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 136:sc= -0.826 (180deg=-2.97!) 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 81:sc= 1.22 USER MOD Single : A 43 THR OG1 : rot -139:sc= -0.114 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 -89:sc= 0.092 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 40.336 -7.203 14.896 1.00 0.00 N ATOM 298 CA ALA A 22 41.410 -8.059 15.370 1.00 0.00 C ATOM 299 C ALA A 22 40.915 -9.505 15.434 1.00 0.00 C ATOM 300 O ALA A 22 41.628 -10.427 15.042 1.00 0.00 O ATOM 301 CB ALA A 22 41.905 -7.552 16.726 1.00 0.00 C ATOM 0 HA ALA A 22 42.255 -8.031 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 42.711 -8.194 17.082 1.00 0.00 H new ATOM 0 HB2 ALA A 22 42.273 -6.532 16.621 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.084 -7.569 17.443 1.00 0.00 H new ATOM 307 N LEU A 23 39.696 -9.658 15.931 1.00 0.00 N ATOM 308 CA LEU A 23 39.097 -10.976 16.052 1.00 0.00 C ATOM 309 C LEU A 23 38.700 -11.480 14.663 1.00 0.00 C ATOM 310 O LEU A 23 39.007 -12.614 14.298 1.00 0.00 O ATOM 311 CB LEU A 23 37.939 -10.949 17.050 1.00 0.00 C ATOM 312 CG LEU A 23 36.883 -12.044 16.882 1.00 0.00 C ATOM 313 CD1 LEU A 23 37.520 -13.433 16.933 1.00 0.00 C ATOM 314 CD2 LEU A 23 35.763 -11.889 17.914 1.00 0.00 C ATOM 0 H LEU A 23 39.107 -8.891 16.255 1.00 0.00 H new ATOM 0 HA LEU A 23 39.818 -11.686 16.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 38.351 -11.021 18.057 1.00 0.00 H new ATOM 0 HB3 LEU A 23 37.444 -9.980 16.976 1.00 0.00 H new ATOM 0 HG LEU A 23 36.431 -11.933 15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 23 36.747 -14.192 16.811 1.00 0.00 H new ATOM 0 HD12 LEU A 23 38.251 -13.528 16.130 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.016 -13.571 17.894 1.00 0.00 H new ATOM 0 HD21 LEU A 23 35.026 -12.679 17.773 1.00 0.00 H new ATOM 0 HD22 LEU A 23 36.181 -11.958 18.918 1.00 0.00 H new ATOM 0 HD23 LEU A 23 35.283 -10.919 17.787 1.00 0.00 H new ATOM 326 N ASP A 24 38.023 -10.612 13.925 1.00 0.00 N ATOM 327 CA ASP A 24 37.581 -10.955 12.584 1.00 0.00 C ATOM 328 C ASP A 24 38.786 -11.393 11.750 1.00 0.00 C ATOM 329 O ASP A 24 38.657 -12.231 10.858 1.00 0.00 O ATOM 330 CB ASP A 24 36.940 -9.750 11.891 1.00 0.00 C ATOM 331 CG ASP A 24 35.869 -10.096 10.854 1.00 0.00 C ATOM 332 OD1 ASP A 24 34.753 -10.452 11.288 1.00 0.00 O ATOM 333 OD2 ASP A 24 36.192 -9.995 9.650 1.00 0.00 O ATOM 0 H ASP A 24 37.770 -9.672 14.230 1.00 0.00 H new ATOM 0 HA ASP A 24 36.848 -11.757 12.666 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.495 -9.107 12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.724 -9.171 11.403 1.00 0.00 H new ATOM 338 N VAL A 25 39.931 -10.808 12.070 1.00 0.00 N ATOM 339 CA VAL A 25 41.159 -11.127 11.362 1.00 0.00 C ATOM 340 C VAL A 25 41.490 -12.607 11.567 1.00 0.00 C ATOM 341 O VAL A 25 41.646 -13.352 10.601 1.00 0.00 O ATOM 342 CB VAL A 25 42.283 -10.194 11.815 1.00 0.00 C ATOM 343 CG1 VAL A 25 43.615 -10.588 11.173 1.00 0.00 C ATOM 344 CG2 VAL A 25 41.939 -8.734 11.514 1.00 0.00 C ATOM 0 H VAL A 25 40.034 -10.114 12.811 1.00 0.00 H new ATOM 0 HA VAL A 25 41.035 -10.966 10.291 1.00 0.00 H new ATOM 0 HB VAL A 25 42.389 -10.297 12.895 1.00 0.00 H new ATOM 0 HG11 VAL A 25 44.397 -9.909 11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 25 43.870 -11.608 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 25 43.528 -10.529 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 25 42.755 -8.092 11.846 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.792 -8.609 10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 41.024 -8.460 12.040 1.00 0.00 H new ATOM 354 N LEU A 26 41.589 -12.988 12.832 1.00 0.00 N ATOM 355 CA LEU A 26 41.899 -14.365 13.177 1.00 0.00 C ATOM 356 C LEU A 26 40.917 -15.298 12.465 1.00 0.00 C ATOM 357 O LEU A 26 41.315 -16.331 11.929 1.00 0.00 O ATOM 358 CB LEU A 26 41.926 -14.544 14.696 1.00 0.00 C ATOM 359 CG LEU A 26 43.180 -14.035 15.409 1.00 0.00 C ATOM 360 CD1 LEU A 26 42.827 -13.407 16.759 1.00 0.00 C ATOM 361 CD2 LEU A 26 44.221 -15.148 15.549 1.00 0.00 C ATOM 0 H LEU A 26 41.460 -12.367 13.631 1.00 0.00 H new ATOM 0 HA LEU A 26 42.898 -14.629 12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 26 41.060 -14.034 15.