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 29 MET CE :methyl -150:sc= -1.62 (180deg=-1.42!) USER MOD Set 1.2: A 52 CYS SG : rot 85:sc= -0.729 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 164:sc= 0.116 USER MOD Single : A 43 THR OG1 : rot -120:sc= 0.0407 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.42) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 16.145 -25.224 -13.610 1.00 0.00 N ATOM 298 CA ALA A 22 14.698 -25.352 -13.658 1.00 0.00 C ATOM 299 C ALA A 22 14.082 -24.551 -12.510 1.00 0.00 C ATOM 300 O ALA A 22 13.011 -23.965 -12.662 1.00 0.00 O ATOM 301 CB ALA A 22 14.314 -26.832 -13.610 1.00 0.00 C ATOM 0 HA ALA A 22 14.307 -24.945 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.229 -26.928 -13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.752 -27.349 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.687 -27.275 -12.686 1.00 0.00 H new ATOM 307 N LEU A 23 14.784 -24.552 -11.386 1.00 0.00 N ATOM 308 CA LEU A 23 14.318 -23.833 -10.212 1.00 0.00 C ATOM 309 C LEU A 23 14.668 -22.351 -10.356 1.00 0.00 C ATOM 310 O LEU A 23 13.858 -21.484 -10.028 1.00 0.00 O ATOM 311 CB LEU A 23 14.870 -24.475 -8.937 1.00 0.00 C ATOM 312 CG LEU A 23 14.927 -23.572 -7.703 1.00 0.00 C ATOM 313 CD1 LEU A 23 13.537 -23.041 -7.348 1.00 0.00 C ATOM 314 CD2 LEU A 23 15.581 -24.296 -6.524 1.00 0.00 C ATOM 0 H LEU A 23 15.672 -25.039 -11.263 1.00 0.00 H new ATOM 0 HA LEU A 23 13.233 -23.898 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.259 -25.345 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.876 -24.839 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 23 15.551 -22.710 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.606 -22.402 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.143 -22.464 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.871 -23.878 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.609 -23.632 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.003 -25.187 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.597 -24.585 -6.793 1.00 0.00 H new ATOM 326 N ASP A 24 15.874 -22.105 -10.846 1.00 0.00 N ATOM 327 CA ASP A 24 16.340 -20.742 -11.037 1.00 0.00 C ATOM 328 C ASP A 24 15.442 -20.038 -12.056 1.00 0.00 C ATOM 329 O ASP A 24 15.394 -18.810 -12.103 1.00 0.00 O ATOM 330 CB ASP A 24 17.772 -20.720 -11.574 1.00 0.00 C ATOM 331 CG ASP A 24 18.865 -20.750 -10.504 1.00 0.00 C ATOM 332 OD1 ASP A 24 18.865 -19.822 -9.667 1.00 0.00 O ATOM 333 OD2 ASP A 24 19.676 -21.700 -10.548 1.00 0.00 O ATOM 0 H ASP A 24 16.543 -22.826 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 24 16.309 -20.237 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.909 -21.575 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.903 -19.824 -12.180 1.00 0.00 H new ATOM 338 N VAL A 25 14.752 -20.847 -12.847 1.00 0.00 N ATOM 339 CA VAL A 25 13.858 -20.317 -13.862 1.00 0.00 C ATOM 340 C VAL A 25 12.597 -19.770 -13.190 1.00 0.00 C ATOM 341 O VAL A 25 12.179 -18.646 -13.467 1.00 0.00 O ATOM 342 CB VAL A 25 13.558 -21.393 -14.909 1.00 0.00 C ATOM 343 CG1 VAL A 25 12.532 -20.895 -15.928 1.00 0.00 C ATOM 344 CG2 VAL A 25 14.841 -21.855 -15.602 1.00 0.00 C ATOM 0 H VAL A 25 14.794 -21.865 -12.805 1.00 0.00 H new ATOM 0 HA VAL A 25 14.330 -19.489 -14.391 1.00 0.00 H new ATOM 0 HB VAL A 25 13.128 -22.252 -14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.337 -21.678 -16.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.605 -20.638 -15.415 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.922 -20.013 -16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.600 -22.619 -16.341 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.312 -21.007 -16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 25 15.526 -22.269 -14.862 1.00 0.00 H new ATOM 354 N LEU A 26 12.025 -20.589 -12.320 1.00 0.00 N ATOM 355 CA LEU A 26 10.821 -20.201 -11.606 1.00 0.00 C ATOM 356 C LEU A 26 11.116 -18.970 -10.747 1.00 0.00 C ATOM 357 O LEU A 26 10.303 -18.050 -10.675 1.00 0.00 O ATOM 358 CB LEU A 26 10.263 -21.385 -10.813 1.00 0.00 C ATOM 359 CG LEU A 26 9.496 -22.432 -11.621 1.00 0.00 C ATOM 360 CD1 LEU A 26 9.673 -23.828 -11.019 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.020 -22.049 -11.755 1.00 0.00 C ATOM 0 H LEU A 26 12.373 -21.520 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 26 10.036 -19.919 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.092 -21.881 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.602 -20.998 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 26 9.914 -22.460 -12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.117 -24.554 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.730 -24.093 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.298 -23.833 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.498 -22.811 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.572 -21.976 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.938 -21.088 -12.262 1.00 0.00 H new ATOM 373 N LEU A 27 12.282 -18.992 -10.119 1.00 0.00 N ATOM 374 CA LEU A 27 12.695 -17.889 -9.268 1.00 0.00 C ATOM 375 C LEU A 27 12.819 -16.619 -10.112 1.00 0.00 C ATOM 376 O LEU A 27 12.639 -15.512 -9.605 1.00 0.00 O ATOM 377 CB LEU A 27 13.972 -18.248 -8.506 1.00 0.00 C ATOM 378 CG LEU A 27 13.861 -19.416 -7.524 1.00 0.00 C ATOM 379 CD1 LEU A 27 15.220 -20.087 -7.314 1.00 0.00 C ATOM 380 CD2 LEU A 27 13.236 -18.963 -6.203 1.00 0.00 C ATOM 0 H LEU A 27 12.954 -19.757 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 27 11.941 -17.694 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.751 -18.482 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.303 -17.367 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 27 13.196 -20.164 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.113 -20.914 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.590 -20.466 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.927 -19.360 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.168 -19.812 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.856 -18.187 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.238 -18.567 -6.390 1.00 0.00 H new ATOM 392 N SER A 28 13.125 -16.820 -11.385 1.00 0.00 N ATOM 393 CA SER A 28 13.274 -15.704 -12.304 1.00 0.00 C ATOM 394 C SER A 28 11.900 -15.234 -12.785 1.00 0.00 C ATOM 395 O SER A 28 11.790 -14.206 -13.452 1.00 0.00 O ATOM 396 CB SER A 28 14.152 -16.088 -13.497 1.00 0.00 C ATOM 397 OG SER A 28 14.924 -14.986 -13.967 1.00 0.00 O ATOM 0 H SER A 28 13.274 -17.739 -11.802 1.00 0.00 H new ATOM 0 HA SER A 28 13.764 -14.887 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.818 -16.902 -13.210 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.523 -16.461 -14.305 1.00 0.00 H new ATOM 0 HG SER A 28 15.472 -15.271 -14.728 1.00 0.00 H new ATOM 403 N MET A 29 10.887 -16.010 -12.429 1.00 0.00 N ATOM 404 CA MET A 29 9.524 -15.686 -12.816 1.00 0.00 C ATOM 405 C MET A 29 8.802 -14.930 -11.699 1.00 0.00 C ATOM 406 O MET A 29 7.663 -14.498 -11.872 1.00 0.00 O ATOM 407 CB MET A 29 8.764 -16.975 -13.135 1.00 0.00 C ATOM 408 CG MET A 29 8.860 -17.314 -14.624 1.00 0.00 C ATOM 409 SD MET A 29 7.327 -18.033 -15.186 1.00 0.00 S ATOM 410 CE MET A 29 7.620 -19.746 -14.780 1.00 0.00 C ATOM 0 H MET A 29 10.982 -16.862 -11.877 1.00 0.00 H new ATOM 0 HA MET A 29 9.559 -15.047 -13.698 1.00 0.00 H new ATOM 0 HB2 MET A 29 9.170 -17.796 -12.544 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.718 -16.864 -12.850 1.00 0.00 H new ATOM 0 HG2 MET A 29 9.080 -16.413 -15.197 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.682 -18.010 -14.795 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.083 -20.383 -15.483 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.688 -19.957 -14.841 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.268 -19.945 -13.768 1.00 0.00 H new ATOM 420 N GLY A 30 9.494 -14.792 -10.577 1.00 0.00 N ATOM 421 CA GLY A 30 8.933 -14.096 -9.432 1.00 0.00 C ATOM 422 C GLY A 30 8.267 -15.078 -8.466 1.00 0.00 C ATOM 423 O GLY A 30 7.248 -14.758 -7.855 1.00 0.00 O ATOM 0 H GLY A 