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 Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 165:sc= -0.741 (180deg=-1.08) 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 179:sc= 1.54 USER MOD Single : A 43 THR OG1 : rot -140:sc= -0.0814 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -3! C(o=-3!,f=-6.7!) USER MOD Single : A 50 THR OG1 : rot 160:sc= -0.0236 USER MOD Single : A 52 CYS SG : rot -89:sc= 0.0781 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 -20.650 11.406 12.122 1.00 0.00 N ATOM 298 CA ALA A 22 -20.130 12.038 13.322 1.00 0.00 C ATOM 299 C ALA A 22 -19.715 10.958 14.323 1.00 0.00 C ATOM 300 O ALA A 22 -18.681 11.077 14.978 1.00 0.00 O ATOM 301 CB ALA A 22 -21.181 12.991 13.894 1.00 0.00 C ATOM 0 HA ALA A 22 -19.245 12.631 13.091 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.791 13.465 14.794 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.419 13.756 13.155 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.083 12.432 14.141 1.00 0.00 H new ATOM 307 N LEU A 23 -20.544 9.928 14.410 1.00 0.00 N ATOM 308 CA LEU A 23 -20.277 8.827 15.321 1.00 0.00 C ATOM 309 C LEU A 23 -19.019 8.087 14.864 1.00 0.00 C ATOM 310 O LEU A 23 -18.062 7.953 15.625 1.00 0.00 O ATOM 311 CB LEU A 23 -21.508 7.927 15.449 1.00 0.00 C ATOM 312 CG LEU A 23 -21.234 6.463 15.800 1.00 0.00 C ATOM 313 CD1 LEU A 23 -20.368 6.353 17.056 1.00 0.00 C ATOM 314 CD2 LEU A 23 -22.541 5.678 15.934 1.00 0.00 C ATOM 0 H LEU A 23 -21.401 9.832 13.865 1.00 0.00 H new ATOM 0 HA LEU A 23 -20.080 9.202 16.325 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -22.163 8.347 16.213 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -22.056 7.958 14.507 1.00 0.00 H new ATOM 0 HG LEU A 23 -20.671 6.015 14.981 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -20.188 5.302 17.283 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -19.416 6.856 16.887 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.882 6.823 17.895 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.318 4.641 16.184 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.151 6.118 16.723 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -23.086 5.715 14.991 1.00 0.00 H new ATOM 326 N ASP A 24 -19.060 7.625 13.622 1.00 0.00 N ATOM 327 CA ASP A 24 -17.935 6.902 13.055 1.00 0.00 C ATOM 328 C ASP A 24 -16.639 7.650 13.375 1.00 0.00 C ATOM 329 O ASP A 24 -15.644 7.038 13.761 1.00 0.00 O ATOM 330 CB ASP A 24 -18.057 6.799 11.533 1.00 0.00 C ATOM 331 CG ASP A 24 -18.453 5.418 11.008 1.00 0.00 C ATOM 332 OD1 ASP A 24 -18.399 4.466 11.817 1.00 0.00 O ATOM 333 OD2 ASP A 24 -18.801 5.344 9.810 1.00 0.00 O ATOM 0 H ASP A 24 -19.855 7.738 12.993 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.927 5.901 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -18.795 7.526 11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -17.103 7.081 11.087 1.00 0.00 H new ATOM 338 N VAL A 25 -16.694 8.963 13.204 1.00 0.00 N ATOM 339 CA VAL A 25 -15.537 9.801 13.470 1.00 0.00 C ATOM 340 C VAL A 25 -14.997 9.488 14.867 1.00 0.00 C ATOM 341 O VAL A 25 -13.807 9.222 15.032 1.00 0.00 O ATOM 342 CB VAL A 25 -15.905 11.275 13.287 1.00 0.00 C ATOM 343 CG1 VAL A 25 -14.738 12.184 13.678 1.00 0.00 C ATOM 344 CG2 VAL A 25 -16.360 11.552 11.853 1.00 0.00 C ATOM 0 H VAL A 25 -17.521 9.467 12.885 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.739 9.589 12.758 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.740 11.497 13.952 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.026 13.226 13.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.480 12.016 14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.875 11.959 13.