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 Set 1.1: A 49 GLN : amide:sc= 0.389 K(o=0.8,f=-0.013) USER MOD Set 1.2: A 50 THR OG1 : rot 48:sc= 0.413 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 173:sc= 0 (180deg=-0.0725) USER MOD Single : A 37 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -156:sc= 2.04 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 8.813 -38.507 -8.113 1.00 0.00 N ATOM 298 CA ALA A 22 10.127 -38.049 -8.531 1.00 0.00 C ATOM 299 C ALA A 22 9.991 -36.697 -9.234 1.00 0.00 C ATOM 300 O ALA A 22 10.857 -35.833 -9.100 1.00 0.00 O ATOM 301 CB ALA A 22 10.776 -39.108 -9.424 1.00 0.00 C ATOM 0 HA ALA A 22 10.777 -37.908 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.762 -38.765 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.876 -40.041 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.153 -39.274 -10.303 1.00 0.00 H new ATOM 307 N LEU A 23 8.897 -36.555 -9.969 1.00 0.00 N ATOM 308 CA LEU A 23 8.636 -35.323 -10.693 1.00 0.00 C ATOM 309 C LEU A 23 8.123 -34.262 -9.718 1.00 0.00 C ATOM 310 O LEU A 23 8.583 -33.121 -9.737 1.00 0.00 O ATOM 311 CB LEU A 23 7.695 -35.582 -11.871 1.00 0.00 C ATOM 312 CG LEU A 23 6.911 -34.372 -12.382 1.00 0.00 C ATOM 313 CD1 LEU A 23 7.850 -33.211 -12.715 1.00 0.00 C ATOM 314 CD2 LEU A 23 6.027 -34.754 -13.571 1.00 0.00 C ATOM 0 H LEU A 23 8.181 -37.273 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 23 9.557 -34.936 -11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.281 -35.985 -12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.983 -36.354 -11.579 1.00 0.00 H new ATOM 0 HG LEU A 23 6.249 -34.032 -11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.267 -32.364 -13.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.399 -32.919 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.554 -33.522 -13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.480 -33.876 -13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.650 -35.134 -14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.320 -35.525 -13.266 1.00 0.00 H new ATOM 326 N ASP A 24 7.177 -34.675 -8.887 1.00 0.00 N ATOM 327 CA ASP A 24 6.596 -33.775 -7.906 1.00 0.00 C ATOM 328 C ASP A 24 7.699 -33.251 -6.985 1.00 0.00 C ATOM 329 O ASP A 24 7.613 -32.132 -6.481 1.00 0.00 O ATOM 330 CB ASP A 24 5.560 -34.496 -7.042 1.00 0.00 C ATOM 331 CG ASP A 24 4.726 -33.586 -6.138 1.00 0.00 C ATOM 332 OD1 ASP A 24 4.235 -32.562 -6.660 1.00 0.00 O ATOM 333 OD2 ASP A 24 4.598 -33.935 -4.944 1.00 0.00 O ATOM 0 H ASP A 24 6.798 -35.622 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 24 6.112 -32.959 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.886 -35.050 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.074 -35.228 -6.420 1.00 0.00 H new ATOM 338 N VAL A 25 8.710 -34.085 -6.791 1.00 0.00 N ATOM 339 CA VAL A 25 9.829 -33.721 -5.939 1.00 0.00 C ATOM 340 C VAL A 25 10.547 -32.510 -6.538 1.00 0.00 C ATOM 341 O VAL A 25 10.772 -31.515 -5.851 1.00 0.00 O ATOM 342 CB VAL A 25 10.751 -34.926 -5.742 1.00 0.00 C ATOM 343 CG1 VAL A 25 11.954 -34.559 -4.870 1.00 0.00 C ATOM 344 CG2 VAL A 25 9.986 -36.111 -5.151 1.00 0.00 C ATOM 0 H VAL A 25 8.777 -35.013 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 25 9.477 -33.433 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 25 11.126 -35.225 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.593 -35.433 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.520 -33.760 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.606 -34.222 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.665 -36.954 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.569 -35.829 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.179 -36.396 -5.826 1.00 0.00 H new ATOM 354 N LEU A 26 10.887 -32.634 -7.813 1.00 0.00 N ATOM 355 CA LEU A 26 11.575 -31.562 -8.512 1.00 0.00 C ATOM 356 C LEU A 26 10.697 -30.309 -8.505 1.00 0.00 C ATOM 357 O LEU A 26 11.183 -29.208 -8.250 1.00 0.00 O ATOM 358 CB LEU A 26 11.990 -32.016 -9.913 1.00 0.00 C ATOM 359 CG LEU A 26 13.264 -32.858 -9.996 