30 10.439 -15.151 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.720 -13.548 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.202 -13.361 -9.771 1.00 0.00 H new ATOM 427 N PHE A 31 8.870 -16.252 -8.357 1.00 0.00 N ATOM 428 CA PHE A 31 8.348 -17.283 -7.475 1.00 0.00 C ATOM 429 C PHE A 31 9.378 -17.666 -6.410 1.00 0.00 C ATOM 430 O PHE A 31 10.579 -17.669 -6.676 1.00 0.00 O ATOM 431 CB PHE A 31 8.051 -18.506 -8.344 1.00 0.00 C ATOM 432 CG PHE A 31 6.652 -18.505 -8.964 1.00 0.00 C ATOM 433 CD1 PHE A 31 5.554 -18.471 -8.163 1.00 0.00 C ATOM 434 CD2 PHE A 31 6.507 -18.536 -10.316 1.00 0.00 C ATOM 435 CE1 PHE A 31 4.255 -18.469 -8.738 1.00 0.00 C ATOM 436 CE2 PHE A 31 5.209 -18.535 -10.891 1.00 0.00 C ATOM 437 CZ PHE A 31 4.111 -18.501 -10.090 1.00 0.00 C ATOM 0 H PHE A 31 9.715 -16.513 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 31 7.456 -16.920 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.791 -18.560 -9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.169 -19.405 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.669 -18.446 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.379 -18.561 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.383 -18.442 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.094 -18.561 -11.965 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.124 -18.499 -10.528 1.00 0.00 H new ATOM 447 N PRO A 32 8.857 -17.987 -5.196 1.00 0.00 N ATOM 448 CA PRO A 32 9.717 -18.371 -4.090 1.00 0.00 C ATOM 449 C PRO A 32 10.249 -19.794 -4.277 1.00 0.00 C ATOM 450 O PRO A 32 9.512 -20.686 -4.693 1.00 0.00 O ATOM 451 CB PRO A 32 8.854 -18.219 -2.848 1.00 0.00 C ATOM 452 CG PRO A 32 7.415 -18.204 -3.340 1.00 0.00 C ATOM 453 CD PRO A 32 7.439 -17.994 -4.845 1.00 0.00 C ATOM 0 HA PRO A 32 10.610 -17.750 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.021 -19.042 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.094 -17.299 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.918 -19.142 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.853 -17.407 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.906 -18.791 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.958 -17.056 -5.122 1.00 0.00 H new ATOM 461 N ARG A 33 11.525 -19.960 -3.961 1.00 0.00 N ATOM 462 CA ARG A 33 12.164 -21.259 -4.089 1.00 0.00 C ATOM 463 C ARG A 33 11.223 -22.364 -3.605 1.00 0.00 C ATOM 464 O ARG A 33 11.076 -23.392 -4.264 1.00 0.00 O ATOM 465 CB ARG A 33 13.463 -21.316 -3.283 1.00 0.00 C ATOM 466 CG ARG A 33 14.394 -22.405 -3.819 1.00 0.00 C ATOM 467 CD ARG A 33 15.764 -22.338 -3.141 1.00 0.00 C ATOM 468 NE ARG A 33 16.567 -23.527 -3.504 1.00 0.00 N ATOM 469 CZ ARG A 33 17.858 -23.687 -3.184 1.00 0.00 C ATOM 470 NH1 ARG A 33 18.501 -22.736 -2.493 1.00 0.00 N ATOM 471 NH2 ARG A 33 18.508 -24.799 -3.556 1.00 0.00 N ATOM 0 H ARG A 33 12.133 -19.217 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 33 12.397 -21.411 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.965 -20.349 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.236 -21.510 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.948 -23.385 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.512 -22.290 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.285 -21.430 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.641 -22.288 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 33 16.109 -24.271 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.008 -21.889 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.484 -22.859 -2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.020 -25.523 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.491 -24.921 -3.312 1.00 0.00 H new ATOM 485 N ALA A 34 10.610 -22.114 -2.457 1.00 0.00 N ATOM 486 CA ALA A 34 9.687 -23.075 -1.877 1.00 0.00 C ATOM 487 C ALA A 34 8.659 -23.489 -2.932 1.00 0.00 C ATOM 488 O ALA A 34 8.553 -24.667 -3.272 1.00 0.00 O ATOM 489 CB ALA A 34 9.034 -22.469 -0.633 1.00 0.00 C ATOM 0 H ALA A 34 10.734 -21.260 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 