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 155:sc= -0.0135 (180deg=-0.23) USER MOD Single : A 37 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -165:sc= 1.93 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00793 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 23.362 -10.097 17.849 1.00 0.00 N ATOM 298 CA ALA A 22 24.425 -10.806 18.542 1.00 0.00 C ATOM 299 C ALA A 22 25.457 -9.797 19.051 1.00 0.00 C ATOM 300 O ALA A 22 25.912 -9.891 20.190 1.00 0.00 O ATOM 301 CB ALA A 22 25.040 -11.846 17.604 1.00 0.00 C ATOM 0 HA ALA A 22 24.031 -11.339 19.407 1.00 0.00 H new ATOM 0 HB1 ALA A 22 25.837 -12.378 18.123 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.273 -12.555 17.294 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.449 -11.347 16.726 1.00 0.00 H new ATOM 307 N LEU A 23 25.796 -8.856 18.182 1.00 0.00 N ATOM 308 CA LEU A 23 26.766 -7.832 18.529 1.00 0.00 C ATOM 309 C LEU A 23 26.163 -6.901 19.583 1.00 0.00 C ATOM 310 O LEU A 23 26.797 -6.610 20.596 1.00 0.00 O ATOM 311 CB LEU A 23 27.252 -7.106 17.273 1.00 0.00 C ATOM 312 CG LEU A 23 27.773 -5.682 17.481 1.00 0.00 C ATOM 313 CD1 LEU A 23 28.873 -5.650 18.544 1.00 0.00 C ATOM 314 CD2 LEU A 23 28.237 -5.070 16.157 1.00 0.00 C ATOM 0 H LEU A 23 25.416 -8.781 17.238 1.00 0.00 H new ATOM 0 HA LEU A 23 27.654 -8.283 18.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.045 -7.699 16.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 26.431 -7.070 16.557 1.00 0.00 H new ATOM 0 HG LEU A 23 26.952 -5.068 17.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 29.226 -4.627 18.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.476 -6.018 19.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 29.703 -6.283 18.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 28.603 -4.058 16.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 29.038 -5.678 15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.401 -5.038 15.458 1.00 0.00 H new ATOM 326 N ASP A 24 24.944 -6.459 19.309 1.00 0.00 N ATOM 327 CA ASP A 24 24.248 -5.567 20.220 1.00 0.00 C ATOM 328 C ASP A 24 24.197 -6.204 21.610 1.00 0.00 C ATOM 329 O ASP A 24 24.303 -5.510 22.620 1.00 0.00 O ATOM 330 CB ASP A 24 22.810 -5.321 19.760 1.00 0.00 C ATOM 331 CG ASP A 24 22.196 -4.003 20.235 1.00 0.00 C ATOM 332 OD1 ASP A 24 22.711 -3.466 21.239 1.00 0.00 O ATOM 333 OD2 ASP A 24 21.225 -3.562 19.582 1.00 0.00 O ATOM 0 H ASP A 24 24.421 -6.703 18.468 1.00 0.00 H new ATOM 0 HA ASP A 24 24.786 -4.620 20.241 1.00 0.00 H new ATOM 0 HB2 ASP A 24 22.784 -5.345 18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 22.186 -6.143 20.112 1.00 0.00 H new ATOM 338 N VAL A 25 24.035 -7.519 21.618 1.00 0.00 N ATOM 339 CA VAL A 25 23.968 -8.258 22.868 1.00 0.00 C ATOM 340 C VAL A 25 25.277 -8.069 23.637 1.00 0.00 C ATOM 341 O VAL A 25 25.272 -7.587 24.769 