1.00 0.00 C ATOM 360 CD1 LEU A 26 13.215 -33.811 -11.191 1.00 0.00 C ATOM 361 CD2 LEU A 26 14.509 -31.968 -10.023 1.00 0.00 C ATOM 0 H LEU A 26 10.699 -33.461 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 26 12.502 -31.305 -7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.170 -32.590 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.122 -31.131 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 26 13.326 -33.472 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.133 -34.398 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.361 -34.480 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.116 -33.236 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.401 -32.592 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.468 -31.311 -10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.546 -31.367 -9.115 1.00 0.00 H new ATOM 373 N LEU A 27 9.420 -30.519 -8.789 1.00 0.00 N ATOM 374 CA LEU A 27 8.470 -29.420 -8.819 1.00 0.00 C ATOM 375 C LEU A 27 8.456 -28.726 -7.456 1.00 0.00 C ATOM 376 O LEU A 27 8.173 -27.532 -7.366 1.00 0.00 O ATOM 377 CB LEU A 27 7.095 -29.913 -9.273 1.00 0.00 C ATOM 378 CG LEU A 27 7.021 -30.484 -10.691 1.00 0.00 C ATOM 379 CD1 LEU A 27 5.836 -31.442 -10.835 1.00 0.00 C ATOM 380 CD2 LEU A 27 6.981 -29.363 -11.732 1.00 0.00 C ATOM 0 H LEU A 27 9.021 -31.434 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 27 8.774 -28.674 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.758 -30.680 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.391 -29.084 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 27 7.927 -31.062 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.806 -31.834 -11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.948 -32.267 -10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.909 -30.908 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.929 -29.796 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.104 -28.738 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.882 -28.755 -11.647 1.00 0.00 H new ATOM 392 N SER A 28 8.764 -29.504 -6.429 1.00 0.00 N ATOM 393 CA SER A 28 8.791 -28.979 -5.074 1.00 0.00 C ATOM 394 C SER A 28 10.156 -28.353 -4.782 1.00 0.00 C ATOM 395 O SER A 28 10.384 -27.836 -3.689 1.00 0.00 O ATOM 396 CB SER A 28 8.479 -30.075 -4.053 1.00 0.00 C ATOM 397 OG SER A 28 7.292 -29.796 -3.316 1.00 0.00 O ATOM 0 H SER A 28 8.997 -30.494 -6.508 1.00 0.00 H new ATOM 0 HA SER A 28 8.022 -28.211 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.370 -31.030 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.318 -30.178 -3.364 1.00 0.00 H new ATOM 0 HG SER A 28 7.126 -30.520 -2.676 1.00 0.00 H new ATOM 403 N MET A 29 11.028 -28.421 -5.777 1.00 0.00 N ATOM 404 CA MET A 29 12.364 -27.867 -5.640 1.00 0.00 C ATOM 405 C MET A 29 12.503 -26.567 -6.434 1.00 0.00 C ATOM 406 O MET A 29 13.584 -25.983 -6.492 1.00 0.00 O ATOM 407 CB MET A 29 13.392 -28.884 -6.141 1.00 0.00 C ATOM 408 CG MET A 29 13.667 -29.953 -5.082 1.00 0.00 C ATOM 409 SD MET A 29 15.352 -30.528 -5.218 1.00 0.00 S ATOM 410 CE MET A 29 15.064 -32.214 -5.726 1.00 0.00 C ATOM 0 H MET A 29 10.835 -28.851 -6.681 1.00 0.00 H new ATOM 0 HA MET A 29 12.540 -27.648 -4.587 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.027 -29.356 -7.053 1.00 0.00 H new ATOM 0 HB3 MET A 29 14.320 -28.373 -6.396 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.493 -29.544 -4.087 1.00 0.00 H new ATOM 0 HG3 MET A 29 12.978 -30.788 -5.209 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.014 -32.686 -5.977 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.590 -32.763 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.412 -32.225 -6.599 1.00 0.00 H new ATOM 420 N GLY A 30 11.393 -26.152 -7.027 1.00 0.00 N ATOM 421 CA GLY A 30 11.378 -24.931 -7.815 1.00 0.00 C ATOM 422 C GLY A 30 11.754 -25.214 -9.271 1.00 0.00 C ATOM 423 O GLY A 30 12.394 -24.389 -9.922 1.00 0.00 O ATOM 0 H GLY A 30 10.498 -26.639 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.387 -24.479 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.076 -24.210 -7.389 1.00 0.00 H new ATOM 427 N PHE A 31 11.340 -26.382 -9.740 1.00 0.00 N ATOM 428 CA PHE A 31 11.625 -26.784 -11.106 1.00 0.00 C ATOM 429 C PHE A 31 10.333 -27.026 -11.888 1.00 0.00 C ATOM 430 O PHE A 31 9.344 -27.498 -11.329 1.00 0.00 O ATOM 431 CB PHE A 31 12.415 -28.092 -11.032 1.00 0.00 C ATOM 432 CG PHE A 31 13.890 -27.909 -10.668 1.00 0.00 C ATOM 433 CD1 PHE A 31 14.811 -27.699 -11.646 1.00 0.00 C ATOM 434 CD2 PHE A 31 14.279 -27.956 -9.365 1.00 0.00 C ATOM 435 CE1 PHE A 31 16.180 -27.529 -11.307 1.00 0.00 C ATOM 436 CE2 PHE A 31 15.647 -27.786 -9.027 1.00 0.00 C ATOM 437 CZ PHE A 31 16.569 -27.577 -10.005 1.00 0.00 C ATOM 0 H PHE A 31 10.809 -27.063 -9.197 1.00 0.00 H new ATOM 0 HA PHE A 31 12.184 -25.999 -11.615 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.948 -28.745 -10.295 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.349 -28.599 -11.995 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.502 -27.661 -12.680 1.00 0.00 H new ATOM 0 HD2 PHE A 31 13.547 -28.123 -8.588 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.912 -27.362 -12.083 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.956 -27.823 -7.993 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.610 -27.449 -9.747 1.00 0.00 H new ATOM 447 N PRO A 32 10.383 -26.683 -13.203 1.00 0.00 N ATOM 448 CA PRO A 32 9.229 -26.858 -14.067 1.00 0.00 C ATOM 449 C PRO A 32 9.029 -28.332 -14.424 1.00 0.00 C ATOM 450 O PRO A 32 9.978 -29.114 -14.399 1.00 0.00 O ATOM 451 CB PRO A 32 9.509 -25.986 -15.280 1.00 0.00 C ATOM 452 CG PRO A 32 11.006 -25.722 -15.266 1.00 0.00 C ATOM 453 CD PRO A 32 11.537 -26.121 -13.899 1.00 0.00 C ATOM 0 HA PRO A 32 8.296 -26.562 -13.587 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.209 -26.488 -16.200 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.947 -25.053 -15.229 1.00 0.00 H new ATOM 0 HG2 PRO A 32 11.502 -26.294 -16.050 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.210 -24.669 -15.462 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.342 -26.851 -13.984 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.942 -25.261 -13.365 1.00 0.00 H new ATOM 461 N ARG A 33 7.789 -28.667 -14.748 1.00 0.00 N ATOM 462 CA ARG A 33 7.453 -30.034 -15.110 1.00 0.00 C ATOM 463 C ARG A 33 8.314 -30.499 -16.286 1.00 0.00 C ATOM 464 O ARG A 33 8.821 -31.619 -16.284 1.00 0.00 O ATOM 465 CB ARG A 33 5.976 -30.156 -15.488 1.00 0.00 C ATOM 466 CG ARG A 33 5.665 -31.547 -16.044 1.00 0.00 C ATOM 467 CD ARG A 33 4.237 -31.970 -15.697 1.00 0.00 C ATOM 468 NE ARG A 33 3.304 -31.523 -16.756 1.00 0.00 N ATOM 469 CZ ARG A 33 2.001 -31.831 -16.788 1.00 0.00 C ATOM 470 NH1 ARG A 33 1.467 -32.589 -15.821 1.00 0.00 N ATOM 471 NH2 ARG A 33 1.231 -31.380 -17.788 1.00 0.00 N ATOM 0 H ARG A 33 7.004 -28.016 -14.767 1.00 0.00 H new ATOM 0 HA ARG A 33 7.647 -30.664 -14.242 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.356 -29.963 -14.613 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.723 -29.399 -16.230 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.795 -31.547 -17.126 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.371 -32.271 -15.638 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.186 -33.054 -15.590 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.945 -31.541 -14.739 1.00 0.00 H new ATOM 0 HE ARG A 33 3.677 -30.944 -17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.053 -32.932 -15.060 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.475 -32.823 -15.846 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.637 -30.803 -18.524 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.239 -31.614 -17.813 1.00 0.00 H new ATOM 485 N ALA A 34 8.452 -29.614 -17.263 1.00 0.00 N ATOM 486 CA ALA A 34 9.243 -29.920 -18.443 1.00 0.00 C ATOM 487 C ALA A 34 10.651 -30.339 -18.014 1.00 0.00 C ATOM 488 O ALA A 34 11.033 -31.497 -18.174 1.00 0.00 O ATOM 489 CB ALA A 34 9.255 -28.709 -19.378 1.00 0.00 C ATOM 0 H ALA A 34 8.030 -28.686 -17.261 1.00 0.00 H new ATOM 0 HA ALA A 34 8.805 -30.753 -18.993 