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 Set 1.1: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.019) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -168:sc= 1.18 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0123 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 ----------------------------------------------------------------- ATOM 297 N ALA A 22 36.295 -21.016 -25.538 1.00 0.00 N ATOM 298 CA ALA A 22 36.712 -20.706 -26.894 1.00 0.00 C ATOM 299 C ALA A 22 37.727 -19.561 -26.862 1.00 0.00 C ATOM 300 O ALA A 22 38.830 -19.690 -27.390 1.00 0.00 O ATOM 301 CB ALA A 22 35.483 -20.372 -27.742 1.00 0.00 C ATOM 0 HA ALA A 22 37.200 -21.566 -27.352 1.00 0.00 H new ATOM 0 HB1 ALA A 22 35.796 -20.139 -28.760 1.00 0.00 H new ATOM 0 HB2 ALA A 22 34.808 -21.227 -27.756 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.969 -19.511 -27.315 1.00 0.00 H new ATOM 307 N LEU A 23 37.317 -18.467 -26.238 1.00 0.00 N ATOM 308 CA LEU A 23 38.176 -17.300 -26.130 1.00 0.00 C ATOM 309 C LEU A 23 39.596 -17.749 -25.778 1.00 0.00 C ATOM 310 O LEU A 23 40.562 -17.310 -26.400 1.00 0.00 O ATOM 311 CB LEU A 23 37.588 -16.291 -25.142 1.00 0.00 C ATOM 312 CG LEU A 23 38.598 -15.524 -24.285 1.00 0.00 C ATOM 313 CD1 LEU A 23 39.506 -14.653 -25.156 1.00 0.00 C ATOM 314 CD2 LEU A 23 37.890 -14.709 -23.201 1.00 0.00 C ATOM 0 H LEU A 23 36.401 -18.364 -25.802 1.00 0.00 H new ATOM 0 HA LEU A 23 38.233 -16.779 -27.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 36.994 -15.569 -25.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 36.905 -16.819 -24.477 1.00 0.00 H new ATOM 0 HG LEU A 23 39.236 -16.248 -23.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 40.214 -14.119 -24.523 1.00 0.00 H new ATOM 0 HD12 LEU A 23 40.051 -15.284 -25.858 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.900 -13.935 -25.709 1.00 0.00 H new ATOM 0 HD21 LEU A 23 38.630 -14.174 -22.606 1.00 0.00 H new ATOM 0 HD22 LEU A 23 37.213 -13.993 -23.668 1.00 0.00 H new ATOM 0 HD23 LEU A 23 37.321 -15.378 -22.556 1.00 0.00 H new ATOM 326 N ASP A 24 39.678 -18.619 -24.782 1.00 0.00 N ATOM 327 CA ASP A 24 40.963 -19.132 -24.340 1.00 0.00 C ATOM 328 C ASP A 24 41.775 -19.580 -25.557 1.00 0.00 C ATOM 329 O ASP A 24 42.974 -19.318 -25.639 1.00 0.00 O ATOM 330 CB ASP A 24 40.787 -20.340 -23.418 1.00 0.00 C ATOM 331 CG ASP A 24 40.744 -20.013 -21.924 1.00 0.00 C ATOM 332 OD1 ASP A 24 40.677 -18.805 -21.609 1.00 0.00 O ATOM 333 OD2 ASP A 24 40.779 -20.978 -21.131 1.00 0.00 O ATOM 0 H ASP A 24 38.875 -18.982 -24.269 1.00 0.00 H new ATOM 0 HA ASP A 24 41.475 -18.337 -23.798 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.864 -20.853 -23.689 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.605 -21.038 -23.598 1.00 0.00 H new ATOM 338 N VAL A 25 41.088 -20.247 -26.473 1.00 0.00 N ATOM 339 CA VAL A 25 41.730 -20.734 -27.682 1.00 0.00 C ATOM 340 C VAL A 25 42.405 -19.565 -28.402 1.00 0.00 C ATOM 341 O VAL A 25 43.606 -19.603 -28.663 1.00 0.00 O ATOM 342 CB VAL A 25 40.710 -21.467 -28.557 1.00 0.00 C ATOM 343 CG1 VAL A 25 41.391 -22.124 -29.759 1.00 0.00 C ATOM 344 CG2 VAL A 25 39.926 -22.496 -27.740 1.00 0.00 C ATOM 0 H VAL A 25 40.093 -20.461 -26.402 1.00 0.00 H new ATOM 0 HA VAL A 25 42.508 -21.457 -27.437 1.00 0.00 H new ATOM 0 HB VAL A 25 40.002 -20.730 -28.935 1.00 0.00 H new ATOM 0 HG11 VAL A 25 40.644 -22.638 -30.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 41.883 -21.360 -30.361 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.132 -22.843 -29.409 1.00 0.00 H new ATOM 0 HG21 VAL A 25 39.208 -23.003 -28.385 1.00 0.00 H new ATOM 0 HG22 VAL A 25 40.615 -23.228 -27.319 1.00 0.00 H new ATOM 0 HG23 VAL A 25 39.395 -21.992 -26.933 1.00 0.00 H new ATOM 354 N LEU A 26 41.603 -18.555 -28.703 1.00 0.00 N ATOM 355 CA LEU A 26 42.108 -17.377 -29.388 1.00 0.00 C ATOM 356 C LEU A 26 43.321 -16.833 -28.631 1.00 0.00 C ATOM 357 O LEU A 26 44.310 -16.431 -29.243 1.00 0.00 O ATOM 358 CB LEU A 26 40.991 -16.348 -29.579 1.00 0.00 C ATOM 359 CG LEU A 26 40.063 -16.581 -30.773 1.00 0.00 C ATOM 360 CD1 LEU A 26 38.650 -16.073 -30.476 1.00 0.00 C ATOM 361 CD2 LEU A 26 40.640 -15.959 -32.046 1.00 0.00 C ATOM 0 H LEU A 26 40.607 -18.528 -28.485 1.00 0.00 H new ATOM 0 HA LEU A 26 42.447 -17.636 -30.