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 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 177:sc= 1.06 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.0186 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= -0.0227 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 35.157 27.274 -11.424 1.00 0.00 N ATOM 298 CA ALA A 22 35.085 25.915 -11.932 1.00 0.00 C ATOM 299 C ALA A 22 35.299 24.932 -10.779 1.00 0.00 C ATOM 300 O ALA A 22 34.679 23.870 -10.740 1.00 0.00 O ATOM 301 CB ALA A 22 36.113 25.733 -13.051 1.00 0.00 C ATOM 0 HA ALA A 22 34.101 25.716 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.059 24.713 -13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.900 26.434 -13.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.113 25.922 -12.661 1.00 0.00 H new ATOM 307 N LEU A 23 36.178 25.321 -9.867 1.00 0.00 N ATOM 308 CA LEU A 23 36.481 24.488 -8.716 1.00 0.00 C ATOM 309 C LEU A 23 35.324 24.566 -7.717 1.00 0.00 C ATOM 310 O LEU A 23 34.840 23.540 -7.242 1.00 0.00 O ATOM 311 CB LEU A 23 37.836 24.872 -8.118 1.00 0.00 C ATOM 312 CG LEU A 23 38.044 24.516 -6.645 1.00 0.00 C ATOM 313 CD1 LEU A 23 37.810 23.024 -6.403 1.00 0.00 C ATOM 314 CD2 LEU A 23 39.425 24.966 -6.162 1.00 0.00 C ATOM 0 H LEU A 23 36.690 26.202 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 23 36.575 23.444 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 23 38.619 24.388 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 37.970 25.947 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 23 37.304 25.057 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 37.964 22.798 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 23 36.789 22.766 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.510 22.444 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 39.547 24.701 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 40.196 24.472 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 23 39.516 26.046 -6.277 1.00 0.00 H new ATOM 326 N ASP A 24 34.915 25.792 -7.428 1.00 0.00 N ATOM 327 CA ASP A 24 33.825 26.017 -6.495 1.00 0.00 C ATOM 328 C ASP A 24 32.577 25.280 -6.987 1.00 0.00 C ATOM 329 O ASP A 24 31.705 24.931 -6.194 1.00 0.00 O ATOM 330 CB ASP A 24 33.485 27.505 -6.392 1.00 0.00 C ATOM 331 CG ASP A 24 33.755 28.137 -5.025 1.00 0.00 C ATOM 332 OD1 ASP A 24 33.071 27.724 -4.064 1.00 0.00 O ATOM 333 OD2 ASP A 24 34.639 29.019 -4.972 1.00 0.00 O ATOM 0 H ASP A 24 35.319 26.641 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 24 34.138 25.650 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 24 34.058 28.046 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.431 27.639 -6.636 1.00 0.00 H new ATOM 338 N VAL A 25 32.533 25.066 -8.294 1.00 0.00 N ATOM 339 CA VAL A 25 31.407 24.378 -8.902 1.00 0.00 C ATOM 340 C VAL A 25 31.426 22.907 -8.480 1.00 0.00 C ATOM 341 O VAL A 25 30.460 22.410 -7.904 1.00 0.00 O ATOM 342 CB VAL A 25 31.437 24.565 -10.420 1.00 0.00 C ATOM 343 CG1 VAL A 25 30.446 23.624 -11.108 1.00 0.00 C ATOM 344 CG2 VAL A 25 31.163 26.022 -10.798 1.00 0.00 C ATOM 0 H VAL A 25 33.259 25.357 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 25 30.466 24.804 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 25 32.438 24.311 -10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 25 30.487 23.777 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 25 30.706 22.591 -10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 25 29.438 23.833 -10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.190 26.128 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.180 26.315 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.924 26.663 -10.352 1.00 0.00 H new ATOM 354 N LEU A 26 32.538 22.252 -8.784 1.00 0.00 N ATOM 355 CA LEU A 26 32.696 20.848 -8.443 1.00 0.00 C ATOM 356 C LEU A 26 32.381 20.649 -6.959 1.00 0.00 C ATOM 357 O LEU A 26 31.779 19.647 -6.578 1.00 0.00 O ATOM 358 CB LEU A 26 34.084 20.351 -8.850 1.00 0.00 C ATOM 359 CG LEU A 26 