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.848 -28.939 -20.263 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.234 -28.470 -19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.691 -27.854 -18.861 1.00 0.00 H new ATOM 495 N ARG A 35 11.383 -29.374 -17.476 1.00 0.00 N ATOM 496 CA ARG A 35 12.739 -29.628 -17.023 1.00 0.00 C ATOM 497 C ARG A 35 12.828 -31.003 -16.357 1.00 0.00 C ATOM 498 O ARG A 35 13.579 -31.867 -16.807 1.00 0.00 O ATOM 499 CB ARG A 35 13.198 -28.558 -16.030 1.00 0.00 C ATOM 500 CG ARG A 35 13.964 -27.442 -16.743 1.00 0.00 C ATOM 501 CD ARG A 35 15.300 -27.164 -16.050 1.00 0.00 C ATOM 502 NE ARG A 35 15.571 -25.710 -16.037 1.00 0.00 N ATOM 503 CZ ARG A 35 16.778 -25.172 -15.813 1.00 0.00 C ATOM 504 NH1 ARG A 35 17.832 -25.966 -15.582 1.00 0.00 N ATOM 505 NH2 ARG A 35 16.931 -23.841 -15.820 1.00 0.00 N ATOM 0 H ARG A 35 11.062 -28.415 -17.344 1.00 0.00 H new ATOM 0 HA ARG A 35 13.390 -29.601 -17.897 1.00 0.00 H new ATOM 0 HB2 ARG A 35 12.333 -28.139 -15.515 1.00 0.00 H new ATOM 0 HB3 ARG A 35 13.833 -29.011 -15.269 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.140 -27.723 -17.781 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.361 -26.534 -16.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.276 -27.547 -15.030 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.104 -27.687 -16.568 1.00 0.00 H new ATOM 0 HE ARG A 35 14.790 -25.077 -16.209 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.716 -26.979 -15.577 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.751 -25.557 -15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.129 -23.236 -15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.850 -23.432 -15.649 1.00 0.00 H new ATOM 519 N ALA A 36 12.050 -31.162 -15.296 1.00 0.00 N ATOM 520 CA ALA A 36 12.031 -32.417 -14.564 1.00 0.00 C ATOM 521 C ALA A 36 11.662 -33.554 -15.519 1.00 0.00 C ATOM 522 O ALA A 36 12.246 -34.635 -15.457 1.00 0.00 O ATOM 523 CB ALA A 36 11.061 -32.306 -13.386 1.00 0.00 C ATOM 0 H ALA A 36 11.429 -30.443 -14.926 1.00 0.00 H new ATOM 0 HA ALA A 36 13.017 -32.638 -14.155 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.047 -33.247 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.384 -31.504 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.060 -32.088 -13.758 1.00 0.00 H new ATOM 529 N GLN A 37 10.695 -33.271 -16.379 1.00 0.00 N ATOM 530 CA GLN A 37 10.241 -34.257 -17.346 1.00 0.00 C ATOM 531 C GLN A 37 11.391 -34.663 -18.269 1.00 0.00 C ATOM 532 O GLN A 37 11.823 -35.815 -18.259 1.00 0.00 O ATOM 533 CB GLN A 37 9.052 -33.728 -18.151 1.00 0.00 C ATOM 534 CG GLN A 37 7.734 -33.993 -17.420 1.00 0.00 C ATOM 535 CD GLN A 37 6.942 -35.108 -18.106 1.00 0.00 C ATOM 536 OE1 GLN A 37 6.822 -35.164 -19.319 1.00 0.00 O ATOM 537 NE2 GLN A 37 6.409 -35.990 -17.265 1.00 0.00 N ATOM 0 H GLN A 37 10.213 -32.373 -16.427 1.00 0.00 H new ATOM 0 HA GLN A 37 9.906 -35.142 -16.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.170 -32.658 -18.320 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.031 -34.205 -19.131 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.937 -34.270 -16.385 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.138 -33.081 -17.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.548 -35.885 -16.260 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.861 -36.772 -17.625 1.00 0.00 H new ATOM 546 N LYS A 38 11.855 -33.695 -19.046 1.00 0.00 N ATOM 547 CA LYS A 38 12.947 -33.938 -19.973 1.00 0.00 C ATOM 548 C LYS A 38 14.047 -34.729 -19.263 1.00 0.00 C ATOM 549 O LYS A 38 14.535 -35.729 -19.788 1.00 0.00 O ATOM 550 CB LYS A 38 13.433 -32.622 -20.585 1.00 0.00 C ATOM 551 CG LYS A 38 13.853 -32.818 -22.043 1.00 0.00 C ATOM 552 CD LYS A 38 13.871 -31.484 -22.792 1.00 0.00 C ATOM 553 CE LYS A 38 14.536 -31.634 -24.162 1.00 0.00 C ATOM 554 NZ LYS A 38 13.515 -31.674 -25.232 1.00 0.00 N ATOM 0 H LYS A 38 11.494 -32.741 -19.052 1.00 0.00 H new ATOM 0 HA LYS A 38 12.607 -34.546 -20.811 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.641 -31.876 -20.528 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.275 -32.238 -20.009 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.842 -33.275 -22.