USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 266 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 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -154:sc= -0.0312 (180deg=-1.03) USER MOD Single : A 37 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -175:sc= 1.84 USER MOD Single : A 43 THR OG1 : rot 130:sc= 0.0365 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 38.469 1.171 -16.956 1.00 0.00 N ATOM 298 CA ALA A 22 37.824 1.496 -15.696 1.00 0.00 C ATOM 299 C ALA A 22 37.815 3.015 -15.509 1.00 0.00 C ATOM 300 O ALA A 22 36.819 3.584 -15.065 1.00 0.00 O ATOM 301 CB ALA A 22 38.540 0.773 -14.553 1.00 0.00 C ATOM 0 HA ALA A 22 36.788 1.157 -15.698 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.055 1.017 -13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 38.493 -0.304 -14.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 39.582 1.089 -14.519 1.00 0.00 H new ATOM 307 N LEU A 23 38.936 3.628 -15.858 1.00 0.00 N ATOM 308 CA LEU A 23 39.070 5.070 -15.735 1.00 0.00 C ATOM 309 C LEU A 23 38.167 5.752 -16.765 1.00 0.00 C ATOM 310 O LEU A 23 37.358 6.609 -16.414 1.00 0.00 O ATOM 311 CB LEU A 23 40.540 5.482 -15.837 1.00 0.00 C ATOM 312 CG LEU A 23 40.804 6.912 -16.312 1.00 0.00 C ATOM 313 CD1 LEU A 23 40.130 7.929 -15.389 1.00 0.00 C ATOM 314 CD2 LEU A 23 42.305 7.175 -16.455 1.00 0.00 C ATOM 0 H LEU A 23 39.760 3.153 -16.226 1.00 0.00 H new ATOM 0 HA LEU A 23 38.738 5.401 -14.751 1.00 0.00 H new ATOM 0 HB2 LEU A 23 41.001 5.355 -14.858 1.00 0.00 H new ATOM 0 HB3 LEU A 23 41.043 4.795 -16.518 1.00 0.00 H new ATOM 0 HG LEU A 23 40.361 7.030 -17.301 1.00 0.00 H new ATOM 0 HD11 LEU A 23 40.333 8.938 -15.749 1.00 0.00 H new ATOM 0 HD12 LEU A 23 39.054 7.756 -15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 23 40.522 7.819 -14.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.464 8.199 -16.794 1.00 0.00 H new ATOM 0 HD22 LEU A 23 42.793 7.032 -15.491 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.728 6.482 -17.182 1.00 0.00 H new ATOM 326 N ASP A 24 38.337 5.345 -18.014 1.00 0.00 N ATOM 327 CA ASP A 24 37.547 5.906 -19.097 1.00 0.00 C ATOM 328 C ASP A 24 36.063 5.835 -18.731 1.00 0.00 C ATOM 329 O ASP A 24 35.294 6.735 -19.063 1.00 0.00 O ATOM 330 CB ASP A 24 37.752 5.120 -20.393 1.00 0.00 C ATOM 331 CG ASP A 24 38.476 5.882 -21.505 1.00 0.00 C ATOM 332 OD1 ASP A 24 37.779 6.625 -22.230 1.00 0.00 O ATOM 333 OD2 ASP A 24 39.709 5.705 -21.605 1.00 0.00 O ATOM 0 H ASP A 24 39.010 4.634 -18.300 1.00 0.00 H new ATOM 0 HA ASP A 24 37.866 6.938 -19.247 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.317 4.216 -20.166 1.00 0.00 H new ATOM 0 HB3 ASP A 24 36.778 4.803 -20.766 1.00 0.00 H new ATOM 338 N VAL A 25 35.706 4.756 -18.050 1.00 0.00 N ATOM 339 CA VAL A 25 34.328 4.555 -17.635 1.00 0.00 C ATOM 340 C VAL A 25 33.895 5.718 -16.739 1.00 0.00 C ATOM 341 O VAL A 25 32.877 6.357 -16.995 1.00 0.00 O ATOM 342 CB VAL A 25 34.179 3.191 -16.958 1.00 0.00 C ATOM 343 CG1 VAL A 25 32.749 2.982 -16.456 1.00 0.00 C ATOM 344 CG2 VAL A 25 34.600 2.062 -17.901 1.00 0.00 C ATOM 0 H VAL A 25 36.347 4.012 -17.775 1.00 0.00 H new ATOM 0 HA VAL A 25 33.666 4.547 -18.501 1.00 0.00 H new ATOM 0 HB VAL A 25 34.844 3.171 -16.094 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.670 2.005 -15.979 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.500 3.760 -15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.057 3.032 -17.297 1.00 0.00 H new ATOM 0 HG21 VAL A 25 34.484 1.103 -17.395 1.00 0.00 H new ATOM 0 HG22 VAL A 25 33.973 2.080 -18.793 1.00 0.00 H new ATOM 0 HG23 VAL A 25 35.643 2.197 -18.188 1.00 0.00 H new ATOM 354 N LEU A 26 34.691 5.956 -15.707 1.00 0.00 N ATOM 355 CA LEU A 26 34.404 7.030 -14.772 1.00 0.00 C ATOM 356 C LEU A 26 34.251 8.343 -15.542 1.00 0.00 C ATOM 357 O LEU A 26 33.381 9.154 -15.228 1.00 0.00 O ATOM 358 CB LEU A 26 35.466 7.081 -13.672 1.00 0.00 C ATOM 359 CG LEU A 26 35.317 6.054 -12.548 1.00 0.00 C ATOM 360 CD1 LEU A 26 36.685 5.621 -12.017 1.00 0.00 C ATOM 361 CD2 LEU A 26 34.413 6.587 -11.434 1.00 0.00 C ATOM 0 H LEU A 26 35.535 5.423 -15.498 1.00 0.00 H new ATOM 0 HA LEU A 26 33.459 6.848 -14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 36.445 6.947 -14.133 1.00 0.00 H new ATOM 0 HB3 LEU A 26 35.456 8.078 -13.230 1.00 0.00 H new ATOM 0 HG LEU A 26 34.834 5.167 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 26 36.551 4.891 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 37.264 5.173 -12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 26 37.216 6.490 -11.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 34.324 5.837 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 26 34.845 7.498 -11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 26 33.425 6.806 -11.840 1.00 0.00 H new ATOM 373 N LEU A 27 35.111 8.512 -16.536 1.00 0.00 N ATOM 374 CA LEU A 27 35.083 9.714 -17.353 1.00 0.00 C ATOM 375 C LEU A 27 33.735 9.806 -18.071 1.00 0.00 C ATOM 376 O LEU A 27 33.194 10.897 -18.247 1.00 0.00 O ATOM 377 CB LEU A 27 36.286 9.747 -18.298 1.00 0.00 C ATOM 378 CG LEU A 27 37.663 9.760 -17.631 1.00 0.00 C ATOM 379 CD1 LEU A 27 38.777 9.616 -18.669 1.00 0.00 C ATOM 380 CD2 LEU A 27 37.842 11.011 -16.768 1.00 0.00 C ATOM 0 H LEU A 27 35.831 7.837 -16.794 1.00 0.00 H new ATOM 0 HA LEU A 27 35.173 10.602 -16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 36.231 8.879 -18.955 1.00 0.00 H new ATOM 0 HB3 LEU A 27 36.202 10.631 -18.930 1.00 0.00 H new ATOM 0 HG LEU A 27 37.729 8.898 -16.967 1.00 0.00 H new ATOM 0 HD11 LEU A 27 39.745 9.628 -18.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 38.657 8.674 -19.203 1.00 0.00 H new ATOM 0 HD13 LEU A 27 38.724 10.443 -19.377 1.00 0.00 H new ATOM 0 HD21 LEU A 27 38.829 10.996 -16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 27 37.747 11.900 -17.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 37.077 11.030 -15.991 1.00 0.00 H new ATOM 392 N SER A 28 33.230 8.646 -18.466 1.00 0.00 N ATOM 393 CA SER A 28 31.956 8.582 -19.160 1.00 0.00 C ATOM 394 C SER A 28 30.815 8.899 -18.191 1.00 0.00 C ATOM 395 O SER A 28 29.824 9.518 -18.574 1.00 0.00 O ATOM 396 CB SER A 28 31.744 7.207 -19.797 1.00 0.00 C ATOM 397 OG SER A 28 30.719 7.230 -20.787 1.00 0.00 O ATOM 0 H SER A 28 33.681 7.743 -18.318 1.00 0.00 H new ATOM 0 HA SER A 28 31.964 9.325 -19.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 32.677 6.869 -20.248 1.00 0.00 H new ATOM 0 HB3 SER A 28 31.484 6.485 -19.023 1.00 0.00 H new ATOM 0 HG SER A 28 30.615 6.334 -21.171 1.00 0.00 H new ATOM 403 N MET A 29 30.993 8.459 -16.953 1.00 0.00 N ATOM 404 CA MET A 29 29.992 8.689 -15.926 1.00 0.00 C ATOM 405 C MET A 29 29.835 10.183 -15.636 1.00 0.00 C ATOM 406 O MET A 29 28.781 10.624 -15.182 1.00 0.00 O ATOM 407 CB MET A 29 30.398 7.959 -14.644 1.00 0.00 C ATOM 408 CG MET A 29 29.939 6.500 -14.674 1.00 0.00 C ATOM 409 SD MET A 29 30.106 5.774 -13.052 1.00 0.00 S ATOM 410 CE MET A 29 30.848 4.210 -13.488 1.00 0.00 C ATOM 0 H MET A 29 31.816 7.945 -16.639 1.00 0.00 H new ATOM 0 HA MET A 29 29.037 8.307 -16.285 1.00 0.00 H new ATOM 0 HB2 MET A 29 31.481 8.001 -14.525 1.00 0.00 H new ATOM 0 HB3 MET A 29 29.963 8.463 -13.781 1.00 0.00 H new ATOM 0 HG2 MET A 29 28.901 6.443 -15.002 1.00 0.00 H new ATOM 0 HG3 MET A 29 30.532 5.938 -15.396 1.00 0.00 H new ATOM 0 HE1 MET A 29 30.610 3.469 -12.725 1.00 0.00 H new ATOM 0 HE2 MET A 29 30.458 3.878 -14.450 1.00 0.00 H new ATOM 0 HE3 MET A 29 31.930 4.327 -13.555 1.00 0.00 H new ATOM 420 N GLY A 30 30.901 10.921 -15.911 1.00 0.00 N ATOM 421 CA GLY A 30 30.896 12.356 -15.685 1.00 0.00 C ATOM 422 C GLY A 30 31.881 12.741 -14.579 1.00 0.00 C ATOM 423 O GLY A 30 31.724 13.779 -13.938 1.00 0.00 O ATOM 0 H GLY A 30 31.774 10.552 -16.288 1.00 0.00 H new ATOM 0 HA2 GLY A 30 31.159 12.874 -16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 30 29.892 12.681 -15.412 1.00 0.00 H new ATOM 427 N PHE A 31 32.873 11.884 -14.391 1.00 0.00 N ATOM 428 CA PHE A 31 33.884 12.121 -13.374 1.00 0.00 C ATOM 429 C PHE A 31 35.218 12.517 -14.008 1.00 0.00 C ATOM 430 O PHE A 31 35.566 12.033 -15.084 1.00 0.00 O ATOM 431 CB PHE A 31 34.066 10.808 -12.609 1.00 0.00 C ATOM 432 CG PHE A 31 32.931 10.495 -11.632 1.00 0.00 C ATOM 433 CD1 PHE A 31 31.814 9.853 -12.070 1.00 0.00 C ATOM 434 CD2 PHE A 31 33.039 10.858 -10.326 1.00 0.00 C ATOM 435 CE1 PHE A 31 30.761 9.562 -11.163 1.00 0.00 C ATOM 436 CE2 PHE A 31 31.986 10.566 -9.419 1.00 0.00 C ATOM 437 CZ PHE A 31 30.869 9.925 -9.856 1.00 0.00 C ATOM 0 H PHE A 31 32.999 11.024 -14.925 1.00 0.00 H new ATOM 0 HA PHE A 31 33.569 12.933 -12.719 1.00 0.00 H new ATOM 0 HB2 PHE A 31 34.151 9.991 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 31 35.006 10.848 -12.058 1.00 0.00 H new ATOM 0 HD1 PHE A 31 31.728 9.565 -13.107 1.00 0.00 H new ATOM 0 HD2 PHE A 31 33.925 11.368 -9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.874 9.053 -11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 31 32.072 10.853 -8.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 30.068 9.704 -9.166 1.00 0.00 H new ATOM 447 N PRO A 32 35.948 13.418 -13.297 1.00 0.00 N ATOM 448 CA PRO A 32 37.237 13.885 -13.780 1.00 0.00 C ATOM 449 C PRO A 32 38.313 12.813 -13.593 1.00 0.00 C ATOM 450 O PRO A 32 38.345 12.132 -12.570 1.00 0.00 O ATOM 451 CB PRO A 32 37.517 15.152 -12.989 1.00 0.00 C ATOM 452 CG PRO A 32 36.606 15.095 -11.773 1.00 0.00 C ATOM 453 CD PRO A 32 35.567 14.013 -12.020 1.00 0.00 C ATOM 0 HA PRO A 32 37.236 14.091 -14.850 1.00 0.00 H new ATOM 0 HB2 PRO A 32 38.564 15.202 -12.690 1.00 0.00 H new ATOM 0 HB3 PRO A 32 37.313 16.039 -13.588 1.00 0.00 H new ATOM 0 HG2 PRO A 32 37.182 14.873 -10.874 1.00 0.00 H new ATOM 0 HG3 PRO A 32 36.123 16.059 -11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 32 35.570 13.271 -11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 32 34.562 14.432 -12.063 1.00 0.00 H new ATOM 461 N ARG A 33 39.168 12.698 -14.598 1.00 0.00 N ATOM 462 CA ARG A 33 40.243 11.721 -14.558 1.00 0.00 C ATOM 463 C ARG A 33 40.845 11.652 -13.153 1.00 0.00 C ATOM 464 O ARG A 33 40.780 10.614 -12.496 1.00 0.00 O ATOM 465 CB ARG A 33 41.344 12.072 -15.561 1.00 0.00 C ATOM 466 CG ARG A 33 42.472 11.038 -15.521 1.00 0.00 C ATOM 467 CD ARG A 33 43.358 11.145 -16.764 1.00 0.00 C ATOM 468 NE ARG A 33 44.776 11.283 -16.364 1.00 0.00 N ATOM 469 CZ ARG A 33 45.806 11.227 -17.219 1.00 0.00 C ATOM 470 NH1 ARG A 33 45.582 11.037 -18.526 1.00 0.00 N ATOM 471 NH2 ARG A 33 47.060 11.362 -16.766 1.00 0.00 N ATOM 0 H ARG A 33 39.138 13.265 -15.445 1.00 0.00 H new ATOM 0 HA ARG A 33 39.821 10.752 -14.824 1.00 0.00 H new ATOM 0 HB2 ARG A 33 40.924 12.119 -16.566 1.00 0.00 H new ATOM 0 HB3 ARG A 33 41.744 13.061 -15.336 1.00 0.00 H new ATOM 0 HG2 ARG A 33 43.076 11.187 -14.626 1.00 0.00 H new ATOM 0 HG3 ARG A 33 42.049 10.035 -15.457 1.00 0.00 H new ATOM 0 HD2 ARG A 33 43.232 10.260 -17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 33 43.055 12.003 -17.364 1.00 0.00 H new ATOM 0 HE ARG A 33 44.982 11.430 -15.376 1.00 0.00 H new ATOM 0 HH11 ARG A 33 44.627 10.935 -18.870 1.00 0.00 H new ATOM 0 HH12 ARG A 33 46.366 10.994 -19.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 47.230 11.507 -15.771 1.00 0.00 H new ATOM 0 HH22 ARG A 33 47.845 11.319 -17.416 1.00 0.00 H new ATOM 485 N ALA A 34 41.418 12.771 -12.734 1.00 0.00 N ATOM 486 CA ALA A 34 42.031 12.850 -11.419 1.00 0.00 C ATOM 487 C ALA A 34 41.138 12.138 -10.401 1.00 0.00 C ATOM 488 O ALA A 34 41.543 11.142 -9.804 1.00 0.00 O ATOM 489 CB ALA A 34 42.275 14.317 -11.057 1.00 0.00 C ATOM 0 H ALA A 34 41.471 13.630 -13.282 1.00 0.00 H new ATOM 0 HA ALA A 34 42.999 12.348 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.735 14.377 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 42.939 14.768 