34.293 20.092 -10.344 1.00 0.00 C ATOM 360 CD1 LEU A 26 35.697 20.514 -10.782 1.00 0.00 C ATOM 361 CD2 LEU A 26 33.997 18.633 -10.694 1.00 0.00 C ATOM 0 H LEU A 26 33.337 22.668 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 26 31.988 20.238 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 34.821 21.084 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 34.290 19.427 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 26 33.584 20.706 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 35.820 20.319 -11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 35.834 21.578 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 26 36.439 19.945 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 34.153 18.476 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 26 34.664 17.981 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 32.963 18.401 -10.441 1.00 0.00 H new ATOM 373 N LEU A 27 32.804 21.620 -6.162 1.00 0.00 N ATOM 374 CA LEU A 27 32.576 21.563 -4.729 1.00 0.00 C ATOM 375 C LEU A 27 31.072 21.470 -4.460 1.00 0.00 C ATOM 376 O LEU A 27 30.642 20.741 -3.567 1.00 0.00 O ATOM 377 CB LEU A 27 33.253 22.745 -4.031 1.00 0.00 C ATOM 378 CG LEU A 27 34.780 22.789 -4.117 1.00 0.00 C ATOM 379 CD1 LEU A 27 35.331 24.049 -3.448 1.00 0.00 C ATOM 380 CD2 LEU A 27 35.399 21.515 -3.538 1.00 0.00 C ATOM 0 H LEU A 27 33.303 22.450 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 27 33.033 20.668 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.858 23.668 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.968 22.732 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 27 35.061 22.834 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 36.418 24.055 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 34.928 24.931 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 27 35.040 24.060 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.485 21.572 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 35.111 21.414 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 27 35.043 20.650 -4.098 1.00 0.00 H new ATOM 392 N SER A 28 30.315 22.219 -5.247 1.00 0.00 N ATOM 393 CA SER A 28 28.869 22.230 -5.105 1.00 0.00 C ATOM 394 C SER A 28 28.295 20.866 -5.492 1.00 0.00 C ATOM 395 O SER A 28 27.319 20.409 -4.900 1.00 0.00 O ATOM 396 CB SER A 28 28.240 23.333 -5.960 1.00 0.00 C ATOM 397 OG SER A 28 27.316 24.123 -5.216 1.00 0.00 O ATOM 0 H SER A 28 30.676 22.823 -5.986 1.00 0.00 H new ATOM 0 HA SER A 28 28.629 22.435 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.025 23.974 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.730 22.885 -6.812 1.00 0.00 H new ATOM 0 HG SER A 28 26.938 24.817 -5.796 1.00 0.00 H new ATOM 403 N MET A 29 28.925 20.254 -6.484 1.00 0.00 N ATOM 404 CA MET A 29 28.489 18.951 -6.957 1.00 0.00 C ATOM 405 C MET A 29 28.655 17.889 -5.869 1.00 0.00 C ATOM 406 O MET A 29 27.950 16.881 -5.867 1.00 0.00 O ATOM 407 CB MET A 29 29.307 18.555 -8.188 1.00 0.00 C ATOM 408 CG MET A 29 28.825 19.304 -9.432 1.00 0.00 C ATOM 409 SD MET A 29 28.793 18.200 -10.834 1.00 0.00 S ATOM 410 CE MET A 29 29.230 19.341 -12.136 1.00 0.00 C ATOM 0 H MET A 29 29.734 20.636 -6.973 1.00 0.00 H new ATOM 0 HA MET A 29 27.432 19.014 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 29 30.361 18.773 -8.014 1.00 0.00 H new ATOM 0 HB3 MET A 29 29.226 17.480 -8.352 1.00 0.00 H new ATOM 0 HG2 MET A 29 27.830 19.713 -9.258 1.00 0.00 H new ATOM 0 HG3 MET A 29 29.485 20.147 -9.637 1.00 0.00 H new ATOM 0 HE1 MET A 29 29.256 18.813 -13.089 1.00 0.00 H new ATOM 0 HE2 MET A 29 28.490 20.139 -12.184 1.00 0.00 H new ATOM 0 HE3 MET A 29 30.212 19.768 -11.931 1.00 0.00 H new ATOM 420 N GLY A 30 29.592 18.151 -4.969 1.00 0.00 N ATOM 421 CA GLY A 30 29.860 17.230 -3.878 1.00 0.00 C ATOM 422 C GLY A 30 31.261 16.628 -4.000 1.00 0.00 C ATOM 423 O GLY A 30 31.512 15.526 -3.515 1.00 0.00 O ATOM 0 H GLY A 30 30.175 18.988 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 30 29.766 17.752 