34 10.217 -23.974 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.342 -23.190 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.804 -22.219 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.491 -21.566 -0.911 1.00 0.00 H new ATOM 495 N ARG A 35 7.928 -22.498 -3.421 1.00 0.00 N ATOM 496 CA ARG A 35 6.912 -22.745 -4.430 1.00 0.00 C ATOM 497 C ARG A 35 7.495 -23.571 -5.579 1.00 0.00 C ATOM 498 O ARG A 35 6.957 -24.621 -5.928 1.00 0.00 O ATOM 499 CB ARG A 35 6.357 -21.432 -4.986 1.00 0.00 C ATOM 500 CG ARG A 35 4.842 -21.351 -4.792 1.00 0.00 C ATOM 501 CD ARG A 35 4.492 -20.549 -3.537 1.00 0.00 C ATOM 502 NE ARG A 35 3.022 -20.478 -3.376 1.00 0.00 N ATOM 503 CZ ARG A 35 2.275 -21.462 -2.858 1.00 0.00 C ATOM 504 NH1 ARG A 35 2.854 -22.599 -2.449 1.00 0.00 N ATOM 505 NH2 ARG A 35 0.948 -21.310 -2.750 1.00 0.00 N ATOM 0 H ARG A 35 8.019 -21.523 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 35 6.101 -23.297 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.837 -20.590 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.596 -21.352 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.384 -20.885 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.428 -22.356 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.940 -21.016 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.907 -19.544 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 35 2.548 -19.627 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.864 -22.716 -2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.285 -23.348 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.507 -20.445 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.379 -22.059 -2.356 1.00 0.00 H new ATOM 519 N ALA A 36 8.586 -23.066 -6.134 1.00 0.00 N ATOM 520 CA ALA A 36 9.248 -23.745 -7.236 1.00 0.00 C ATOM 521 C ALA A 36 9.614 -25.167 -6.808 1.00 0.00 C ATOM 522 O ALA A 36 9.507 -26.104 -7.598 1.00 0.00 O ATOM 523 CB ALA A 36 10.470 -22.935 -7.674 1.00 0.00 C ATOM 0 H ALA A 36 9.029 -22.195 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 36 8.582 -23.821 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.967 -23.444 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.153 -21.943 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.162 -22.840 -6.838 1.00 0.00 H new ATOM 529 N GLN A 37 10.037 -25.284 -5.558 1.00 0.00 N ATOM 530 CA GLN A 37 10.419 -26.577 -5.015 1.00 0.00 C ATOM 531 C GLN A 37 9.196 -27.489 -4.905 1.00 0.00 C ATOM 532 O GLN A 37 9.165 -28.566 -5.499 1.00 0.00 O ATOM 533 CB GLN A 37 11.109 -26.419 -3.659 1.00 0.00 C ATOM 534 CG GLN A 37 12.591 -26.080 -3.833 1.00 0.00 C ATOM 535 CD GLN A 37 13.471 -27.296 -3.533 1.00 0.00 C ATOM 536 OE1 GLN A 37 13.913 -28.009 -4.420 1.00 0.00 O ATOM 537 NE2 GLN A 37 13.699 -27.492 -2.238 1.00 0.00 N ATOM 0 H GLN A 37 10.124 -24.505 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 37 11.132 -27.040 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.617 -25.633 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.008 -27.341 -3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.772 -25.738 -4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.860 -25.259 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.298 -26.857 -1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.275 -28.278 -1.935 1.00 0.00 H new ATOM 546 N LYS A 38 8.218 -27.024 -4.141 1.00 0.00 N ATOM 547 CA LYS A 38 6.995 -27.785 -3.946 1.00 0.00 C ATOM 548 C LYS A 38 6.499 -28.301 -5.298 1.00 0.00 C ATOM 549 O LYS A 38 6.131 -29.468 -5.425 1.00 0.00 O ATOM 550 CB LYS A 38 5.960 -26.951 -3.189 1.00 0.00 C ATOM 551 CG LYS A 38 5.091 -27.836 -2.293 1.00 0.00 C ATOM 552 CD LYS A 38 5.829 -28.204 -1.004 1.00 0.00 C ATOM 553 CE LYS A 38 4.960 -27.925 0.224 1.00 0.00 C ATOM 554 NZ LYS A 38 5.766 -27.301 1.298 1.00 0.00 N ATOM 0 H LYS A 38 8.248 -26.130 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 38 7.185 -28.658 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.466 -26.200 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.329 -26.416 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.165 -27.315 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.815 -28.744 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.105 -29.258 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.755 -27.634 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.135 -27.267 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.520 -28.855 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.161 -27.118 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.538 -27.942 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.165 -26.404 0.956 1.00 0.00 H new ATOM 568 N ALA A 39 6.506 -27.406 -6.276 1.00 0.00 N ATOM 569 CA ALA A 39 6.061 -27.756 -7.614 1.00 0.00 C ATOM 570 C ALA A 39 7.036 -28.766 -8.223 1.00 0.00 C ATOM 571 O ALA A 39 6.644 -29.877 -8.576 1.00 0.00 O ATOM 572 CB ALA A 39 5.933 -26.486 -8.458 1.00 0.00 C ATOM 0 H ALA A 39 6.813 -26.439 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 39 5.078 -28.226 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.599 -26.748 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.207 -25.815 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.901 -25.989 -8.516 1.00 0.00 H new ATOM 578 N LEU A 40 8.287 -28.343 -8.327 1.00 0.00 N ATOM 579 CA LEU A 40 9.321 -29.196 -8.887 1.00 0.00 C ATOM 580 C LEU A 40 9.155 -30.616 -8.342 1.00 0.00 C ATOM 581 O LEU A 40 8.957 -31.559 -9.106 1.00 0.00 O ATOM 582 CB LEU A 40 10.706 -28.598 -8.632 1.00 0.00 C ATOM 583 CG LEU A 40 11.104 -27.423 -9.528 1.00 0.00 C ATOM 584 CD1 LEU A 40 12.131 -26.527 -8.833 1.00 0.00 C ATOM 585 CD2 LEU A 40 11.600 -27.914 -10.889 1.00 0.00 C ATOM 0 H LEU A 40 8.608 -27.421 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 40 9.220 -29.256 -9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.753 -28.270 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.448 -29.387 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 40 10.217 -26.816 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.397 -25.700 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.705 -26.134 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.024 -27.108 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.876 -27.059 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.469 -28.556 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.808 -28.477 -11.383 1.00 0.00 H new ATOM 597 N ALA A 41 9.242 -30.724 -7.024 1.00 0.00 N ATOM 598 CA ALA A 41 9.104 -32.013 -6.368 1.00 0.00 C ATOM 599 C ALA A 41 7.848 -32.714 -6.889 1.00 0.00 C ATOM 600 O ALA A 41 7.926 -33.823 -7.416 1.00 0.00 O ATOM 601 CB ALA A 41 9.073 -31.813 -4.851 1.00 0.00 C ATOM 0 H ALA A 41 9.406 -29.940 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 41 9.957 -32.653 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.969 -32.780 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.999 -31.338 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.228 -31.178 -4.585 1.00 0.00 H new ATOM 607 N SER A 42 6.721 -32.038 -6.725 1.00 0.00 N ATOM 608 CA SER A 42 5.450 -32.583 -7.173 1.00 0.00 C ATOM 609 C SER A 42 5.607 -33.203 -8.562 1.00 0.00 C ATOM 610 O SER A 42 5.251 -34.361 -8.773 1.00 0.00 O ATOM 611 CB SER A 42 4.365 -31.504 -7.192 1.00 0.00 C ATOM 612 OG SER A 42 4.124 -30.965 -5.895 1.00 0.00 O ATOM 0 H SER A 42 6.661 -31.118 -6.288 1.00 0.00 H new ATOM 0 HA SER A 42 5.142 -33.357 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.663 -30.702 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.441 -31.926 -7.586 1.00 0.00 H new ATOM 0 HG SER A 42 3.626 -30.125 -5.977 1.00 0.00 H new ATOM 618 N THR A 43 6.141 -32.404 -9.475 1.00 0.00 N ATOM 619 CA THR A 43 6.349 -32.861 -10.839 1.00 0.00 C ATOM 620 C THR A 43 7.795 -33.322 -11.032 1.00 0.00 C ATOM 621 O THR A 43 8.350 -33.198 -12.122 1.00 0.00 O ATOM 622 CB THR A 43 5.942 -31.728 -11.784 1.00 0.00 C ATOM 623 OG1 THR A 43 6.559 -30.571 -11.226 1.00 0.00 O ATOM 624 CG2 THR A 43 4.445 -31.420 -11.717 1.00 0.00 C ATOM 0 H THR A 43 6.436 -31.444 -9.297 1.00 