963 0.508 -3.667 1.00 0.00 O ATOM 402 CB TYR A 292 -9.044 -1.501 -1.750 1.00 0.00 C ATOM 403 CG TYR A 292 -8.512 -2.526 -2.721 1.00 0.00 C ATOM 404 CD1 TYR A 292 -7.135 -2.637 -2.940 1.00 0.00 C ATOM 405 CD2 TYR A 292 -9.399 -3.371 -3.398 1.00 0.00 C ATOM 406 CE1 TYR A 292 -6.644 -3.593 -3.836 1.00 0.00 C ATOM 407 CE2 TYR A 292 -8.909 -4.327 -4.295 1.00 0.00 C ATOM 408 CZ TYR A 292 -7.531 -4.438 -4.514 1.00 0.00 C ATOM 409 OH TYR A 292 -7.047 -5.381 -5.399 1.00 0.00 O ATOM 0 H TYR A 292 -9.518 0.254 -0.203 1.00 0.00 H new ATOM 0 HA TYR A 292 -7.099 -0.551 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -9.120 -1.936 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -10.049 -1.197 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -6.451 -1.985 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -10.462 -3.285 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -5.581 -3.679 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -9.594 -4.979 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 292 -7.795 -5.884 -5.782 1.00 0.00 H new ATOM 419 N ARG A 293 -9.146 0.749 -3.660 1.00 0.00 N ATOM 420 CA ARG A 293 -9.130 1.383 -5.008 1.00 0.00 C ATOM 421 C ARG A 293 -7.979 2.389 -5.110 1.00 0.00 C ATOM 422 O ARG A 293 -7.014 2.173 -5.817 1.00 0.00 O ATOM 423 CB ARG A 293 -10.478 2.096 -5.125 1.00 0.00 C ATOM 424 CG ARG A 293 -10.705 2.524 -6.577 1.00 0.00 C ATOM 425 CD ARG A 293 -11.594 1.495 -7.278 1.00 0.00 C ATOM 426 NE ARG A 293 -12.303 2.260 -8.341 1.00 0.00 N ATOM 427 CZ ARG A 293 -13.251 3.101 -8.023 1.00 0.00 C ATOM 428 NH1 ARG A 293 -13.579 3.278 -6.771 1.00 0.00 N ATOM 429 NH2 ARG A 293 -13.870 3.767 -8.959 1.00 0.00 N ATOM 0 H ARG A 293 -10.069 0.653 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 293 -8.983 0.654 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -11.281 1.434 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -10.499 2.967 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -11.174 3.507 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -9.750 2.609 -7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -11.001 0.685 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -12.299 1.042 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 293 -12.048 2.127 -9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -13.095 2.759 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -14.319 3.935 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -13.613 3.631 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -14.610 4.424 -8.713 1.00 0.00 H new ATOM 443 N LYS A 294 -8.076 3.489 -4.415 1.00 0.00 N ATOM 444 CA LYS A 294 -6.994 4.510 -4.477 1.00 0.00 C ATOM 445 C LYS A 294 -5.624 3.857 -4.273 1.00 0.00 C ATOM 446 O LYS A 294 -4.744 3.970 -5.103 1.00 0.00 O ATOM 447 CB LYS A 294 -7.298 5.480 -3.335 1.00 0.00 C ATOM 448 CG LYS A 294 -6.261 6.604 -3.334 1.00 0.00 C ATOM 449 CD LYS A 294 -6.343 7.377 -2.016 1.00 0.00 C ATOM 450 CE LYS A 294 -5.510 8.656 -2.122 1.00 0.00 C ATOM 451 NZ LYS A 294 -6.476 9.764 -1.884 1.00 0.00 N ATOM 0 H LYS A 294 -8.860 3.725 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 294 -6.962 5.011 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -8.299 5.894 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.280 4.953 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -5.261 6.190 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.438 7.277 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -7.381 7.624 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -5.977 6.759 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -4.707 8.667 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -5.043 8.743 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -5.979 10.676 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -7.225 9.732 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -6.900 9.659 -0.940 1.00 0.00 H new ATOM 465 N LEU A 295 -5.436 3.182 -3.170 1.00 0.00 N ATOM 466 CA LEU A 295 -4.123 2.527 -2.905 1.00 0.00 C ATOM 467 C LEU A 295 -3.569 1.894 -4.184 1.00 0.00 C ATOM 468 O LEU A 295 -2.541 2.299 -4.690 1.00 0.00 O ATOM 469 CB LEU A 295 -4.417 1.453 -1.857 1.00 0.00 C ATOM 470 CG LEU A 295 -3.474 1.632 -0.666 1.00 0.00 C ATOM 471 CD1 LEU A 295 -3.725 2.994 -0.016 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.732 0.524 0.358 1.00 0.00 C ATOM 0 H LEU A 295 -6.137 3.056 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 295 -3.374 3.240 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -5.454 1.525 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -4.288 0.461 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 295 -2.441 1.578 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -3.053 3.121 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -3.543 