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.326 14.852 -11.048 1.00 0.00 H new ATOM 495 N ARG A 35 39.940 12.678 -10.233 1.00 0.00 N ATOM 496 CA ARG A 35 38.986 12.107 -9.298 1.00 0.00 C ATOM 497 C ARG A 35 39.005 10.580 -9.386 1.00 0.00 C ATOM 498 O ARG A 35 39.264 9.900 -8.394 1.00 0.00 O ATOM 499 CB ARG A 35 37.569 12.610 -9.580 1.00 0.00 C ATOM 500 CG ARG A 35 37.230 13.816 -8.701 1.00 0.00 C ATOM 501 CD ARG A 35 37.052 13.397 -7.240 1.00 0.00 C ATOM 502 NE ARG A 35 37.875 14.259 -6.363 1.00 0.00 N ATOM 503 CZ ARG A 35 37.926 14.142 -5.029 1.00 0.00 C ATOM 504 NH1 ARG A 35 37.202 13.200 -4.411 1.00 0.00 N ATOM 505 NH2 ARG A 35 38.701 14.969 -4.313 1.00 0.00 N ATOM 0 H ARG A 35 39.608 13.505 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 35 39.277 12.420 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.479 12.885 -10.631 1.00 0.00 H new ATOM 0 HB3 ARG A 35 36.852 11.809 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.024 14.559 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 35 36.316 14.288 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.002 13.473 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.342 12.354 -7.114 1.00 0.00 H new ATOM 0 HE ARG A 35 38.439 14.988 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.612 12.571 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.241 13.111 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 35 39.252 15.687 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 35 38.740 14.880 -3.298 1.00 0.00 H new ATOM 519 N ALA A 36 38.727 10.085 -10.583 1.00 0.00 N ATOM 520 CA ALA A 36 38.709 8.650 -10.814 1.00 0.00 C ATOM 521 C ALA A 36 40.070 8.060 -10.438 1.00 0.00 C ATOM 522 O ALA A 36 40.141 7.002 -9.814 1.00 0.00 O ATOM 523 CB ALA A 36 38.336 8.372 -12.271 1.00 0.00 C ATOM 0 H ALA A 36 38.512 10.652 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 36 37.957 8.170 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.323 7.296 -12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 36 37.349 8.785 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 36 39.070 8.836 -12.929 1.00 0.00 H new ATOM 529 N GLN A 37 41.116 8.770 -10.833 1.00 0.00 N ATOM 530 CA GLN A 37 42.471 8.330 -10.545 1.00 0.00 C ATOM 531 C GLN A 37 42.657 8.136 -9.039 1.00 0.00 C ATOM 532 O GLN A 37 42.941 7.030 -8.582 1.00 0.00 O ATOM 533 CB GLN A 37 43.498 9.317 -11.103 1.00 0.00 C ATOM 534 CG GLN A 37 44.074 8.818 -12.430 1.00 0.00 C ATOM 535 CD GLN A 37 45.553 8.455 -12.284 1.00 0.00 C ATOM 536 OE1 GLN A 37 46.112 8.444 -11.200 1.00 0.00 O ATOM 537 NE2 GLN A 37 46.153 8.160 -13.434 1.00 0.00 N ATOM 0 H GLN A 37 41.053 9.647 -11.350 1.00 0.00 H new ATOM 0 HA GLN A 37 42.634 7.371 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 37 43.030 10.291 -11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 37 44.304 9.455 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 37 43.514 7.947 -12.769 1.00 0.00 H new ATOM 0 HG3 GLN A 37 43.958 9.588 -13.193 1.00 0.00 H new ATOM 0 HE21 GLN A 37 45.625 8.189 -14.307 1.00 0.00 H new ATOM 0 HE22 GLN A 37 47.141 7.905 -13.443 1.00 0.00 H new ATOM 546 N LYS A 38 42.490 9.229 -8.309 1.00 0.00 N ATOM 547 CA LYS A 38 42.636 9.194 -6.864 1.00 0.00 C ATOM 548 C LYS A 38 41.879 7.986 -6.308 1.00 0.00 C ATOM 549 O LYS A 38 42.427 7.211 -5.526 1.00 0.00 O ATOM 550 CB LYS A 38 42.204 10.526 -6.249 1.00 0.00 C ATOM 551 CG LYS A 38 42.734 10.668 -4.820 1.00 0.00 C ATOM 552 CD LYS A 38 43.970 11.569 -4.781 1.00 0.00 C ATOM 553 CE LYS A 38 43.869 12.589 -3.645 1.00 0.00 C ATOM 554 NZ LYS A 38 44.659 12.143 -2.476 1.00 0.00 N ATOM 0 H LYS A 38 42.255 10.145 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 38 43.684 9.068 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 42.572 11.350 -6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 38 41.116 10.593 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.956 11.084 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 