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 40.386 -16.325 -28.673 1.00 0.00 H new ATOM 0 HB3 LEU A 26 41.445 -15.363 -29.684 1.00 0.00 H new ATOM 0 HG LEU A 26 39.990 -17.655 -30.945 1.00 0.00 H new ATOM 0 HD11 LEU A 26 38.010 -16.251 -31.341 1.00 0.00 H new ATOM 0 HD12 LEU A 26 38.247 -16.602 -29.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 38.685 -15.004 -30.264 1.00 0.00 H new ATOM 0 HD21 LEU A 26 39.961 -16.139 -32.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 40.762 -14.885 -31.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 41.609 -16.409 -32.264 1.00 0.00 H new ATOM 373 N LEU A 27 43.207 -16.839 -27.311 1.00 0.00 N ATOM 374 CA LEU A 27 44.282 -16.352 -26.464 1.00 0.00 C ATOM 375 C LEU A 27 45.543 -17.180 -26.721 1.00 0.00 C ATOM 376 O LEU A 27 46.643 -16.635 -26.796 1.00 0.00 O ATOM 377 CB LEU A 27 43.845 -16.336 -24.998 1.00 0.00 C ATOM 378 CG LEU A 27 42.841 -15.249 -24.610 1.00 0.00 C ATOM 379 CD1 LEU A 27 42.326 -15.462 -23.185 1.00 0.00 C ATOM 380 CD2 LEU A 27 43.441 -13.855 -24.800 1.00 0.00 C ATOM 0 H LEU A 27 42.386 -17.174 -26.807 1.00 0.00 H new ATOM 0 HA LEU A 27 44.523 -15.318 -26.711 1.00 0.00 H new ATOM 0 HB2 LEU A 27 43.411 -17.307 -24.758 1.00 0.00 H new ATOM 0 HB3 LEU A 27 44.733 -16.222 -24.376 1.00 0.00 H new ATOM 0 HG LEU A 27 41.982 -15.323 -25.277 1.00 0.00 H new ATOM 0 HD11 LEU A 27 41.614 -14.676 -22.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 41.834 -16.432 -23.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 43.163 -15.430 -22.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.706 -13.101 -24.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 44.327 -13.752 -24.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 43.718 -13.717 -25.845 1.00 0.00 H new ATOM 392 N SER A 28 45.341 -18.483 -26.849 1.00 0.00 N ATOM 393 CA SER A 28 46.447 -19.391 -27.095 1.00 0.00 C ATOM 394 C SER A 28 47.093 -19.075 -28.446 1.00 0.00 C ATOM 395 O SER A 28 48.312 -19.150 -28.588 1.00 0.00 O ATOM 396 CB SER A 28 45.983 -20.849 -27.057 1.00 0.00 C ATOM 397 OG SER A 28 47.045 -21.755 -27.338 1.00 0.00 O ATOM 0 H SER A 28 44.427 -18.931 -26.787 1.00 0.00 H new ATOM 0 HA SER A 28 47.185 -19.252 -26.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 45.567 -21.072 -26.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 45.182 -20.993 -27.782 1.00 0.00 H new ATOM 0 HG SER A 28 46.708 -22.675 -27.303 1.00 0.00 H new ATOM 403 N MET A 29 46.245 -18.730 -29.404 1.00 0.00 N ATOM 404 CA MET A 29 46.718 -18.402 -30.739 1.00 0.00 C ATOM 405 C MET A 29 47.658 -17.196 -30.706 1.00 0.00 C ATOM 406 O MET A 29 48.505 -17.040 -31.585 1.00 0.00 O ATOM 407 CB MET A 29 45.523 -18.094 -31.642 1.00 0.00 C ATOM 408 CG MET A 29 44.968 -19.373 -32.273 1.00 0.00 C ATOM 409 SD MET A 29 44.534 -19.074 -33.979 1.00 0.00 S ATOM 410 CE MET A 29 42.886 -19.759 -34.004 1.00 0.00 C ATOM 0 H MET A 29 45.234 -18.670 -29.283 1.00 0.00 H new ATOM 0 HA MET A 29 47.269 -19.257 -31.130 1.00 0.00 H new ATOM 0 HB2 MET A 29 44.742 -17.602 -31.062 1.00 0.00 H new ATOM 0 HB3 MET A 29 45.824 -17.399 -32.426 1.00 0.00 H new ATOM 0 HG2 MET A 29 45.709 -20.170 -32.212 1.00 0.00 H new ATOM 0 HG3 MET A 29 44.091 -19.710 -31.720 1.00 0.00 H new ATOM 0 HE1 MET A 29 42.464 -19.654 -35.003 1.00 0.00 H new ATOM 0 HE2 MET A 29 42.927 -20.815 -33.736 1.00 0.00 H new ATOM 0 HE3 MET A 29 42.260 -19.227 -33.288 1.00 0.00 H new ATOM 420 N GLY A 30 47.478 -16.372 -29.684 1.00 0.00 N ATOM 421 CA GLY A 30 48.300 -15.184 -29.526 1.00 0.00 C ATOM 422 C GLY A 30 47.441 -13.918 -29.537 1.00 0.00 C ATOM 423 