USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 138 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 169 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0573) USER MOD Single : A 173 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 181 GLN : amide:sc= 0.146 K(o=0.15,f=-1.3) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 264 N LYS A 169 -11.827 -6.224 -1.850 1.00 0.00 N ATOM 265 CA LYS A 169 -10.826 -5.983 -0.862 1.00 0.00 C ATOM 266 C LYS A 169 -9.633 -6.881 -1.123 1.00 0.00 C ATOM 267 O LYS A 169 -8.528 -6.610 -0.680 1.00 0.00 O ATOM 268 CB LYS A 169 -11.406 -6.183 0.533 1.00 0.00 C ATOM 269 CG LYS A 169 -10.636 -5.487 1.636 1.00 0.00 C ATOM 270 CD LYS A 169 -11.361 -5.617 2.964 1.00 0.00 C ATOM 271 CE LYS A 169 -10.720 -4.755 4.041 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.290 -5.078 4.257 1.00 0.00 N ATOM 0 HA LYS A 169 -10.484 -4.950 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.434 -5.822 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.441 -7.251 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.638 -5.918 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.508 -4.433 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.404 -5.327 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.355 -6.660 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -10.813 -3.705 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.263 -4.887 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.939 -4.561 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.185 -6.100 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.741 -4.800 3.419 1.00 0.00 H new ATOM 286 N GLU A 170 -9.864 -7.950 -1.858 1.00 0.00 N ATOM 287 CA GLU A 170 -8.822 -8.836 -2.275 1.00 0.00 C ATOM 288 C GLU A 170 -7.795 -8.145 -3.162 1.00 0.00 C ATOM 289 O GLU A 170 -6.587 -8.404 -3.030 1.00 0.00 O ATOM 290 CB GLU A 170 -9.360 -10.120 -2.911 1.00 0.00 C ATOM 291 CG GLU A 170 -10.659 -9.999 -3.684 1.00 0.00 C ATOM 292 CD GLU A 170 -11.844 -10.077 -2.756 1.00 0.00 C ATOM 293 OE1 GLU A 170 -12.219 -11.197 -2.376 1.00 0.00 O ATOM 294 OE2 GLU A 170 -12.381 -9.029 -2.347 1.00 0.00 O ATOM 0 H GLU A 170 -10.793 -8.222 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.300 -9.137 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.598 -10.513 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.500 -10.859 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.678 -9.054 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -10.721 -10.794 -4.427 1.00 0.00 H new ATOM 301 N ALA A 171 -8.249 -7.268 -4.053 1.00 0.00 N ATOM 302 CA ALA A 171 -7.325 -6.486 -4.858 1.00 0.00 C ATOM 303 C ALA A 171 -6.561 -5.540 -3.966 1.00 0.00 C ATOM 304 O ALA A 171 -5.380 -5.321 -4.153 1.00 0.00 O ATOM 305 CB ALA A 171 -8.044 -5.708 -5.939 1.00 0.00 C ATOM 0 H ALA A 171 -9.236 -7.085 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.637 -7.174 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.319 -5.136 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.570 -6.400 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.761 -5.026 -5.481 1.00 0.00 H new ATOM 311 N ALA A 172 -7.242 -5.026 -2.959 1.00 0.00 N ATOM 312 CA ALA A 172 -6.650 -4.108 -2.004 1.00 0.00 C ATOM 313 C ALA A 172 -5.532 -4.785 -1.218 1.00 0.00 C ATOM 314 O ALA A 172 -4.472 -4.195 -0.988 1.00 0.00 O ATOM 315 CB ALA A 172 -7.707 -3.578 -1.068 1.00 0.00 C ATOM 0 H ALA A 172 -8.224 -5.234 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.217 -3.273 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.251 -2.890 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.471 -3.053 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.165 -4.407 -0.529 1.00 0.00 H new ATOM 321 N GLN A 173 -5.772 -6.025 -0.837 1.00 0.00 N ATOM 322 CA GLN A 173 -4.803 -6.823 -0.109 1.00 0.00 C ATOM 323 C GLN A 173 -3.501 -6.966 -0.872 1.00 0.00 C ATOM 324 O GLN A 173 -2.418 -6.654 -0.352 1.00 0.00 O ATOM 325 CB GLN A 173 -5.350 -8.202 0.194 1.00 0.00 C ATOM 326 CG GLN A 173 -6.503 -8.225 1.171 1.00 0.00 C ATOM 327 CD GLN A 173 -6.799 -9.613 1.679 1.00 0.00 C ATOM 328 OE1 GLN A 173 -7.590 -10.361 1.093 1.00 0.00 O ATOM 329 NE2 GLN A 173 -6.192 -9.963 2.782 1.00 0.00 N ATOM 0 H GLN A 173 -6.649 -6.510 -1.025 