0.00 H new ATOM 0 HA THR A 43 5.731 -33.730 -11.064 1.00 0.00 H new ATOM 0 HB THR A 43 6.213 -31.993 -12.806 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.871 -29.912 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.209 -30.609 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.878 -32.309 -11.994 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.180 -31.122 -10.702 1.00 0.00 H new ATOM 632 N GLY A 44 8.364 -33.845 -9.955 1.00 0.00 N ATOM 633 CA GLY A 44 9.735 -34.325 -9.992 1.00 0.00 C ATOM 634 C GLY A 44 10.718 -33.167 -10.171 1.00 0.00 C ATOM 635 O GLY A 44 11.485 -32.853 -9.263 1.00 0.00 O ATOM 0 H GLY A 44 7.901 -33.947 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.962 -34.859 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.853 -35.036 -10.810 1.00 0.00 H new ATOM 639 N GLY A 45 10.662 -32.562 -11.349 1.00 0.00 N ATOM 640 CA GLY A 45 11.538 -31.445 -11.659 1.00 0.00 C ATOM 641 C GLY A 45 12.182 -31.619 -13.036 1.00 0.00 C ATOM 642 O GLY A 45 13.406 -31.645 -13.154 1.00 0.00 O ATOM 0 H GLY A 45 10.024 -32.824 -12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.970 -30.515 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.314 -31.365 -10.898 1.00 0.00 H new ATOM 646 N ARG A 46 11.328 -31.732 -14.043 1.00 0.00 N ATOM 647 CA ARG A 46 11.799 -31.903 -15.407 1.00 0.00 C ATOM 648 C ARG A 46 11.580 -30.618 -16.209 1.00 0.00 C ATOM 649 O ARG A 46 12.479 -30.160 -16.912 1.00 0.00 O ATOM 650 CB ARG A 46 11.072 -33.058 -16.100 1.00 0.00 C ATOM 651 CG ARG A 46 11.571 -34.408 -15.582 1.00 0.00 C ATOM 652 CD ARG A 46 11.120 -35.547 -16.499 1.00 0.00 C ATOM 653 NE ARG A 46 12.299 -36.202 -17.110 1.00 0.00 N ATOM 654 CZ ARG A 46 13.197 -36.922 -16.424 1.00 0.00 C ATOM 655 NH1 ARG A 46 13.057 -37.085 -15.101 1.00 0.00 N ATOM 656 NH2 ARG A 46 14.236 -37.480 -17.061 1.00 0.00 N ATOM 0 H ARG A 46 10.313 -31.708 -13.942 1.00 0.00 H new ATOM 0 HA ARG A 46 12.864 -32.132 -15.364 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.999 -32.972 -15.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.228 -32.997 -17.177 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.659 -34.397 -15.517 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.193 -34.577 -14.574 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.543 -36.276 -15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.464 -35.159 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 46 12.436 -36.099 -18.115 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.266 -36.661 -14.616 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.741 -37.633 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.343 -37.356 -18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.920 -38.028 -16.539 1.00 0.00 H new ATOM 670 N SER A 47 10.380 -30.072 -16.075 1.00 0.00 N ATOM 671 CA SER A 47 10.032 -28.849 -16.778 1.00 0.00 C ATOM 672 C SER A 47 9.352 -27.869 -15.818 1.00 0.00 C ATOM 673 O SER A 47 8.727 -28.283 -14.843 1.00 0.00 O ATOM 674 CB SER A 47 9.121 -29.140 -17.972 1.00 0.00 C ATOM 675 OG SER A 47 8.868 -27.972 -18.748 1.00 0.00 O ATOM 0 H SER A 47 9.637 -30.454 -15.490 1.00 0.00 H new ATOM 0 HA SER A 47 10.950 -28.399 -17.157 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.581 -29.901 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.176 -29.550 -17.616 1.00 0.00 H new ATOM 0 HG SER A 47 8.284 -28.200 -19.501 1.00 0.00 H new ATOM 681 N VAL A 48 9.498 -26.590 -16.129 1.00 0.00 N ATOM 682 CA VAL A 48 8.906 -25.548 -15.306 1.00 0.00 C ATOM 683 C VAL A 48 7.464 -25.308 -15.755 1.00 0.00 C ATOM 684 O VAL A 48 6.634 -24.851 -14.971 1.00 0.00 O ATOM 685 CB VAL A 48 9.768 -24.285 -15.361 1.00 0.00 C ATOM 686 CG1 VAL A 48 11.063 -24.469 -14.567 1.00 0.00 C ATOM 687 CG2 VAL A 48 10.065 -23.887 -16.808 1.00 0.00 C ATOM 0 H VAL A 48 10.017 -26.251 -16.939 1.00 0.00 H new ATOM 0 HA VAL A 48 8.874 -25.858 -14.261 1.00 0.00 H new ATOM 0 HB VAL A 48 9.204 -23.475 -14.899 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.657 -23.557 -14.623 