O GLY A 30 47.900 -12.849 -29.139 1.00 0.00 O ATOM 0 H GLY A 30 46.775 -16.504 -28.957 1.00 0.00 H new ATOM 0 HA2 GLY A 30 48.855 -15.243 -28.590 1.00 0.00 H new ATOM 0 HA3 GLY A 30 49.035 -15.136 -30.330 1.00 0.00 H new ATOM 427 N PHE A 31 46.209 -14.081 -29.997 1.00 0.00 N ATOM 428 CA PHE A 31 45.282 -12.965 -30.065 1.00 0.00 C ATOM 429 C PHE A 31 44.968 -12.426 -28.668 1.00 0.00 C ATOM 430 O PHE A 31 44.901 -13.189 -27.705 1.00 0.00 O ATOM 431 CB PHE A 31 43.992 -13.492 -30.697 1.00 0.00 C ATOM 432 CG PHE A 31 44.077 -13.691 -32.211 1.00 0.00 C ATOM 433 CD1 PHE A 31 44.616 -14.832 -32.718 1.00 0.00 C ATOM 434 CD2 PHE A 31 43.613 -12.726 -33.051 1.00 0.00 C ATOM 435 CE1 PHE A 31 44.695 -15.017 -34.124 1.00 0.00 C ATOM 436 CE2 PHE A 31 43.692 -12.911 -34.457 1.00 0.00 C ATOM 437 CZ PHE A 31 44.231 -14.052 -34.963 1.00 0.00 C ATOM 0 H PHE A 31 45.832 -14.970 -30.326 1.00 0.00 H new ATOM 0 HA PHE A 31 45.719 -12.154 -30.648 1.00 0.00 H new ATOM 0 HB2 PHE A 31 43.733 -14.442 -30.230 1.00 0.00 H new ATOM 0 HB3 PHE A 31 43.182 -12.797 -30.477 1.00 0.00 H new ATOM 0 HD1 PHE A 31 44.984 -15.598 -32.051 1.00 0.00 H new ATOM 0 HD2 PHE A 31 43.185 -11.820 -32.649 1.00 0.00 H new ATOM 0 HE1 PHE A 31 45.123 -15.923 -34.527 1.00 0.00 H new ATOM 0 HE2 PHE A 31 43.324 -12.145 -35.124 1.00 0.00 H new ATOM 0 HZ PHE A 31 44.291 -14.192 -36.032 1.00 0.00 H new ATOM 447 N PRO A 32 44.780 -11.081 -28.599 1.00 0.00 N ATOM 448 CA PRO A 32 44.475 -10.432 -27.335 1.00 0.00 C ATOM 449 C PRO A 32 43.025 -10.691 -26.921 1.00 0.00 C ATOM 450 O PRO A 32 42.128 -10.701 -27.763 1.00 0.00 O ATOM 451 CB PRO A 32 44.772 -8.959 -27.568 1.00 0.00 C ATOM 452 CG PRO A 32 44.786 -8.770 -29.076 1.00 0.00 C ATOM 453 CD PRO A 32 44.852 -10.146 -29.718 1.00 0.00 C ATOM 0 HA PRO A 32 45.071 -10.820 -26.509 1.00 0.00 H new ATOM 0 HB2 PRO A 32 44.014 -8.329 -27.103 1.00 0.00 H new ATOM 0 HB3 PRO A 32 45.731 -8.680 -27.131 1.00 0.00 H new ATOM 0 HG2 PRO A 32 43.892 -8.239 -29.402 1.00 0.00 H new ATOM 0 HG3 PRO A 32 45.643 -8.167 -29.377 1.00 0.00 H new ATOM 0 HD2 PRO A 32 44.028 -10.298 -30.415 1.00 0.00 H new ATOM 0 HD3 PRO A 32 45.775 -10.275 -30.283 1.00 0.00 H new ATOM 461 N ARG A 33 42.840 -10.893 -25.625 1.00 0.00 N ATOM 462 CA ARG A 33 41.514 -11.152 -25.090 1.00 0.00 C ATOM 463 C ARG A 33 40.476 -10.284 -25.803 1.00 0.00 C ATOM 464 O ARG A 33 39.561 -10.802 -26.442 1.00 0.00 O ATOM 465 CB ARG A 33 41.462 -10.867 -23.587 1.00 0.00 C ATOM 466 CG ARG A 33 40.361 -11.687 -22.912 1.00 0.00 C ATOM 467 CD ARG A 33 40.257 -11.345 -21.424 1.00 0.00 C ATOM 468 NE ARG A 33 39.352 -12.300 -20.747 1.00 0.00 N ATOM 469 CZ ARG A 33 38.878 -12.134 -19.505 1.00 0.00 C ATOM 470 NH1 ARG A 33 39.220 -11.049 -18.796 1.00 0.00 N ATOM 471 NH2 ARG A 33 38.061 -13.053 -18.971 1.00 0.00 N ATOM 0 H ARG A 33 43.586 -10.883 -24.930 1.00 0.00 H new ATOM 0 HA ARG A 33 41.288 -12.205 -25.257 1.00 0.00 H new ATOM 0 HB2 ARG A 33 42.425 -11.103 -23.135 1.00 0.00 H new ATOM 0 HB3 ARG A 33 41.283 -9.805 -23.420 1.00 0.00 H new ATOM 0 HG2 ARG A 33 39.406 -11.493 -23.401 1.00 0.00 H new ATOM 0 HG3 ARG A 33 40.570 -12.750 -23.031 1.00 0.00 H new ATOM 0 HD2 ARG A 33 41.245 -11.379 -20.965 1.00 0.00 H new ATOM 0 HD3 ARG A 33 39.884 -10.328 -21.301 1.00 0.00 H new ATOM 0 HE ARG A 33 39.071 -13.137 -21.258 1.00 0.00 H new ATOM 0 HH11 ARG A 33 39.841 -10.349 -19.202 1.00 0.00 H new ATOM 0 HH12 ARG A 33 38.859 -10.923 -17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.800 -13.879 -19.510 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.700 -12.927 -18.025 1.00 0.00 H new ATOM 485 N ALA A 34 40.651 -8.977 -25.669 1.00 0.00 N ATOM 486 CA ALA A 34 39.740 -8.032 -26.293 1.00 0.00 C ATOM 487 C ALA A 34 39.385 -8.523 -27.698 1.00 0.00 C ATOM 488 O ALA A 34 38.224 -8.809 -27.984 1.00 0.00 O ATOM 489 CB ALA A 34 40.377 -6.641 -26.305 1.00 0.00 C ATOM 0 H ALA A 34 41.410 -8.550 -25.138 1.00 0.00 H new ATOM 0 HA ALA A 34 38.812 -7.961 -25.725 1.00 0.00 H new ATOM 0 HB1 ALA A 34 39.694 -5.932 -26.