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.616 12.607 11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.555 11.304 11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.234 10.943 11.625 1.00 0.00 H new ATOM 354 N LEU A 26 -15.898 9.531 15.838 1.00 0.00 N ATOM 355 CA LEU A 26 -15.527 9.256 17.216 1.00 0.00 C ATOM 356 C LEU A 26 -14.860 7.881 17.295 1.00 0.00 C ATOM 357 O LEU A 26 -13.878 7.704 18.014 1.00 0.00 O ATOM 358 CB LEU A 26 -16.739 9.406 18.137 1.00 0.00 C ATOM 359 CG LEU A 26 -17.077 10.832 18.573 1.00 0.00 C ATOM 360 CD1 LEU A 26 -18.562 10.962 18.921 1.00 0.00 C ATOM 361 CD2 LEU A 26 -16.177 11.282 19.726 1.00 0.00 C ATOM 0 H LEU A 26 -16.884 9.752 15.698 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.797 9.985 17.567 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.609 8.986 17.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -16.568 8.805 19.030 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.883 11.500 17.734 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.776 11.986 19.228 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.164 10.712 18.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.806 10.281 19.736 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.439 12.300 20.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.315 10.615 20.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.135 11.252 19.407 1.00 0.00 H new ATOM 373 N LEU A 27 -15.421 6.943 16.546 1.00 0.00 N ATOM 374 CA LEU A 27 -14.893 5.589 16.522 1.00 0.00 C ATOM 375 C LEU A 27 -13.454 5.617 16.004 1.00 0.00 C ATOM 376 O LEU A 27 -12.623 4.815 16.428 1.00 0.00 O ATOM 377 CB LEU A 27 -15.817 4.668 15.723 1.00 0.00 C ATOM 378 CG LEU A 27 -17.270 4.599 16.197 1.00 0.00 C ATOM 379 CD1 LEU A 27 -18.144 3.864 15.180 1.00 0.00 C ATOM 380 CD2 LEU A 27 -17.362 3.973 17.591 1.00 0.00 C ATOM 0 H LEU A 27 -16.236 7.094 15.951 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.861 5.174 17.529 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.810 4.993 14.683 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.401 3.661 15.745 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.653 5.616 16.274 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.172 3.829 15.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.113 4.390 14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.772 2.848 15.047 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.405 3.936 17.905 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.955 2.962 17.564 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.792 4.575 18.298 1.00 0.00 H new ATOM 392 N SER A 28 -13.203 6.548 15.096 1.00 0.00 N ATOM 393 CA SER A 28 -11.878 6.690 14.516 1.00 0.00 C ATOM 394 C SER A 28 -10.923 7.310 15.538 1.00 0.00 C ATOM 395 O SER A 28 -9.731 7.008 15.541 1.00 0.00 O ATOM 396 CB SER A 28 -11.922 7.542 13.246 1.00 0.00 C ATOM 397 OG SER A 28 -10.616 7.846 12.762 1.00 0.00 O ATOM 0 H SER A 28 -13.895 7.212 14.747 1.00 0.00 H new ATOM 0 HA SER A 28 -11.515 5.699 14.244 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.481 7.013 12.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.458 8.469 13.450 1.00 0.00 H new ATOM 0 HG SER A 28 -10.687 8.390 11.950 1.00 0.00 H new ATOM 403 N MET A 29 -11.484 8.164 16.382 1.00 0.00 N ATOM 404 CA MET A 29 -10.697 8.828 17.407 1.00 0.00 C ATOM 405 C MET A 29 -10.197 7.826 18.450 1.00 0.00 C ATOM 406 O MET A 29 -9.211 8.083 19.140 1.00 0.00 O ATOM 407 CB MET A 29 -11.550 9.897 18.093 1.00 0.00 C ATOM 408 CG MET A 29 -11.472 11.227 17.340 1.00 0.00 C ATOM 409 SD MET A 29 -12.294 12.506 18.275 1.00 0.00 S ATOM 410 CE MET A 29 -13.697 12.812 17.215 1.00 0.00 C ATOM 0 H MET A 29 -12.474 8.411 16.377 1.00 0.00 H new ATOM 0 HA MET A 29 -9.832 9.291 16.932 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.587 9.563 18.143 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.210 10.035 19.119 1.00 0.00 H new ATOM 0 HG2 MET A 29 -10.430 11.500 17.173 1.00 0.00 H new ATOM 0 HG3 MET A 29 -11.936 11.127 16.359 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.449 13.381 17.762 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.376 13.379 16.341 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.124 11.862 16.894 1.00 0.00 H new ATOM 420 N GLY A 30 -10.900 6.706 18.532 1.00 0.00 N ATOM 421 CA GLY A 30 -10.540 5.665 19.479 1.00 0.00 C ATOM 422 C GLY A 30 -11.588 5.545 20.587 1.00 0.00 C ATOM 423 O GLY A 30 -11.283 5.093 21.690 1.00 0.00 O ATOM 0 H GLY A 30 -11.717 6.497 