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.824 -24.683 -13.525 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.632 -25.299 -14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.679 -22.986 -16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.599 -24.696 -17.306 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.129 -23.694 -17.332 1.00 0.00 H new ATOM 697 N GLN A 49 7.209 -25.627 -17.016 1.00 0.00 N ATOM 698 CA GLN A 49 5.881 -25.451 -17.579 1.00 0.00 C ATOM 699 C GLN A 49 4.886 -26.391 -16.894 1.00 0.00 C ATOM 700 O GLN A 49 3.802 -25.969 -16.496 1.00 0.00 O ATOM 701 CB GLN A 49 5.893 -25.673 -19.092 1.00 0.00 C ATOM 702 CG GLN A 49 5.907 -24.340 -19.842 1.00 0.00 C ATOM 703 CD GLN A 49 6.910 -24.370 -20.997 1.00 0.00 C ATOM 704 OE1 GLN A 49 7.155 -25.395 -21.614 1.00 0.00 O ATOM 705 NE2 GLN A 49 7.474 -23.194 -21.255 1.00 0.00 N ATOM 0 H GLN A 49 7.900 -26.006 -17.664 1.00 0.00 H new ATOM 0 HA GLN A 49 5.564 -24.424 -17.399 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.768 -26.260 -19.370 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.016 -26.250 -19.385 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.910 -24.125 -20.227 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.164 -23.534 -19.154 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.224 -22.376 -20.700 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.157 -23.110 -22.008 1.00 0.00 H new ATOM 714 N THR A 50 5.291 -27.647 -16.780 1.00 0.00 N ATOM 715 CA THR A 50 4.448 -28.650 -16.151 1.00 0.00 C ATOM 716 C THR A 50 4.264 -28.336 -14.665 1.00 0.00 C ATOM 717 O THR A 50 3.191 -28.563 -14.107 1.00 0.00 O ATOM 718 CB THR A 50 5.074 -30.022 -16.409 1.00 0.00 C ATOM 719 OG1 THR A 50 4.621 -30.370 -17.715 1.00 0.00 O ATOM 720 CG2 THR A 50 4.487 -31.112 -15.509 1.00 0.00 C ATOM 0 H THR A 50 6.191 -27.993 -17.112 1.00 0.00 H new ATOM 0 HA THR A 50 3.445 -28.648 -16.578 1.00 0.00 H new ATOM 0 HB THR A 50 6.151 -29.964 -16.254 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.982 -31.247 -17.964 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.966 -32.065 -15.733 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.662 -30.855 -14.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.415 -31.193 -15.688 1.00 0.00 H new ATOM 728 N ALA A 51 5.327 -27.819 -14.066 1.00 0.00 N ATOM 729 CA ALA A 51 5.296 -27.472 -12.655 1.00 0.00 C ATOM 730 C ALA A 51 4.388 -26.257 -12.453 1.00 0.00 C ATOM 731 O ALA A 51 3.583 -26.227 -11.523 1.00 0.00 O ATOM 732 CB ALA A 51 6.722 -27.222 -12.160 1.00 0.00 C ATOM 0 H ALA A 51 6.215 -27.632 -14.532 1.00 0.00 H new ATOM 0 HA ALA A 51 4.885 -28.292 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.699 -26.962 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.319 -28.123 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.165 -26.403 -12.726 1.00 0.00 H new ATOM 738 N CYS A 52 4.547 -25.286 -13.340 1.00 0.00 N ATOM 739 CA CYS A 52 3.751 -24.072 -13.270 1.00 0.00 C ATOM 740 C CYS A 52 2.277 -24.469 -13.169 1.00 0.00 C ATOM 741 O CYS A 52 1.537 -23.920 -12.355 1.00 0.00 O ATOM 742 CB CYS A 52 4.014 -23.154 -14.466 1.00 0.00 C ATOM 743 SG CYS A 52 5.138 -21.795 -13.977 1.00 0.00 S ATOM 0 H CYS A 52 5.215 -25.315 -14.111 1.00 0.00 H new ATOM 0 HA CYS A 52 4.033 -23.499 -12.387 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.455 -23.725 -15.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.073 -22.744 -14.834 1.00 0.00 H new ATOM 0 HG CYS A 52 6.371 -22.194 -14.077 1.00 0.00 H new ATOM 749 N ASP A 53 1.894 -25.421 -14.008 1.00 0.00 N ATOM 750 CA ASP A 53 0.522 -25.898 -14.023 1.00 0.00 C ATOM 751 C ASP A 53 0.143 -26.392 -12.626 1.00 0.00 C ATOM 752 O ASP A 53 -0.938 -26.083 -12.127 1.00 0.00 O ATOM 753 CB ASP A 53 0.355 -27.065 -14.999 1.00 0.00 C ATOM 754 CG ASP A 53 -0.993 -27.117 -15.720 1.00 0.00 C ATOM 755 OD1 ASP A 53 -1.954 -26.540 -15.168 1.00 0.00 O ATOM 756 OD2 ASP A 53 -1.031 -27.733 -16.807 1.00 0.00 O ATOM 0 H ASP A 53 2.511 -25.875 -14.682 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.118 -25.073 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.147 -27.011 -15.