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 41.811 -15.605 14.919 1.00 0.00 H new ATOM 0 HG LEU A 26 43.627 -13.252 14.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 43.736 -13.053 17.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 42.149 -12.568 16.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 42.344 -14.152 17.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 45.102 -14.760 16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 26 43.799 -15.970 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 26 44.504 -15.508 14.560 1.00 0.00 H new ATOM 373 N LEU A 27 39.653 -14.900 12.483 1.00 0.00 N ATOM 374 CA LEU A 27 38.612 -15.688 11.846 1.00 0.00 C ATOM 375 C LEU A 27 38.958 -15.885 10.369 1.00 0.00 C ATOM 376 O LEU A 27 38.746 -16.963 9.817 1.00 0.00 O ATOM 377 CB LEU A 27 37.241 -15.049 12.076 1.00 0.00 C ATOM 378 CG LEU A 27 36.767 -14.981 13.529 1.00 0.00 C ATOM 379 CD1 LEU A 27 35.446 -14.217 13.641 1.00 0.00 C ATOM 380 CD2 LEU A 27 36.673 -16.381 14.141 1.00 0.00 C ATOM 0 H LEU A 27 39.327 -14.042 12.929 1.00 0.00 H new ATOM 0 HA LEU A 27 38.556 -16.680 12.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 37.263 -14.036 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 36.502 -15.605 11.499 1.00 0.00 H new ATOM 0 HG LEU A 27 37.509 -14.427 14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 27 35.132 -14.184 14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 27 35.581 -13.201 13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 27 34.683 -14.721 13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.334 -16.304 15.174 1.00 0.00 H new ATOM 0 HD22 LEU A 27 35.964 -16.981 13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 27 37.654 -16.856 14.115 1.00 0.00 H new ATOM 392 N SER A 28 39.486 -14.827 9.772 1.00 0.00 N ATOM 393 CA SER A 28 39.865 -14.870 8.370 1.00 0.00 C ATOM 394 C SER A 28 40.999 -15.876 8.165 1.00 0.00 C ATOM 395 O SER A 28 41.029 -16.588 7.162 1.00 0.00 O ATOM 396 CB SER A 28 40.285 -13.487 7.869 1.00 0.00 C ATOM 397 OG SER A 28 40.059 -13.333 6.471 1.00 0.00 O ATOM 0 H SER A 28 39.660 -13.934 10.234 1.00 0.00 H new ATOM 0 HA SER A 28 38.997 -15.187 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 28 39.731 -12.721 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 28 41.342 -13.329 8.085 1.00 0.00 H new ATOM 0 HG SER A 28 40.339 -12.436 6.191 1.00 0.00 H new ATOM 403 N MET A 29 41.906 -15.902 9.130 1.00 0.00 N ATOM 404 CA MET A 29 43.040 -16.808 9.068 1.00 0.00 C ATOM 405 C MET A 29 42.578 -18.266 9.094 1.00 0.00 C ATOM 406 O MET A 29 43.294 -19.156 8.637 1.00 0.00 O ATOM 407 CB MET A 29 43.969 -16.546 10.255 1.00 0.00 C ATOM 408 CG MET A 29 44.939 -15.402 9.950 1.00 0.00 C ATOM 409 SD MET A 29 46.136 -15.249 11.265 1.00 0.00 S ATOM 410 CE MET A 29 45.505 -13.798 12.091 1.00 0.00 C ATOM 0 H MET A 29 41.879 -15.310 9.960 1.00 0.00 H new ATOM 0 HA MET A 29 43.572 -16.631 8.133 1.00 0.00 H new ATOM 0 HB2 MET A 29 43.378 -16.301 11.137 1.00 0.00 H new ATOM 0 HB3 MET A 29 44.530 -17.451 10.489 1.00 0.00 H new ATOM 0 HG2 MET A 29 45.448 -15.588 9.004 1.00 0.00 H new ATOM 0 HG3 MET A 29 44.389 -14.468 9.838 1.00 0.00 H new ATOM 0 HE1 MET A 29 45.520 -13.957 13.169 1.00 0.00 H new ATOM 0 HE2 MET A 29 46.127 -12.938 11.842 1.00 0.00 H new ATOM 0 HE3 MET A 29 44.481 -13.611 11.767 1.00 0.00 H new ATOM 420 N GLY A 30 41.384 -18.466 9.633 1.00 0.00 N ATOM 421 CA GLY A 30 40.818 -19.801 9.724 1.00 0.00 C ATOM 422 C GLY A 30 40.733 -20.263 11.180 1.00 0.00 C ATOM 423 O GLY