38 42.984 9.685 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 44.864 10.960 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 38 44.076 12.089 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 38 44.230 13.559 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.826 12.720 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 44.579 12.847 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 44.297 11.228 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 45.657 12.041 -2.750 1.00 0.00 H new ATOM 568 N ALA A 39 40.630 7.863 -6.735 1.00 0.00 N ATOM 569 CA ALA A 39 39.792 6.763 -6.290 1.00 0.00 C ATOM 570 C ALA A 39 40.429 5.438 -6.716 1.00 0.00 C ATOM 571 O ALA A 39 40.774 4.612 -5.872 1.00 0.00 O ATOM 572 CB ALA A 39 38.380 6.938 -6.851 1.00 0.00 C ATOM 0 H ALA A 39 40.179 8.507 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 39 39.712 6.756 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 37.751 6.113 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 39 37.962 7.880 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 39 38.420 6.946 -7.940 1.00 0.00 H new ATOM 578 N LEU A 40 40.564 5.277 -8.024 1.00 0.00 N ATOM 579 CA LEU A 40 41.153 4.067 -8.571 1.00 0.00 C ATOM 580 C LEU A 40 42.359 3.662 -7.722 1.00 0.00 C ATOM 581 O LEU A 40 42.380 2.577 -7.144 1.00 0.00 O ATOM 582 CB LEU A 40 41.480 4.254 -10.054 1.00 0.00 C ATOM 583 CG LEU A 40 40.300 4.132 -11.022 1.00 0.00 C ATOM 584 CD1 LEU A 40 40.498 5.033 -12.243 1.00 0.00 C ATOM 585 CD2 LEU A 40 40.063 2.674 -11.417 1.00 0.00 C ATOM 0 H LEU A 40 40.276 5.964 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 40 40.441 3.243 -8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 40 41.932 5.237 -10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 42.233 3.518 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 40 39.401 4.476 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 40 39.646 4.928 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 40 40.579 6.071 -11.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 41.410 4.743 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 39.219 2.616 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 40.955 2.279 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 39.845 2.086 -10.525 1.00 0.00 H new ATOM 597 N ALA A 41 43.335 4.557 -7.674 1.00 0.00 N ATOM 598 CA ALA A 41 44.542 4.307 -6.904 1.00 0.00 C ATOM 599 C ALA A 41 44.162 3.719 -5.544 1.00 0.00 C ATOM 600 O ALA A 41 44.560 2.604 -5.212 1.00 0.00 O ATOM 601 CB ALA A 41 45.344 5.603 -6.777 1.00 0.00 C ATOM 0 H ALA A 41 43.315 5.456 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 41 45.177 3.580 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 41 46.249 5.416 -6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 45.615 5.962 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 44.740 6.356 -6.271 1.00 0.00 H new ATOM 607 N SER A 42 43.398 4.497 -4.792 1.00 0.00 N ATOM 608 CA SER A 42 42.960 4.068 -3.475 1.00 0.00 C ATOM 609 C SER A 42 42.487 2.614 -3.528 1.00 0.00 C ATOM 610 O SER A 42 42.994 1.766 -2.796 1.00 0.00 O ATOM 611 CB SER A 42 41.843 4.970 -2.945 1.00 0.00 C ATOM 612 OG SER A 42 42.319 6.274 -2.620 1.00 0.00 O ATOM 0 H SER A 42 43.071 5.422 -5.070 1.00 0.00 H new ATOM 0 HA SER A 42 43.806 4.143 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 42 41.054 5.048 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 42 41.399 4.515 -2.060 1.00 0.00 H new ATOM 0 HG SER A 42 41.594 6.795 -2.216 1.00 0.00 H new ATOM 618 N THR A 43 41.520 2.372 -4.402 1.00 0.00 N ATOM 619 CA THR A 43 40.973 1.035 -4.561 1.00 0.00 C ATOM 620 C THR A 43 41.736 0.272 -5.646 1.00 0.00 C ATOM 621 O THR A 43 41.158 -0.552 -6.353 1.00 0.00 O ATOM 622 CB THR A 43 39.477 1.168 -4.849 1.00 0.00 C ATOM 623 OG1 THR A 43 39.413 2.088 -5.935 1.00 0.00 O ATOM 624 CG2 THR A 43 38.723 1.872 -3.719 1.00 0.00 C ATOM 0 H THR A 43 41.102 