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.165 -33.506 -22.534 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.852 -31.119 -22.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.407 -30.739 -22.203 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.219 -30.802 -24.334 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.132 -32.546 -24.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.983 -31.776 -26.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.879 -32.482 -25.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.964 -30.792 -25.219 1.00 0.00 H new ATOM 568 N ALA A 39 14.407 -34.251 -18.081 1.00 0.00 N ATOM 569 CA ALA A 39 15.441 -34.901 -17.294 1.00 0.00 C ATOM 570 C ALA A 39 15.003 -36.330 -16.966 1.00 0.00 C ATOM 571 O ALA A 39 15.681 -37.290 -17.331 1.00 0.00 O ATOM 572 CB ALA A 39 15.721 -34.075 -16.037 1.00 0.00 C ATOM 0 H ALA A 39 14.001 -33.421 -17.649 1.00 0.00 H new ATOM 0 HA ALA A 39 16.371 -34.962 -17.858 1.00 0.00 H new ATOM 0 HB1 ALA A 39 16.497 -34.563 -15.447 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.056 -33.078 -16.324 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.810 -33.995 -15.444 1.00 0.00 H new ATOM 578 N LEU A 40 13.873 -36.427 -16.282 1.00 0.00 N ATOM 579 CA LEU A 40 13.337 -37.722 -15.901 1.00 0.00 C ATOM 580 C LEU A 40 13.504 -38.701 -17.065 1.00 0.00 C ATOM 581 O LEU A 40 14.083 -39.774 -16.900 1.00 0.00 O ATOM 582 CB LEU A 40 11.892 -37.584 -15.417 1.00 0.00 C ATOM 583 CG LEU A 40 11.710 -37.120 -13.971 1.00 0.00 C ATOM 584 CD1 LEU A 40 10.414 -36.323 -13.809 1.00 0.00 C ATOM 585 CD2 LEU A 40 11.780 -38.303 -13.003 1.00 0.00 C ATOM 0 H LEU A 40 13.313 -35.629 -15.982 1.00 0.00 H new ATOM 0 HA LEU A 40 13.893 -38.130 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.377 -36.881 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.397 -38.548 -15.533 1.00 0.00 H new ATOM 0 HG LEU A 40 12.533 -36.450 -13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.309 -36.005 -12.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.443 -35.446 -14.456 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.565 -36.949 -14.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.648 -37.946 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.992 -39.017 -13.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.751 -38.791 -13.094 1.00 0.00 H new ATOM 597 N ALA A 41 12.988 -38.296 -18.216 1.00 0.00 N ATOM 598 CA ALA A 41 13.073 -39.124 -19.407 1.00 0.00 C ATOM 599 C ALA A 41 14.535 -39.493 -19.662 1.00 0.00 C ATOM 600 O ALA A 41 14.877 -40.673 -19.740 1.00 0.00 O ATOM 601 CB ALA A 41 12.443 -38.384 -20.589 1.00 0.00 C ATOM 0 H ALA A 41 12.509 -37.405 -18.349 1.00 0.00 H new ATOM 0 HA ALA A 41 12.518 -40.052 -19.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.507 -39.005 -21.483 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.397 -38.171 -20.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.976 -37.448 -20.758 1.00 0.00 H new ATOM 607 N SER A 42 15.360 -38.464 -19.785 1.00 0.00 N ATOM 608 CA SER A 42 16.778 -38.665 -20.030 1.00 0.00 C ATOM 609 C SER A 42 17.306 -39.795 -19.145 1.00 0.00 C ATOM 610 O SER A 42 18.168 -40.567 -19.564 1.00 0.00 O ATOM 611 CB SER A 42 17.569 -37.380 -19.779 1.00 0.00 C ATOM 612 OG SER A 42 17.220 -36.350 -20.700 1.00 0.00 O ATOM 0 H SER A 42 15.073 -37.487 -19.719 1.00 0.00 H new ATOM 0 HA SER A 42 16.908 -38.940 -21.077 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.386 -37.034 -18.762 1.00 0.00 H new ATOM 0 HB3 SER A 42 18.636 -37.590 -19.857 1.00 0.00 H new ATOM 0 HG SER A 42 17.961 -35.713 -20.775 1.00 0.00 H new ATOM 618 N THR A 43 16.768 -39.858 -17.935 1.00 0.00 N ATOM 619 CA THR A 43 17.175 -40.880 -16.987 1.00 0.00 C ATOM 620 C THR A 43 15.986 -41.771 -16.620 1.00 0.00 C ATOM 621 O THR A 43 15.894 -42.258 -15.495 1.00 0.00 O ATOM 622 CB THR A 43 17.806 -40.182 -15.781 1.00 0.00 C ATOM 623 OG1 THR A 43 16.698 -39.605 -15.095 1.00 0.00 O ATOM 624 CG2 THR A 43 18.663 -38.981 -16.182 1.00 0.00 C ATOM 0 H THR A 43 16.053 -39.217 -17.590 1.00 0.00 H new ATOM 0 HA THR A 43 17.920 -41.548 -17.421 1.00 0.00 H new ATOM 0 HB THR A 43 18.417 -40.895 -15.228 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.017 -39.133 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 43 19.087 -38.522 -15.289 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.469 -39.312 -16.838 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.045 -38.252 -16.706 1.00 0.00 H new ATOM 632 N GLY A 44 15.105 -41.957 -17.593 1.00 0.00 N ATOM 633 CA GLY A 44 13.926 -42.780 -17.386 1.00 0.00 C ATOM 634 C GLY A 44 12.966 -42.124 -16.391 1.00 0.00 C ATOM 635 O GLY A 44 12.064 -41.388 -16.787 1.00 0.00 O ATOM 0 H GLY A 44 15.185 -41.552 -18.526 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.417 -42.938 -18.337 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.224 -43.761 -17.016 1.00 0.00 H new ATOM 639 N GLY A 45 13.194 -42.416 -15.119 1.00 0.00 N ATOM 640 CA GLY A 45 12.361 -41.864 -14.064 1.00 0.00 C ATOM 641 C GLY A 45 12.394 -42.751 -12.818 1.00 0.00 C ATOM 642 O GLY A 45 11.355 -43.222 -12.359 1.00 0.00 O ATOM 0 H GLY A 45 13.943 -43.028 -14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.706 -40.862 -13.810 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.335 -41.768 -14.419 1.00 0.00 H new ATOM 646 N ARG A 46 13.600 -42.952 -12.307 1.00 0.00 N ATOM 647 CA ARG A 46 13.783 -43.775 -11.123 1.00 0.00 C ATOM 648 C ARG A 46 14.136 -42.900 -9.918 1.00 0.00 C ATOM 649 O ARG A 46 13.449 -42.935 -8.898 1.00 0.00 O ATOM 650 CB ARG A 46 14.890 -44.809 -11.336 1.00 0.00 C ATOM 651 CG ARG A 46 14.491 -46.167 -10.756 1.00 0.00 C ATOM 652 CD ARG A 46 14.692 -46.196 -9.239 1.00 0.00 C ATOM 653 NE ARG A 46 15.519 -47.364 -8.861 1.00 0.00 N ATOM 654 CZ ARG A 46 16.084 -47.527 -7.657 1.00 0.00 C ATOM 655 NH1 ARG A 46 15.915 -46.597 -6.707 1.00 0.00 N ATOM 656 NH2 ARG A 46 16.817 -48.619 -7.403 1.00 0.00 N ATOM 0 H ARG A 46 14.460 -42.559 -12.691 1.00 0.00 H new ATOM 0 HA ARG A 46 12.845 -44.298 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 46 15.097 -44.911 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 46 15.810 -44.464 -10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.447 -46.375 -10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.086 -46.954 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.175 -45.276 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.726 -46.246 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 46 15.668 -48.091 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.357 -45.766 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.345 -46.720 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.945 -49.327 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.247 -48.743 -6.486 1.00 0.00 H new ATOM 670 N SER A 47 15.207 -42.136 -10.076 1.00 0.00 N ATOM 671 CA SER A 47 15.660 -41.253 -9.014 1.00 0.00 C ATOM 672 C SER A 47 15.699 -39.808 -9.516 1.00 0.00 C ATOM 673 O SER A 47 15.973 -39.562 -10.689 1.00 0.00 O ATOM 674 CB SER A 47 17.038 -41.674 -8.499 1.00 0.00 C ATOM 675 OG SER A 47 17.079 -43.054 -8.149 1.00 0.00 O ATOM 0 H SER A 47 15.774 -42.110 -10.923 1.00 0.00 H new ATOM 0 HA SER A 47 14.955 -41.324 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.788 -41.472 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.299 -41.072 -7.629 1.00 0.00 H new ATOM 0 HG SER A 47 17.976 -43.283 -7.827 1.00 0.00 H new ATOM 681 N VAL A 48 15.421 -38.891 -8.601 1.00 0.00 N ATOM 682 CA VAL A 48 15.420 -37.477 -8.936 1.00 0.00 C ATOM 683 C VAL A 48 16.846 -36.932 -8.830 1.00 0.00 C ATOM 684 O VAL A 48 17.223 -36.022 -9.567 1.00 0.00 O ATOM 685 CB VAL A 48 14.426 -36.729 -8.045 1.00 0.00 C ATOM 686 CG1 VAL A 48 12.993 -37.193 -8.313 1.00 0.00 C ATOM 687 CG2 VAL A 48 14.787 -36.887 -6.567 1.00 0.00 C ATOM 0 H VAL A 48 15.195 -39.099 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 48 15.090 -37.328 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 