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.582 -6.326 -25.282 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.309 -6.673 -26.869 1.00 0.00 H new ATOM 495 N ARG A 35 40.408 -8.606 -28.536 1.00 0.00 N ATOM 496 CA ARG A 35 40.218 -9.058 -29.904 1.00 0.00 C ATOM 497 C ARG A 35 39.202 -10.201 -29.950 1.00 0.00 C ATOM 498 O ARG A 35 38.148 -10.074 -30.572 1.00 0.00 O ATOM 499 CB ARG A 35 41.538 -9.534 -30.515 1.00 0.00 C ATOM 500 CG ARG A 35 41.886 -8.725 -31.766 1.00 0.00 C ATOM 501 CD ARG A 35 42.067 -7.244 -31.429 1.00 0.00 C ATOM 502 NE ARG A 35 42.756 -6.552 -32.541 1.00 0.00 N ATOM 503 CZ ARG A 35 44.036 -6.762 -32.878 1.00 0.00 C ATOM 504 NH1 ARG A 35 44.774 -7.644 -32.191 1.00 0.00 N ATOM 505 NH2 ARG A 35 44.578 -6.089 -33.902 1.00 0.00 N ATOM 0 H ARG A 35 41.370 -8.368 -28.294 1.00 0.00 H new ATOM 0 HA ARG A 35 39.846 -8.213 -30.483 1.00 0.00 H new ATOM 0 HB2 ARG A 35 42.338 -9.438 -29.781 1.00 0.00 H new ATOM 0 HB3 ARG A 35 41.465 -10.591 -30.770 1.00 0.00 H new ATOM 0 HG2 ARG A 35 42.801 -9.114 -32.212 1.00 0.00 H new ATOM 0 HG3 ARG A 35 41.096 -8.839 -32.508 1.00 0.00 H new ATOM 0 HD2 ARG A 35 41.096 -6.782 -31.249 1.00 0.00 H new ATOM 0 HD3 ARG A 35 42.645 -7.140 -30.511 1.00 0.00 H new ATOM 0 HE ARG A 35 42.224 -5.873 -33.085 1.00 0.00 H new ATOM 0 HH11 ARG A 35 44.362 -8.156 -31.411 1.00 0.00 H new ATOM 0 HH12 ARG A 35 45.748 -7.804 -32.448 1.00 0.00 H new ATOM 0 HH21 ARG A 35 44.016 -5.417 -34.425 1.00 0.00 H new ATOM 0 HH22 ARG A 35 45.552 -6.249 -34.159 1.00 0.00 H new ATOM 519 N ALA A 36 39.554 -11.291 -29.284 1.00 0.00 N ATOM 520 CA ALA A 36 38.686 -12.455 -29.241 1.00 0.00 C ATOM 521 C ALA A 36 37.329 -12.053 -28.659 1.00 0.00 C ATOM 522 O ALA A 36 36.286 -12.405 -29.207 1.00 0.00 O ATOM 523 CB ALA A 36 39.361 -13.565 -28.433 1.00 0.00 C ATOM 0 H ALA A 36 40.429 -11.392 -28.770 1.00 0.00 H new ATOM 0 HA ALA A 36 38.512 -12.842 -30.245 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.710 -14.439 -28.400 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.306 -13.834 -28.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 39.548 -13.214 -27.418 1.00 0.00 H new ATOM 529 N GLN A 37 37.388 -11.320 -27.557 1.00 0.00 N ATOM 530 CA GLN A 37 36.177 -10.866 -26.895 1.00 0.00 C ATOM 531 C GLN A 37 35.256 -10.164 -27.895 1.00 0.00 C ATOM 532 O GLN A 37 34.125 -10.596 -28.113 1.00 0.00 O ATOM 533 CB GLN A 37 36.507 -9.948 -25.716 1.00 0.00 C ATOM 534 CG GLN A 37 36.774 -10.760 -24.447 1.00 0.00 C ATOM 535 CD GLN A 37 35.676 -10.530 -23.407 1.00 0.00 C ATOM 536 OE1 GLN A 37 34.492 -10.629 -23.685 1.00 0.00 O ATOM 537 NE2 GLN A 37 36.133 -10.218 -22.198 1.00 0.00 N ATOM 0 H GLN A 37 38.255 -11.029 -27.106 1.00 0.00 H new ATOM 0 HA GLN A 37 35.655 -11.737 -26.499 1.00 0.00 H new ATOM 0 HB2 GLN A 37 37.381 -9.343 -25.955 1.00 0.00 H new ATOM 0 HB3 GLN A 37 35.680 -9.259 -25.544 1.00 0.00 H new ATOM 0 HG2 GLN A 37 36.829 -11.820 -24.694 1.00 0.00 H new ATOM 0 HG3 GLN A 37 37.741 -10.480 -24.028 1.00 0.00 H new ATOM 0 HE21 GLN A 37 37.138 -10.152 -22.034 1.00 0.00 H new ATOM 0 HE22 GLN A 37 35.479 -10.045 -21.435 1.00 0.00 H new ATOM 546 N LYS A 38 35.775 -9.093 -28.478 1.00 0.00 N ATOM 547 CA LYS A 38 35.014 -8.327 -29.450 1.00 0.00 C ATOM 548 C LYS A 38 34.480 -9.270 -30.531 1.00 0.00 C ATOM 549 O LYS A 38 33.275 -9.326 -30.770 1.00 0.00 O ATOM 550 CB LYS A 38 35.856 -7.174 -30.001 1.00 0.00 C ATOM 551 CG LYS A 38 35.032 -6.297 -30.946 1.00 0.00 C ATOM 552 CD LYS A 38 34.822 -4.902 -30.355 1.00 0.00 C ATOM 553 CE LYS A 38 34.835 -3.834 -31.451 1.00 0.00 C ATOM 554 NZ LYS A 38 34.681 -2.485 -30.862 1.00 0.00 N ATOM 0 H LYS A 38 36.714 -8.738 -28.296 1.00 0.00 H new ATOM 0 HA LYS A 38 34.149 -7.862 -28.976 1.00 0.00 H new ATOM 0 HB2 LYS A 38 36.236 -6.570 -29.177 1.00 0.00 H new ATOM 0 HB3 LYS A 38 36.722 -7.572 -30.