1.00 0.00 O ATOM 342 CB VAL A 25 23.645 -9.728 22.590 1.00 0.00 C ATOM 343 CG1 VAL A 25 23.736 -10.560 23.871 1.00 0.00 C ATOM 344 CG2 VAL A 25 22.269 -9.873 21.938 1.00 0.00 C ATOM 0 H VAL A 25 23.948 -8.092 20.779 1.00 0.00 H new ATOM 0 HA VAL A 25 23.163 -7.875 23.496 1.00 0.00 H new ATOM 0 HB VAL A 25 24.389 -10.108 21.890 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.502 -11.601 23.646 1.00 0.00 H new ATOM 0 HG12 VAL A 25 24.746 -10.494 24.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 23.025 -10.178 24.604 1.00 0.00 H new ATOM 0 HG21 VAL A 25 22.064 -10.927 21.751 1.00 0.00 H new ATOM 0 HG22 VAL A 25 21.507 -9.468 22.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 22.254 -9.328 20.994 1.00 0.00 H new ATOM 354 N LEU A 26 26.367 -8.458 22.992 1.00 0.00 N ATOM 355 CA LEU A 26 27.681 -8.337 23.602 1.00 0.00 C ATOM 356 C LEU A 26 27.873 -6.906 24.110 1.00 0.00 C ATOM 357 O LEU A 26 28.474 -6.693 25.162 1.00 0.00 O ATOM 358 CB LEU A 26 28.768 -8.795 22.628 1.00 0.00 C ATOM 359 CG LEU A 26 28.971 -10.307 22.512 1.00 0.00 C ATOM 360 CD1 LEU A 26 29.323 -10.704 21.077 1.00 0.00 C ATOM 361 CD2 LEU A 26 30.017 -10.797 23.516 1.00 0.00 C ATOM 0 H LEU A 26 26.368 -8.857 22.053 1.00 0.00 H new ATOM 0 HA LEU A 26 27.762 -8.996 24.466 1.00 0.00 H new ATOM 0 HB2 LEU A 26 28.530 -8.403 21.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 29.713 -8.344 22.931 1.00 0.00 H new ATOM 0 HG LEU A 26 28.031 -10.799 22.760 1.00 0.00 H new ATOM 0 HD11 LEU A 26 29.462 -11.784 21.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 28.514 -10.408 20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 30.244 -10.204 20.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 30.143 -11.875 23.413 1.00 0.00 H new ATOM 0 HD22 LEU A 26 30.968 -10.300 23.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 29.686 -10.565 24.528 1.00 0.00 H new ATOM 373 N LEU A 27 27.351 -5.964 23.339 1.00 0.00 N ATOM 374 CA LEU A 27 27.457 -4.560 23.697 1.00 0.00 C ATOM 375 C LEU A 27 26.709 -4.315 25.009 1.00 0.00 C ATOM 376 O LEU A 27 27.166 -3.546 25.854 1.00 0.00 O ATOM 377 CB LEU A 27 26.982 -3.674 22.544 1.00 0.00 C ATOM 378 CG LEU A 27 27.831 -3.716 21.272 1.00 0.00 C ATOM 379 CD1 LEU A 27 27.133 -2.988 20.122 1.00 0.00 C ATOM 380 CD2 LEU A 27 29.235 -3.165 21.532 1.00 0.00 C ATOM 0 H LEU A 27 26.853 -6.145 22.467 1.00 0.00 H new ATOM 0 HA LEU A 27 28.499 -4.289 23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.963 -3.962 22.286 1.00 0.00 H new ATOM 0 HB3 LEU A 27 26.942 -2.643 22.897 1.00 0.00 H new ATOM 0 HG LEU A 27 27.944 -4.757 20.971 1.00 0.00 H new ATOM 0 HD11 LEU A 27 27.758 -3.033 19.230 1.00 0.00 H new ATOM 0 HD12 LEU A 27 26.174 -3.465 19.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 26.968 -1.946 20.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 29.818 -3.206 20.