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 29.116 16.433 -3.879 1.00 0.00 H new ATOM 427 N PHE A 31 32.138 17.379 -4.649 1.00 0.00 N ATOM 428 CA PHE A 31 33.508 16.934 -4.841 1.00 0.00 C ATOM 429 C PHE A 31 34.473 17.738 -3.967 1.00 0.00 C ATOM 430 O PHE A 31 34.267 18.929 -3.741 1.00 0.00 O ATOM 431 CB PHE A 31 33.854 17.171 -6.312 1.00 0.00 C ATOM 432 CG PHE A 31 33.191 16.182 -7.274 1.00 0.00 C ATOM 433 CD1 PHE A 31 31.881 16.331 -7.606 1.00 0.00 C ATOM 434 CD2 PHE A 31 33.913 15.154 -7.796 1.00 0.00 C ATOM 435 CE1 PHE A 31 31.266 15.414 -8.498 1.00 0.00 C ATOM 436 CE2 PHE A 31 33.298 14.237 -8.689 1.00 0.00 C ATOM 437 CZ PHE A 31 31.987 14.386 -9.021 1.00 0.00 C ATOM 0 H PHE A 31 31.927 18.293 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 31 33.599 15.883 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 31 33.557 18.183 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 31 34.935 17.112 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 31 31.308 17.147 -7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 31 34.953 15.035 -7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.225 15.533 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 31 33.871 13.421 -9.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 31.519 13.688 -9.700 1.00 0.00 H new ATOM 447 N PRO A 32 35.534 17.036 -3.487 1.00 0.00 N ATOM 448 CA PRO A 32 36.532 17.671 -2.643 1.00 0.00 C ATOM 449 C PRO A 32 37.456 18.570 -3.467 1.00 0.00 C ATOM 450 O PRO A 32 37.814 18.230 -4.594 1.00 0.00 O ATOM 451 CB PRO A 32 37.266 16.523 -1.969 1.00 0.00 C ATOM 452 CG PRO A 32 36.968 15.290 -2.806 1.00 0.00 C ATOM 453 CD PRO A 32 35.811 15.624 -3.733 1.00 0.00 C ATOM 0 HA PRO A 32 36.092 18.336 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 32 38.338 16.716 -1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 32 36.925 16.390 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 32 37.846 14.998 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 32 36.712 14.446 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 32 36.076 15.448 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 32 34.939 15.006 -3.517 1.00 0.00 H new ATOM 461 N ARG A 33 37.815 19.698 -2.873 1.00 0.00 N ATOM 462 CA ARG A 33 38.691 20.648 -3.539 1.00 0.00 C ATOM 463 C ARG A 33 39.885 19.923 -4.161 1.00 0.00 C ATOM 464 O ARG A 33 40.247 20.186 -5.307 1.00 0.00 O ATOM 465 CB ARG A 33 39.200 21.707 -2.559 1.00 0.00 C ATOM 466 CG ARG A 33 39.709 22.943 -3.304 1.00 0.00 C ATOM 467 CD ARG A 33 40.376 23.928 -2.341 1.00 0.00 C ATOM 468 NE ARG A 33 39.353 24.794 -1.714 1.00 0.00 N ATOM 469 CZ ARG A 33 38.888 25.925 -2.263 1.00 0.00 C ATOM 470 NH1 ARG A 33 39.352 26.333 -3.452 1.00 0.00 N ATOM 471 NH2 ARG A 33 37.960 26.649 -1.622 1.00 0.00 N ATOM 0 H ARG A 33 37.516 19.976 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 33 38.113 21.140 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 33 38.398 21.993 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 33 40.002 21.289 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.421 22.641 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 33 38.879 23.432 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.924 23.383 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 33 41.102 24.539 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 33 38.978 24.513 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.059 25.783 -3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 33 38.998 27.194 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.608 26.339 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.606 27.510 -2.040 1.00 0.00 H new ATOM 485 N ALA A 34 40.465 19.024 -3.379 1.00 0.00 N ATOM 486 CA ALA A 34 41.611 18.259 -3.840 1.00 0.00 C ATOM 487 C ALA A 34 41.266 17.580 -5.167 1.00 0.00 C ATOM 488 O ALA A 34 41.841 17.907 -6.204 1.00 0.00 O ATOM 489 CB ALA A 34 42.021 17.255 -2.761 1.00 0.00 C ATOM 0 H ALA A 34 40.163 18.808 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 