3.784 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -4.758 3.048 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -3.061 0.650 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -4.765 0.579 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -3.554 -0.447 -0.104 1.00 0.00 H new ATOM 484 N LYS A 296 -4.240 0.905 -4.710 1.00 0.00 N ATOM 485 CA LYS A 296 -3.748 0.251 -5.955 1.00 0.00 C ATOM 486 C LYS A 296 -3.252 1.309 -6.943 1.00 0.00 C ATOM 487 O LYS A 296 -2.110 1.299 -7.358 1.00 0.00 O ATOM 488 CB LYS A 296 -4.960 -0.487 -6.523 1.00 0.00 C ATOM 489 CG LYS A 296 -4.484 -1.654 -7.391 1.00 0.00 C ATOM 490 CD LYS A 296 -5.558 -1.993 -8.426 1.00 0.00 C ATOM 491 CE LYS A 296 -5.721 -3.512 -8.513 1.00 0.00 C ATOM 492 NZ LYS A 296 -6.670 -3.734 -9.639 1.00 0.00 N ATOM 0 H LYS A 296 -5.106 0.523 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 296 -2.914 -0.425 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -5.588 -0.855 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -5.571 0.195 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -3.552 -1.392 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -4.278 -2.524 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -6.505 -1.530 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -5.280 -1.590 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -4.765 -4.001 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -6.112 -3.921 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -6.832 -4.754 -9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -7.573 -3.263 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -6.269 -3.341 -10.514 1.00 0.00 H new ATOM 506 N ALA A 297 -4.103 2.222 -7.322 1.00 0.00 N ATOM 507 CA ALA A 297 -3.684 3.282 -8.281 1.00 0.00 C ATOM 508 C ALA A 297 -2.290 3.801 -7.918 1.00 0.00 C ATOM 509 O ALA A 297 -1.333 3.591 -8.637 1.00 0.00 O ATOM 510 CB ALA A 297 -4.726 4.390 -8.126 1.00 0.00 C ATOM 0 H ALA A 297 -5.072 2.280 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 297 -3.629 2.915 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -4.487 5.211 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -5.714 3.997 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -4.721 4.753 -7.098 1.00 0.00 H new ATOM 516 N LYS A 298 -2.169 4.476 -6.808 1.00 0.00 N ATOM 517 CA LYS A 298 -0.839 5.007 -6.400 1.00 0.00 C ATOM 518 C LYS A 298 0.244 3.950 -6.630 1.00 0.00 C ATOM 519 O LYS A 298 1.201 4.173 -7.345 1.00 0.00 O ATOM 520 CB LYS A 298 -0.978 5.320 -4.909 1.00 0.00 C ATOM 521 CG LYS A 298 -0.428 6.719 -4.626 1.00 0.00 C ATOM 522 CD LYS A 298 -1.107 7.293 -3.381 1.00 0.00 C ATOM 523 CE LYS A 298 -1.326 8.796 -3.565 1.00 0.00 C ATOM 524 NZ LYS A 298 -2.804 8.976 -3.540 1.00 0.00 N ATOM 0 H LYS A 298 -2.934 4.683 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.550 5.887 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -2.025 5.262 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.438 4.579 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 298 0.651 6.674 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -0.604 7.370 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -2.061 6.794 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.491 7.110 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -0.846 9.365 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -0.902 9.144 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -3.122 9.362 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -3.263 8.058 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -3.061 9.634 -2.777 1.00 0.00 H new ATOM 538 N LEU A 299 0.100 2.801 -6.026 1.00 0.00 N ATOM 539 CA LEU A 299 1.117 1.727 -6.206 1.00 0.00 C ATOM 540 C LEU A 299 1.559 1.652 -7.670 1.00 0.00 C ATOM 541 O LEU A 299 2.688 1.322 -7.971 1.00 0.00 O ATOM 542 CB LEU A 299 0.404 0.438 -5.795 1.00 0.00 C ATOM 543 CG LEU A 299 1.440 -0.614 -5.396 1.00 0.00 C ATOM 544 CD1 LEU A 299 1.318 -0.908 -3.900 1.00 0.00 C ATOM 545 CD2 LEU A 299 1.191 -1.899 -6.189 1.00 0.00 C ATOM 0 H LEU A 299 -0.680 2.560 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 299 2.015 1.906 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -0.271 0.633 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.206 0.069 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 299 2.441 -0.240 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 299 2.056 -1.658 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 299 1.493 0.007 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.318 -1.283 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 299 1.929 -2.650 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.191 -2.273 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.276 -1.691 -7.256 1.00 0.00 H new