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 35.539 -6.216 -31.908 1.00 0.00 H new ATOM 0 HG3 LYS A 38 34.066 -6.766 -31.133 1.00 0.00 H new ATOM 0 HD2 LYS A 38 33.872 -4.869 -29.821 1.00 0.00 H new ATOM 0 HD3 LYS A 38 35.605 -4.690 -29.627 1.00 0.00 H new ATOM 0 HE2 LYS A 38 35.769 -3.889 -32.009 1.00 0.00 H new ATOM 0 HE3 LYS A 38 34.029 -4.022 -32.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 34.692 -1.772 -31.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 33.778 -2.431 -30.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 35.465 -2.302 -30.203 1.00 0.00 H new ATOM 568 N ALA A 39 35.404 -9.987 -31.154 1.00 0.00 N ATOM 569 CA ALA A 39 35.041 -10.924 -32.204 1.00 0.00 C ATOM 570 C ALA A 39 33.925 -11.841 -31.699 1.00 0.00 C ATOM 571 O ALA A 39 32.815 -11.825 -32.229 1.00 0.00 O ATOM 572 CB ALA A 39 36.282 -11.704 -32.644 1.00 0.00 C ATOM 0 H ALA A 39 36.403 -9.938 -30.952 1.00 0.00 H new ATOM 0 HA ALA A 39 34.663 -10.394 -33.078 1.00 0.00 H new ATOM 0 HB1 ALA A 39 36.010 -12.407 -33.431 1.00 0.00 H new ATOM 0 HB2 ALA A 39 37.033 -11.010 -33.021 1.00 0.00 H new ATOM 0 HB3 ALA A 39 36.688 -12.252 -31.793 1.00 0.00 H new ATOM 578 N LEU A 40 34.258 -12.620 -30.680 1.00 0.00 N ATOM 579 CA LEU A 40 33.298 -13.542 -30.097 1.00 0.00 C ATOM 580 C LEU A 40 31.930 -12.862 -30.013 1.00 0.00 C ATOM 581 O LEU A 40 30.963 -13.327 -30.614 1.00 0.00 O ATOM 582 CB LEU A 40 33.808 -14.068 -28.754 1.00 0.00 C ATOM 583 CG LEU A 40 34.776 -15.251 -28.820 1.00 0.00 C ATOM 584 CD1 LEU A 40 35.894 -15.102 -27.786 1.00 0.00 C ATOM 585 CD2 LEU A 40 34.032 -16.579 -28.673 1.00 0.00 C ATOM 0 H LEU A 40 35.180 -12.632 -30.243 1.00 0.00 H new ATOM 0 HA LEU A 40 33.179 -14.420 -30.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 34.301 -13.250 -28.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 32.948 -14.361 -28.151 1.00 0.00 H new ATOM 0 HG LEU A 40 35.245 -15.254 -29.804 1.00 0.00 H new ATOM 0 HD11 LEU A 40 36.568 -15.956 -27.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.449 -14.185 -27.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 35.462 -15.059 -26.786 1.00 0.00 H new ATOM 0 HD21 LEU A 40 34.744 -17.403 -28.724 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.517 -16.603 -27.713 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.304 -16.679 -29.478 1.00 0.00 H new ATOM 597 N ALA A 41 31.893 -11.771 -29.262 1.00 0.00 N ATOM 598 CA ALA A 41 30.660 -11.022 -29.091 1.00 0.00 C ATOM 599 C ALA A 41 29.954 -10.895 -30.442 1.00 0.00 C ATOM 600 O ALA A 41 28.823 -11.353 -30.600 1.00 0.00 O ATOM 601 CB ALA A 41 30.972 -9.660 -28.466 1.00 0.00 C ATOM 0 H ALA A 41 32.697 -11.388 -28.765 1.00 0.00 H new ATOM 0 HA ALA A 41 29.985 -11.545 -28.414 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.047 -9.098 -28.338 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.446 -9.805 -27.495 1.00 0.00 H new ATOM 0 HB3 ALA A 41 31.646 -9.106 -29.119 1.00 0.00 H new ATOM 607 N SER A 42 30.649 -10.272 -31.381 1.00 0.00 N ATOM 608 CA SER A 42 30.103 -10.080 -32.714 1.00 0.00 C ATOM 609 C SER A 42 29.442 -11.371 -33.200 1.00 0.00 C ATOM 610 O SER A 42 28.278 -11.366 -33.597 1.00 0.00 O ATOM 611 CB SER A 42 31.189 -9.637 -33.696 1.00 0.00 C ATOM 612 OG SER A 42 31.756 -8.381 -33.335 1.00 0.00 O ATOM 0 H SER A 42 31.586 -9.893 -31.246 1.00 0.00 H new ATOM 0 HA SER A 42 29.352 -9.291 -32.665 1.00 0.00 H new ATOM 0 HB2 SER A 42 31.974 -10.392 -33.733 1.00 0.00 H new ATOM 0 HB3 SER A 42 30.766 -9.569 -34.698 1.00 0.00 H new ATOM 0 HG SER A 42 32.298 -8.041 -34.077 1.00 0.00 H new ATOM 618 N THR A 43 30.214 -12.447 -33.152 1.00 0.00 N ATOM 619 CA THR A 43 29.718 -13.744 -33.582 1.00 0.00 C ATOM 620 C THR A 43 29.097 -14.495 -32.403 1.00 0.00 C ATOM 621 O THR A 43 29.167 -15.722 -32.338 1.00 0.00 O ATOM 622 CB THR A 43 30.874 -14.497 -34.242 1.00 0.00 C ATOM 623 OG1 THR A 43 31.643 -14.983 -33.145 1.00 0.00 O ATOM 624 CG2 THR A 43 31.833 -13.564 -34.984 1.00 0.00 C ATOM 0 H THR A 43 31.179 -12.447 -32.822 1.00 0.00 H new ATOM 0 HA THR A 43 28.919 -13.639 -34.316 1.00 0.00 H new ATOM 0 HB THR A 43 30.475 -15.236 -34.937 1.00 0.00 H new ATOM 0 HG1 THR A 43 32.413 -15.486 -33.483 1.00 0.00 H new ATOM 0 HG21 THR A 43 32.635 -14.149 -35.434 1.00 0.00 H new ATOM 0 HG22 THR A 43 31.291 -13.031 -35.765 1.00 0.00 H new ATOM 0 HG23 THR A 43 32.258 -12.846 -34.282 1.00 0.00 H new ATOM 632 N GLY A 44 28.503 -13.729 -31.501 1.00 0.00 N ATOM 633 CA GLY A 44 27.870 -14.307 -30.328 1.00 0.00 C ATOM 634 C GLY A 44 28.913 -14.892 -29.374 1.00 0.00 C ATOM 635 O GLY A 44 29.150 -14.347 -28.297 1.00 0.00 O ATOM 0 H GLY A 44 28.446 -12.712 -31.559 1.00 0.00 H new ATOM 0 HA2 GLY A 44 27.287 -13.544 -29.812 1.00 0.00 H new ATOM 0 HA3 GLY A 44 27.173 -15.088 -30.634 1.00 0.00 H new ATOM 639 N GLY A 45 29.509 -15.994 -29.804 1.00 0.00 N ATOM 640 CA GLY A 45 30.522 -16.659 -29.002 1.00 0.00 C ATOM 641 C GLY A 45 30.266 -18.166 -28.934 1.00 0.00 C ATOM 642 O GLY A 45 30.110 -18.725 -27.850 1.00 0.00 O ATOM 0 H GLY A 45 29.310 -16.443 -30.698 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.508 -16.473 -29.428 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.526 -16.241 -27.995 1.00 0.00 H new ATOM 646 N ARG A 46 30.231 -18.781 -30.108 1.00 0.00 N ATOM 647 CA ARG A 46 29.996 -20.212 -30.195 1.00 0.00 C ATOM 648 C ARG A 46 31.277 -20.935 -30.616 1.00 0.00 C ATOM 649 O ARG A 46 31.732 -21.849 -29.930 1.00 0.00 O ATOM 650 CB ARG A 46 28.887 -20.528 -31.201 1.00 0.00 C ATOM 651 CG ARG A 46 27.888 -21.529 -30.618 1.00 0.00 C ATOM 652 CD ARG A 46 26.652 -21.653 -31.512 1.00 0.00 C ATOM 653 NE ARG A 46 26.229 -23.069 -31.597 1.00 0.00 N ATOM 654 CZ ARG A 46 25.528 -23.702 -30.646 1.00 0.00 C ATOM 655 NH1 ARG A 46 25.167 -23.049 -29.533 1.00 0.00 N ATOM 656 NH2 ARG A 46 25.188 -24.988 -30.809 1.00 0.00 N ATOM 0 H ARG A 46 30.361 -18.314 -31.006 1.00 0.00 H new ATOM 0 HA ARG A 46 29.686 -20.558 -29.209 1.00 0.00 H new ATOM 0 HB2 ARG A 46 28.368 -19.610 -31.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 29.324 -20.934 -32.114 1.00 0.00 H new ATOM 0 HG2 ARG A 46 28.364 -22.504 -30.512 1.00 0.00 H new ATOM 0 HG3 ARG A 46 27.589 -21.210 -29.620 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.840 -21.046 -31.111 1.00 0.00 H new ATOM 0 HD3 ARG A 46 26.874 -21.271 -32.508 1.00 0.00 H new ATOM 0 HE ARG A 46 26.487 -23.596 -32.431 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.426 -22.070 -29.409 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.634 -23.531 -28.809 1.00 0.00 H new ATOM 0 HH21 ARG A 46 25.463 -25.485 -31.657 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.655 -25.470 -30.086 1.00 0.00 H new ATOM 670 N SER A 47 31.823 -20.498 -31.741 1.00 0.00 N ATOM 671 CA SER A 47 33.043 -21.092 -32.261 1.00 0.00 C ATOM 672 C SER A 47 34.120 -20.018 -32.424 1.00 0.00 C ATOM 673 O SER A 47 33.808 -18.848 -32.642 1.00 0.00 O ATOM 674 CB SER A 47 32.788 -21.794 -33.597 1.00 0.00 C ATOM 675 OG SER A 47 33.951 -22.459 -34.081 1.00 0.00 O ATOM 0 H SER A 47 31.443 -19.739 -32.307 1.00 0.00 H new ATOM 0 HA SER A 47 33.390 -21.840 -31.548 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.980 -22.516 -33.479 1.00 0.00 H new ATOM 0 HB3 SER A 47 32.456 -21.062 -34.333 1.00 0.00 H new ATOM 0 HG SER A 47 33.747 -22.896 -34.934 1.00 0.00 H new ATOM 681 N VAL A 48 35.367 -20.453 -32.311 1.00 0.00 N ATOM 682 CA VAL A 48 36.492 -19.543 -32.442 1.00 0.00 C ATOM 683 C VAL A 48 36.803 -19.334 -33.925 1.00 0.00 C ATOM 684 O VAL A 48 37.282 -18.272 -34.319 1.00 0.00 O ATOM 685 CB VAL A 48 37.688 -20.073 -31.649 1.00 0.00 C ATOM 686 CG1 VAL A 48 37.454 -19.933 -30.144 1.00 0.00 C ATOM 687 CG2 VAL A 48 37.995 -21.524 -32.024 1.00 0.00 C ATOM 0 H VAL A 48 35.623 -21.424 -32.130 1.00 0.00 H new ATOM 0 HA VAL A 48 36.246 -18.568 -32.021 1.00 0.00 H new ATOM 0 HB VAL A 48 38.557 -19.469 -31.910 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.319 -20.317 -29.