3.079 -5.007 1.00 0.00 H new ATOM 0 HA THR A 43 41.092 0.448 -3.651 1.00 0.00 H new ATOM 0 HB THR A 43 39.049 0.178 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.848 1.718 -6.645 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.666 1.940 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.837 1.304 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.128 2.874 -3.581 1.00 0.00 H new ATOM 632 N GLY A 44 43.022 0.573 -5.743 1.00 0.00 N ATOM 633 CA GLY A 44 43.870 -0.074 -6.730 1.00 0.00 C ATOM 634 C GLY A 44 43.437 0.295 -8.150 1.00 0.00 C ATOM 635 O GLY A 44 44.021 1.182 -8.771 1.00 0.00 O ATOM 0 H GLY A 44 43.498 1.257 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 44 44.907 0.222 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.824 -1.155 -6.601 1.00 0.00 H new ATOM 639 N GLY A 45 42.417 -0.405 -8.624 1.00 0.00 N ATOM 640 CA GLY A 45 41.899 -0.163 -9.960 1.00 0.00 C ATOM 641 C GLY A 45 41.329 -1.446 -10.568 1.00 0.00 C ATOM 642 O GLY A 45 41.771 -1.885 -11.628 1.00 0.00 O ATOM 0 H GLY A 45 41.935 -1.140 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 45 41.122 0.601 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 45 42.694 0.224 -10.598 1.00 0.00 H new ATOM 646 N ARG A 46 40.354 -2.011 -9.870 1.00 0.00 N ATOM 647 CA ARG A 46 39.718 -3.234 -10.328 1.00 0.00 C ATOM 648 C ARG A 46 38.312 -2.938 -10.854 1.00 0.00 C ATOM 649 O ARG A 46 37.997 -3.246 -12.002 1.00 0.00 O ATOM 650 CB ARG A 46 39.627 -4.263 -9.200 1.00 0.00 C ATOM 651 CG ARG A 46 40.940 -5.034 -9.053 1.00 0.00 C ATOM 652 CD ARG A 46 41.814 -4.425 -7.954 1.00 0.00 C ATOM 653 NE ARG A 46 43.060 -3.884 -8.540 1.00 0.00 N ATOM 654 CZ ARG A 46 44.056 -4.643 -9.019 1.00 0.00 C ATOM 655 NH1 ARG A 46 43.957 -5.978 -8.984 1.00 0.00 N ATOM 656 NH2 ARG A 46 45.150 -4.065 -9.532 1.00 0.00 N ATOM 0 H ARG A 46 39.989 -1.644 -8.991 1.00 0.00 H new ATOM 0 HA ARG A 46 40.330 -3.645 -11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 46 39.390 -3.760 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 46 38.813 -4.959 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 46 40.729 -6.077 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 46 41.480 -5.023 -10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 46 41.269 -3.632 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 42.053 -5.182 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 46 43.168 -2.871 -8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 46 43.124 -6.418 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 46 44.715 -6.555 -9.348 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.225 -3.048 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 46 45.908 -4.642 -9.897 1.00 0.00 H new ATOM 670 N SER A 47 37.505 -2.343 -9.988 1.00 0.00 N ATOM 671 CA SER A 47 36.140 -2.001 -10.350 1.00 0.00 C ATOM 672 C SER A 47 35.902 -0.504 -10.141 1.00 0.00 C ATOM 673 O SER A 47 36.505 0.106 -9.259 1.00 0.00 O ATOM 674 CB SER A 47 35.133 -2.817 -9.537 1.00 0.00 C ATOM 675 OG SER A 47 33.792 -2.578 -9.953 1.00 0.00 O ATOM 0 H SER A 47 37.770 -2.089 -9.036 1.00 0.00 H new ATOM 0 HA SER A 47 35.996 -2.242 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 47 35.360 -3.878 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 47 35.234 -2.569 -8.480 1.00 0.00 H new ATOM 0 HG SER A 47 33.180 -3.119 -9.411 1.00 0.00 H new ATOM 681 N VAL A 48 35.023 0.044 -10.966 1.00 0.00 N ATOM 682 CA VAL A 48 34.698 1.458 -10.883 1.00 0.00 C ATOM 683 C VAL A 48 33.670 1.675 -9.770 1.00 0.00 C ATOM 684 O VAL A 48 33.668 2.718 -9.117 1.00 0.00 O ATOM 685 CB VAL A 48 34.221 1.966 -12.245 1.00 0.00 C ATOM 686 CG1 VAL A 48 35.374 2.005 -13.250 1.00 0.00 C ATOM 687 CG2 VAL A 48 33.062 1.118 -12.772 1.00 0.00 C ATOM 0 H VAL A 48 34.525 -0.466 -11.696 1.00 0.00 H new ATOM 0 HA VAL A 48 35.583 2.040 -10.626 1.00 0.00 H new ATOM 0 HB VAL A 48 33.857 2.985 -12.113 1.00 0.00 H new ATOM 0 HG11 VAL A 48 35.008 