USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 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 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 178:sc= 2.04 USER MOD Single : A 43 THR OG1 : rot 150:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.0289 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 15.613 -11.994 11.559 1.00 0.00 N ATOM 298 CA ALA A 22 14.262 -12.520 11.663 1.00 0.00 C ATOM 299 C ALA A 22 14.127 -13.314 12.963 1.00 0.00 C ATOM 300 O ALA A 22 13.111 -13.219 13.650 1.00 0.00 O ATOM 301 CB ALA A 22 13.948 -13.366 10.427 1.00 0.00 C ATOM 0 HA ALA A 22 13.535 -11.708 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.935 -13.761 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.029 -12.748 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.656 -14.193 10.362 1.00 0.00 H new ATOM 307 N LEU A 23 15.167 -14.079 13.262 1.00 0.00 N ATOM 308 CA LEU A 23 15.177 -14.889 14.468 1.00 0.00 C ATOM 309 C LEU A 23 15.376 -13.983 15.685 1.00 0.00 C ATOM 310 O LEU A 23 14.683 -14.127 16.691 1.00 0.00 O ATOM 311 CB LEU A 23 16.219 -16.004 14.356 1.00 0.00 C ATOM 312 CG LEU A 23 16.754 -16.558 15.678 1.00 0.00 C ATOM 313 CD1 LEU A 23 15.635 -17.212 16.491 1.00 0.00 C ATOM 314 CD2 LEU A 23 17.923 -17.516 15.438 1.00 0.00 C ATOM 0 H LEU A 23 16.008 -14.155 12.690 1.00 0.00 H new ATOM 0 HA LEU A 23 14.218 -15.391 14.597 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.782 -16.827 13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.061 -15.630 13.774 1.00 0.00 H new ATOM 0 HG LEU A 23 17.136 -15.725 16.268 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.042 -17.598 17.426 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.864 -16.473 16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.201 -18.032 15.919 1.00 0.00 H new ATOM 0 HD21 LEU A 23 18.285 -17.895 16.394 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.589 -18.349 14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.729 -16.987 14.930 1.00 0.00 H new ATOM 326 N ASP A 24 16.325 -13.068 15.553 1.00 0.00 N ATOM 327 CA ASP A 24 16.624 -12.139 16.629 1.00 0.00 C ATOM 328 C ASP A 24 15.340 -11.417 17.044 1.00 0.00 C ATOM 329 O ASP A 24 15.181 -11.044 18.205 1.00 0.00 O ATOM 330 CB ASP A 24 17.636 -11.083 16.180 1.00 0.00 C ATOM 331 CG ASP A 24 19.095 -11.404 16.508 1.00 0.00 C ATOM 332 OD1 ASP A 24 19.523 -12.524 16.154 1.00 0.00 O ATOM 333 OD2 ASP A 24 19.749 -10.523 17.107 1.00 0.00 O ATOM 0 H ASP A 24 16.897 -12.950 14.717 1.00 0.00 H new ATOM 0 HA ASP A 24 17.041 -12.708 17.460 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.543 -10.948 15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.376 -10.132 16.644 1.00 0.00 H new ATOM 338 N VAL A 25 14.457 -11.242 16.072 1.00 0.00 N ATOM 339 CA VAL A 25 13.192 -10.572 16.322 1.00 0.00 C ATOM 340 C VAL A 25 12.363 -11.405 17.301 1.00 0.00 C ATOM 341 O VAL A 25 12.032 -10.941 18.392 1.00 0.00 O ATOM 342 CB VAL A 25 12.469 -10.308 15.000 1.00 0.00 C ATOM 343 CG1 VAL A 25 11.104 -9.660 15.241 1.00 0.00 C ATOM 344 CG2 VAL A 25 13.327 -9.450 14.067 1.00 0.00 C ATOM 0 H VAL A 25 14.592 -11.553 15.110 1.00 0.00 H new ATOM 0 HA VAL A 25 13.360 -9.599 16.785 1.00 0.00 H new ATOM 0 HB VAL A 25 12.302 -11.268 14.512 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.611 -9.483 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.489 -10.323 15.849 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.238 -8.711 15.761 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.790 -9.277 13.135 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.540 -8.494 14.545 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.263 -9.967 13.856 1.00 0.00 H new ATOM 354 N LEU A 26 12.051 -12.621 16.877 1.00 0.00 N ATOM 355 CA LEU A 26 11.266 -13.523 17.703 1.00 0.00 C ATOM 356 C LEU A 26 11.878 -13.587 19.104 1.00 0.00 C ATOM 357 O LEU A 26 11.160 -13.532 20.101 1.00 0.00 O ATOM 358 CB LEU A 26 11.134 -14.889 17.027 1.00 0.00 C ATOM 359 CG LEU A 26 10.067 -14.997 15.935 1.00 0.00 C ATOM 360 CD1 LEU A 26 10.498 -15.977 14.842 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.707 -15.367 16.532 1.00 0.00 C ATOM 0 H LEU A 26 12.328 -13.003 15.972 1.00 0.00 H new ATOM 0 HA LEU A 26 10.249 -13.149 17.