34 42.464 18.914 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.881 16.681 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 34 42.284 17.789 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.190 16.579 -2.559 1.00 0.00 H new ATOM 495 N ARG A 35 40.328 16.647 -5.092 1.00 0.00 N ATOM 496 CA ARG A 35 39.899 15.920 -6.274 1.00 0.00 C ATOM 497 C ARG A 35 39.782 16.869 -7.468 1.00 0.00 C ATOM 498 O ARG A 35 40.393 16.640 -8.511 1.00 0.00 O ATOM 499 CB ARG A 35 38.551 15.235 -6.041 1.00 0.00 C ATOM 500 CG ARG A 35 38.743 13.817 -5.500 1.00 0.00 C ATOM 501 CD ARG A 35 38.741 12.792 -6.635 1.00 0.00 C ATOM 502 NE ARG A 35 39.613 11.648 -6.286 1.00 0.00 N ATOM 503 CZ ARG A 35 40.935 11.618 -6.503 1.00 0.00 C ATOM 504 NH1 ARG A 35 41.545 12.667 -7.070 1.00 0.00 N ATOM 505 NH2 ARG A 35 41.647 10.537 -6.154 1.00 0.00 N ATOM 0 H ARG A 35 39.853 16.378 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 35 40.649 15.158 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.959 15.820 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 35 37.991 15.199 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.684 13.757 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 35 37.947 13.583 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.725 12.443 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.090 13.257 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 35 39.181 10.832 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 41.003 13.489 -7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 35 42.551 12.644 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 35 41.182 9.738 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 35 42.653 10.514 -6.319 1.00 0.00 H new ATOM 519 N ALA A 36 38.992 17.916 -7.276 1.00 0.00 N ATOM 520 CA ALA A 36 38.786 18.901 -8.324 1.00 0.00 C ATOM 521 C ALA A 36 40.134 19.510 -8.716 1.00 0.00 C ATOM 522 O ALA A 36 40.439 19.640 -9.900 1.00 0.00 O ATOM 523 CB ALA A 36 37.787 19.955 -7.844 1.00 0.00 C ATOM 0 H ALA A 36 38.487 18.103 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 36 38.364 18.434 -9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.632 20.694 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 36.838 19.475 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.178 20.448 -6.954 1.00 0.00 H new ATOM 529 N GLN A 37 40.904 19.869 -7.699 1.00 0.00 N ATOM 530 CA GLN A 37 42.211 20.462 -7.922 1.00 0.00 C ATOM 531 C GLN A 37 43.054 19.562 -8.828 1.00 0.00 C ATOM 532 O GLN A 37 43.424 19.958 -9.932 1.00 0.00 O ATOM 533 CB GLN A 37 42.926 20.729 -6.596 1.00 0.00 C ATOM 534 CG GLN A 37 42.601 22.128 -6.070 1.00 0.00 C ATOM 535 CD GLN A 37 43.836 23.030 -6.112 1.00 0.00 C ATOM 536 OE1 GLN A 37 44.264 23.493 -7.157 1.00 0.00 O ATOM 537 NE2 GLN A 37 44.384 23.253 -4.921 1.00 0.00 N ATOM 0 H GLN A 37 40.647 19.760 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 37 42.073 21.421 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 37 42.627 19.982 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 44.003 20.629 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 41.804 22.569 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 37 42.231 22.059 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 37 43.975 22.835 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 37 45.213 23.842 -4.843 1.00 0.00 H new ATOM 546 N LYS A 38 43.334 18.367 -8.328 1.00 0.00 N ATOM 547 CA LYS A 38 44.126 17.408 -9.078 1.00 0.00 C ATOM 548 C LYS A 38 43.652 17.388 -10.533 1.00 0.00 C ATOM 549 O LYS A 38 44.440 17.615 -11.449 1.00 0.00 O ATOM 550 CB LYS A 38 44.090 16.037 -8.401 1.00 0.00 C ATOM 551 CG LYS A 38 45.313 15.202 -8.786 1.00 0.00 C ATOM 552 CD LYS A 38 45.829 14.401 -7.589 1.00 0.00 C ATOM 553 CE LYS A 38 47.329 14.622 -7.386 1.00 0.00 C ATOM 554 NZ LYS A 38 47.577 15.367 -6.131 1.00 0.00 N ATOM 0 H LYS A 38 43.026 18.041 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 38 45.175 17.705 