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 37.308 -18.882 -29.895 1.00 0.00 H new ATOM 0 HG13 VAL A 48 36.568 -20.500 -29.859 1.00 0.00 H new ATOM 0 HG21 VAL A 48 38.849 -21.876 -31.446 1.00 0.00 H new ATOM 0 HG22 VAL A 48 37.128 -22.147 -31.806 1.00 0.00 H new ATOM 0 HG23 VAL A 48 38.227 -21.584 -33.087 1.00 0.00 H new ATOM 697 N GLN A 49 36.517 -20.365 -34.708 1.00 0.00 N ATOM 698 CA GLN A 49 36.760 -20.307 -36.139 1.00 0.00 C ATOM 699 C GLN A 49 35.965 -19.161 -36.767 1.00 0.00 C ATOM 700 O GLN A 49 36.523 -18.337 -37.490 1.00 0.00 O ATOM 701 CB GLN A 49 36.420 -21.641 -36.807 1.00 0.00 C ATOM 702 CG GLN A 49 36.749 -21.606 -38.301 1.00 0.00 C ATOM 703 CD GLN A 49 37.840 -22.622 -38.645 1.00 0.00 C ATOM 704 OE1 GLN A 49 37.593 -23.663 -39.231 1.00 0.00 O ATOM 705 NE2 GLN A 49 39.058 -22.261 -38.251 1.00 0.00 N ATOM 0 H GLN A 49 36.120 -21.244 -34.378 1.00 0.00 H new ATOM 0 HA GLN A 49 37.821 -20.117 -36.300 1.00 0.00 H new ATOM 0 HB2 GLN A 49 36.978 -22.445 -36.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 35.361 -21.861 -36.669 1.00 0.00 H new ATOM 0 HG2 GLN A 49 35.851 -21.821 -38.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 37.077 -20.605 -38.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 39.195 -21.375 -37.765 1.00 0.00 H new ATOM 0 HE22 GLN A 49 39.855 -22.870 -38.435 1.00 0.00 H new ATOM 714 N THR A 50 34.674 -19.145 -36.469 1.00 0.00 N ATOM 715 CA THR A 50 33.797 -18.114 -36.995 1.00 0.00 C ATOM 716 C THR A 50 34.320 -16.726 -36.620 1.00 0.00 C ATOM 717 O THR A 50 34.489 -15.868 -37.485 1.00 0.00 O ATOM 718 CB THR A 50 32.382 -18.389 -36.481 1.00 0.00 C ATOM 719 OG1 THR A 50 31.918 -19.460 -37.299 1.00 0.00 O ATOM 720 CG2 THR A 50 31.416 -17.243 -36.785 1.00 0.00 C ATOM 0 H THR A 50 34.214 -19.830 -35.869 1.00 0.00 H new ATOM 0 HA THR A 50 33.773 -18.134 -38.085 1.00 0.00 H new ATOM 0 HB THR A 50 32.414 -18.561 -35.405 1.00 0.00 H new ATOM 0 HG1 THR A 50 31.007 -19.704 -37.033 1.00 0.00 H new ATOM 0 HG21 THR A 50 30.427 -17.489 -36.399 1.00 0.00 H new ATOM 0 HG22 THR A 50 31.774 -16.330 -36.310 1.00 0.00 H new ATOM 0 HG23 THR A 50 31.358 -17.092 -37.863 1.00 0.00 H new ATOM 728 N ALA A 51 34.562 -16.549 -35.329 1.00 0.00 N ATOM 729 CA ALA A 51 35.063 -15.280 -34.829 1.00 0.00 C ATOM 730 C ALA A 51 36.290 -14.864 -35.643 1.00 0.00 C ATOM 731 O ALA A 51 36.398 -13.714 -36.066 1.00 0.00 O ATOM 732 CB ALA A 51 35.370 -15.405 -33.336 1.00 0.00 C ATOM 0 H ALA A 51 34.420 -17.263 -34.615 1.00 0.00 H new ATOM 0 HA ALA A 51 34.311 -14.499 -34.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 35.746 -14.453 -32.961 1.00 0.00 H new ATOM 0 HB2 ALA A 51 34.460 -15.673 -32.799 1.00 0.00 H new ATOM 0 HB3 ALA A 51 36.123 -16.178 -33.183 1.00 0.00 H new ATOM 738 N CYS A 52 37.183 -15.823 -35.839 1.00 0.00 N ATOM 739 CA CYS A 52 38.398 -15.571 -36.595 1.00 0.00 C ATOM 740 C CYS A 52 38.020 -14.830 -37.879 1.00 0.00 C ATOM 741 O CYS A 52 38.499 -13.724 -38.126 1.00 0.00 O ATOM 742 CB CYS A 52 39.162 -16.864 -36.886 1.00 0.00 C ATOM 743 SG CYS A 52 40.602 -17.006 -35.766 1.00 0.00 S ATOM 0 H CYS A 52 37.089 -16.776 -35.487 1.00 0.00 H new ATOM 0 HA CYS A 52 39.074 -14.952 -36.005 1.00 0.00 H new ATOM 0 HB2 CYS A 52 38.503 -17.723 -36.755 1.00 0.00 H new ATOM 0 HB3 CYS A 52 39.496 -16.873 -37.924 1.00 0.00 H new ATOM 0 HG CYS A 52 41.242 -18.108 -36.020 1.00 0.00 H new ATOM 749 N ASP A 53 37.164 -15.468 -38.662 1.00 0.00 N ATOM 750 CA ASP A 53 36.716 -14.884 -39.915 1.00 0.00 C ATOM 751 C ASP A 53 36.407 -13.401 -39.699 1.00 0.00 C ATOM 752 O ASP A 53 36.832 -12.554 -40.484 1.00 0.00 O ATOM 753 CB ASP A 53 35.440 -15.564 -40.415 1.00 0.00 C ATOM 754 CG ASP A 53 35.010 -15.173 -41.830 1.00 0.00 C ATOM 755 OD1 ASP A 53 35.156 -13.975 -42.157 1.00 0.00 O ATOM 756 OD2 ASP A 53 34.546 -16.080 -42.554 1.00 0.00 O ATOM 0 H ASP A 53 36.768 -16.385 -38.453 1.00 0.00 H new ATOM 0 HA ASP A 53 37.508 -15.018 -40.