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.098 -15.152 16.592 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.917 -15.632 17.794 1.00 0.00 H new ATOM 0 HG LEU A 26 9.958 -14.019 15.466 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.722 -16.035 14.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.427 -15.631 14.389 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.652 -16.964 15.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.967 -15.437 15.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.783 -16.327 17.043 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.402 -14.600 17.244 1.00 0.00 H new ATOM 373 N LEU A 27 13.197 -13.702 19.134 1.00 0.00 N ATOM 374 CA LEU A 27 13.913 -13.773 20.396 1.00 0.00 C ATOM 375 C LEU A 27 13.572 -12.545 21.242 1.00 0.00 C ATOM 376 O LEU A 27 13.450 -12.641 22.462 1.00 0.00 O ATOM 377 CB LEU A 27 15.413 -13.955 20.152 1.00 0.00 C ATOM 378 CG LEU A 27 15.834 -15.284 19.522 1.00 0.00 C ATOM 379 CD1 LEU A 27 17.308 -15.255 19.113 1.00 0.00 C ATOM 380 CD2 LEU A 27 15.521 -16.456 20.455 1.00 0.00 C ATOM 0 H LEU A 27 13.789 -13.748 18.305 1.00 0.00 H new ATOM 0 HA LEU A 27 13.597 -14.648 20.964 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.757 -13.145 19.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.932 -13.847 21.105 1.00 0.00 H new ATOM 0 HG LEU A 27 15.251 -15.431 18.613 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.581 -16.212 18.668 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.468 -14.458 18.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.926 -15.074 19.992 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.830 -17.389 19.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.060 -16.328 21.394 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.450 -16.487 20.653 1.00 0.00 H new ATOM 392 N SER A 28 13.429 -11.418 20.559 1.00 0.00 N ATOM 393 CA SER A 28 13.104 -10.172 21.233 1.00 0.00 C ATOM 394 C SER A 28 11.700 -10.252 21.833 1.00 0.00 C ATOM 395 O SER A 28 11.458 -9.743 22.927 1.00 0.00 O ATOM 396 CB SER A 28 13.204 -8.985 20.272 1.00 0.00 C ATOM 397 OG SER A 28 13.225 -7.739 20.963 1.00 0.00 O ATOM 0 H SER A 28 13.532 -11.342 19.547 1.00 0.00 H new ATOM 0 HA SER A 28 13.826 -10.018 22.035 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.108 -9.081 19.670 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.359 -9.004 19.584 1.00 0.00 H new ATOM 0 HG SER A 28 13.291 -7.007 20.315 1.00 0.00 H new ATOM 403 N MET A 29 10.809 -10.895 21.092 1.00 0.00 N ATOM 404 CA MET A 29 9.435 -11.048 21.538 1.00 0.00 C ATOM 405 C MET A 29 9.364 -11.885 22.817 1.00 0.00 C ATOM 406 O MET A 29 8.387 -11.806 23.561 1.00 0.00 O ATOM 407 CB MET A 29 8.614 -11.725 20.439 1.00 0.00 C ATOM 408 CG MET A 29 8.098 -10.697 19.430 1.00 0.00 C ATOM 409 SD MET A 29 6.490 -11.187 18.828 1.00 0.00 S ATOM 410 CE MET A 29 6.724 -10.932 17.077 1.00 0.00 C ATOM 0 H MET A 29 11.012 -11.316 20.185 1.00 0.00 H new ATOM 0 HA MET A 29 9.029 -10.059 21.750 1.00 0.00 H new ATOM 0 HB2 MET A 29 9.227 -12.467 19.927 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.773 -12.258 20.884 1.00 0.00 H new ATOM 0 HG2 MET A 29 8.036 -9.715 19.898 1.00 0.00 H new ATOM 0 HG3 MET A 29 8.796 -10.610 18.598 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.808 -11.192 16.546 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.967 -9.886 16.891 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.540 -11.562 16.723 1.00 0.00 H new ATOM 420 N GLY A 30 10.411 -12.668 23.033 1.00 0.00 N ATOM 421 CA GLY A 30 10.479 -13.518 24.209 1.00 0.00 C ATOM 422 C GLY A 30 10.341 -14.994 23.828 1.00 0.00 C ATOM 423 O GLY A 30 9.837 -15.796 24.612 1.00 0.00 O ATOM 0 H GLY A 30 11.219 -12.731 22.413 