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 44.057 16.163 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 38 43.180 15.510 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 45.053 14.523 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 46.102 15.856 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 38 45.289 14.697 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 38 45.632 13.340 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 38 47.843 13.661 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 38 47.739 15.175 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 48.600 15.509 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 47.102 16.291 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 47.203 14.825 -5.326 1.00 0.00 H new ATOM 568 N ALA A 39 42.366 17.115 -10.699 1.00 0.00 N ATOM 569 CA ALA A 39 41.778 17.063 -12.026 1.00 0.00 C ATOM 570 C ALA A 39 42.064 18.376 -12.758 1.00 0.00 C ATOM 571 O ALA A 39 42.730 18.381 -13.792 1.00 0.00 O ATOM 572 CB ALA A 39 40.279 16.775 -11.910 1.00 0.00 C ATOM 0 H ALA A 39 41.715 16.928 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 39 42.221 16.256 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 39.838 16.736 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 39 40.130 15.818 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 39 39.800 17.565 -11.332 1.00 0.00 H new ATOM 578 N LEU A 40 41.547 19.457 -12.193 1.00 0.00 N ATOM 579 CA LEU A 40 41.739 20.772 -12.780 1.00 0.00 C ATOM 580 C LEU A 40 43.180 20.899 -13.277 1.00 0.00 C ATOM 581 O LEU A 40 43.416 21.060 -14.473 1.00 0.00 O ATOM 582 CB LEU A 40 41.331 21.865 -11.789 1.00 0.00 C ATOM 583 CG LEU A 40 39.835 22.171 -11.706 1.00 0.00 C ATOM 584 CD1 LEU A 40 39.425 22.524 -10.275 1.00 0.00 C ATOM 585 CD2 LEU A 40 39.444 23.267 -12.700 1.00 0.00 C ATOM 0 H LEU A 40 40.995 19.449 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 40 41.091 20.901 -13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 40 41.678 21.576 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 41.855 22.783 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 40 39.287 21.271 -11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.356 22.737 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.647 21.685 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.980 23.402 -9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 40 38.375 23.466 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 40.000 24.177 -12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 39.678 22.940 -13.713 1.00 0.00 H new ATOM 597 N ALA A 41 44.107 20.821 -12.333 1.00 0.00 N ATOM 598 CA ALA A 41 45.518 20.925 -12.660 1.00 0.00 C ATOM 599 C ALA A 41 45.797 20.152 -13.951 1.00 0.00 C ATOM 600 O ALA A 41 46.194 20.738 -14.956 1.00 0.00 O ATOM 601 CB ALA A 41 46.354 20.416 -11.484 1.00 0.00 C ATOM 0 H ALA A 41 43.908 20.687 -11.342 1.00 0.00 H new ATOM 0 HA ALA A 41 45.796 21.965 -12.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 47.413 20.494 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 41 46.141 21.017 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 41 46.104 19.374 -11.284 1.00 0.00 H new ATOM 607 N SER A 42 45.578 18.847 -13.880 1.00 0.00 N ATOM 608 CA SER A 42 45.800 17.987 -15.030 1.00 0.00 C ATOM 609 C SER A 42 45.238 18.646 -16.292 1.00 0.00 C ATOM 610 O SER A 42 45.929 18.746 -17.304 1.00 0.00 O ATOM 611 CB SER A 42 45.164 16.612 -14.821 1.00 0.00 C ATOM 612 OG SER A 42 45.779 15.896 -13.753 1.00 0.00 O ATOM 0 H SER A 42 45.249 18.364 -13.044 1.00 0.00 H new ATOM 0 HA SER A 42 46.874 17.845 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 42 44.101 16.732 -14.612 1.00 0.00 H new ATOM 0 HB3 SER A 42 45.245 16.032 -15.740 1.00 0.00 H new ATOM 0 HG SER A 42 45.309 15.047 -13.615 1.00 0.00 H new ATOM 618 N THR A 43 43.989 19.077 -16.189 1.00 0.00 N ATOM 619 CA THR A 43 43.327 19.723 -17.310 1.00 0.00 C ATOM 620 C THR A 43 43.435 21.244 -17.189 1.00 0.00 C ATOM 621 O THR A 43 42.530 21.969 -17.598 1.00 0.00 O ATOM 622 CB THR A 43 41.883 19.218 -17.360 1.00 0.00 C ATOM 623 OG1 THR A 43 41.221 19.960 -16.339 1.00 0.00 O ATOM 624 CG2 THR A 43 41.755 17.763 -16.905 1.00 0.00 C ATOM 0 H THR A 43 43.419 18.992 -15.348 1.00 0.00 H new ATOM 0 HA THR A 43 43.809 19.469 -18.254 1.00 0.00 H new ATOM 0 HB THR A 43 41.499 19.316 -18.