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 35.585 -16.644 -40.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 34.628 -15.329 -39.727 1.00 0.00 H new ATOM 761 N TRP A 54 35.671 -13.132 -38.631 1.00 0.00 N ATOM 762 CA TRP A 54 35.301 -11.766 -38.302 1.00 0.00 C ATOM 763 C TRP A 54 36.585 -10.983 -38.020 1.00 0.00 C ATOM 764 O TRP A 54 36.815 -9.928 -38.609 1.00 0.00 O ATOM 765 CB TRP A 54 34.312 -11.731 -37.135 1.00 0.00 C ATOM 766 CG TRP A 54 33.819 -10.328 -36.778 1.00 0.00 C ATOM 767 CD1 TRP A 54 32.678 -9.733 -37.154 1.00 0.00 C ATOM 768 CD2 TRP A 54 34.502 -9.360 -35.954 1.00 0.00 C ATOM 769 NE1 TRP A 54 32.576 -8.459 -36.635 1.00 0.00 N ATOM 770 CE2 TRP A 54 33.721 -8.225 -35.881 1.00 0.00 C ATOM 771 CE3 TRP A 54 35.739 -9.442 -35.291 1.00 0.00 C ATOM 772 CZ2 TRP A 54 34.090 -7.085 -35.156 1.00 0.00 C ATOM 773 CZ3 TRP A 54 36.094 -8.295 -34.571 1.00 0.00 C ATOM 774 CH2 TRP A 54 35.318 -7.144 -34.488 1.00 0.00 C ATOM 0 H TRP A 54 35.321 -13.837 -37.982 1.00 0.00 H new ATOM 0 HA TRP A 54 34.782 -11.296 -39.137 1.00 0.00 H new ATOM 0 HB2 TRP A 54 33.453 -12.355 -37.382 1.00 0.00 H new ATOM 0 HB3 TRP A 54 34.785 -12.173 -36.258 1.00 0.00 H new ATOM 0 HD1 TRP A 54 31.932 -10.194 -37.784 1.00 0.00 H new ATOM 0 HE1 TRP A 54 31.803 -7.809 -36.778 1.00 0.00 H new ATOM 0 HE3 TRP A 54 36.366 -10.320 -35.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 33.461 -6.208 -35.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 37.036 -8.305 -34.043 1.00 0.00 H new ATOM 0 HH2 TRP A 54 35.662 -6.299 -33.910 1.00 0.00 H new ATOM 785 N LEU A 55 37.388 -11.530 -37.119 1.00 0.00 N ATOM 786 CA LEU A 55 38.643 -10.896 -36.751 1.00 0.00 C ATOM 787 C LEU A 55 39.327 -10.363 -38.011 1.00 0.00 C ATOM 788 O LEU A 55 39.447 -9.152 -38.192 1.00 0.00 O ATOM 789 CB LEU A 55 39.512 -11.858 -35.939 1.00 0.00 C ATOM 790 CG LEU A 55 39.409 -11.734 -34.418 1.00 0.00 C ATOM 791 CD1 LEU A 55 39.642 -13.086 -33.741 1.00 0.00 C ATOM 792 CD2 LEU A 55 40.359 -10.657 -33.890 1.00 0.00 C ATOM 0 H LEU A 55 37.194 -12.405 -36.633 1.00 0.00 H new ATOM 0 HA LEU A 55 38.462 -10.041 -36.099 1.00 0.00 H new ATOM 0 HB2 LEU A 55 39.249 -12.878 -36.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 40.553 -11.707 -36.226 1.00 0.00 H new ATOM 0 HG LEU A 55 38.396 -11.419 -34.169 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.563 -12.970 -32.660 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.893 -13.799 -34.085 1.00 0.00 H new ATOM 0 HD13 LEU A 55 40.636 -13.454 -33.995 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.266 -10.589 -32.806 1.00 0.00 H new ATOM 0 HD22 LEU A 55 41.385 -10.917 -34.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.104 -9.696 -34.337 1.00 0.00 H new ATOM 804 N PHE A 56 39.760 -11.293 -38.850 1.00 0.00 N ATOM 805 CA PHE A 56 40.430 -10.931 -40.088 1.00 0.00 C ATOM 806 C PHE A 56 39.584 -9.951 -40.903 1.00 0.00 C ATOM 807 O PHE A 56 40.077 -8.910 -41.335 1.00 0.00 O ATOM 808 CB PHE A 56 40.611 -12.221 -40.891 1.00 0.00 C ATOM 809 CG PHE A 56 41.302 -13.345 -40.116 1.00 0.00 C ATOM 810 CD1 PHE A 56 42.469 -13.101 -39.461 1.00 0.00 C ATOM 811 CD2 PHE A 56 40.750 -14.587 -40.083 1.00 0.00 C ATOM 812 CE1 PHE A 56 43.111 -14.144 -38.742 1.00 0.00 C ATOM 813 CE2 PHE A 56 41.392 -15.630 -39.364 1.00 0.00 C ATOM 814 CZ PHE A 56 42.558 -15.387 -38.709 1.00 0.00 C ATOM 0 H PHE A 56 39.660 -12.296 -38.697 1.00 0.00 H new ATOM 0 HA PHE A 56 41.383 -10.450 -39.869 1.00 0.00 H new ATOM 0 HB2 PHE A 56 39.633 -12.570 -41.223 1.00 0.00 H new ATOM 0 HB3 PHE A 56 41.192 -12.001 -41.787 1.00 0.00 H new ATOM 0 HD1 PHE A 56 42.907 -12.114 -39.488 1.00 0.00 H new ATOM 0 HD2 PHE A 56 39.824 -14.780 -40.603 1.00 0.00 H new ATOM 0 HE1 PHE A 56 44.038 -13.951 -38.222 1.00 0.00 H new ATOM 0 HE2 PHE A 56 40.954 -16.617 -39.338 1.00 0.00 H new ATOM 0 HZ PHE A 56 43.046 -16.181 -38.162 1.00 0.00 H new