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.427 -13.359 24.723 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.688 -13.243 24.907 1.00 0.00 H new ATOM 427 N PHE A 31 10.796 -15.306 22.623 1.00 0.00 N ATOM 428 CA PHE A 31 10.729 -16.670 22.128 1.00 0.00 C ATOM 429 C PHE A 31 12.120 -17.305 22.080 1.00 0.00 C ATOM 430 O PHE A 31 13.108 -16.625 21.804 1.00 0.00 O ATOM 431 CB PHE A 31 10.162 -16.603 20.709 1.00 0.00 C ATOM 432 CG PHE A 31 8.648 -16.393 20.652 1.00 0.00 C ATOM 433 CD1 PHE A 31 8.129 -15.144 20.798 1.00 0.00 C ATOM 434 CD2 PHE A 31 7.821 -17.455 20.457 1.00 0.00 C ATOM 435 CE1 PHE A 31 6.723 -14.949 20.746 1.00 0.00 C ATOM 436 CE2 PHE A 31 6.415 -17.259 20.405 1.00 0.00 C ATOM 437 CZ PHE A 31 5.896 -16.011 20.550 1.00 0.00 C ATOM 0 H PHE A 31 11.212 -14.637 21.975 1.00 0.00 H new ATOM 0 HA PHE A 31 10.106 -17.275 22.787 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.651 -15.791 20.171 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.410 -17.527 20.186 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.786 -14.301 20.953 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.233 -18.447 20.342 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.311 -13.958 20.862 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.758 -18.102 20.250 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.827 -15.863 20.510 1.00 0.00 H new ATOM 447 N PRO A 32 12.155 -18.635 22.360 1.00 0.00 N ATOM 448 CA PRO A 32 13.409 -19.369 22.351 1.00 0.00 C ATOM 449 C PRO A 32 13.886 -19.623 20.920 1.00 0.00 C ATOM 450 O PRO A 32 13.092 -19.983 20.052 1.00 0.00 O ATOM 451 CB PRO A 32 13.120 -20.650 23.117 1.00 0.00 C ATOM 452 CG PRO A 32 11.608 -20.800 23.124 1.00 0.00 C ATOM 453 CD PRO A 32 11.006 -19.473 22.691 1.00 0.00 C ATOM 0 HA PRO A 32 14.224 -18.816 22.819 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.595 -21.507 22.639 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.512 -20.594 24.133 1.00 0.00 H new ATOM 0 HG2 PRO A 32 11.300 -21.598 22.448 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.256 -21.072 24.119 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.347 -19.599 21.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 10.409 -19.030 23.488 1.00 0.00 H new ATOM 461 N ARG A 33 15.180 -19.425 20.717 1.00 0.00 N ATOM 462 CA ARG A 33 15.772 -19.628 19.406 1.00 0.00 C ATOM 463 C ARG A 33 15.153 -20.852 18.728 1.00 0.00 C ATOM 464 O ARG A 33 14.693 -20.770 17.590 1.00 0.00 O ATOM 465 CB ARG A 33 17.286 -19.822 19.509 1.00 0.00 C ATOM 466 CG ARG A 33 17.879 -20.235 18.161 1.00 0.00 C ATOM 467 CD ARG A 33 19.306 -19.707 18.004 1.00 0.00 C ATOM 468 NE ARG A 33 19.740 -19.829 16.594 1.00 0.00 N ATOM 469 CZ ARG A 33 20.931 -19.421 16.136 1.00 0.00 C ATOM 470 NH1 ARG A 33 21.814 -18.861 16.974 1.00 0.00 N ATOM 471 NH2 ARG A 33 21.238 -19.572 14.841 1.00 0.00 N ATOM 0 H ARG A 33 15.835 -19.126 21.439 1.00 0.00 H new ATOM 0 HA ARG A 33 15.571 -18.738 18.810 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.753 -18.897 19.847 1.00 0.00 H new ATOM 0 HB3 ARG A 33 17.509 -20.583 20.257 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.878 -21.322 18.077 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.255 -19.853 17.353 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.353 -18.664 18.318 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.982 -20.266 18.651 1.00 0.00 H new ATOM 0 HE ARG A 33 19.091 -20.250 15.929 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.579 -18.746 17.960 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.721 -18.550 16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.565 -19.998 14.204 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.145 -19.261 14.492 1.00 0.00 H new ATOM 485 N ALA A 34 15.162 -21.960 19.455 1.00 0.00 N ATOM 486 CA ALA A 34 14.607 -23.199 18.938 1.00 0.00 C ATOM 487 C ALA A 34 13.237 -22.919 18.316 1.00 0.00 C ATOM 488 O ALA A 34 13.033 -23.152 17.125 1.00 0.00 O ATOM 489 CB ALA A 34 14.536 -24.235 20.062 