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 29.163 -2.131 21.870 1.00 0.00 H new ATOM 0 HD23 LEU A 27 29.725 -3.765 22.299 1.00 0.00 H new ATOM 392 N SER A 28 25.573 -4.983 25.139 1.00 0.00 N ATOM 393 CA SER A 28 24.757 -4.847 26.334 1.00 0.00 C ATOM 394 C SER A 28 25.519 -5.375 27.551 1.00 0.00 C ATOM 395 O SER A 28 25.385 -4.842 28.651 1.00 0.00 O ATOM 396 CB SER A 28 23.426 -5.587 26.179 1.00 0.00 C ATOM 397 OG SER A 28 22.378 -4.957 26.910 1.00 0.00 O ATOM 0 H SER A 28 25.198 -5.620 24.437 1.00 0.00 H new ATOM 0 HA SER A 28 24.539 -3.789 26.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 23.156 -5.631 25.124 1.00 0.00 H new ATOM 0 HB3 SER A 28 23.540 -6.615 26.522 1.00 0.00 H new ATOM 0 HG SER A 28 21.545 -5.458 26.785 1.00 0.00 H new ATOM 403 N MET A 29 26.303 -6.416 27.312 1.00 0.00 N ATOM 404 CA MET A 29 27.087 -7.022 28.375 1.00 0.00 C ATOM 405 C MET A 29 28.127 -6.040 28.917 1.00 0.00 C ATOM 406 O MET A 29 28.553 -6.153 30.065 1.00 0.00 O ATOM 407 CB MET A 29 27.794 -8.270 27.841 1.00 0.00 C ATOM 408 CG MET A 29 26.923 -9.514 28.026 1.00 0.00 C ATOM 409 SD MET A 29 27.950 -10.972 28.102 1.00 0.00 S ATOM 410 CE MET A 29 27.619 -11.669 26.493 1.00 0.00 C ATOM 0 H MET A 29 26.412 -6.855 26.398 1.00 0.00 H new ATOM 0 HA MET A 29 26.413 -7.295 29.187 1.00 0.00 H new ATOM 0 HB2 MET A 29 28.025 -8.137 26.784 1.00 0.00 H new ATOM 0 HB3 MET A 29 28.743 -8.405 28.360 1.00 0.00 H new ATOM 0 HG2 MET A 29 26.336 -9.424 28.940 1.00 0.00 H new ATOM 0 HG3 MET A 29 26.216 -9.599 27.200 1.00 0.00 H new ATOM 0 HE1 MET A 29 28.458 -12.294 26.188 1.00 0.00 H new ATOM 0 HE2 MET A 29 26.713 -12.274 26.538 1.00 0.00 H new ATOM 0 HE3 MET A 29 27.483 -10.865 25.769 1.00 0.00 H new ATOM 420 N GLY A 30 28.506 -5.098 28.065 1.00 0.00 N ATOM 421 CA GLY A 30 29.488 -4.096 28.445 1.00 0.00 C ATOM 422 C GLY A 30 30.766 -4.240 27.617 1.00 0.00 C ATOM 423 O GLY A 30 31.853 -3.900 28.081 1.00 0.00 O ATOM 0 H GLY A 30 28.151 -5.008 27.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 29.069 -3.100 28.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 29.724 -4.196 29.505 1.00 0.00 H new ATOM 427 N PHE A 31 30.593 -4.744 26.404 1.00 0.00 N ATOM 428 CA PHE A 31 31.719 -4.937 25.506 1.00 0.00 C ATOM 429 C PHE A 31 31.667 -3.948 24.340 1.00 0.00 C ATOM 430 O PHE A 31 30.587 -3.600 23.865 1.00 0.00 O ATOM 431 CB PHE A 31 31.615 -6.361 24.957 1.00 0.00 C ATOM 432 CG PHE A 31 31.976 -7.448 25.972 1.00 0.00 C ATOM 433 CD1 PHE A 31 31.020 -7.953 26.796 1.00 0.00 C ATOM 434 CD2 PHE A 31 33.253 -7.909 26.049 1.00 0.00 C ATOM 435 CE1 PHE A 31 31.355 -8.962 27.738 1.00 0.00 C ATOM 436 CE2 PHE A 31 33.589 -8.917 26.991 1.00 0.00 C ATOM 437 CZ PHE A 31 32.633 -9.422 27.815 1.00 0.00 C ATOM 0 H PHE A 31 29.690 -5.025 26.022 1.00 0.00 H new ATOM 0 HA PHE A 31 32.654 -4.775 26.042 1.00 0.00 H new ATOM 0 HB2 PHE A 31 30.597 -6.530 24.605 1.00 0.00 H new ATOM 0 HB3 PHE A 31 32.271 -6.454 24.091 1.00 0.00 H new ATOM 0 HD1 PHE A 31 30.006 -7.587 26.734 1.00 0.00 H new ATOM 0 HD2 PHE A 31 34.012 -7.508 25.