48 14.486 -35.669 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.307 -36.646 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 48 12.738 -37.004 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.912 -38.260 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.065 -36.346 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.769 -37.943 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.785 -36.485 -6.391 1.00 0.00 H new ATOM 697 N GLN A 49 17.600 -37.511 -7.907 1.00 0.00 N ATOM 698 CA GLN A 49 18.975 -37.094 -7.695 1.00 0.00 C ATOM 699 C GLN A 49 19.764 -37.182 -9.003 1.00 0.00 C ATOM 700 O GLN A 49 20.587 -36.315 -9.295 1.00 0.00 O ATOM 701 CB GLN A 49 19.638 -37.930 -6.598 1.00 0.00 C ATOM 702 CG GLN A 49 19.281 -39.410 -6.745 1.00 0.00 C ATOM 703 CD GLN A 49 20.541 -40.277 -6.796 1.00 0.00 C ATOM 704 OE1 GLN A 49 21.255 -40.321 -7.785 1.00 0.00 O ATOM 705 NE2 GLN A 49 20.773 -40.960 -5.679 1.00 0.00 N ATOM 0 H GLN A 49 17.284 -38.266 -7.298 1.00 0.00 H new ATOM 0 HA GLN A 49 18.972 -36.055 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.720 -37.807 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 49 19.319 -37.571 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.655 -39.721 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 49 18.697 -39.558 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.134 -40.877 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.590 -41.567 -5.613 1.00 0.00 H new ATOM 714 N THR A 50 19.485 -38.236 -9.756 1.00 0.00 N ATOM 715 CA THR A 50 20.158 -38.448 -11.026 1.00 0.00 C ATOM 716 C THR A 50 19.710 -37.401 -12.048 1.00 0.00 C ATOM 717 O THR A 50 20.531 -36.854 -12.782 1.00 0.00 O ATOM 718 CB THR A 50 19.887 -39.886 -11.470 1.00 0.00 C ATOM 719 OG1 THR A 50 20.813 -40.663 -10.717 1.00 0.00 O ATOM 720 CG2 THR A 50 20.289 -40.135 -12.926 1.00 0.00 C ATOM 0 H THR A 50 18.802 -38.953 -9.511 1.00 0.00 H new ATOM 0 HA THR A 50 21.236 -38.321 -10.929 1.00 0.00 H new ATOM 0 HB THR A 50 18.828 -40.111 -11.342 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.781 -40.390 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 50 20.076 -41.171 -13.190 1.00 0.00 H new ATOM 0 HG22 THR A 50 19.723 -39.470 -13.579 1.00 0.00 H new ATOM 0 HG23 THR A 50 21.355 -39.942 -13.047 1.00 0.00 H new ATOM 728 N ALA A 51 18.408 -37.154 -12.063 1.00 0.00 N ATOM 729 CA ALA A 51 17.841 -36.183 -12.982 1.00 0.00 C ATOM 730 C ALA A 51 18.476 -34.815 -12.727 1.00 0.00 C ATOM 731 O ALA A 51 18.796 -34.090 -13.668 1.00 0.00 O ATOM 732 CB ALA A 51 16.319 -36.159 -12.825 1.00 0.00 C ATOM 0 H ALA A 51 17.730 -37.610 -11.453 1.00 0.00 H new ATOM 0 HA ALA A 51 18.057 -36.459 -14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.894 -35.430 -13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.915 -37.147 -13.046 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.063 -35.883 -11.802 1.00 0.00 H new ATOM 738 N CYS A 52 18.639 -34.502 -11.450 1.00 0.00 N ATOM 739 CA CYS A 52 19.230 -33.233 -11.060 1.00 0.00 C ATOM 740 C CYS A 52 20.554 -33.070 -11.808 1.00 0.00 C ATOM 741 O CYS A 52 20.764 -32.072 -12.496 1.00 0.00 O ATOM 742 CB CYS A 52 19.414 -33.138 -9.544 1.00 0.00 C ATOM 743 SG CYS A 52 18.064 -32.144 -8.810 1.00 0.00 S ATOM 0 H CYS A 52 18.372 -35.105 -10.672 1.00 0.00 H new ATOM 0 HA CYS A 52 18.559 -32.417 -11.330 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.420 -34.137 -9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.378 -32.683 -9.314 1.00 0.00 H new ATOM 0 HG CYS A 52 18.229 -32.072 -7.523 1.00 0.00 H new ATOM 749 N ASP A 53 21.414 -34.065 -11.647 1.00 0.00 N ATOM 750 CA ASP A 53 22.713 -34.044 -12.299 1.00 0.00 C ATOM 751 C ASP A 53 22.531 -33.705 -13.779 1.00 0.00 C ATOM 752 O ASP A 53 23.253 -32.869 -14.322 1.00 0.00 O ATOM 753 CB ASP A 53 23.397 -35.409 -12.207 1.00 0.00 C ATOM 754 CG ASP A 53 24.717 -35.524 -12.973 1.00 0.00 C ATOM 755 OD1 ASP A 53 25.596 -34.673 -12.720 1.00 0.00 O ATOM 756 OD2 ASP A 53 24.816 -36.461 -13.795 1.00 0.00 O ATOM 0 H ASP A 53 21.237 -34.891 -11.075 1.00 0.00 H new