1.00 0.00 C ATOM 0 H ALA A 34 15.545 -22.025 20.398 1.00 0.00 H new ATOM 0 HA ALA A 34 15.246 -23.609 18.156 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.120 -25.165 19.674 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.538 -24.420 20.450 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.900 -23.859 20.864 1.00 0.00 H new ATOM 495 N ARG A 35 12.334 -22.423 19.149 1.00 0.00 N ATOM 496 CA ARG A 35 10.990 -22.109 18.695 1.00 0.00 C ATOM 497 C ARG A 35 11.042 -21.357 17.364 1.00 0.00 C ATOM 498 O ARG A 35 10.472 -21.806 16.371 1.00 0.00 O ATOM 499 CB ARG A 35 10.246 -21.259 19.726 1.00 0.00 C ATOM 500 CG ARG A 35 8.990 -21.976 20.225 1.00 0.00 C ATOM 501 CD ARG A 35 9.353 -23.252 20.986 1.00 0.00 C ATOM 502 NE ARG A 35 8.135 -23.858 21.570 1.00 0.00 N ATOM 503 CZ ARG A 35 8.109 -25.046 22.188 1.00 0.00 C ATOM 504 NH1 ARG A 35 9.234 -25.764 22.307 1.00 0.00 N ATOM 505 NH2 ARG A 35 6.958 -25.517 22.687 1.00 0.00 N ATOM 0 H ARG A 35 12.507 -22.231 20.136 1.00 0.00 H new ATOM 0 HA ARG A 35 10.455 -23.050 18.563 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.904 -21.043 20.568 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.971 -20.302 19.283 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.421 -21.311 20.874 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.348 -22.223 19.380 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.835 -23.961 20.314 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.069 -23.023 21.775 1.00 0.00 H new ATOM 0 HE ARG A 35 7.261 -23.338 21.497 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.110 -25.406 21.927 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.214 -26.669 22.778 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.101 -24.971 22.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.938 -26.422 23.158 1.00 0.00 H new ATOM 519 N ALA A 36 11.729 -20.224 17.388 1.00 0.00 N ATOM 520 CA ALA A 36 11.862 -19.405 16.195 1.00 0.00 C ATOM 521 C ALA A 36 12.468 -20.245 15.069 1.00 0.00 C ATOM 522 O ALA A 36 12.039 -20.151 13.920 1.00 0.00 O ATOM 523 CB ALA A 36 12.703 -18.168 16.517 1.00 0.00 C ATOM 0 H ALA A 36 12.199 -19.854 18.214 1.00 0.00 H new ATOM 0 HA ALA A 36 10.886 -19.057 15.857 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.803 -17.553 15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.215 -17.590 17.302 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.691 -18.478 16.857 1.00 0.00 H new ATOM 529 N GLN A 37 13.455 -21.048 15.438 1.00 0.00 N ATOM 530 CA GLN A 37 14.124 -21.905 14.474 1.00 0.00 C ATOM 531 C GLN A 37 13.118 -22.855 13.821 1.00 0.00 C ATOM 532 O GLN A 37 12.886 -22.787 12.615 1.00 0.00 O ATOM 533 CB GLN A 37 15.267 -22.681 15.130 1.00 0.00 C ATOM 534 CG GLN A 37 16.558 -21.860 15.131 1.00 0.00 C ATOM 535 CD GLN A 37 17.597 -22.471 14.188 1.00 0.00 C ATOM 536 OE1 GLN A 37 17.357 -22.679 13.010 1.00 0.00 O ATOM 537 NE2 GLN A 37 18.760 -22.746 14.770 1.00 0.00 N ATOM 0 H GLN A 37 13.808 -21.123 16.392 1.00 0.00 H new ATOM 0 HA GLN A 37 14.557 -21.276 13.696 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.995 -22.939 16.154 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.428 -23.618 14.597 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.342 -20.836 14.826 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.962 -21.813 16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.894 -22.546 15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.518 -23.157 14.225 1.00 0.00 H new ATOM 546 N LYS A 38 12.548 -23.720 14.647 1.00 0.00 N ATOM 547 CA LYS A 38 11.573 -24.684 14.166 1.00 0.00 C ATOM 548 C LYS A 38 10.605 -23.987 13.207 1.00 0.00 C ATOM 549 O LYS A 38 10.389 -24.455 12.090 1.00 0.00 O ATOM 550 CB LYS A 38 10.881 -25.379 15.340 1.00 0.00 C ATOM 551 CG LYS A 38 10.463 -26.802 14.966 1.00 0.00 C ATOM 552 CD LYS A 38 10.644 -27.756 16.149 1.00 0.00 C ATOM 553 CE LYS A 38 9.324 -27.965 16.892 1.00 0.00 C ATOM 554 NZ LYS A 38 9.471 -27.608 18.321 1.00 0.00 N ATOM 0 H LYS A 38 12.743 -23.773 15.647 1.00 0.00 H new ATOM 0 HA LYS A 38 12.066 -25.476 13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.553 -25.407 16.