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.596 -9.364 28.393 1.00 0.00 H new ATOM 0 HE2 PHE A 31 34.603 -9.282 27.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 32.888 -10.189 28.531 1.00 0.00 H new ATOM 447 N PRO A 32 32.878 -3.513 23.901 1.00 0.00 N ATOM 448 CA PRO A 32 32.980 -2.571 22.799 1.00 0.00 C ATOM 449 C PRO A 32 32.704 -3.260 21.461 1.00 0.00 C ATOM 450 O PRO A 32 32.884 -4.470 21.333 1.00 0.00 O ATOM 451 CB PRO A 32 34.387 -2.003 22.896 1.00 0.00 C ATOM 452 CG PRO A 32 35.172 -2.981 23.755 1.00 0.00 C ATOM 453 CD PRO A 32 34.177 -3.904 24.439 1.00 0.00 C ATOM 0 HA PRO A 32 32.238 -1.774 22.857 1.00 0.00 H new ATOM 0 HB2 PRO A 32 34.837 -1.902 21.908 1.00 0.00 H new ATOM 0 HB3 PRO A 32 34.377 -1.010 23.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 35.866 -3.555 23.142 1.00 0.00 H new ATOM 0 HG3 PRO A 32 35.768 -2.446 24.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 34.396 -4.950 24.225 1.00 0.00 H new ATOM 0 HD3 PRO A 32 34.208 -3.787 25.522 1.00 0.00 H new ATOM 461 N ARG A 33 32.271 -2.460 20.498 1.00 0.00 N ATOM 462 CA ARG A 33 31.969 -2.977 19.174 1.00 0.00 C ATOM 463 C ARG A 33 33.138 -3.813 18.651 1.00 0.00 C ATOM 464 O ARG A 33 33.020 -5.029 18.505 1.00 0.00 O ATOM 465 CB ARG A 33 31.683 -1.841 18.191 1.00 0.00 C ATOM 466 CG ARG A 33 31.326 -2.390 16.808 1.00 0.00 C ATOM 467 CD ARG A 33 30.468 -1.392 16.027 1.00 0.00 C ATOM 468 NE ARG A 33 29.039 -1.587 16.356 1.00 0.00 N ATOM 469 CZ ARG A 33 28.028 -1.028 15.675 1.00 0.00 C ATOM 470 NH1 ARG A 33 28.284 -0.237 14.625 1.00 0.00 N ATOM 471 NH2 ARG A 33 26.762 -1.261 16.045 1.00 0.00 N ATOM 0 H ARG A 33 32.122 -1.457 20.608 1.00 0.00 H new ATOM 0 HA ARG A 33 31.080 -3.602 19.257 1.00 0.00 H new ATOM 0 HB2 ARG A 33 30.863 -1.229 18.566 1.00 0.00 H new ATOM 0 HB3 ARG A 33 32.556 -1.193 18.115 1.00 0.00 H new ATOM 0 HG2 ARG A 33 32.238 -2.605 16.251 1.00 0.00 H new ATOM 0 HG3 ARG A 33 30.788 -3.332 16.914 1.00 0.00 H new ATOM 0 HD2 ARG A 33 30.770 -0.373 16.269 1.00 0.00 H new ATOM 0 HD3 ARG A 33 30.625 -1.525 14.957 1.00 0.00 H new ATOM 0 HE ARG A 33 28.808 -2.184 17.150 1.00 0.00 H new ATOM 0 HH11 ARG A 33 29.248 -0.060 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.515 0.188 14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 33 26.567 -1.863 16.845 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.993 -0.836 15.527 1.00 0.00 H new ATOM 485 N ALA A 34 34.241 -3.129 18.384 1.00 0.00 N ATOM 486 CA ALA A 34 35.431 -3.793 17.880 1.00 0.00 C ATOM 487 C ALA A 34 35.616 -5.123 18.614 1.00 0.00 C ATOM 488 O ALA A 34 35.770 -6.168 17.984 1.00 0.00 O ATOM 