17.958 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.445 4.712 18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.567 5.887 19.917 1.00 0.00 H new ATOM 427 N PHE A 31 -12.803 5.957 20.255 1.00 0.00 N ATOM 428 CA PHE A 31 -13.898 5.902 21.208 1.00 0.00 C ATOM 429 C PHE A 31 -14.906 4.817 20.823 1.00 0.00 C ATOM 430 O PHE A 31 -15.141 4.576 19.640 1.00 0.00 O ATOM 431 CB PHE A 31 -14.593 7.264 21.171 1.00 0.00 C ATOM 432 CG PHE A 31 -13.782 8.394 21.809 1.00 0.00 C ATOM 433 CD1 PHE A 31 -12.809 9.020 21.094 1.00 0.00 C ATOM 434 CD2 PHE A 31 -14.035 8.772 23.091 1.00 0.00 C ATOM 435 CE1 PHE A 31 -12.057 10.069 21.686 1.00 0.00 C ATOM 436 CE2 PHE A 31 -13.282 9.821 23.683 1.00 0.00 C ATOM 437 CZ PHE A 31 -12.309 10.447 22.968 1.00 0.00 C ATOM 0 H PHE A 31 -13.053 6.330 19.339 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.515 5.668 22.201 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -14.806 7.524 20.134 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.552 7.185 21.683 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.608 8.719 20.076 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.808 8.275 23.658 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.285 10.567 21.118 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.482 10.121 24.701 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.736 11.244 23.418 1.00 0.00 H new ATOM 447 N PRO A 32 -15.491 4.177 21.870 1.00 0.00 N ATOM 448 CA PRO A 32 -16.468 3.124 21.653 1.00 0.00 C ATOM 449 C PRO A 32 -17.813 3.707 21.214 1.00 0.00 C ATOM 450 O PRO A 32 -18.240 4.743 21.722 1.00 0.00 O ATOM 451 CB PRO A 32 -16.546 2.380 22.976 1.00 0.00 C ATOM 452 CG PRO A 32 -15.963 3.321 24.018 1.00 0.00 C ATOM 453 CD PRO A 32 -15.237 4.437 23.284 1.00 0.00 C ATOM 0 HA PRO A 32 -16.185 2.447 20.847 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.577 2.120 23.218 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.983 1.447 22.933 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.753 3.729 24.648 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -15.277 2.786 24.674 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.613 5.416 23.580 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -14.169 4.426 23.503 1.00 0.00 H new ATOM 461 N ARG A 33 -18.444 3.016 20.276 1.00 0.00 N ATOM 462 CA ARG A 33 -19.732 3.452 19.764 1.00 0.00 C ATOM 463 C ARG A 33 -20.598 3.997 20.900 1.00 0.00 C ATOM 464 O ARG A 33 -20.947 5.177 20.909 1.00 0.00 O ATOM 465 CB ARG A 33 -20.469 2.301 19.076 1.00 0.00 C ATOM 466 CG ARG A 33 -21.915 2.688 18.759 1.00 0.00 C ATOM 467 CD ARG A 33 -22.597 1.612 17.911 1.00 0.00 C ATOM 468 NE ARG A 33 -23.378 0.703 18.780 1.00 0.00 N ATOM 469 CZ ARG A 33 -23.776 -0.524 18.418 1.00 0.00 C ATOM 470 NH1 ARG A 33 -23.469 -0.996 17.202 1.00 0.00 N ATOM 471 NH2 ARG A 33 -24.481 -1.279 19.272 1.00 0.00 N ATOM 0 H ARG A 33 -18.087 2.157 19.857 1.00 0.00 H new ATOM 0 HA ARG A 33 -19.549 4.240 19.033 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -19.951 2.031 18.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.457 1.421 19.719 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -22.469 2.830 19.687 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -21.933 3.640 18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -23.253 2.078 17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -21.849 1.045 17.357 1.00 0.00 H new ATOM 0 HE ARG A 33 -23.629 1.031 19.713 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -22.932 -0.421 16.552 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -23.772 -1.930 16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -24.715 -0.919 20.198 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -24.784 -2.213 18.996 1.00 0.00 H new ATOM 485 N ALA A 34 -20.921 3.112 21.832 1.00 0.00 N ATOM 486 CA ALA A 34 -21.741 3.490 22.971 1.00 0.00 C ATOM 487 C ALA A 34 -21.312 4.873 23.466 1.00 0.00 C ATOM 488 O ALA A 34 -22.131 5.786 23.554 1.00 0.00 O ATOM 489 CB ALA A 34 -21.627 2.420 24.059 1.00 0.00 C ATOM 0 H ALA A 34 -20.630 2.135 21.822 1.00 0.00 H new ATOM 0 HA