A 30 40.665 -21.460 11.453 1.00 0.00 O ATOM 0 H GLY A 30 40.793 -17.726 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 30 39.824 -19.809 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 30 41.430 -20.499 9.153 1.00 0.00 H new ATOM 427 N PHE A 31 40.740 -19.288 12.078 1.00 0.00 N ATOM 428 CA PHE A 31 40.665 -19.579 13.499 1.00 0.00 C ATOM 429 C PHE A 31 39.243 -19.375 14.026 1.00 0.00 C ATOM 430 O PHE A 31 38.529 -18.484 13.567 1.00 0.00 O ATOM 431 CB PHE A 31 41.603 -18.599 14.207 1.00 0.00 C ATOM 432 CG PHE A 31 43.088 -18.921 14.027 1.00 0.00 C ATOM 433 CD1 PHE A 31 43.714 -18.616 12.859 1.00 0.00 C ATOM 434 CD2 PHE A 31 43.783 -19.512 15.036 1.00 0.00 C ATOM 435 CE1 PHE A 31 45.092 -18.914 12.692 1.00 0.00 C ATOM 436 CE2 PHE A 31 45.161 -19.810 14.870 1.00 0.00 C ATOM 437 CZ PHE A 31 45.787 -19.505 13.702 1.00 0.00 C ATOM 0 H PHE A 31 40.796 -18.296 11.848 1.00 0.00 H new ATOM 0 HA PHE A 31 40.947 -20.616 13.681 1.00 0.00 H new ATOM 0 HB2 PHE A 31 41.412 -17.593 13.833 1.00 0.00 H new ATOM 0 HB3 PHE A 31 41.369 -18.593 15.272 1.00 0.00 H new ATOM 0 HD1 PHE A 31 43.162 -18.147 12.058 1.00 0.00 H new ATOM 0 HD2 PHE A 31 43.286 -19.755 15.964 1.00 0.00 H new ATOM 0 HE1 PHE A 31 45.589 -18.672 11.764 1.00 0.00 H new ATOM 0 HE2 PHE A 31 45.712 -20.279 15.672 1.00 0.00 H new ATOM 0 HZ PHE A 31 46.835 -19.732 13.576 1.00 0.00 H new ATOM 447 N PRO A 32 38.864 -20.237 15.007 1.00 0.00 N ATOM 448 CA PRO A 32 37.540 -20.160 15.601 1.00 0.00 C ATOM 449 C PRO A 32 37.437 -18.971 16.559 1.00 0.00 C ATOM 450 O PRO A 32 38.358 -18.709 17.331 1.00 0.00 O ATOM 451 CB PRO A 32 37.341 -21.498 16.293 1.00 0.00 C ATOM 452 CG PRO A 32 38.730 -22.093 16.458 1.00 0.00 C ATOM 453 CD PRO A 32 39.683 -21.304 15.575 1.00 0.00 C ATOM 0 HA PRO A 32 36.757 -19.988 14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 32 36.854 -21.369 17.260 1.00 0.00 H new ATOM 0 HB3 PRO A 32 36.703 -22.153 15.700 1.00 0.00 H new ATOM 0 HG2 PRO A 32 39.045 -22.043 17.500 1.00 0.00 H new ATOM 0 HG3 PRO A 32 38.730 -23.146 16.175 1.00 0.00 H new ATOM 0 HD2 PRO A 32 40.515 -20.900 16.152 1.00 0.00 H new ATOM 0 HD3 PRO A 32 40.112 -21.932 14.794 1.00 0.00 H new ATOM 461 N ARG A 33 36.308 -18.282 16.477 1.00 0.00 N ATOM 462 CA ARG A 33 36.073 -17.127 17.326 1.00 0.00 C ATOM 463 C ARG A 33 36.613 -17.385 18.734 1.00 0.00 C ATOM 464 O ARG A 33 37.410 -16.603 19.250 1.00 0.00 O ATOM 465 CB ARG A 33 34.580 -16.801 17.411 1.00 0.00 C ATOM 466 CG ARG A 33 34.336 -15.576 18.294 1.00 0.00 C ATOM 467 CD ARG A 33 33.348 -14.612 17.633 1.00 0.00 C ATOM 468 NE ARG A 33 32.688 -13.779 18.663 1.00 0.00 N ATOM 469 CZ ARG A 33 31.817 -12.798 18.391 1.00 0.00 C ATOM 470 NH1 ARG A 33 31.495 -12.522 17.120 1.00 0.00 N ATOM 471 NH2 ARG A 33 31.267 -12.094 19.389 1.00 0.00 N ATOM 0 H ARG A 33 35.546 -18.502 15.835 1.00 0.00 H new ATOM 0 HA ARG A 33 36.594 -16.278 16.883 1.00 0.00 H new ATOM 0 HB2 ARG A 33 34.187 -16.617 16.411 1.00 0.00 H new ATOM 0 HB3 ARG A 33 34.039 -17.658 17.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 33.948 -15.893 19.262 1.00 0.00 H new ATOM 0 HG3 ARG A 33 35.280 -15.064 18.481 1.00 0.00 H new ATOM 0 HD2 ARG A 33 33.871 -13.976 16.919 1.00 0.00 H new ATOM 0 HD3 ARG A 33 32.600 -15.173 17.073 1.00 0.00 H new ATOM 0 HE ARG A 33 32.910 -13.963 19.641 1.00 0.00 H new ATOM 0 HH11 ARG A 33 31.913 -13.059 16.360 1.00 0.00 H new ATOM 0 HH12 ARG A 33 30.832 -11.775 16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 33 31.511 -12.305 20.357 1.00 0.00 H new ATOM 0 HH22 ARG A 33 30.604 -11.347 19.181 1.00 0.00 H new ATOM 485 N ALA A 34 36.157 -18.484 19.316 1.00 0.00 N ATOM 486 CA ALA A 34 36.585 -18.855 20.655 1.00 0.00 C ATOM 487 C ALA A 34 38.103 -18.694 20.763 1.00 0.00 C ATOM 488 O ALA A 34 38.591 -17.913 21.578 1.00 0.00 O ATOM 489 CB ALA A 34 36.126 -20.282 20.961 1.00 0.00 C ATOM 0 H ALA A 34 35.495 -19.130 18.885 1.00 0.00 H new ATOM 0 HA ALA A 34 36.130 -18.201 21.