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 40.254 19.818 -16.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.711 17.455 -16.960 1.00 0.00 H new ATOM 0 HG22 THR A 43 42.356 17.125 -17.553 1.00 0.00 H new ATOM 0 HG23 THR A 43 42.107 17.671 -15.878 1.00 0.00 H new ATOM 632 N GLY A 44 44.550 21.683 -16.624 1.00 0.00 N ATOM 633 CA GLY A 44 44.788 23.105 -16.443 1.00 0.00 C ATOM 634 C GLY A 44 43.738 23.724 -15.519 1.00 0.00 C ATOM 635 O GLY A 44 44.004 23.960 -14.341 1.00 0.00 O ATOM 0 H GLY A 44 45.299 21.079 -16.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 45.782 23.260 -16.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.767 23.607 -17.410 1.00 0.00 H new ATOM 639 N GLY A 45 42.567 23.969 -16.088 1.00 0.00 N ATOM 640 CA GLY A 45 41.475 24.556 -15.329 1.00 0.00 C ATOM 641 C GLY A 45 40.652 25.508 -16.200 1.00 0.00 C ATOM 642 O GLY A 45 40.512 26.687 -15.876 1.00 0.00 O ATOM 0 H GLY A 45 42.350 23.772 -17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 45 40.832 23.766 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 45 41.873 25.096 -14.470 1.00 0.00 H new ATOM 646 N ARG A 46 40.130 24.962 -17.288 1.00 0.00 N ATOM 647 CA ARG A 46 39.325 25.747 -18.208 1.00 0.00 C ATOM 648 C ARG A 46 37.852 25.353 -18.094 1.00 0.00 C ATOM 649 O ARG A 46 36.991 26.206 -17.883 1.00 0.00 O ATOM 650 CB ARG A 46 39.789 25.550 -19.653 1.00 0.00 C ATOM 651 CG ARG A 46 41.204 26.095 -19.854 1.00 0.00 C ATOM 652 CD ARG A 46 41.376 26.664 -21.264 1.00 0.00 C ATOM 653 NE ARG A 46 42.165 25.727 -22.095 1.00 0.00 N ATOM 654 CZ ARG A 46 42.581 25.995 -23.340 1.00 0.00 C ATOM 655 NH1 ARG A 46 42.286 27.173 -23.906 1.00 0.00 N ATOM 656 NH2 ARG A 46 43.292 25.085 -24.019 1.00 0.00 N ATOM 0 H ARG A 46 40.249 23.984 -17.553 1.00 0.00 H new ATOM 0 HA ARG A 46 39.445 26.797 -17.940 1.00 0.00 H new ATOM 0 HB2 ARG A 46 39.765 24.490 -19.905 1.00 0.00 H new ATOM 0 HB3 ARG A 46 39.101 26.055 -20.331 1.00 0.00 H new ATOM 0 HG2 ARG A 46 41.407 26.872 -19.117 1.00 0.00 H new ATOM 0 HG3 ARG A 46 41.931 25.300 -19.687 1.00 0.00 H new ATOM 0 HD2 ARG A 46 40.400 26.833 -21.719 1.00 0.00 H new ATOM 0 HD3 ARG A 46 41.877 27.631 -21.216 1.00 0.00 H new ATOM 0 HE ARG A 46 42.407 24.821 -21.695 1.00 0.00 H new ATOM 0 HH11 ARG A 46 41.745 27.866 -23.389 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.603 27.377 -24.854 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.517 24.188 -23.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.609 25.289 -24.967 1.00 0.00 H new ATOM 670 N SER A 47 37.606 24.059 -18.237 1.00 0.00 N ATOM 671 CA SER A 47 36.251 23.541 -18.152 1.00 0.00 C ATOM 672 C SER A 47 36.158 22.497 -17.038 1.00 0.00 C ATOM 673 O SER A 47 37.106 21.749 -16.802 1.00 0.00 O ATOM 674 CB SER A 47 35.809 22.934 -19.486 1.00 0.00 C ATOM 675 OG SER A 47 34.443 22.528 -19.461 1.00 0.00 O ATOM 0 H SER A 47 38.322 23.354 -18.411 1.00 0.00 H new ATOM 0 HA SER A 47 35.582 24.370 -17.921 1.00 0.00 H new ATOM 0 HB2 SER A 47 35.956 23.663 -20.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 36.438 22.075 -19.720 1.00 0.00 H new ATOM 0 HG SER A 47 34.199 22.148 -20.331 1.00 0.00 H new ATOM 681 N VAL A 48 35.008 22.480 -16.381 1.00 0.00 N ATOM 682 CA VAL A 48 34.779 21.540 -15.296 1.00 0.00 C ATOM 683 C VAL A 48 34.350 20.191 -15.878 1.00 0.00 C ATOM 684 O VAL A 48 34.515 19.155 -15.237 1.00 0.00 O ATOM 685 CB VAL A 48 33.761 22.117 -14.310 1.00 0.00 C ATOM 686 CG1 VAL A 48 34.305 23.377 -13.635 1.00 0.00 C ATOM 687 CG2 VAL A 48 32.426 22.398 -15.002 1.00 0.00 C ATOM 0 H VAL A 48 34.224 23.102 -16.579 1.00 0.00 H new ATOM 0 HA VAL A 48 35.698 