ALA A 34 -22.791 3.553 22.684 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -22.242 2.703 24.913 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.971 1.463 23.666 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -20.587 2.331 24.374 1.00 0.00 H new ATOM 495 N ARG A 35 -20.028 4.983 23.776 1.00 0.00 N ATOM 496 CA ARG A 35 -19.481 6.239 24.260 1.00 0.00 C ATOM 497 C ARG A 35 -19.981 7.402 23.401 1.00 0.00 C ATOM 498 O ARG A 35 -20.678 8.288 23.894 1.00 0.00 O ATOM 499 CB ARG A 35 -17.951 6.218 24.237 1.00 0.00 C ATOM 500 CG ARG A 35 -17.380 6.299 25.654 1.00 0.00 C ATOM 501 CD ARG A 35 -17.752 5.057 26.467 1.00 0.00 C ATOM 502 NE ARG A 35 -16.529 4.407 26.988 1.00 0.00 N ATOM 503 CZ ARG A 35 -15.806 4.880 28.013 1.00 0.00 C ATOM 504 NH1 ARG A 35 -16.180 6.007 28.633 1.00 0.00 N ATOM 505 NH2 ARG A 35 -14.710 4.224 28.418 1.00 0.00 N ATOM 0 H ARG A 35 -19.351 4.223 23.701 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.816 6.372 25.289 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.604 5.305 23.753 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -17.581 7.054 23.644 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.295 6.396 25.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -17.759 7.191 26.152 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -18.406 5.336 27.294 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.308 4.357 25.843 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.217 3.546 26.539 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.015 6.505 28.325 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.630 6.367 29.413 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.426 3.365 27.946 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.159 4.583 29.198 1.00 0.00 H new ATOM 519 N ALA A 36 -19.606 7.363 22.131 1.00 0.00 N ATOM 520 CA ALA A 36 -20.008 8.402 21.199 1.00 0.00 C ATOM 521 C ALA A 36 -21.534 8.502 21.180 1.00 0.00 C ATOM 522 O ALA A 36 -22.088 9.600 21.161 1.00 0.00 O ATOM 523 CB ALA A 36 -19.426 8.101 19.817 1.00 0.00 C ATOM 0 H ALA A 36 -19.027 6.627 21.725 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.619 9.370 21.513 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.728 8.881 19.118 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.338 8.070 19.879 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.797 7.137 19.468 1.00 0.00 H new ATOM 529 N GLN A 37 -22.171 7.340 21.187 1.00 0.00 N ATOM 530 CA GLN A 37 -23.623 7.283 21.171 1.00 0.00 C ATOM 531 C GLN A 37 -24.199 8.075 22.347 1.00 0.00 C ATOM 532 O GLN A 37 -24.896 9.069 22.148 1.00 0.00 O ATOM 533 CB GLN A 37 -24.115 5.834 21.193 1.00 0.00 C ATOM 534 CG GLN A 37 -24.334 5.308 19.773 1.00 0.00 C ATOM 535 CD GLN A 37 -25.821 5.079 19.497 1.00 0.00 C ATOM 536 OE1 GLN A 37 -26.512 5.918 18.942 1.00 0.00 O ATOM 537 NE2 GLN A 37 -26.274 3.900 19.914 1.00 0.00 N ATOM 0 H GLN A 37 -21.708 6.431 21.204 1.00 0.00 H new ATOM 0 HA GLN A 37 -23.974 7.738 20.245 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -23.388 5.207 21.709 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -25.046 5.771 21.756 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -23.932 6.019 19.052 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -23.787 4.375 19.639 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -25.642 3.244 20.372 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -27.254 3.652 19.776 1.00 0.00 H new ATOM 546 N LYS A 38 -23.886 7.605 23.545 1.00 0.00 N ATOM 547 CA LYS A 38 -24.363 8.258 24.753 1.00 0.00 C ATOM 548 C LYS A 38 -24.165 9.769 24.623 1.00 0.00 C ATOM 549 O LYS A 38 -25.108 10.539 24.800 1.00 0.00 O ATOM 550 CB LYS A 38 -23.693 7.654 25.989 1.00 0.00 C ATOM 551 CG LYS A 38 -24.673 7.575 27.161 1.00 0.00 C ATOM 552 CD LYS A 38 -24.584 6.218 27.860 1.00 0.00 C ATOM 553 CE LYS A 38 -24.584 6.383 29.381 1.00 0.00 C ATOM 554 NZ LYS A 38 -23.208 6.271 29.914 1.00 0.00 N ATOM 0 H LYS A 38 -23.308 6.780 23.706 1.00 0.00 H new ATOM 0 HA LYS A 38 -25.432 8.086 24.882 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.320 6.657 25.754 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.831 8.258 26.271 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -24.457 8.370 27.874 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -25.689 7.737 26.