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 36.447 -20.560 21.965 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.039 -20.336 20.900 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.565 -20.968 20.237 1.00 0.00 H new ATOM 495 N ARG A 35 38.806 -19.447 19.930 1.00 0.00 N ATOM 496 CA ARG A 35 40.258 -19.398 19.922 1.00 0.00 C ATOM 497 C ARG A 35 40.741 -17.951 20.036 1.00 0.00 C ATOM 498 O ARG A 35 41.432 -17.597 20.991 1.00 0.00 O ATOM 499 CB ARG A 35 40.823 -20.018 18.642 1.00 0.00 C ATOM 500 CG ARG A 35 41.758 -21.186 18.965 1.00 0.00 C ATOM 501 CD ARG A 35 41.003 -22.311 19.675 1.00 0.00 C ATOM 502 NE ARG A 35 41.867 -23.508 19.787 1.00 0.00 N ATOM 503 CZ ARG A 35 41.483 -24.662 20.348 1.00 0.00 C ATOM 504 NH1 ARG A 35 40.247 -24.784 20.850 1.00 0.00 N ATOM 505 NH2 ARG A 35 42.334 -25.695 20.405 1.00 0.00 N ATOM 0 H ARG A 35 38.397 -20.094 19.256 1.00 0.00 H new ATOM 0 HA ARG A 35 40.614 -19.972 20.778 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.005 -20.366 18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 35 41.364 -19.261 18.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 42.203 -21.566 18.045 1.00 0.00 H new ATOM 0 HG3 ARG A 35 42.576 -20.838 19.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.692 -21.982 20.667 1.00 0.00 H new ATOM 0 HD3 ARG A 35 40.096 -22.557 19.122 1.00 0.00 H new ATOM 0 HE ARG A 35 42.814 -23.450 19.413 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.598 -23.998 20.805 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.955 -25.663 21.277 1.00 0.00 H new ATOM 0 HH21 ARG A 35 43.275 -25.603 20.021 1.00 0.00 H new ATOM 0 HH22 ARG A 35 42.041 -26.574 20.832 1.00 0.00 H new ATOM 519 N ALA A 36 40.359 -17.153 19.050 1.00 0.00 N ATOM 520 CA ALA A 36 40.745 -15.753 19.027 1.00 0.00 C ATOM 521 C ALA A 36 40.271 -15.077 20.316 1.00 0.00 C ATOM 522 O ALA A 36 40.997 -14.278 20.905 1.00 0.00 O ATOM 523 CB ALA A 36 40.173 -15.085 17.775 1.00 0.00 C ATOM 0 H ALA A 36 39.786 -17.450 18.260 1.00 0.00 H new ATOM 0 HA ALA A 36 41.830 -15.655 18.982 1.00 0.00 H new ATOM 0 HB1 ALA A 36 40.463 -14.034 17.758 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.562 -15.583 16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 39.086 -15.161 17.787 1.00 0.00 H new ATOM 529 N GLN A 37 39.056 -15.423 20.716 1.00 0.00 N ATOM 530 CA GLN A 37 38.477 -14.861 21.923 1.00 0.00 C ATOM 531 C GLN A 37 39.364 -15.171 23.131 1.00 0.00 C ATOM 532 O GLN A 37 39.919 -14.262 23.748 1.00 0.00 O ATOM 533 CB GLN A 37 37.054 -15.377 22.141 1.00 0.00 C ATOM 534 CG GLN A 37 36.042 -14.546 21.350 1.00 0.00 C ATOM 535 CD GLN A 37 35.183 -13.692 22.285 1.00 0.00 C ATOM 536 OE1 GLN A 37 35.577 -12.626 22.731 1.00 0.00 O ATOM 537 NE2 GLN A 37 33.992 -14.217 22.556 1.00 0.00 N ATOM 0 H GLN A 37 38.457 -16.086 20.225 1.00 0.00 H new ATOM 0 HA GLN A 37 38.421 -13.779 21.806 1.00 0.00 H new ATOM 0 HB2 GLN A 37 36.991 -16.421 21.835 1.00 0.00 H new ATOM 0 HB3 GLN A 37 36.809 -15.341 23.202 1.00 0.00 H new ATOM 0 HG2 GLN A 37 36.567 -13.903 20.644 1.00 0.00 H new ATOM 0 HG3 GLN A 37 35.402 -15.206 20.765 1.00 0.00 H new ATOM 0 HE21 GLN A 37 33.725 -15.113 22.149 1.00 0.00 H new ATOM 0 HE22 GLN A 37 33.345 -13.723 23.171 1.00 0.00 H new ATOM 546 N LYS A 38 39.469 -16.456 23.433 1.00 0.00 N ATOM 547 CA LYS A 38 40.278 -16.897 24.557 1.00 0.00 C ATOM 548 C LYS A 38 41.614 -16.151 24.542 1.00 0.00 C ATOM 549 O LYS A 38 42.016 -15.571 25.549 1.00 0.00 O ATOM 550 CB LYS A 38 40.425 -18.420 24.546 1.00 0.00 C ATOM 551 CG LYS A 38 40.799 -18.945 25.934 1.00 0.00 C ATOM 552 CD LYS A 38 40.497 -20.440 26.054 1.00 0.00 C ATOM 553 CE LYS A 38 41.265 -21.062 27.223 1.00 0.00 C ATOM 554 NZ LYS A 38 41.095 -22.532 27.231 1.00 0.00 N ATOM 0 H LYS A 38 39.007 -17.207 22.919 1.00 0.00 H new ATOM 0 HA LYS A 38 39.786 -16.653 25.499 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.490 -18.877 24.