489 CB ALA A 34 36.638 -2.867 18.038 1.00 0.00 C ATOM 0 H ALA A 34 34.335 -2.121 18.507 1.00 0.00 H new ATOM 0 HA ALA A 34 35.327 -4.014 16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 37.531 -3.365 17.660 1.00 0.00 H new ATOM 0 HB2 ALA A 34 36.469 -1.949 17.475 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.776 -2.626 19.092 1.00 0.00 H new ATOM 495 N ARG A 35 35.596 -5.041 19.936 1.00 0.00 N ATOM 496 CA ARG A 35 35.760 -6.225 20.763 1.00 0.00 C ATOM 497 C ARG A 35 34.900 -7.370 20.225 1.00 0.00 C ATOM 498 O ARG A 35 35.425 -8.380 19.759 1.00 0.00 O ATOM 499 CB ARG A 35 35.370 -5.941 22.215 1.00 0.00 C ATOM 500 CG ARG A 35 36.610 -5.837 23.105 1.00 0.00 C ATOM 501 CD ARG A 35 37.146 -7.224 23.463 1.00 0.00 C ATOM 502 NE ARG A 35 36.883 -7.515 24.890 1.00 0.00 N ATOM 503 CZ ARG A 35 37.576 -8.404 25.616 1.00 0.00 C ATOM 504 NH1 ARG A 35 38.577 -9.094 25.052 1.00 0.00 N ATOM 505 NH2 ARG A 35 37.268 -8.603 26.904 1.00 0.00 N ATOM 0 H ARG A 35 35.469 -4.173 20.456 1.00 0.00 H new ATOM 0 HA ARG A 35 36.812 -6.510 20.731 1.00 0.00 H new ATOM 0 HB2 ARG A 35 34.801 -5.013 22.268 1.00 0.00 H new ATOM 0 HB3 ARG A 35 34.720 -6.735 22.583 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.383 -5.266 22.592 1.00 0.00 H new ATOM 0 HG3 ARG A 35 36.363 -5.292 24.016 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.672 -7.979 22.836 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.217 -7.271 23.265 1.00 0.00 H new ATOM 0 HE ARG A 35 36.127 -7.007 25.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.811 -8.943 24.071 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.105 -9.770 25.604 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.506 -8.078 27.333 1.00 0.00 H new ATOM 0 HH22 ARG A 35 37.795 -9.279 27.456 1.00 0.00 H new ATOM 519 N ALA A 36 33.592 -7.175 20.308 1.00 0.00 N ATOM 520 CA ALA A 36 32.654 -8.180 19.836 1.00 0.00 C ATOM 521 C ALA A 36 32.903 -8.444 18.349 1.00 0.00 C ATOM 522 O ALA A 36 32.986 -9.596 17.926 1.00 0.00 O ATOM 523 CB ALA A 36 31.224 -7.713 20.113 1.00 0.00 C ATOM 0 H ALA A 36 33.160 -6.336 20.695 1.00 0.00 H new ATOM 0 HA ALA A 36 32.799 -9.121 20.367 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.520 -8.466 19.759 1.00 0.00 H new ATOM 0 HB2 ALA A 36 31.090 -7.566 21.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 31.041 -6.773 19.593 1.00 0.00 H new ATOM 529 N GLN A 37 33.015 -7.359 17.598 1.00 0.00 N ATOM 530 CA GLN A 37 33.252 -7.459 16.168 1.00 0.00 C ATOM 531 C GLN A 37 34.391 -8.441 15.887 1.00 0.00 C ATOM 532 O GLN A 37 34.204 -9.428 15.178 1.00 0.00 O ATOM 533 CB GLN A 37 33.551 -6.086 15.564 1.00 0.00 C ATOM 534 CG GLN A 37 32.279 -5.444 15.006 1.00 0.00 C ATOM 535 CD GLN A 37 32.301 -5.422 13.476 1.00 0.00 C ATOM 536 OE1 GLN A 37 33.135 -6.037 12.833 1.00 0.00 O ATOM 537 NE2 GLN A 37 31.340 -4.681 