21.374 -14.734 1.00 0.00 H new ATOM 0 HB VAL A 48 33.586 21.371 -13.535 1.00 0.00 H new ATOM 0 HG11 VAL A 48 33.562 23.767 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 48 35.218 23.133 -13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 48 34.523 24.130 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL A 48 31.720 22.807 -14.279 1.00 0.00 H new ATOM 0 HG22 VAL A 48 32.578 23.116 -15.808 1.00 0.00 H new ATOM 0 HG23 VAL A 48 32.027 21.471 -15.413 1.00 0.00 H new ATOM 697 N GLN A 49 33.809 20.249 -17.086 1.00 0.00 N ATOM 698 CA GLN A 49 33.355 19.045 -17.761 1.00 0.00 C ATOM 699 C GLN A 49 34.544 18.135 -18.079 1.00 0.00 C ATOM 700 O GLN A 49 34.527 16.949 -17.754 1.00 0.00 O ATOM 701 CB GLN A 49 32.573 19.389 -19.030 1.00 0.00 C ATOM 702 CG GLN A 49 31.071 19.458 -18.746 1.00 0.00 C ATOM 703 CD GLN A 49 30.433 18.070 -18.832 1.00 0.00 C ATOM 704 OE1 GLN A 49 30.238 17.513 -19.900 1.00 0.00 O ATOM 705 NE2 GLN A 49 30.120 17.545 -17.651 1.00 0.00 N ATOM 0 H GLN A 49 33.675 21.111 -17.615 1.00 0.00 H new ATOM 0 HA GLN A 49 32.681 18.510 -17.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.916 20.345 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.768 18.639 -19.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.904 19.878 -17.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.592 20.127 -19.461 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.311 18.066 -16.795 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.689 16.622 -17.601 1.00 0.00 H new ATOM 714 N THR A 50 35.547 18.726 -18.711 1.00 0.00 N ATOM 715 CA THR A 50 36.742 17.984 -19.077 1.00 0.00 C ATOM 716 C THR A 50 37.364 17.332 -17.841 1.00 0.00 C ATOM 717 O THR A 50 37.695 16.147 -17.859 1.00 0.00 O ATOM 718 CB THR A 50 37.690 18.941 -19.802 1.00 0.00 C ATOM 719 OG1 THR A 50 37.110 19.091 -21.095 1.00 0.00 O ATOM 720 CG2 THR A 50 39.058 18.313 -20.077 1.00 0.00 C ATOM 0 H THR A 50 35.557 19.710 -18.979 1.00 0.00 H new ATOM 0 HA THR A 50 36.506 17.163 -19.754 1.00 0.00 H new ATOM 0 HB THR A 50 37.819 19.845 -19.207 1.00 0.00 H new ATOM 0 HG1 THR A 50 37.661 19.698 -21.632 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.692 19.034 -20.593 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.524 18.029 -19.134 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.933 17.428 -20.701 1.00 0.00 H new ATOM 728 N ALA A 51 37.506 18.135 -16.796 1.00 0.00 N ATOM 729 CA ALA A 51 38.083 17.651 -15.553 1.00 0.00 C ATOM 730 C ALA A 51 37.301 16.426 -15.076 1.00 0.00 C ATOM 731 O ALA A 51 37.891 15.398 -14.745 1.00 0.00 O ATOM 732 CB ALA A 51 38.088 18.779 -14.520 1.00 0.00 C ATOM 0 H ALA A 51 37.231 19.117 -16.785 1.00 0.00 H new ATOM 0 HA ALA A 51 39.118 17.343 -15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 38.521 18.417 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 51 38.681 19.613 -14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.066 19.112 -14.340 1.00 0.00 H new ATOM 738 N CYS A 52 35.984 16.575 -15.055 1.00 0.00 N ATOM 739 CA CYS A 52 35.115 15.493 -14.623 1.00 0.00 C ATOM 740 C CYS A 52 35.548 14.214 -15.342 1.00 0.00 C ATOM 741 O CYS A 52 35.830 13.202 -14.701 1.00 0.00 O ATOM 742 CB CYS A 52 33.641 15.818 -14.873 1.00 0.00 C ATOM 743 SG CYS A 52 32.851 16.374 -13.319 1.00 0.00 S ATOM 0 H CYS A 52 35.498 17.428 -15.330 1.00 0.00 H new ATOM 0 HA CYS A 52 35.210 15.353 -13.546 1.00 0.00 H new ATOM 0 HB2 CYS A 52 33.555 16.595 -15.633 1.00 0.00 H new ATOM 0 HB3 CYS A 52 33.126 14.938 -15.258 1.00 0.00 H new ATOM 0 HG CYS A 52 31.600 16.649 -13.542 1.00 0.00 H new ATOM 749 N ASP A 53 35.586 14.300 -16.664 1.00 0.00 N ATOM 750 CA ASP A 53 35.979 13.161 -17.477 1.00 0.00 C ATOM 751 C ASP A 53 37.270 12.561 -16.916 1.00 0.00 C ATOM 752 O ASP A 53 37.342 11.359 -16.665 1.00 0.00 O ATOM 753 CB ASP A 53 36.243 13.583 -18.924 1.00 0.00 C ATOM 754 CG ASP A 53 35.797 12.573 -19.983 1.00 0.00 C ATOM 755 OD1 ASP A 53 36.364 11.458 -19.978 1.00 0.00 O ATOM 756 OD2 ASP A 53 34.900 12.938 -20.773 1.00 0.00 O ATOM 0 H ASP A 53 35.351 15.140 -17.192 1.00 0.00 H new ATOM 0 HA ASP A 53 35.167 12.434 -17.456 1.00 0.00 H new ATOM 0 HB2 ASP A 53 35.735 14.529 -19.109 1.00 0.00 H new ATOM 0 HB3 ASP A 53 37.311 13.766 -19.044 1.00 0.00 H new ATOM 761 N TRP A 54 38.257 13.426 -16.736 1.00 0.00 N ATOM 762 CA TRP A 54 39.542 12.997 -16.210 1.00 0.00 C ATOM 763 C TRP A 54 39.293 12.284 -14.879 1.00 0.00 C ATOM 764 O TRP A 54 39.706 11.139 -14.697 1.00 0.00 O ATOM 765 CB TRP A 54 40.506 14.178 -16.084 1.00 0.00 C ATOM 766 CG TRP A 54 41.906 13.790 -15.606 1.00 0.00 C ATOM 767 CD1 TRP A 54 42.984 13.509 -16.351 1.00 0.00 C ATOM 768 CD2 TRP A 54 42.340 13.652 -14.236 1.00 0.00 C ATOM 769 NE1 TRP A 54 44.076 13.201 -15.566 1.00 0.00 N ATOM 770 CE2 TRP A 54 43.672 13.290 -14.239 1.00 0.00 C ATOM 771 CE3 TRP A 54 41.630 13.826 -13.035 1.00 0.00 C ATOM 772 CZ2 TRP A 54 44.409 13.072 -13.069 1.00 0.00 C ATOM 773 CZ3 TRP A 54 42.381 13.604 -11.875 1.00 0.00 C ATOM 774 CH2 TRP A 54 43.723 13.240 -11.860 1.00 0.00 C ATOM 0 H TRP A 54 38.193 14.422 -16.945 1.00 0.00 H new ATOM 0 HA TRP A 54 40.025 12.300 -16.894 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.588 14.672 -17.052 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.085 14.905 -15.390 1.00 0.00 H new ATOM 0 HD1 TRP A 54 42.996 13.522 -17.431 1.00 0.00 H new ATOM 0 HE1 TRP A 54 45.008 12.954 -15.898 1.00 0.00 H new ATOM 0 HE3 TRP A 54 40.588 14.109 -13.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 45.451 12.789 -13.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 41.883 13.724 -10.924 1.00 0.00 H new ATOM 0 HH2 TRP A 54 44.234 13.088 -10.921 1.00 0.00 H new ATOM 785 N LEU A 55 38.619 12.990 -13.983 1.00 0.00 N ATOM 786 CA LEU A 55 38.311 12.438 -12.674 1.00 0.00 C ATOM 787 C LEU A 55 37.903 10.972 -12.827 1.00 0.00 C ATOM 788 O LEU A 55 38.621 10.075 -12.388 1.00 0.00 O ATOM 789 CB LEU A 55 37.262 13.298 -11.965 1.00 0.00 C ATOM 790 CG LEU A 55 37.804 14.409 -11.064 1.00 0.00 C ATOM 791 CD1 LEU A 55 36.839 15.595 -11.016 1.00 0.00 C ATOM 792 CD2 LEU A 55 38.125 13.874 -9.666 1.00 0.00 C ATOM 0 H LEU A 55 38.278 13.939 -14.137 1.00 0.00 H new ATOM 0 HA LEU A 55 39.193 12.458 -12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 55 36.621 13.751 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.631 12.644 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 55 38.739 14.771 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 55 37.248 16.371 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 36.704 15.995 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 55 35.877 15.266 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 38.509 14.684 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.219 13.469 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 55 38.876 13.088 -9.741 1.00 0.00 H new ATOM 804 N PHE A 56 36.751 10.773 -13.451 1.00 0.00 N ATOM 805 CA PHE A 56 36.239 9.430 -13.667 1.00 0.00 C ATOM 806 C PHE A 56 37.283 8.550 -14.356 1.00 0.00 C ATOM 807 O PHE A 56 37.612 7.471 -13.866 1.00 0.00 O ATOM 808 CB PHE A 56 35.016 9.559 -14.577 1.00 0.00 C ATOM 809 CG PHE A 56 33.989 10.587 -14.098 1.00 0.00 C ATOM 810 CD1 PHE A 56 33.590 10.594 -12.797 1.00 0.00 C ATOM 811 CD2 PHE A 56 33.475 11.493 -14.972 1.00 0.00 C ATOM 812 CE1 PHE A 56 32.637 11.548 -12.353 1.00 0.00 C ATOM 813 CE2 PHE A 56 32.522 12.447 -14.527 1.00 0.00 C ATOM 814 CZ PHE A 56 32.123 12.454 -13.227 1.00 0.00 C ATOM 0 H PHE A 56 36.158 11.519 -13.814 1.00 0.00 H new ATOM 0 HA PHE A 56 35.988 8.969 -12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 56 35.348 9.832 -15.578 1.00 0.00 H new ATOM 0 HB3 PHE A 56 34.531 8.586 -14.657 1.00 0.00 H new ATOM 0 HD1 PHE A 56 33.998 9.874 -12.103 1.00 0.00 H new ATOM 0 HD2 PHE A 56 33.792 11.487 -16.005 1.00 0.00 H new ATOM 0 HE1 PHE A 56 32.320 11.554 -11.321 1.00 0.00 H new ATOM 0 HE2 PHE A 56 32.114 13.167 -15.221 1.00 0.00 H new ATOM 0 HZ PHE A 56 31.398 13.179 -12.889 1.00 0.00 H new