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 41.190 -18.710 23.825 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.858 -18.768 26.120 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.245 -18.396 26.696 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.427 -20.588 26.197 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.767 -20.945 25.127 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.323 -20.813 27.144 1.00 0.00 H new ATOM 0 HE3 LYS A 38 40.908 -20.644 28.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.622 -22.938 28.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.086 -22.764 27.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.457 -22.928 26.340 1.00 0.00 H new ATOM 568 N ALA A 39 42.264 -16.189 23.388 1.00 0.00 N ATOM 569 CA ALA A 39 43.545 -15.523 23.228 1.00 0.00 C ATOM 570 C ALA A 39 43.385 -14.035 23.546 1.00 0.00 C ATOM 571 O ALA A 39 43.994 -13.528 24.486 1.00 0.00 O ATOM 572 CB ALA A 39 44.073 -15.764 21.813 1.00 0.00 C ATOM 0 H ALA A 39 41.927 -16.671 22.555 1.00 0.00 H new ATOM 0 HA ALA A 39 44.279 -15.931 23.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 45.034 -15.264 21.693 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.198 -16.834 21.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 43.364 -15.366 21.087 1.00 0.00 H new ATOM 578 N LEU A 40 42.562 -13.377 22.743 1.00 0.00 N ATOM 579 CA LEU A 40 42.314 -11.957 22.926 1.00 0.00 C ATOM 580 C LEU A 40 42.194 -11.654 24.421 1.00 0.00 C ATOM 581 O LEU A 40 43.021 -10.936 24.981 1.00 0.00 O ATOM 582 CB LEU A 40 41.098 -11.516 22.109 1.00 0.00 C ATOM 583 CG LEU A 40 41.331 -11.324 20.609 1.00 0.00 C ATOM 584 CD1 LEU A 40 40.065 -11.644 19.812 1.00 0.00 C ATOM 585 CD2 LEU A 40 41.857 -9.919 20.311 1.00 0.00 C ATOM 0 H LEU A 40 42.058 -13.801 21.964 1.00 0.00 H new ATOM 0 HA LEU A 40 43.152 -11.371 22.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 40.308 -12.255 22.242 1.00 0.00 H new ATOM 0 HB3 LEU A 40 40.729 -10.577 22.522 1.00 0.00 H new ATOM 0 HG LEU A 40 42.099 -12.029 20.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 40.258 -11.499 18.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.775 -12.679 19.991 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.259 -10.982 20.128 1.00 0.00 H new ATOM 0 HD21 LEU A 40 42.014 -9.809 19.238 1.00 0.00 H new ATOM 0 HD22 LEU A 40 41.131 -9.179 20.649 1.00 0.00 H new ATOM 0 HD23 LEU A 40 42.801 -9.766 20.833 1.00 0.00 H new ATOM 597 N ALA A 41 41.157 -12.216 25.025 1.00 0.00 N ATOM 598 CA ALA A 41 40.918 -12.015 26.444 1.00 0.00 C ATOM 599 C ALA A 41 42.250 -12.070 27.194 1.00 0.00 C ATOM 600 O ALA A 41 42.634 -11.108 27.856 1.00 0.00 O ATOM 601 CB ALA A 41 39.921 -13.061 26.947 1.00 0.00 C ATOM 0 H ALA A 41 40.473 -12.811 24.557 1.00 0.00 H new ATOM 0 HA ALA A 41 40.479 -11.034 26.624 1.00 0.00 H new ATOM 0 HB1 ALA A 41 39.742 -12.910 28.012 1.00 0.00 H new ATOM 0 HB2 ALA A 41 38.982 -12.960 26.403 1.00 0.00 H new ATOM 0 HB3 ALA A 41 40.328 -14.059 26.785 1.00 0.00 H new ATOM 607 N SER A 42 42.918 -13.207 27.065 1.00 0.00 N ATOM 608 CA SER A 42 44.200 -13.401 27.722 1.00 0.00 C ATOM 609 C SER A 42 45.069 -12.153 27.553 1.00 0.00 C ATOM 610 O SER A 42 45.555 -11.593 28.534 1.00 0.00 O ATOM 611 CB SER A 42 44.922 -14.631 27.169 1.00 0.00 C ATOM 612 OG SER A 42 44.067 -15.769 27.105 1.00 0.00 O ATOM 0 H SER A 42 42.596 -14.003 26.515 1.00 0.00 H new ATOM 0 HA SER A 42 44.018 -13.568 28.784 1.00 0.00 H new ATOM 0 HB2 SER A 42 45.305 -14.409 26.173 1.00 0.00 H new ATOM 0 HB3 SER A 42 45.783 -14.859 27.798 1.00 0.00 H new ATOM 0 HG SER A 42 43.517 -15.720 26.295 1.00 0.00 H new ATOM 618 N THR A 43 45.238 -11.755 26.300 1.00 0.00 N ATOM 619 CA THR A 43 46.040 -10.584 25.990 1.00 0.00 C ATOM 620 C THR A 43 45.148 -9.350 25.844 1.00 0.00 