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.606 -6.295 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.674 -8.662 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.543 -8.819 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -6.274 -7.574 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -7.393 -7.820 0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -5.546 -9.317 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -6.364 -10.882 3.189 1.00 0.00 H new ATOM 338 N LEU A 174 -3.608 -7.434 -2.095 1.00 0.00 N ATOM 339 CA LEU A 174 -2.446 -7.628 -2.944 1.00 0.00 C ATOM 340 C LEU A 174 -1.696 -6.320 -3.258 1.00 0.00 C ATOM 341 O LEU A 174 -0.491 -6.358 -3.545 1.00 0.00 O ATOM 342 CB LEU A 174 -2.802 -8.457 -4.201 1.00 0.00 C ATOM 343 CG LEU A 174 -3.872 -7.902 -5.153 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.300 -6.890 -6.140 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.596 -9.029 -5.860 1.00 0.00 C ATOM 0 H LEU A 174 -4.494 -7.690 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.729 -8.218 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.887 -8.602 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.129 -9.442 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.599 -7.361 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.095 -6.527 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.868 -6.052 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.527 -7.367 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.350 -8.614 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.881 -9.615 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.079 -9.670 -5.123 1.00 0.00 H new ATOM 357 N ARG A 175 -2.401 -5.164 -3.196 1.00 0.00 N ATOM 358 CA ARG A 175 -1.746 -3.855 -3.361 1.00 0.00 C ATOM 359 C ARG A 175 -0.710 -3.696 -2.266 1.00 0.00 C ATOM 360 O ARG A 175 0.460 -3.468 -2.532 1.00 0.00 O ATOM 361 CB ARG A 175 -2.732 -2.682 -3.224 1.00 0.00 C ATOM 362 CG ARG A 175 -3.940 -2.731 -4.118 1.00 0.00 C ATOM 363 CD ARG A 175 -4.826 -1.508 -3.904 1.00 0.00 C ATOM 364 NE ARG A 175 -6.134 -1.628 -4.572 1.00 0.00 N ATOM 365 CZ ARG A 175 -7.271 -1.045 -4.143 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.243 -0.224 -3.115 1.00 0.00 N ATOM 367 NH2 ARG A 175 -8.431 -1.273 -4.766 1.00 0.00 N ATOM 0 H ARG A 175 -3.407 -5.116 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.311 -3.832 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.072 -2.637 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.194 -1.755 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -3.624 -2.778 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.510 -3.638 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.981 -1.360 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.312 -0.622 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 175 -6.182 -2.193 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.361 -0.028 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.104 0.217 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -8.462 -1.894 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -9.285 -0.826 -4.433 1.00 0.00 H new ATOM 381 N GLU A 176 -1.161 -3.896 -1.031 1.00 0.00 N ATOM 382 CA GLU A 176 -0.340 -3.743 0.171 1.00 0.00 C ATOM 383 C GLU A 176 0.893 -4.631 0.106 1.00 0.00 C ATOM 384 O GLU A 176 1.991 -4.231 0.526 1.00 0.00 O ATOM 385 CB GLU A 176 -1.153 -4.117 1.399 1.00 0.00 C ATOM 386 CG GLU A 176 -2.428 -3.319 1.574 1.00 0.00 C ATOM 387 CD GLU A 176 -3.248 -3.820 2.729 1.00 0.00 C ATOM 388 OE1 GLU A 176 -4.053 -4.741 2.535 1.00 0.00 O ATOM 389 OE2 GLU A 176 -3.081 -3.315 3.859 1.00 0.00 O ATOM 0 H GLU A 176 -2.122 -4.173 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.022 -2.702 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.407 -5.176 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.532 -3.985 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.181 -2.269 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -3.018 -3.373 0.659 1.00 0.00 H new ATOM 396 N GLU A 177 0.705 -5.830 -0.418 1.00 0.00 N ATOM 397 CA GLU A 177 1.785 -6.785 -0.573 1.00 0.00 C ATOM 398 C GLU A 177 2.818 -6.286 -1.567 1.00 0.00 C ATOM 399 O GLU A 177 4.007 -6.179 -1.242 1.00 0.00 O ATOM 400 CB GLU A 177 1.251 -8.126 -1.023 