12.932 1.00 0.00 N ATOM 0 H GLN A 37 32.946 -6.405 17.953 1.00 0.00 H new ATOM 0 HA GLN A 37 32.346 -7.838 15.695 1.00 0.00 H new ATOM 0 HB2 GLN A 37 33.987 -5.437 16.324 1.00 0.00 H new ATOM 0 HB3 GLN A 37 34.290 -6.187 14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 37 31.406 -5.997 15.353 1.00 0.00 H new ATOM 0 HG3 GLN A 37 32.184 -4.427 15.386 1.00 0.00 H new ATOM 0 HE21 GLN A 37 30.673 -4.192 13.529 1.00 0.00 H new ATOM 0 HE22 GLN A 37 31.269 -4.602 11.918 1.00 0.00 H new ATOM 546 N LYS A 38 35.547 -8.136 16.458 1.00 0.00 N ATOM 547 CA LYS A 38 36.717 -8.979 16.278 1.00 0.00 C ATOM 548 C LYS A 38 36.328 -10.440 16.511 1.00 0.00 C ATOM 549 O LYS A 38 36.478 -11.276 15.621 1.00 0.00 O ATOM 550 CB LYS A 38 37.866 -8.499 17.167 1.00 0.00 C ATOM 551 CG LYS A 38 39.178 -9.189 16.788 1.00 0.00 C ATOM 552 CD LYS A 38 40.138 -8.207 16.113 1.00 0.00 C ATOM 553 CE LYS A 38 41.282 -8.949 15.419 1.00 0.00 C ATOM 554 NZ LYS A 38 42.589 -8.390 15.833 1.00 0.00 N ATOM 0 H LYS A 38 35.699 -7.316 17.046 1.00 0.00 H new ATOM 0 HA LYS A 38 37.085 -8.906 15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.978 -7.419 17.071 1.00 0.00 H new ATOM 0 HB3 LYS A 38 37.632 -8.704 18.212 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.645 -9.605 17.680 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.974 -10.023 16.117 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.595 -7.605 15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.543 -7.520 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.239 -10.010 15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.172 -8.869 14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.355 -8.905 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.634 -7.384 15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.698 -8.488 16.863 1.00 0.00 H new ATOM 568 N ALA A 39 35.835 -10.703 17.712 1.00 0.00 N ATOM 569 CA ALA A 39 35.423 -12.049 18.074 1.00 0.00 C ATOM 570 C ALA A 39 34.436 -12.574 17.029 1.00 0.00 C ATOM 571 O ALA A 39 34.704 -13.574 16.364 1.00 0.00 O ATOM 572 CB ALA A 39 34.828 -12.040 19.484 1.00 0.00 C ATOM 0 H ALA A 39 35.711 -10.007 18.447 1.00 0.00 H new ATOM 0 HA ALA A 39 36.280 -12.722 18.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 34.519 -13.050 19.755 1.00 0.00 H new ATOM 0 HB2 ALA A 39 35.577 -11.687 20.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.963 -11.377 19.510 1.00 0.00 H new ATOM 578 N LEU A 40 33.316 -11.875 16.916 1.00 0.00 N ATOM 579 CA LEU A 40 32.288 -12.258 15.963 1.00 0.00 C ATOM 580 C LEU A 40 32.950 -12.697 14.654 1.00 0.00 C ATOM 581 O LEU A 40 32.815 -13.847 14.242 1.00 0.00 O ATOM 582 CB LEU A 40 31.271 -11.129 15.789 1.00 0.00 C ATOM 583 CG LEU A 40 30.233 -10.984 16.904 1.00 0.00 C ATOM 584 CD1 LEU A 40 29.858 -9.516 17.116 1.00 0.00 C ATOM 585 CD2 LEU A 40 29.006 -11.855 16.629 1.00 0.00 C ATOM 0 H LEU A 40 33.098 -11.046 17.469 1.00 0.00 H new ATOM 0 HA LEU A 40 31.721 -13.111 16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.814 -10.188 15.