C ATOM 621 O THR A 43 45.444 -8.456 25.052 1.00 0.00 O ATOM 622 CB THR A 43 46.861 -10.892 24.736 1.00 0.00 C ATOM 623 OG1 THR A 43 45.888 -11.290 23.773 1.00 0.00 O ATOM 624 CG2 THR A 43 47.746 -12.129 24.904 1.00 0.00 C ATOM 0 H THR A 43 44.833 -12.222 25.489 1.00 0.00 H new ATOM 0 HA THR A 43 46.731 -10.352 26.800 1.00 0.00 H new ATOM 0 HB THR A 43 47.483 -10.032 24.490 1.00 0.00 H new ATOM 0 HG1 THR A 43 46.229 -12.052 23.260 1.00 0.00 H new ATOM 0 HG21 THR A 43 48.307 -12.303 23.986 1.00 0.00 H new ATOM 0 HG22 THR A 43 48.441 -11.970 25.729 1.00 0.00 H new ATOM 0 HG23 THR A 43 47.122 -12.997 25.117 1.00 0.00 H new ATOM 632 N GLY A 44 44.074 -9.340 26.619 1.00 0.00 N ATOM 633 CA GLY A 44 43.137 -8.231 26.586 1.00 0.00 C ATOM 634 C GLY A 44 42.403 -8.173 25.245 1.00 0.00 C ATOM 635 O GLY A 44 41.343 -8.776 25.087 1.00 0.00 O ATOM 0 H GLY A 44 43.832 -10.083 27.274 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.415 -8.336 27.396 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.670 -7.295 26.754 1.00 0.00 H new ATOM 639 N GLY A 45 42.995 -7.440 24.314 1.00 0.00 N ATOM 640 CA GLY A 45 42.411 -7.296 22.991 1.00 0.00 C ATOM 641 C GLY A 45 42.950 -6.049 22.287 1.00 0.00 C ATOM 642 O GLY A 45 42.196 -5.123 21.993 1.00 0.00 O ATOM 0 H GLY A 45 43.873 -6.939 24.449 1.00 0.00 H new ATOM 0 HA2 GLY A 45 42.633 -8.180 22.393 1.00 0.00 H new ATOM 0 HA3 GLY A 45 41.326 -7.231 23.073 1.00 0.00 H new ATOM 646 N ARG A 46 44.251 -6.066 22.036 1.00 0.00 N ATOM 647 CA ARG A 46 44.900 -4.948 21.372 1.00 0.00 C ATOM 648 C ARG A 46 45.303 -5.339 19.949 1.00 0.00 C ATOM 649 O ARG A 46 44.900 -4.689 18.985 1.00 0.00 O ATOM 650 CB ARG A 46 46.143 -4.497 22.141 1.00 0.00 C ATOM 651 CG ARG A 46 46.363 -2.990 21.991 1.00 0.00 C ATOM 652 CD ARG A 46 47.575 -2.699 21.103 1.00 0.00 C ATOM 653 NE ARG A 46 47.128 -2.191 19.787 1.00 0.00 N ATOM 654 CZ ARG A 46 47.952 -1.927 18.764 1.00 0.00 C ATOM 655 NH1 ARG A 46 49.271 -2.121 18.900 1.00 0.00 N ATOM 656 NH2 ARG A 46 47.458 -1.468 17.606 1.00 0.00 N ATOM 0 H ARG A 46 44.873 -6.836 22.281 1.00 0.00 H new ATOM 0 HA ARG A 46 44.189 -4.123 21.339 1.00 0.00 H new ATOM 0 HB2 ARG A 46 46.034 -4.749 23.196 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.017 -5.034 21.774 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.473 -2.530 21.561 1.00 0.00 H new ATOM 0 HG3 ARG A 46 46.511 -2.541 22.973 1.00 0.00 H new ATOM 0 HD2 ARG A 46 48.221 -1.965 21.585 1.00 0.00 H new ATOM 0 HD3 ARG A 46 48.165 -3.606 20.971 1.00 0.00 H new ATOM 0 HE ARG A 46 46.130 -2.032 19.650 1.00 0.00 H new ATOM 0 HH11 ARG A 46 49.647 -2.469 19.782 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.899 -1.920 18.122 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.454 -1.319 17.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 48.086 -1.267 16.828 1.00 0.00 H new ATOM 670 N SER A 47 46.094 -6.398 19.861 1.00 0.00 N ATOM 671 CA SER A 47 46.556 -6.882 18.572 1.00 0.00 C ATOM 672 C SER A 47 46.362 -8.397 18.482 1.00 0.00 C ATOM 673 O SER A 47 46.116 -9.056 19.491 1.00 0.00 O ATOM 674 CB SER A 47 48.025 -6.521 18.342 1.00 0.00 C ATOM 675 OG SER A 47 48.214 -5.115 18.206 1.00 0.00 O ATOM 0 H SER A 47 46.427 -6.935 20.662 1.00 0.00 H new ATOM 0 HA SER A 47 45.965 -6.399 17.794 1.00 0.00 H new ATOM 0 HB2 SER A 47 48.623 -6.888 19.176 1.00 0.00 H new ATOM 0 HB3 SER A 47 48.386 -7.024 17.445 1.00 0.00 H new ATOM 0 HG SER A 47 49.165 -4.925 18.062 1.00 0.00 H new ATOM 681 N VAL A 48 46.480 -8.905 17.264 1.00 0.00 N ATOM 682 CA VAL A 48 46.320 -10.330 17.028 1.00 0.00 C ATOM 683 C VAL A 48 47.666 -11.030 17.230 1.00 0.00 C ATOM 684 O VAL A 48 47.712 -12.185 17.649 1.00 0.00 O ATOM 685 CB VAL A 48 45.725 -10.568 15.639 1.00 0.00 C ATOM 686 CG1 VAL A 48 44.232 -10.232 15.617 1.00 0.00 C ATOM 687 CG2 VAL A 48 46.482 -9.772 14.575 1.00 0.00 C ATOM 0 H VAL A 48 46.685 -8.355 16.430 1.00 0.00 H new ATOM 0 HA VAL A 48 45.619 -10.759 17.744 1.00 0.00 H new ATOM 0 HB VAL A 48 45.833 -11.627 15.