1.00 0.00 C ATOM 401 CG GLU A 177 0.333 -8.785 -0.030 1.00 0.00 C ATOM 402 CD GLU A 177 -0.143 -10.108 -0.526 1.00 0.00 C ATOM 403 OE1 GLU A 177 0.612 -11.094 -0.442 1.00 0.00 O ATOM 404 OE2 GLU A 177 -1.281 -10.196 -1.020 1.00 0.00 O ATOM 0 H GLU A 177 -0.200 -6.167 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 177 2.265 -6.900 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.717 -7.995 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.091 -8.791 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.854 -8.916 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.522 -8.138 0.163 1.00 0.00 H new ATOM 411 N ARG A 178 2.366 -5.923 -2.762 1.00 0.00 N ATOM 412 CA ARG A 178 3.275 -5.471 -3.789 1.00 0.00 C ATOM 413 C ARG A 178 3.924 -4.134 -3.442 1.00 0.00 C ATOM 414 O ARG A 178 4.988 -3.814 -3.953 1.00 0.00 O ATOM 415 CB ARG A 178 2.648 -5.484 -5.189 1.00 0.00 C ATOM 416 CG ARG A 178 1.454 -4.580 -5.412 1.00 0.00 C ATOM 417 CD ARG A 178 0.904 -4.809 -6.805 1.00 0.00 C ATOM 418 NE ARG A 178 -0.293 -4.019 -7.096 1.00 0.00 N ATOM 419 CZ ARG A 178 -1.224 -4.369 -7.999 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.101 -5.500 -8.689 1.00 0.00 N ATOM 421 NH2 ARG A 178 -2.269 -3.592 -8.216 1.00 0.00 N ATOM 0 H ARG A 178 1.383 -5.935 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 178 4.083 -6.202 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.420 -5.211 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.347 -6.507 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.685 -4.784 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.746 -3.537 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.676 -4.568 -7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.670 -5.867 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.429 -3.149 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.296 -6.107 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -1.812 -5.760 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -2.373 -2.720 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.972 -3.863 -8.903 1.00 0.00 H new ATOM 435 N LEU A 179 3.292 -3.382 -2.563 1.00 0.00 N ATOM 436 CA LEU A 179 3.864 -2.144 -2.058 1.00 0.00 C ATOM 437 C LEU A 179 4.952 -2.405 -1.035 1.00 0.00 C ATOM 438 O LEU A 179 6.020 -1.780 -1.098 1.00 0.00 O ATOM 439 CB LEU A 179 2.804 -1.190 -1.491 1.00 0.00 C ATOM 440 CG LEU A 179 2.215 -0.163 -2.471 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.627 -0.831 -3.695 1.00 0.00 C ATOM 442 CD2 LEU A 179 1.164 0.692 -1.775 1.00 0.00 C ATOM 0 H LEU A 179 2.374 -3.607 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 179 4.316 -1.649 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.986 -1.788 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.244 -0.649 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 179 3.030 0.479 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.221 -0.072 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 179 2.405 -1.392 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 179 0.831 -1.511 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 179 0.756 1.414 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 179 0.362 0.053 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.621 1.221 -0.939 1.00 0.00 H new ATOM 454 N ARG A 180 4.722 -3.333 -0.103 1.00 0.00 N ATOM 455 CA ARG A 180 5.741 -3.600 0.906 1.00 0.00 C ATOM 456 C ARG A 180 6.979 -4.214 0.286 1.00 0.00 C ATOM 457 O ARG A 180 8.079 -3.822 0.620 1.00 0.00 O ATOM 458 CB ARG A 180 5.260 -4.431 2.130 1.00 0.00 C ATOM 459 CG ARG A 180 4.768 -5.842 1.830 1.00 0.00 C ATOM 460 CD ARG A 180 4.697 -6.685 3.104 1.00 0.00 C ATOM 461 NE ARG A 180 6.045 -6.909 3.687 1.00 0.00 N ATOM 462 CZ ARG A 180 6.308 -7.312 4.949 1.00 0.00 C ATOM 463 NH1 ARG A 180 5.314 -7.673 5.768 1.00 0.00 N ATOM 464 NH2 ARG A 180 7.571 -7.405 5.366 1.00 0.00 N ATOM 0 H ARG A 180 3.872 -3.892 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 180 5.988 -2.620 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 180 6.081 -4.498 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.455 -3.884 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.783 -5.796 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.436 -6.318 