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.494 -27.998 -14.453 1.00 0.00 H new ATOM 761 N TRP A 54 1.054 -27.151 -12.034 1.00 0.00 N ATOM 762 CA TRP A 54 0.829 -27.690 -10.704 1.00 0.00 C ATOM 763 C TRP A 54 0.615 -26.516 -9.747 1.00 0.00 C ATOM 764 O TRP A 54 -0.406 -26.443 -9.066 1.00 0.00 O ATOM 765 CB TRP A 54 1.980 -28.605 -10.281 1.00 0.00 C ATOM 766 CG TRP A 54 1.799 -29.235 -8.899 1.00 0.00 C ATOM 767 CD1 TRP A 54 1.261 -30.425 -8.599 1.00 0.00 C ATOM 768 CD2 TRP A 54 2.180 -28.656 -7.633 1.00 0.00 C ATOM 769 NE1 TRP A 54 1.268 -30.655 -7.238 1.00 0.00 N ATOM 770 CE2 TRP A 54 1.844 -29.544 -6.632 1.00 0.00 C ATOM 771 CE3 TRP A 54 2.789 -27.422 -7.344 1.00 0.00 C ATOM 772 CZ2 TRP A 54 2.078 -29.294 -5.275 1.00 0.00 C ATOM 773 CZ3 TRP A 54 3.015 -27.187 -5.982 1.00 0.00 C ATOM 774 CH2 TRP A 54 2.683 -28.071 -4.963 1.00 0.00 C ATOM 0 H TRP A 54 1.949 -27.405 -12.451 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.062 -28.318 -10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.089 -29.399 -11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.907 -28.032 -10.289 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.871 -31.117 -9.330 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.916 -31.487 -6.764 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.061 -26.712 -8.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.806 -30.006 -4.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.480 -26.253 -5.704 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.891 -27.816 -3.934 1.00 0.00 H new ATOM 785 N LEU A 55 1.597 -25.626 -9.726 1.00 0.00 N ATOM 786 CA LEU A 55 1.529 -24.458 -8.863 1.00 0.00 C ATOM 787 C LEU A 55 0.107 -23.894 -8.886 1.00 0.00 C ATOM 788 O LEU A 55 -0.571 -23.870 -7.860 1.00 0.00 O ATOM 789 CB LEU A 55 2.601 -23.440 -9.256 1.00 0.00 C ATOM 790 CG LEU A 55 3.994 -23.670 -8.665 1.00 0.00 C ATOM 791 CD1 LEU A 55 5.077 -23.496 -9.731 1.00 0.00 C ATOM 792 CD2 LEU A 55 4.231 -22.766 -7.453 1.00 0.00 C ATOM 0 H LEU A 55 2.443 -25.690 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 55 1.746 -24.733 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.686 -23.433 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.260 -22.449 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 55 4.051 -24.700 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.057 -23.665 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.915 -24.215 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.031 -22.484 -10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.228 -22.949 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.148 -21.722 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.486 -22.982 -6.687 1.00 0.00 H new ATOM 804 N PHE A 56 -0.302 -23.455 -10.067 1.00 0.00 N ATOM 805 CA PHE A 56 -1.631 -22.893 -10.236 1.00 0.00 C ATOM 806 C PHE A 56 -2.710 -23.925 -9.901 1.00 0.00 C ATOM 807 O PHE A 56 -3.565 -23.680 -9.052 1.00 0.00 O ATOM 808 CB PHE A 56 -1.763 -22.494 -11.707 1.00 0.00 C ATOM 809 CG PHE A 56 -0.604 -21.641 -12.228 1.00 0.00 C ATOM 810 CD1 PHE A 56 -0.177 -20.566 -11.513 1.00 0.00 C ATOM 811 CD2 PHE A 56 -0.002 -21.958 -13.405 1.00 0.00 C ATOM 812 CE1 PHE A 56 0.899 -19.775 -11.996 1.00 0.00 C ATOM 813 CE2 PHE A 56 1.074 -21.167 -13.888 1.00 0.00 C ATOM 814 CZ PHE A 56 1.501 -20.092 -13.173 1.00 0.00 C ATOM 0 H PHE A 56 0.263 -23.477 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.762 -22.041 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.836 -23.397 -12.312 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.694 -21.944 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.656 -20.314 -10.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.342 -22.811 -13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.239 -18.922 -11.428 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.553 -21.419 -14.823 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.319 -19.490 -13.540 1.00 0.00 H new