2.370 -14.210 1.00 0.00 H new ATOM 0 HG12 VAL A 48 36.155 2.671 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 48 35.782 1.002 -13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 32.742 1.501 -13.741 1.00 0.00 H new ATOM 0 HG22 VAL A 48 33.388 0.083 -12.880 1.00 0.00 H new ATOM 0 HG23 VAL A 48 32.229 1.165 -12.071 1.00 0.00 H new ATOM 697 N GLN A 49 32.821 0.675 -9.588 1.00 0.00 N ATOM 698 CA GLN A 49 31.791 0.744 -8.566 1.00 0.00 C ATOM 699 C GLN A 49 32.423 0.944 -7.188 1.00 0.00 C ATOM 700 O GLN A 49 32.037 1.849 -6.449 1.00 0.00 O ATOM 701 CB GLN A 49 30.911 -0.508 -8.589 1.00 0.00 C ATOM 702 CG GLN A 49 29.648 -0.275 -9.422 1.00 0.00 C ATOM 703 CD GLN A 49 28.389 -0.461 -8.572 1.00 0.00 C ATOM 704 OE1 GLN A 49 27.760 0.488 -8.133 1.00 0.00 O ATOM 705 NE2 GLN A 49 28.058 -1.732 -8.367 1.00 0.00 N ATOM 0 H GLN A 49 32.825 -0.188 -10.131 1.00 0.00 H new ATOM 0 HA GLN A 49 31.152 1.601 -8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.474 -1.345 -9.002 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.634 -0.781 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.664 0.732 -9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.629 -0.968 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.629 -2.478 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.233 -1.961 -7.813 1.00 0.00 H new ATOM 714 N THR A 50 33.384 0.084 -6.883 1.00 0.00 N ATOM 715 CA THR A 50 34.074 0.156 -5.606 1.00 0.00 C ATOM 716 C THR A 50 34.701 1.538 -5.414 1.00 0.00 C ATOM 717 O THR A 50 34.610 2.121 -4.335 1.00 0.00 O ATOM 718 CB THR A 50 35.092 -0.985 -5.554 1.00 0.00 C ATOM 719 OG1 THR A 50 34.321 -2.122 -5.172 1.00 0.00 O ATOM 720 CG2 THR A 50 36.100 -0.820 -4.415 1.00 0.00 C ATOM 0 H THR A 50 33.701 -0.666 -7.498 1.00 0.00 H new ATOM 0 HA THR A 50 33.380 0.031 -4.775 1.00 0.00 H new ATOM 0 HB THR A 50 35.623 -1.040 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 34.903 -2.908 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 50 36.799 -1.656 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 50 36.648 0.113 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 50 35.572 -0.799 -3.462 1.00 0.00 H new ATOM 728 N ALA A 51 35.323 2.023 -6.479 1.00 0.00 N ATOM 729 CA ALA A 51 35.965 3.326 -6.442 1.00 0.00 C ATOM 730 C ALA A 51 34.914 4.399 -6.149 1.00 0.00 C ATOM 731 O ALA A 51 35.097 5.225 -5.256 1.00 0.00 O ATOM 732 CB ALA A 51 36.697 3.573 -7.762 1.00 0.00 C ATOM 0 H ALA A 51 35.396 1.537 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 51 36.708 3.365 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 51 37.178 4.551 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 51 37.452 2.801 -7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 51 35.983 3.544 -8.585 1.00 0.00 H new ATOM 738 N CYS A 52 33.836 4.352 -6.918 1.00 0.00 N ATOM 739 CA CYS A 52 32.756 5.310 -6.753 1.00 0.00 C ATOM 740 C CYS A 52 32.440 5.424 -5.260 1.00 0.00 C ATOM 741 O CYS A 52 32.411 6.525 -4.711 1.00 0.00 O ATOM 742 CB CYS A 52 31.522 4.918 -7.568 1.00 0.00 C ATOM 743 SG CYS A 52 31.477 5.869 -9.131 1.00 0.00 S ATOM 0 H CYS A 52 33.687 3.665 -7.657 1.00 0.00 H new ATOM 0 HA CYS A 52 33.068 6.282 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 52 31.542 3.850 -7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 52 30.618 5.110 -6.990 1.00 0.00 H new ATOM 0 HG CYS A 52 30.427 5.527 -9.817 1.00 0.00 H new ATOM 749 N ASP A 53 32.213 4.273 -4.646 1.00 0.00 N ATOM 750 CA ASP A 53 31.900 4.230 -3.227 1.00 0.00 C ATOM 751 C ASP A 53 32.931 5.058 -2.457 1.00 0.00 C ATOM 752 O ASP A 53 32.573 5.841 -1.579 1.00 0.00 O ATOM 753 CB ASP A 53 31.952 2.797 -2.695 1.00 0.00 C ATOM 754 CG ASP A 53 31.330 2.598 -1.311 1.00 0.00 C ATOM 755 OD1 ASP A 53 30.427 3.394 -0.975 1.00 0.00 O ATOM 756 OD2 ASP A 53 31.773 1.655 -0.620 1.00 0.00 O ATOM 0 H ASP A 53 32.239 3.362 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 53 30.895 4.629 