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.062 -6.186 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.233 -7.645 2.880 1.00 0.00 H new ATOM 0 HE ARG A 180 6.846 -6.743 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 180 4.348 -7.645 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.522 -7.976 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 180 8.336 -7.172 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.772 -7.709 6.319 1.00 0.00 H new ATOM 478 N GLN A 181 6.791 -5.127 -0.663 1.00 0.00 N ATOM 479 CA GLN A 181 7.921 -5.779 -1.324 1.00 0.00 C ATOM 480 C GLN A 181 8.702 -4.763 -2.151 1.00 0.00 C ATOM 481 O GLN A 181 9.911 -4.822 -2.237 1.00 0.00 O ATOM 482 CB GLN A 181 7.444 -6.999 -2.166 1.00 0.00 C ATOM 483 CG GLN A 181 6.581 -6.682 -3.394 1.00 0.00 C ATOM 484 CD GLN A 181 7.383 -6.317 -4.637 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.480 -6.822 -4.859 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.879 -5.398 -5.418 1.00 0.00 N ATOM 0 H GLN A 181 5.874 -5.431 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 181 8.600 -6.173 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.324 -7.550 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.879 -7.665 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.955 -7.546 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.911 -5.857 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.965 -4.996 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.400 -5.083 -6.237 1.00 0.00 H new ATOM 495 N TYR A 182 7.981 -3.794 -2.694 1.00 0.00 N ATOM 496 CA TYR A 182 8.558 -2.747 -3.532 1.00 0.00 C ATOM 497 C TYR A 182 9.575 -1.935 -2.740 1.00 0.00 C ATOM 498 O TYR A 182 10.654 -1.588 -3.245 1.00 0.00 O ATOM 499 CB TYR A 182 7.446 -1.835 -4.069 1.00 0.00 C ATOM 500 CG TYR A 182 7.890 -0.769 -5.049 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.142 -1.090 -6.372 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.038 0.556 -4.657 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.534 -0.130 -7.281 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.425 1.527 -5.563 1.00 0.00 C ATOM 505 CZ TYR A 182 8.671 1.177 -6.874 1.00 0.00 C ATOM 506 OH TYR A 182 9.044 2.145 -7.787 1.00 0.00 O ATOM 0 H TYR A 182 6.973 -3.709 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 182 9.070 -3.211 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.693 -2.457 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.961 -1.347 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.029 -2.113 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.848 0.832 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 182 8.732 -0.403 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.534 2.553 -5.245 1.00 0.00 H new ATOM 0 HH TYR A 182 9.094 3.015 -7.339 1.00 0.00 H new ATOM 516 N ALA A 183 9.229 -1.649 -1.507 1.00 0.00 N ATOM 517 CA ALA A 183 10.096 -0.913 -0.623 1.00 0.00 C ATOM 518 C ALA A 183 11.130 -1.835 0.015 1.00 0.00 C ATOM 519 O ALA A 183 12.286 -1.478 0.136 1.00 0.00 O ATOM 520 CB ALA A 183 9.280 -0.200 0.446 1.00 0.00 C ATOM 0 H ALA A 183 8.339 -1.921 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 183 10.628 -0.164 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.949 0.352 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.585 0.493 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.721 -0.934 1.027 1.00 0.00 H new ATOM 526 N GLU A 184 10.707 -3.037 0.376 1.00 0.00 N ATOM 527 CA GLU A 184 11.558 -3.990 1.082 1.00 0.00 C ATOM 528 C GLU A 184 12.699 -4.518 0.189 1.00 0.00 C ATOM 529 O GLU A 184 13.770 -4.862 0.685 1.00 0.00 O ATOM 530 CB GLU A 184 10.715 -5.135 1.654 1.00 0.00 C ATOM 531 CG GLU A 184 11.450 -6.040 2.626 1.00 0.00 C ATOM 532 CD GLU A 184 10.574 -7.147 3.146 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.906 -6.965 4.186 1.00 0.00 O ATOM 534 OE2 GLU A 184 10.554 -8.235 2.533 1.00 0.00 O ATOM 0 H GLU A 184 9.765 -3.382 0.189 1.00 0.00 H new ATOM 0 HA GLU A 184 12.031 -3.465 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.847 -4.712 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.340 -5.740 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.321 -6.470 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.819 -5.448 3.463 1.00 0.00 H new