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.004 -24.806 15.641 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.421 -26.807 14.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.057 -27.149 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.021 -28.715 15.793 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.391 -27.354 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.543 -27.355 16.437 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.010 -29.005 16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.565 -27.756 18.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.201 -28.208 18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.750 -26.609 18.402 1.00 0.00 H new ATOM 568 N ALA A 39 10.049 -22.881 13.678 1.00 0.00 N ATOM 569 CA ALA A 39 9.109 -22.116 12.876 1.00 0.00 C ATOM 570 C ALA A 39 9.794 -21.671 11.582 1.00 0.00 C ATOM 571 O ALA A 39 9.389 -22.073 10.492 1.00 0.00 O ATOM 572 CB ALA A 39 8.584 -20.934 13.694 1.00 0.00 C ATOM 0 H ALA A 39 10.231 -22.496 14.605 1.00 0.00 H new ATOM 0 HA ALA A 39 8.251 -22.729 12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.879 -20.360 13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.081 -21.304 14.587 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.417 -20.294 13.985 1.00 0.00 H new ATOM 578 N LEU A 40 10.819 -20.848 11.745 1.00 0.00 N ATOM 579 CA LEU A 40 11.563 -20.344 10.603 1.00 0.00 C ATOM 580 C LEU A 40 11.757 -21.473 9.588 1.00 0.00 C ATOM 581 O LEU A 40 11.268 -21.390 8.462 1.00 0.00 O ATOM 582 CB LEU A 40 12.872 -19.697 11.060 1.00 0.00 C ATOM 583 CG LEU A 40 12.753 -18.295 11.661 1.00 0.00 C ATOM 584 CD1 LEU A 40 13.833 -18.058 12.718 1.00 0.00 C ATOM 585 CD2 LEU A 40 12.777 -17.226 10.567 1.00 0.00 C ATOM 0 H LEU A 40 11.152 -20.517 12.651 1.00 0.00 H new ATOM 0 HA LEU A 40 11.002 -19.556 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.338 -20.349 11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.548 -19.649 10.206 1.00 0.00 H new ATOM 0 HG LEU A 40 11.789 -18.220 12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.726 -17.054 13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.726 -18.791 13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.818 -18.160 12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.691 -16.239 11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.715 -17.291 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.942 -17.385 9.884 1.00 0.00 H new ATOM 597 N ALA A 41 12.470 -22.501 10.023 1.00 0.00 N ATOM 598 CA ALA A 41 12.735 -23.644 9.167 1.00 0.00 C ATOM 599 C ALA A 41 11.459 -24.011 8.405 1.00 0.00 C ATOM 600 O ALA A 41 11.436 -23.980 7.176 1.00 0.00 O ATOM 601 CB ALA A 41 13.263 -24.805 10.013 1.00 0.00 C ATOM 0 H ALA A 41 12.873 -22.566 10.958 1.00 0.00 H new ATOM 0 HA ALA A 41 13.502 -23.403 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.462 -25.663 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.185 -24.503 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.519 -25.077 10.762 1.00 0.00 H new ATOM 607 N SER A 42 10.430 -24.349 9.167 1.00 0.00 N ATOM 608 CA SER A 42 9.154 -24.722 8.579 1.00 0.00 C ATOM 609 C SER A 42 8.781 -23.735 7.471 1.00 0.00 C ATOM 610 O SER A 42 8.553 -24.134 6.330 1.00 0.00 O ATOM 611 CB SER A 42 8.053 -24.771 9.640 1.00 0.00 C ATOM 612 OG SER A 42 8.110 -25.966 10.414 1.00 0.00 O ATOM 0 H SER A 42 10.453 -24.373 10.186 1.00 0.00 H new ATOM 0 HA SER A 42 9.252 -25.719 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.146 -23.908 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.079 -24.699 9.156 1.00 0.00 H new ATOM 0 HG SER A 42 7.411 -25.945 11.101 1.00 0.00 H new ATOM 618 N THR A 43 8.730 -22.465 7.846 1.00 0.00 N ATOM 619 CA THR A 43 8.388 -21.418 6.899 1.00 0.00 C ATOM 620 C THR A 43 9.652 -20.857 6.244 1.00 0.00 C ATOM 621 O THR A 43 9.715 -19.673 