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 43.834 -10.410 14.618 1.00 0.00 H new ATOM 0 HG12 VAL A 48 43.707 -10.862 16.335 1.00 0.00 H new ATOM 0 HG13 VAL A 48 44.091 -9.184 15.883 1.00 0.00 H new ATOM 0 HG21 VAL A 48 46.039 -9.959 13.597 1.00 0.00 H new ATOM 0 HG22 VAL A 48 46.420 -8.708 14.804 1.00 0.00 H new ATOM 0 HG23 VAL A 48 47.527 -10.081 14.565 1.00 0.00 H new ATOM 697 N GLN A 49 48.728 -10.300 16.922 1.00 0.00 N ATOM 698 CA GLN A 49 50.071 -10.837 17.064 1.00 0.00 C ATOM 699 C GLN A 49 50.239 -11.491 18.436 1.00 0.00 C ATOM 700 O GLN A 49 50.594 -12.665 18.529 1.00 0.00 O ATOM 701 CB GLN A 49 51.122 -9.747 16.844 1.00 0.00 C ATOM 702 CG GLN A 49 52.276 -10.264 15.983 1.00 0.00 C ATOM 703 CD GLN A 49 52.573 -9.303 14.830 1.00 0.00 C ATOM 704 OE1 GLN A 49 52.230 -9.543 13.684 1.00 0.00 O ATOM 705 NE2 GLN A 49 53.229 -8.206 15.196 1.00 0.00 N ATOM 0 H GLN A 49 48.686 -9.342 16.575 1.00 0.00 H new ATOM 0 HA GLN A 49 50.219 -11.600 16.300 1.00 0.00 H new ATOM 0 HB2 GLN A 49 50.661 -8.885 16.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 51.505 -9.407 17.806 1.00 0.00 H new ATOM 0 HG2 GLN A 49 53.167 -10.386 16.598 1.00 0.00 H new ATOM 0 HG3 GLN A 49 52.026 -11.248 15.586 1.00 0.00 H new ATOM 0 HE21 GLN A 49 53.486 -8.068 16.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 53.475 -7.503 14.499 1.00 0.00 H new ATOM 714 N THR A 50 49.975 -10.704 19.469 1.00 0.00 N ATOM 715 CA THR A 50 50.092 -11.192 20.832 1.00 0.00 C ATOM 716 C THR A 50 49.233 -12.443 21.026 1.00 0.00 C ATOM 717 O THR A 50 49.677 -13.419 21.629 1.00 0.00 O ATOM 718 CB THR A 50 49.722 -10.048 21.778 1.00 0.00 C ATOM 719 OG1 THR A 50 50.292 -10.431 23.026 1.00 0.00 O ATOM 720 CG2 THR A 50 48.219 -9.983 22.059 1.00 0.00 C ATOM 0 H THR A 50 49.680 -9.731 19.389 1.00 0.00 H new ATOM 0 HA THR A 50 51.114 -11.499 21.055 1.00 0.00 H new ATOM 0 HB THR A 50 50.052 -9.102 21.349 1.00 0.00 H new ATOM 0 HG1 THR A 50 50.101 -9.743 23.698 1.00 0.00 H new ATOM 0 HG21 THR A 50 48.011 -9.154 22.735 1.00 0.00 H new ATOM 0 HG22 THR A 50 47.680 -9.832 21.124 1.00 0.00 H new ATOM 0 HG23 THR A 50 47.894 -10.916 22.518 1.00 0.00 H new ATOM 728 N ALA A 51 48.017 -12.374 20.503 1.00 0.00 N ATOM 729 CA ALA A 51 47.092 -13.489 20.611 1.00 0.00 C ATOM 730 C ALA A 51 47.736 -14.741 20.013 1.00 0.00 C ATOM 731 O ALA A 51 47.769 -15.792 20.652 1.00 0.00 O ATOM 732 CB ALA A 51 45.774 -13.126 19.924 1.00 0.00 C ATOM 0 H ALA A 51 47.651 -11.563 20.004 1.00 0.00 H new ATOM 0 HA ALA A 51 46.868 -13.702 21.656 1.00 0.00 H new ATOM 0 HB1 ALA A 51 45.079 -13.962 20.005 1.00 0.00 H new ATOM 0 HB2 ALA A 51 45.343 -12.248 20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 51 45.960 -12.909 18.872 1.00 0.00 H new ATOM 738 N CYS A 52 48.232 -14.588 18.794 1.00 0.00 N ATOM 739 CA CYS A 52 48.874 -15.693 18.103 1.00 0.00 C ATOM 740 C CYS A 52 49.869 -16.347 19.063 1.00 0.00 C ATOM 741 O CYS A 52 49.752 -17.532 19.371 1.00 0.00 O ATOM 742 CB CYS A 52 49.547 -15.235 16.807 1.00 0.00 C ATOM 743 SG CYS A 52 48.478 -15.627 15.374 1.00 0.00 S ATOM 0 H CYS A 52 48.202 -13.715 18.267 1.00 0.00 H new ATOM 0 HA CYS A 52 48.123 -16.425 17.806 1.00 0.00 H new ATOM 0 HB2 CYS A 52 49.738 -14.163 16.846 1.00 0.00 H new ATOM 0 HB3 CYS A 52 50.513 -15.727 16.696 1.00 0.00 H new ATOM 0 HG CYS A 52 48.751 -16.823 14.944 1.00 0.00 H new ATOM 749 N ASP A 53 50.826 -15.547 19.508 1.00 0.00 N ATOM 750 CA ASP A 53 51.841 -16.034 20.427 1.00 0.00 C ATOM 751 C ASP A 53 51.177 -16.890 21.506 1.00 0.00 C ATOM 752 O ASP A 53 51.552 -18.045 21.705 1.00 0.00 O ATOM 753 CB ASP A 53 52.560 -14.873 21.119 1.00 0.00 C ATOM 754 CG ASP A 53 54.081 -15.011 21.200 1.00 0.00 C ATOM 755 OD1 ASP A 53 54.582 -16.056 20.732 1.00 0.00 O ATOM 756 OD2 ASP A 53 54.709 -14.067 21.728 1.00 