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -25.425 5.594 27.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.676 5.702 27.547 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.006 7.352 29.648 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.219 5.623 29.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.226 6.385 30.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.818 5.337 29.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.612 7.012 29.494 1.00 0.00 H new ATOM 568 N ALA A 39 -22.934 10.149 24.315 1.00 0.00 N ATOM 569 CA ALA A 39 -22.601 11.554 24.160 1.00 0.00 C ATOM 570 C ALA A 39 -23.505 12.173 23.092 1.00 0.00 C ATOM 571 O ALA A 39 -24.281 13.082 23.382 1.00 0.00 O ATOM 572 CB ALA A 39 -21.116 11.692 23.818 1.00 0.00 C ATOM 0 H ALA A 39 -22.155 9.507 24.169 1.00 0.00 H new ATOM 0 HA ALA A 39 -22.773 12.094 25.091 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.866 12.747 23.702 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -20.516 11.263 24.621 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -20.906 11.165 22.887 1.00 0.00 H new ATOM 578 N LEU A 40 -23.374 11.656 21.879 1.00 0.00 N ATOM 579 CA LEU A 40 -24.169 12.147 20.767 1.00 0.00 C ATOM 580 C LEU A 40 -25.607 12.378 21.236 1.00 0.00 C ATOM 581 O LEU A 40 -26.111 13.498 21.173 1.00 0.00 O ATOM 582 CB LEU A 40 -24.058 11.200 19.570 1.00 0.00 C ATOM 583 CG LEU A 40 -22.781 11.320 18.736 1.00 0.00 C ATOM 584 CD1 LEU A 40 -22.373 9.962 18.160 1.00 0.00 C ATOM 585 CD2 LEU A 40 -22.935 12.382 17.646 1.00 0.00 C ATOM 0 H LEU A 40 -22.729 10.902 21.642 1.00 0.00 H new ATOM 0 HA LEU A 40 -23.788 13.108 20.421 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -24.136 10.176 19.934 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -24.913 11.371 18.916 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.974 11.647 19.392 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.463 10.075 17.571 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.194 9.260 18.975 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -23.172 9.582 17.523 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -22.013 12.447 17.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.758 12.109 16.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -23.143 13.348 18.106 1.00 0.00 H new ATOM 597 N ALA A 41 -26.226 11.301 21.697 1.00 0.00 N ATOM 598 CA ALA A 41 -27.595 11.373 22.177 1.00 0.00 C ATOM 599 C ALA A 41 -27.773 12.643 23.010 1.00 0.00 C ATOM 600 O ALA A 41 -28.562 13.518 22.655 1.00 0.00 O ATOM 601 CB ALA A 41 -27.926 10.106 22.968 1.00 0.00 C ATOM 0 H ALA A 41 -25.804 10.374 21.748 1.00 0.00 H new ATOM 0 HA ALA A 41 -28.292 11.427 21.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -28.953 10.160 23.328 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -27.813 9.235 22.323 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -27.248 10.020 23.817 1.00 0.00 H new ATOM 607 N SER A 42 -27.027 12.705 24.103 1.00 0.00 N ATOM 608 CA SER A 42 -27.092 13.854 24.990 1.00 0.00 C ATOM 609 C SER A 42 -27.091 15.147 24.172 1.00 0.00 C ATOM 610 O SER A 42 -27.966 15.994 24.343 1.00 0.00 O ATOM 611 CB SER A 42 -25.926 13.852 25.981 1.00 0.00 C ATOM 612 OG SER A 42 -25.791 12.597 26.643 1.00 0.00 O ATOM 0 H SER A 42 -26.374 11.978 24.395 1.00 0.00 H new ATOM 0 HA SER A 42 -28.019 13.793 25.561 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.001 14.085 25.453 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.078 14.638 26.721 1.00 0.00 H new ATOM 0 HG SER A 42 -25.024 12.629 27.253 1.00 0.00 H new ATOM 618 N THR A 43 -26.098 15.259 23.302 1.00 0.00 N ATOM 619 CA THR A 43 -25.972 16.434 22.457 1.00 0.00 C ATOM 620 C THR A 43 -26.713 16.223 21.135 1.00 0.00 C ATOM 621 O THR A 43 -26.339 16.795 20.112 1.00 0.00 O ATOM 622 CB THR A 43 -24.481 16.729 22.278 1.00 0.00 C ATOM 623 OG1 THR A 43 -24.048 