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 31.442 2.144 -3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 53 32.993 2.477 -2.658 1.00 0.00 H new ATOM 761 N TRP A 54 34.191 4.856 -2.814 1.00 0.00 N ATOM 762 CA TRP A 54 35.276 5.575 -2.168 1.00 0.00 C ATOM 763 C TRP A 54 35.078 7.068 -2.433 1.00 0.00 C ATOM 764 O TRP A 54 35.059 7.871 -1.501 1.00 0.00 O ATOM 765 CB TRP A 54 36.635 5.058 -2.643 1.00 0.00 C ATOM 766 CG TRP A 54 37.829 5.729 -1.962 1.00 0.00 C ATOM 767 CD1 TRP A 54 38.500 5.315 -0.878 1.00 0.00 C ATOM 768 CD2 TRP A 54 38.471 6.958 -2.365 1.00 0.00 C ATOM 769 NE1 TRP A 54 39.523 6.184 -0.554 1.00 0.00 N ATOM 770 CE2 TRP A 54 39.504 7.214 -1.487 1.00 0.00 C ATOM 771 CE3 TRP A 54 38.186 7.823 -3.435 1.00 0.00 C ATOM 772 CZ2 TRP A 54 40.337 8.335 -1.590 1.00 0.00 C ATOM 773 CZ3 TRP A 54 39.028 8.939 -3.525 1.00 0.00 C ATOM 774 CH2 TRP A 54 40.072 9.211 -2.649 1.00 0.00 C ATOM 0 H TRP A 54 34.485 4.205 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 54 35.262 5.408 -1.091 1.00 0.00 H new ATOM 0 HB2 TRP A 54 36.686 3.984 -2.466 1.00 0.00 H new ATOM 0 HB3 TRP A 54 36.713 5.208 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.270 4.415 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP A 54 40.173 6.088 0.226 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.382 7.642 -4.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 41.140 8.514 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 38.854 9.636 -4.331 1.00 0.00 H new ATOM 0 HH2 TRP A 54 40.677 10.095 -2.785 1.00 0.00 H new ATOM 785 N LEU A 55 34.937 7.397 -3.709 1.00 0.00 N ATOM 786 CA LEU A 55 34.742 8.780 -4.109 1.00 0.00 C ATOM 787 C LEU A 55 33.751 9.448 -3.153 1.00 0.00 C ATOM 788 O LEU A 55 34.131 10.311 -2.364 1.00 0.00 O ATOM 789 CB LEU A 55 34.326 8.859 -5.579 1.00 0.00 C ATOM 790 CG LEU A 55 35.466 8.890 -6.599 1.00 0.00 C ATOM 791 CD1 LEU A 55 35.045 8.230 -7.913 1.00 0.00 C ATOM 792 CD2 LEU A 55 35.974 10.317 -6.811 1.00 0.00 C ATOM 0 H LEU A 55 34.954 6.729 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 55 35.678 9.333 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 33.689 8.003 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 55 33.718 9.753 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 55 36.297 8.309 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 55 35.874 8.266 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 55 34.771 7.191 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 55 34.190 8.762 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 55 36.784 10.310 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 55 35.160 10.942 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 55 36.341 10.717 -5.866 1.00 0.00 H new ATOM 804 N PHE A 56 32.501 9.022 -3.255 1.00 0.00 N ATOM 805 CA PHE A 56 31.453 9.568 -2.409 1.00 0.00 C ATOM 806 C PHE A 56 31.834 9.467 -0.931 1.00 0.00 C ATOM 807 O PHE A 56 31.792 10.460 -0.206 1.00 0.00 O ATOM 808 CB PHE A 56 30.196 8.732 -2.658 1.00 0.00 C ATOM 809 CG PHE A 56 29.846 8.561 -4.138 1.00 0.00 C ATOM 810 CD1 PHE A 56 29.811 9.645 -4.958 1.00 0.00 C ATOM 811 CD2 PHE A 56 29.569 7.324 -4.632 1.00 0.00 C ATOM 812 CE1 PHE A 56 29.486 9.485 -6.331 1.00 0.00 C ATOM 813 CE2 PHE A 56 29.244 7.165 -6.005 1.00 0.00 C ATOM 814 CZ PHE A 56 29.209 8.249 -6.826 1.00 0.00 C ATOM 0 H PHE A 56 32.190 8.305 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 56 31.295 10.620 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 56 30.333 7.747 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 56 29.354 9.200 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 56 30.030 10.627 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 56 29.596 6.463 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 56 29.459 10.346 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 56 29.025 6.183 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 56 28.961 8.128 -7.870 1.00 0.00 H new