0.00 O ATOM 0 H ASP A 53 50.920 -14.565 19.250 1.00 0.00 H new ATOM 0 HA ASP A 53 52.564 -16.616 19.855 1.00 0.00 H new ATOM 0 HB2 ASP A 53 52.322 -13.950 20.590 1.00 0.00 H new ATOM 0 HB3 ASP A 53 52.165 -14.772 22.130 1.00 0.00 H new ATOM 761 N TRP A 54 50.204 -16.291 22.176 1.00 0.00 N ATOM 762 CA TRP A 54 49.484 -16.985 23.231 1.00 0.00 C ATOM 763 C TRP A 54 48.918 -18.280 22.644 1.00 0.00 C ATOM 764 O TRP A 54 49.189 -19.367 23.153 1.00 0.00 O ATOM 765 CB TRP A 54 48.408 -16.086 23.843 1.00 0.00 C ATOM 766 CG TRP A 54 47.659 -16.723 25.016 1.00 0.00 C ATOM 767 CD1 TRP A 54 47.902 -16.580 26.326 1.00 0.00 C ATOM 768 CD2 TRP A 54 46.527 -17.614 24.930 1.00 0.00 C ATOM 769 NE1 TRP A 54 47.014 -17.311 27.088 1.00 0.00 N ATOM 770 CE2 TRP A 54 46.151 -17.960 26.212 1.00 0.00 C ATOM 771 CE3 TRP A 54 45.843 -18.111 23.807 1.00 0.00 C ATOM 772 CZ2 TRP A 54 45.079 -18.817 26.492 1.00 0.00 C ATOM 773 CZ3 TRP A 54 44.775 -18.967 24.103 1.00 0.00 C ATOM 774 CH2 TRP A 54 44.384 -19.324 25.388 1.00 0.00 C ATOM 0 H TRP A 54 49.897 -15.333 22.009 1.00 0.00 H new ATOM 0 HA TRP A 54 50.154 -17.239 24.053 1.00 0.00 H new ATOM 0 HB2 TRP A 54 48.872 -15.160 24.181 1.00 0.00 H new ATOM 0 HB3 TRP A 54 47.689 -15.818 23.069 1.00 0.00 H new ATOM 0 HD1 TRP A 54 48.694 -15.969 26.734 1.00 0.00 H new ATOM 0 HE1 TRP A 54 46.994 -17.365 28.106 1.00 0.00 H new ATOM 0 HE3 TRP A 54 46.119 -17.853 22.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 44.804 -19.073 27.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 44.216 -19.378 23.275 1.00 0.00 H new ATOM 0 HH2 TRP A 54 43.547 -19.990 25.534 1.00 0.00 H new ATOM 785 N LEU A 55 48.143 -18.122 21.582 1.00 0.00 N ATOM 786 CA LEU A 55 47.536 -19.265 20.921 1.00 0.00 C ATOM 787 C LEU A 55 48.551 -20.408 20.856 1.00 0.00 C ATOM 788 O LEU A 55 48.402 -21.414 21.548 1.00 0.00 O ATOM 789 CB LEU A 55 46.978 -18.860 19.555 1.00 0.00 C ATOM 790 CG LEU A 55 45.545 -18.324 19.548 1.00 0.00 C ATOM 791 CD1 LEU A 55 45.369 -17.244 18.479 1.00 0.00 C ATOM 792 CD2 LEU A 55 44.535 -19.461 19.385 1.00 0.00 C ATOM 0 H LEU A 55 47.921 -17.219 21.162 1.00 0.00 H new ATOM 0 HA LEU A 55 46.682 -19.627 21.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 47.632 -18.099 19.129 1.00 0.00 H new ATOM 0 HB3 LEU A 55 47.024 -19.726 18.895 1.00 0.00 H new ATOM 0 HG LEU A 55 45.351 -17.857 20.513 1.00 0.00 H new ATOM 0 HD11 LEU A 55 44.342 -16.880 18.495 1.00 0.00 H new ATOM 0 HD12 LEU A 55 46.050 -16.417 18.681 1.00 0.00 H new ATOM 0 HD13 LEU A 55 45.590 -17.664 17.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 43.524 -19.053 19.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 44.719 -19.979 18.444 1.00 0.00 H new ATOM 0 HD23 LEU A 55 44.641 -20.163 20.212 1.00 0.00 H new ATOM 804 N PHE A 56 49.559 -20.215 20.018 1.00 0.00 N ATOM 805 CA PHE A 56 50.598 -21.218 19.854 1.00 0.00 C ATOM 806 C PHE A 56 51.209 -21.600 21.204 1.00 0.00 C ATOM 807 O PHE A 56 51.309 -22.781 21.532 1.00 0.00 O ATOM 808 CB PHE A 56 51.684 -20.597 18.973 1.00 0.00 C ATOM 809 CG PHE A 56 51.160 -20.009 17.661 1.00 0.00 C ATOM 810 CD1 PHE A 56 50.271 -20.711 16.909 1.00 0.00 C ATOM 811 CD2 PHE A 56 51.583 -18.785 17.248 1.00 0.00 C ATOM 812 CE1 PHE A 56 49.784 -20.165 15.691 1.00 0.00 C ATOM 813 CE2 PHE A 56 51.097 -18.239 16.031 1.00 0.00 C ATOM 814 CZ PHE A 56 50.208 -18.941 15.278 1.00 0.00 C ATOM 0 H PHE A 56 49.678 -19.379 19.445 1.00 0.00 H new ATOM 0 HA PHE A 56 50.178 -22.119 19.407 1.00 0.00 H new ATOM 0 HB2 PHE A 56 52.189 -19.811 19.535 1.00 0.00 H new ATOM 0 HB3 PHE A 56 52.432 -21.357 18.746 1.00 0.00 H new ATOM 0 HD1 PHE A 56 49.935 -21.683 17.237 1.00 0.00 H new ATOM 0 HD2 PHE A 56 52.289 -18.228 17.846 1.00 0.00 H new ATOM 0 HE1 PHE A 56 49.077 -20.722 15.094 1.00 0.00 H new ATOM 0 HE2 PHE A 56 51.433 -17.266 15.703 1.00 0.00 H new ATOM 0 HZ PHE A 56 49.839 -18.526 14.352 1.00 0.00 H new