15.764 21.324 1.00 0.00 O ATOM 624 CG2 THR A 43 -23.666 16.407 23.532 1.00 0.00 C ATOM 0 H THR A 43 -25.373 14.555 23.164 1.00 0.00 H new ATOM 0 HA THR A 43 -26.438 17.305 22.918 1.00 0.00 H new ATOM 0 HB THR A 43 -24.347 17.779 22.019 1.00 0.00 H new ATOM 0 HG1 THR A 43 -23.164 15.427 21.578 1.00 0.00 H new ATOM 0 HG21 THR A 43 -22.615 16.634 23.351 1.00 0.00 H new ATOM 0 HG22 THR A 43 -24.029 17.008 24.366 1.00 0.00 H new ATOM 0 HG23 THR A 43 -23.772 15.349 23.773 1.00 0.00 H new ATOM 632 N GLY A 44 -27.749 15.400 21.199 1.00 0.00 N ATOM 633 CA GLY A 44 -28.546 15.107 20.020 1.00 0.00 C ATOM 634 C GLY A 44 -27.727 14.335 18.984 1.00 0.00 C ATOM 635 O GLY A 44 -27.756 13.105 18.954 1.00 0.00 O ATOM 0 H GLY A 44 -28.055 14.927 22.049 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -29.422 14.524 20.304 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.910 16.037 19.582 1.00 0.00 H new ATOM 639 N GLY A 45 -27.014 15.088 18.159 1.00 0.00 N ATOM 640 CA GLY A 45 -26.189 14.490 17.123 1.00 0.00 C ATOM 641 C GLY A 45 -25.898 15.494 16.006 1.00 0.00 C ATOM 642 O GLY A 45 -26.245 15.259 14.849 1.00 0.00 O ATOM 0 H GLY A 45 -26.991 16.107 18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.252 14.141 17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.694 13.617 16.710 1.00 0.00 H new ATOM 646 N ARG A 46 -25.264 16.592 16.390 1.00 0.00 N ATOM 647 CA ARG A 46 -24.923 17.632 15.435 1.00 0.00 C ATOM 648 C ARG A 46 -23.419 17.621 15.153 1.00 0.00 C ATOM 649 O ARG A 46 -23.001 17.498 14.002 1.00 0.00 O ATOM 650 CB ARG A 46 -25.326 19.013 15.957 1.00 0.00 C ATOM 651 CG ARG A 46 -26.827 19.250 15.776 1.00 0.00 C ATOM 652 CD ARG A 46 -27.196 20.698 16.105 1.00 0.00 C ATOM 653 NE ARG A 46 -27.892 21.317 14.955 1.00 0.00 N ATOM 654 CZ ARG A 46 -27.959 22.638 14.740 1.00 0.00 C ATOM 655 NH1 ARG A 46 -27.373 23.487 15.595 1.00 0.00 N ATOM 656 NH2 ARG A 46 -28.613 23.110 13.669 1.00 0.00 N ATOM 0 H ARG A 46 -24.977 16.784 17.350 1.00 0.00 H new ATOM 0 HA ARG A 46 -25.471 17.429 14.515 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -25.065 19.097 17.012 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -24.766 19.784 15.428 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -27.114 19.022 14.749 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -27.386 18.573 16.421 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -27.836 20.727 16.987 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -26.297 21.266 16.345 1.00 0.00 H new ATOM 0 HE ARG A 46 -28.349 20.700 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.876 23.128 16.410 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -27.424 24.492 15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.059 22.464 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -28.664 24.115 13.505 1.00 0.00 H new ATOM 670 N SER A 47 -22.647 17.750 16.222 1.00 0.00 N ATOM 671 CA SER A 47 -21.199 17.756 16.103 1.00 0.00 C ATOM 672 C SER A 47 -20.589 16.756 17.087 1.00 0.00 C ATOM 673 O SER A 47 -21.255 16.315 18.022 1.00 0.00 O ATOM 674 CB SER A 47 -20.632 19.156 16.350 1.00 0.00 C ATOM 675 OG SER A 47 -21.024 20.077 15.336 1.00 0.00 O ATOM 0 H SER A 47 -22.997 17.851 17.175 1.00 0.00 H new ATOM 0 HA SER A 47 -20.938 17.461 15.086 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.972 19.519 17.320 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.544 19.104 16.392 1.00 0.00 H new ATOM 0 HG SER A 47 -20.644 20.959 15.530 1.00 0.00 H new ATOM 681 N VAL A 48 -19.330 16.426 16.841 1.00 0.00 N ATOM 682 CA VAL A 48 -18.623 15.485 17.694 1.00 0.00 C ATOM 683 C VAL A 48 -17.978 16.242 18.856 1.00 0.00 C ATOM 684 O VAL A 48 -17.891 15.722 19.968 1.00 0.00 O ATOM 685 CB VAL A 48 -17.613 14.687 16.867 1.00 0.00 C ATOM 686 CG1 VAL A 48 -18.318 13.640 16.001 1.00 0.00 C ATOM 687 CG2 VAL A 48 -16.749 15.615 16.010 1.00 0.00 C ATOM 0 H VAL A 48 -18.781 16.793 16.