5.920 1.00 0.00 O ATOM 622 CB THR A 43 7.567 -20.360 7.639 1.00 0.00 C ATOM 623 OG1 THR A 43 8.535 -19.630 8.387 1.00 0.00 O ATOM 624 CG2 THR A 43 6.653 -20.968 8.704 1.00 0.00 C ATOM 0 H THR A 43 8.920 -22.138 8.793 1.00 0.00 H new ATOM 0 HA THR A 43 7.782 -21.808 6.081 1.00 0.00 H new ATOM 0 HB THR A 43 6.966 -19.800 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.234 -18.704 8.496 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.093 -20.175 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.958 -21.663 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.256 -21.500 9.440 1.00 0.00 H new ATOM 632 N GLY A 44 10.629 -21.736 6.070 1.00 0.00 N ATOM 633 CA GLY A 44 11.888 -21.343 5.460 1.00 0.00 C ATOM 634 C GLY A 44 12.652 -20.368 6.357 1.00 0.00 C ATOM 635 O GLY A 44 13.487 -20.781 7.160 1.00 0.00 O ATOM 0 H GLY A 44 10.574 -22.718 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.498 -22.227 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.698 -20.879 4.492 1.00 0.00 H new ATOM 639 N GLY A 45 12.338 -19.091 6.191 1.00 0.00 N ATOM 640 CA GLY A 45 12.984 -18.054 6.977 1.00 0.00 C ATOM 641 C GLY A 45 12.971 -16.716 6.235 1.00 0.00 C ATOM 642 O GLY A 45 14.019 -16.109 6.022 1.00 0.00 O ATOM 0 H GLY A 45 11.645 -18.752 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.474 -17.948 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.012 -18.344 7.193 1.00 0.00 H new ATOM 646 N ARG A 46 11.771 -16.295 5.861 1.00 0.00 N ATOM 647 CA ARG A 46 11.607 -15.040 5.147 1.00 0.00 C ATOM 648 C ARG A 46 10.949 -13.997 6.052 1.00 0.00 C ATOM 649 O ARG A 46 11.506 -12.924 6.277 1.00 0.00 O ATOM 650 CB ARG A 46 10.753 -15.228 3.892 1.00 0.00 C ATOM 651 CG ARG A 46 11.607 -15.698 2.713 1.00 0.00 C ATOM 652 CD ARG A 46 10.728 -16.174 1.554 1.00 0.00 C ATOM 653 NE ARG A 46 9.956 -15.037 1.004 1.00 0.00 N ATOM 654 CZ ARG A 46 9.458 -15.000 -0.239 1.00 0.00 C ATOM 655 NH1 ARG A 46 9.646 -16.036 -1.068 1.00 0.00 N ATOM 656 NH2 ARG A 46 8.770 -13.927 -0.653 1.00 0.00 N ATOM 0 H ARG A 46 10.903 -16.801 6.039 1.00 0.00 H new ATOM 0 HA ARG A 46 12.598 -14.695 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.966 -15.956 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.262 -14.289 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.249 -14.884 2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.262 -16.508 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.348 -16.615 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.048 -16.953 1.899 1.00 0.00 H new ATOM 0 HE ARG A 46 9.793 -14.232 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.169 -16.853 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.267 -16.007 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.626 -13.139 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.391 -13.898 -1.599 1.00 0.00 H new ATOM 670 N SER A 47 9.771 -14.349 6.548 1.00 0.00 N ATOM 671 CA SER A 47 9.031 -13.456 7.424 1.00 0.00 C ATOM 672 C SER A 47 8.794 -14.129 8.777 1.00 0.00 C ATOM 673 O SER A 47 8.682 -15.351 8.856 1.00 0.00 O ATOM 674 CB SER A 47 7.698 -13.047 6.794 1.00 0.00 C ATOM 675 OG SER A 47 7.876 -12.424 5.524 1.00 0.00 O ATOM 0 H SER A 47 9.311 -15.240 6.360 1.00 0.00 H new ATOM 0 HA SER A 47 9.624 -12.554 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.066 -13.927 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.175 -12.363 7.463 1.00 0.00 H new ATOM 0 HG SER A 47 7.002 -12.179 5.154 1.00 0.00 H new ATOM 681 N VAL A 48 8.725 -13.301 9.809 1.00 0.00 N ATOM 682 CA VAL A 48 8.504 -13.800 11.156 1.00 0.00 C ATOM 683 C VAL A 48 7.000 -13.944 11.401 1.00 0.00 C ATOM 684 O VAL A 48 6.576 -14.762 12.216 1.00 0.00 O ATOM 685 CB VAL A 48 9.190 -12.886 12.173 1.00 0.00 C ATOM 686 CG1 VAL A 48 10.706 -13.093 12.161 1.00 0.00 C ATOM 687 CG2 VAL A 48 8.835 -11.420 11.919 1.00 0.00 C ATOM 0 H VAL A 48 8.818 -12.288 9.740 1.00 0.00 H new ATOM 0 HA VAL A 48 8.950 -14.788 11.275 1.00 0.00 H new ATOM 0 HB VAL A 48 8.823 -13.153 