ATOM 0 HA ASP A 53 23.329 -33.297 -11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.583 -35.636 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.710 -36.169 -12.580 1.00 0.00 H new ATOM 761 N TRP A 54 21.562 -34.370 -14.391 1.00 0.00 N ATOM 762 CA TRP A 54 21.276 -34.149 -15.798 1.00 0.00 C ATOM 763 C TRP A 54 20.838 -32.693 -15.969 1.00 0.00 C ATOM 764 O TRP A 54 21.402 -31.963 -16.782 1.00 0.00 O ATOM 765 CB TRP A 54 20.237 -35.149 -16.310 1.00 0.00 C ATOM 766 CG TRP A 54 19.890 -34.984 -17.791 1.00 0.00 C ATOM 767 CD1 TRP A 54 20.379 -35.668 -18.834 1.00 0.00 C ATOM 768 CD2 TRP A 54 18.954 -34.041 -18.354 1.00 0.00 C ATOM 769 NE1 TRP A 54 19.828 -35.237 -20.024 1.00 0.00 N ATOM 770 CE2 TRP A 54 18.934 -34.217 -19.723 1.00 0.00 C ATOM 771 CE3 TRP A 54 18.150 -33.072 -17.728 1.00 0.00 C ATOM 772 CZ2 TRP A 54 18.128 -33.459 -20.582 1.00 0.00 C ATOM 773 CZ3 TRP A 54 17.350 -32.324 -18.600 1.00 0.00 C ATOM 774 CH2 TRP A 54 17.319 -32.488 -19.980 1.00 0.00 C ATOM 0 H TRP A 54 20.965 -35.062 -13.938 1.00 0.00 H new ATOM 0 HA TRP A 54 22.167 -34.318 -16.403 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.609 -36.160 -16.145 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.326 -35.045 -15.720 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.112 -36.457 -18.754 1.00 0.00 H new ATOM 0 HE1 TRP A 54 20.039 -35.601 -20.953 1.00 0.00 H new ATOM 0 HE3 TRP A 54 18.150 -32.917 -16.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.131 -33.615 -21.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 16.712 -31.566 -18.170 1.00 0.00 H new ATOM 0 HH2 TRP A 54 16.673 -31.869 -20.585 1.00 0.00 H new ATOM 785 N LEU A 55 19.836 -32.314 -15.189 1.00 0.00 N ATOM 786 CA LEU A 55 19.316 -30.958 -15.244 1.00 0.00 C ATOM 787 C LEU A 55 20.483 -29.974 -15.348 1.00 0.00 C ATOM 788 O LEU A 55 20.648 -29.308 -16.370 1.00 0.00 O ATOM 789 CB LEU A 55 18.391 -30.691 -14.055 1.00 0.00 C ATOM 790 CG LEU A 55 16.910 -31.010 -14.274 1.00 0.00 C ATOM 791 CD1 LEU A 55 16.289 -31.618 -13.015 1.00 0.00 C ATOM 792 CD2 LEU A 55 16.147 -29.772 -14.749 1.00 0.00 C ATOM 0 H LEU A 55 19.370 -32.922 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 55 18.702 -30.821 -16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 55 18.746 -31.274 -13.205 1.00 0.00 H new ATOM 0 HB3 LEU A 55 18.479 -29.640 -13.780 1.00 0.00 H new ATOM 0 HG LEU A 55 16.834 -31.757 -15.064 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.237 -31.835 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.811 -32.540 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.376 -30.912 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.097 -30.026 -14.897 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.228 -28.985 -13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.572 -29.422 -15.690 1.00 0.00 H new ATOM 804 N PHE A 56 21.261 -29.912 -14.278 1.00 0.00 N ATOM 805 CA PHE A 56 22.407 -29.019 -14.236 1.00 0.00 C ATOM 806 C PHE A 56 23.348 -29.281 -15.414 1.00 0.00 C ATOM 807 O PHE A 56 23.710 -28.357 -16.141 1.00 0.00 O ATOM 808 CB PHE A 56 23.150 -29.306 -12.930 1.00 0.00 C ATOM 809 CG PHE A 56 22.264 -29.252 -11.685 1.00 0.00 C ATOM 810 CD1 PHE A 56 21.396 -28.219 -11.512 1.00 0.00 C ATOM 811 CD2 PHE A 56 22.344 -30.237 -10.750 1.00 0.00 C ATOM 812 CE1 PHE A 56 20.573 -28.169 -10.356 1.00 0.00 C ATOM 813 CE2 PHE A 56 21.521 -30.186 -9.594 1.00 0.00 C ATOM 814 CZ PHE A 56 20.653 -29.153 -9.421 1.00 0.00 C ATOM 0 H PHE A 56 21.121 -30.466 -13.433 1.00 0.00 H new ATOM 0 HA PHE A 56 22.075 -27.983 -14.295 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.609 -30.293 -12.994 1.00 0.00 H new ATOM 0 HB3 PHE A 56 23.960 -28.585 -12.819 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.333 -27.437 -12.254 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.033 -31.057 -10.887 1.00 0.00 H new ATOM 0 HE1 PHE A 56 19.883 -27.349 -10.219 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.584 -30.968 -8.852 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.028 -29.114 -8.541 1.00 0.00 H new