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.317 14.762 18.122 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.955 14.162 17.559 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -17.577 13.087 15.423 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.869 12.950 16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.011 14.137 15.322 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.040 15.022 15.433 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.386 16.181 15.331 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.204 16.304 16.655 1.00 0.00 H new ATOM 697 N GLN A 49 -17.543 17.458 18.561 1.00 0.00 N ATOM 698 CA GLN A 49 -16.910 18.292 19.568 1.00 0.00 C ATOM 699 C GLN A 49 -17.765 18.336 20.835 1.00 0.00 C ATOM 700 O GLN A 49 -17.261 18.122 21.937 1.00 0.00 O ATOM 701 CB GLN A 49 -16.653 19.701 19.030 1.00 0.00 C ATOM 702 CG GLN A 49 -15.208 19.849 18.549 1.00 0.00 C ATOM 703 CD GLN A 49 -14.973 19.048 17.266 1.00 0.00 C ATOM 704 OE1 GLN A 49 -15.076 17.833 17.235 1.00 0.00 O ATOM 705 NE2 GLN A 49 -14.652 19.795 16.214 1.00 0.00 N ATOM 0 H GLN A 49 -17.617 17.886 17.638 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.945 17.853 19.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.337 19.911 18.208 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.858 20.435 19.810 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.986 20.901 18.371 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.525 19.506 19.326 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.583 20.808 16.310 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.475 19.355 15.311 1.00 0.00 H new ATOM 714 N THR A 50 -19.045 18.615 20.638 1.00 0.00 N ATOM 715 CA THR A 50 -19.975 18.690 21.751 1.00 0.00 C ATOM 716 C THR A 50 -20.002 17.364 22.514 1.00 0.00 C ATOM 717 O THR A 50 -20.165 17.348 23.733 1.00 0.00 O ATOM 718 CB THR A 50 -21.342 19.101 21.199 1.00 0.00 C ATOM 719 OG1 THR A 50 -22.204 19.052 22.333 1.00 0.00 O ATOM 720 CG2 THR A 50 -21.924 18.059 20.242 1.00 0.00 C ATOM 0 H THR A 50 -19.460 18.792 19.723 1.00 0.00 H new ATOM 0 HA THR A 50 -19.662 19.441 22.477 1.00 0.00 H new ATOM 0 HB THR A 50 -21.253 20.057 20.683 1.00 0.00 H new ATOM 0 HG1 THR A 50 -23.003 19.592 22.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 -22.894 18.400 19.879 1.00 0.00 H new ATOM 0 HG22 THR A 50 -21.248 17.923 19.398 1.00 0.00 H new ATOM 0 HG23 THR A 50 -22.045 17.111 20.766 1.00 0.00 H new ATOM 728 N ALA A 51 -19.840 16.284 21.764 1.00 0.00 N ATOM 729 CA ALA A 51 -19.844 14.956 22.354 1.00 0.00 C ATOM 730 C ALA A 51 -18.607 14.793 23.240 1.00 0.00 C ATOM 731 O ALA A 51 -18.714 14.365 24.389 1.00 0.00 O ATOM 732 CB ALA A 51 -19.909 13.904 21.245 1.00 0.00 C ATOM 0 H ALA A 51 -19.705 16.301 20.753 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.722 14.819 22.985 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -19.912 12.908 21.688 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.820 14.045 20.663 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -19.042 14.009 20.593 1.00 0.00 H new ATOM 738 N CYS A 52 -17.462 15.142 22.673 1.00 0.00 N ATOM 739 CA CYS A 52 -16.206 15.040 23.397 1.00 0.00 C ATOM 740 C CYS A 52 -16.400 15.655 24.784 1.00 0.00 C ATOM 741 O CYS A 52 -16.282 14.965 25.796 1.00 0.00 O ATOM 742 CB CYS A 52 -15.058 15.703 22.634 1.00 0.00 C ATOM 743 SG CYS A 52 -14.072 14.434 21.760 1.00 0.00 S ATOM 0 H CYS A 52 -17.377 15.496 21.720 1.00 0.00 H new ATOM 0 HA CYS A 52 -15.928 13.991 23.501 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.454 16.424 21.919 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -14.423 16.256 23.325 1.00 0.00 H new ATOM 0 HG CYS A 52 -13.132 13.998 22.545 1.00 0.00 H new ATOM 749 N ASP A 53 -16.694 16.947 24.788 1.00 0.00 N ATOM 750 CA ASP A 53 -16.906 17.663 26.035 1.00 0.00 C ATOM 751 C ASP A 53 -17.726 16.790 26.986 1.00 0.00 C ATOM 752 O ASP A 53 -17.314 16.544 28.119 1.00 0.00 O ATOM 753 CB ASP A 53 -17.680 18.962 25.799 1.00 0.00 C ATOM 754 CG ASP A 53 -17.576 19.990 26.928 1.00 0.00 C ATOM 755 OD1 ASP A 53 -16.459 20.124 27.473 1.00 0.00 O ATOM 756 OD2 ASP A 53 -18.616 20.618 27.220 1.00 0.00 O ATOM 0 H ASP A 53 -16.790 17.517 23.947 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.930 17.897 26.460 