13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.169 -12.431 12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.934 -14.129 12.413 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.096 -12.867 11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.335 -10.792 12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.160 -11.135 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.756 -11.287 12.002 1.00 0.00 H new ATOM 697 N GLN A 49 6.236 -13.138 10.680 1.00 0.00 N ATOM 698 CA GLN A 49 4.789 -13.165 10.808 1.00 0.00 C ATOM 699 C GLN A 49 4.248 -14.544 10.425 1.00 0.00 C ATOM 700 O GLN A 49 3.405 -15.101 11.127 1.00 0.00 O ATOM 701 CB GLN A 49 4.142 -12.067 9.961 1.00 0.00 C ATOM 702 CG GLN A 49 3.088 -11.304 10.765 1.00 0.00 C ATOM 703 CD GLN A 49 3.731 -10.190 11.594 1.00 0.00 C ATOM 704 OE1 GLN A 49 4.929 -10.163 11.822 1.00 0.00 O ATOM 705 NE2 GLN A 49 2.870 -9.274 12.029 1.00 0.00 N ATOM 0 H GLN A 49 6.592 -12.462 10.005 1.00 0.00 H new ATOM 0 HA GLN A 49 4.533 -12.972 11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.908 -11.375 9.610 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.681 -12.508 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.348 -10.877 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.559 -11.993 11.423 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.879 -9.357 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.201 -8.489 12.590 1.00 0.00 H new ATOM 714 N THR A 50 4.754 -15.054 9.312 1.00 0.00 N ATOM 715 CA THR A 50 4.332 -16.357 8.827 1.00 0.00 C ATOM 716 C THR A 50 4.707 -17.448 9.832 1.00 0.00 C ATOM 717 O THR A 50 3.889 -18.308 10.154 1.00 0.00 O ATOM 718 CB THR A 50 4.949 -16.569 7.443 1.00 0.00 C ATOM 719 OG1 THR A 50 4.091 -15.844 6.565 1.00 0.00 O ATOM 720 CG2 THR A 50 4.833 -18.018 6.965 1.00 0.00 C ATOM 0 H THR A 50 5.452 -14.589 8.732 1.00 0.00 H new ATOM 0 HA THR A 50 3.248 -16.409 8.728 1.00 0.00 H new ATOM 0 HB THR A 50 5.999 -16.278 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.419 -15.926 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.286 -18.113 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.348 -18.675 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.782 -18.300 6.910 1.00 0.00 H new ATOM 728 N ALA A 51 5.944 -17.376 10.301 1.00 0.00 N ATOM 729 CA ALA A 51 6.437 -18.347 11.263 1.00 0.00 C ATOM 730 C ALA A 51 5.571 -18.294 12.523 1.00 0.00 C ATOM 731 O ALA A 51 5.221 -19.332 13.084 1.00 0.00 O ATOM 732 CB ALA A 51 7.912 -18.069 11.558 1.00 0.00 C ATOM 0 H ALA A 51 6.620 -16.660 10.033 1.00 0.00 H new ATOM 0 HA ALA A 51 6.370 -19.357 10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.282 -18.797 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.488 -18.146 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.018 -17.065 11.969 1.00 0.00 H new ATOM 738 N CYS A 52 5.249 -17.076 12.931 1.00 0.00 N ATOM 739 CA CYS A 52 4.431 -16.874 14.115 1.00 0.00 C ATOM 740 C CYS A 52 3.182 -17.750 13.990 1.00 0.00 C ATOM 741 O CYS A 52 2.917 -18.586 14.852 1.00 0.00 O ATOM 742 CB CYS A 52 4.076 -15.399 14.313 1.00 0.00 C ATOM 743 SG CYS A 52 5.160 -14.661 15.589 1.00 0.00 S ATOM 0 H CYS A 52 5.540 -16.218 12.463 1.00 0.00 H new ATOM 0 HA CYS A 52 4.992 -17.166 15.002 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.188 -14.860 13.372 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.032 -15.305 14.612 1.00 0.00 H new ATOM 0 HG CYS A 52 4.852 -13.408 15.748 1.00 0.00 H new ATOM 749 N ASP A 53 2.448 -17.527 12.909 1.00 0.00 N ATOM 750 CA ASP A 53 1.234 -18.285 12.660 1.00 0.00 C ATOM 751 C ASP A 53 1.518 -19.775 12.859 1.00 0.00 C ATOM 752 O ASP A 53 0.761 -20.470 13.535 1.00 0.00 O ATOM 753 CB ASP A 53 0.744 -18.085 11.224 1.00 0.00 C ATOM 754 CG ASP A 53 -0.697 -18.527 10.965 1.00 0.00 C ATOM 755 OD1 ASP A 53 -0.893 -19.749 10.787 1.00 0.00 O ATOM 756 OD2 ASP A 53 -1.571 -17.633 10.952 1.00 0.00 O ATOM 0 H ASP A 53 2.671 -16.832 12.196 1.00 0.00 H new ATOM 0 HA ASP A 53 0.470 -17.935 13.354 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.836 -17.029 10.969 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.403 -18.634 10.551 1.00 0.00 H new ATOM 761 N TRP A 54 2.612 -20.222 12.259 1.00 0.00 N ATOM 762 CA TRP A 54 3.005 -21.617 12.363 1.00 0.00 C ATOM 763 C TRP A 54 3.142 -21.961 13.847 1.00 0.00 C ATOM 764 O TRP A 54 2.500 -22.890 14.334 1.00 0.00 O ATOM 765 CB TRP A 54 4.284 -21.886 11.566 1.00 0.00 C ATOM 766 CG TRP A 54 4.703 -23.357 11.541 1.00 0.00 C ATOM 767 CD1 TRP A 54 4.462 -24.267 10.587 1.00 0.00 C ATOM 768 CD2 TRP A 54 5.450 -24.056 12.558 1.00 0.00 C ATOM 769 NE1 TRP A 54 4.998 -25.496 10.914 1.00 0.00 N ATOM 770 CE2 TRP A 54 5.618 -25.364 12.151 1.00 0.00 C ATOM 771 CE3 TRP A 54 5.968 -23.598 13.783 1.00 0.00 C ATOM 772 CZ2 TRP A 54 6.303 -26.321 12.908 1.00 0.00 C ATOM 773 CZ3 TRP A 54 6.650 -24.567 14.528 1.00 0.00 C ATOM 774 CH2 TRP A 54 6.827 -25.888 14.132 1.00 0.00 C ATOM 0 H TRP A 54 3.238 -19.643 11.700 1.00 0.00 H new ATOM 0 HA TRP A 54 2.246 -22.265 11.925 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.141 -21.542 10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.095 -21.295 11.990 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.917 -24.064 9.677 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.948 -26.345 10.351 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.849 -22.579 14.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.421 -27.339 12.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.068 -24.267 15.478 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.366 -26.577 14.766 1.00 0.00 H new ATOM 785 N LEU A 55 3.983 -21.193 14.525 1.00 0.00 N ATOM 786 CA LEU A 55 4.212 -21.405 15.944 1.00 0.00 C ATOM 787 C LEU A 55 2.875 -21.671 16.638 1.00 0.00 C ATOM 788 O LEU A 55 2.640 -22.769 17.142 1.00 0.00 O ATOM 789 CB LEU A 55 4.992 -20.232 16.542 1.00 0.00 C ATOM 790 CG LEU A 55 6.517 -20.354 16.507 1.00 0.00 C ATOM 791 CD1 LEU A 55 7.167 -19.008 16.180 1.00 0.00 C ATOM 792 CD2 LEU A 55 7.049 -20.945 17.814 1.00 0.00 C ATOM 0 H LEU A 55 4.514 -20.423 14.118 1.00 0.00 H new ATOM 0 HA LEU A 55 4.834 -22.286 16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.708 -19.324 16.011 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.681 -20.105 17.579 1.00 0.00 H new ATOM 0 HG LEU A 55 6.787 -21.044 15.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.251 -19.122 16.161 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.821 -18.664 15.205 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.892 -18.277 16.940 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.135 -21.021 17.763 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.769 -20.299 18.646 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.622 -21.937 17.965 1.00 0.00 H new ATOM 804 N PHE A 56 2.032 -20.649 16.642 1.00 0.00 N ATOM 805 CA PHE A 56 0.724 -20.759 17.265 1.00 0.00 C ATOM 806 C PHE A 56 -0.069 -21.926 16.674 1.00 0.00 C ATOM 807 O PHE A 56 -0.532 -22.800 17.405 1.00 0.00 O ATOM 808 CB PHE A 56 -0.020 -19.454 16.977 1.00 0.00 C ATOM 809 CG PHE A 56 0.765 -18.194 17.349 1.00 0.00 C ATOM 810 CD1 PHE A 56 1.376 -18.107 18.561 1.00 0.00 C ATOM 811 CD2 PHE A 56 0.851 -17.161 16.468 1.00 0.00 C ATOM 812 CE1 PHE A 56 2.105 -16.938 18.907 1.00 0.00 C ATOM 813 CE2 PHE A 56 1.580 -15.993 16.814 1.00 0.00 C ATOM 814 CZ PHE A 56 2.191 -15.906 18.026 1.00 0.00 C ATOM 0 H PHE A 56 2.230 -19.740 16.223 1.00 0.00 H new ATOM 0 HA PHE A 56 0.835 -20.936 18.335 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.267 -19.415 15.916 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.963 -19.457 17.524 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.307 -18.927 19.261 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.365 -17.229 15.506 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.591 -16.869 19.869 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.649 -15.173 16.114 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.745 -15.017 18.289 1.00 0.00 H new