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.321 19.419 24.877 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.731 18.718 25.645 1.00 0.00 H new ATOM 761 N TRP A 54 -18.872 16.345 26.491 1.00 0.00 N ATOM 762 CA TRP A 54 -19.753 15.504 27.284 1.00 0.00 C ATOM 763 C TRP A 54 -18.956 14.280 27.739 1.00 0.00 C ATOM 764 O TRP A 54 -18.868 14.002 28.934 1.00 0.00 O ATOM 765 CB TRP A 54 -21.014 15.138 26.498 1.00 0.00 C ATOM 766 CG TRP A 54 -22.041 14.342 27.305 1.00 0.00 C ATOM 767 CD1 TRP A 54 -23.137 14.799 27.926 1.00 0.00 C ATOM 768 CD2 TRP A 54 -22.022 12.920 27.556 1.00 0.00 C ATOM 769 NE1 TRP A 54 -23.824 13.780 28.555 1.00 0.00 N ATOM 770 CE2 TRP A 54 -23.124 12.602 28.323 1.00 0.00 C ATOM 771 CE3 TRP A 54 -21.104 11.937 27.148 1.00 0.00 C ATOM 772 CZ2 TRP A 54 -23.411 11.299 28.748 1.00 0.00 C ATOM 773 CZ3 TRP A 54 -21.405 10.640 27.581 1.00 0.00 C ATOM 774 CH2 TRP A 54 -22.511 10.303 28.354 1.00 0.00 C ATOM 0 H TRP A 54 -19.211 16.551 25.551 1.00 0.00 H new ATOM 0 HA TRP A 54 -20.104 16.038 28.167 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -21.482 16.053 26.136 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -20.727 14.558 25.621 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -23.444 15.834 27.933 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -24.687 13.874 29.091 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -20.235 12.164 26.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -24.281 11.075 29.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -20.731 9.846 27.295 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -22.674 9.277 28.649 1.00 0.00 H new ATOM 785 N LEU A 55 -18.396 13.582 26.762 1.00 0.00 N ATOM 786 CA LEU A 55 -17.609 12.394 27.048 1.00 0.00 C ATOM 787 C LEU A 55 -16.724 12.655 28.268 1.00 0.00 C ATOM 788 O LEU A 55 -16.913 12.045 29.319 1.00 0.00 O ATOM 789 CB LEU A 55 -16.831 11.956 25.805 1.00 0.00 C ATOM 790 CG LEU A 55 -17.540 10.958 24.887 1.00 0.00 C ATOM 791 CD1 LEU A 55 -17.054 11.100 23.444 1.00 0.00 C ATOM 792 CD2 LEU A 55 -17.382 9.527 25.407 1.00 0.00 C ATOM 0 H LEU A 55 -18.471 13.816 25.772 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.260 11.557 27.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.586 12.844 25.223 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.888 11.516 26.128 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.606 11.187 24.892 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.574 10.379 22.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.260 12.109 23.088 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.981 10.913 23.401 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.895 8.838 24.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.323 9.271 25.451 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.815 9.453 26.405 1.00 0.00 H new ATOM 804 N PHE A 56 -15.775 13.563 28.087 1.00 0.00 N ATOM 805 CA PHE A 56 -14.860 13.912 29.160 1.00 0.00 C ATOM 806 C PHE A 56 -15.623 14.374 30.403 1.00 0.00 C ATOM 807 O PHE A 56 -15.399 13.863 31.500 1.00 0.00 O ATOM 808 CB PHE A 56 -13.993 15.065 28.651 1.00 0.00 C ATOM 809 CG PHE A 56 -13.299 14.779 27.318 1.00 0.00 C ATOM 810 CD1 PHE A 56 -12.677 13.586 27.116 1.00 0.00 C ATOM 811 CD2 PHE A 56 -13.303 15.718 26.334 1.00 0.00 C ATOM 812 CE1 PHE A 56 -12.033 13.321 25.878 1.00 0.00 C ATOM 813 CE2 PHE A 56 -12.659 15.454 25.096 1.00 0.00 C ATOM 814 CZ PHE A 56 -12.038 14.261 24.895 1.00 0.00 C ATOM 0 H PHE A 56 -15.621 14.067 27.214 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.262 13.044 29.436 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.615 15.953 28.542 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.236 15.296 29.401 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.673 12.840 27.897 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -13.796 16.665 26.494 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.540 12.374 25.717 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.662 16.200 24.315 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.548 14.060 23.954 1.00 0.00 H new