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.744 -11.283 14.847 1.00 0.00 H new ATOM 0 HG LEU A 40 30.678 -11.340 17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.119 -9.441 17.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 30.748 -8.949 17.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.440 -9.111 16.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.285 -11.733 17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.550 -11.553 15.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.308 -12.900 16.568 1.00 0.00 H new ATOM 597 N ALA A 41 33.650 -11.756 14.039 1.00 0.00 N ATOM 598 CA ALA A 41 34.333 -12.030 12.786 1.00 0.00 C ATOM 599 C ALA A 41 34.978 -13.416 12.854 1.00 0.00 C ATOM 600 O ALA A 41 34.609 -14.314 12.098 1.00 0.00 O ATOM 601 CB ALA A 41 35.354 -10.925 12.508 1.00 0.00 C ATOM 0 H ALA A 41 33.759 -10.803 14.385 1.00 0.00 H new ATOM 0 HA ALA A 41 33.625 -12.036 11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 41 35.866 -11.131 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 41 34.842 -9.965 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 41 36.082 -10.891 13.318 1.00 0.00 H new ATOM 607 N SER A 42 35.929 -13.547 13.767 1.00 0.00 N ATOM 608 CA SER A 42 36.628 -14.808 13.944 1.00 0.00 C ATOM 609 C SER A 42 35.631 -15.968 13.915 1.00 0.00 C ATOM 610 O SER A 42 35.780 -16.900 13.126 1.00 0.00 O ATOM 611 CB SER A 42 37.419 -14.820 15.254 1.00 0.00 C ATOM 612 OG SER A 42 38.776 -14.431 15.063 1.00 0.00 O ATOM 0 H SER A 42 36.232 -12.800 14.392 1.00 0.00 H new ATOM 0 HA SER A 42 37.335 -14.925 13.123 1.00 0.00 H new ATOM 0 HB2 SER A 42 36.946 -14.146 15.969 1.00 0.00 H new ATOM 0 HB3 SER A 42 37.386 -15.819 15.688 1.00 0.00 H new ATOM 0 HG SER A 42 39.301 -14.675 15.854 1.00 0.00 H new ATOM 618 N THR A 43 34.636 -15.873 14.785 1.00 0.00 N ATOM 619 CA THR A 43 33.614 -16.903 14.869 1.00 0.00 C ATOM 620 C THR A 43 32.445 -16.571 13.940 1.00 0.00 C ATOM 621 O THR A 43 31.296 -16.889 14.243 1.00 0.00 O ATOM 622 CB THR A 43 33.204 -17.043 16.336 1.00 0.00 C ATOM 623 OG1 THR A 43 32.359 -15.920 16.569 1.00 0.00 O ATOM 624 CG2 THR A 43 34.377 -16.832 17.295 1.00 0.00 C ATOM 0 H THR A 43 34.516 -15.099 15.438 1.00 0.00 H new ATOM 0 HA THR A 43 33.994 -17.867 14.530 1.00 0.00 H new ATOM 0 HB THR A 43 32.775 -18.032 16.500 1.00 0.00 H new ATOM 0 HG1 THR A 43 32.046 -15.933 17.498 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.031 -16.942 18.323 1.00 0.00 H new ATOM 0 HG22 THR A 43 35.151 -17.572 17.091 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.786 -15.831 17.155 1.00 0.00 H new ATOM 632 N GLY A 44 32.777 -15.934 12.826 1.00 0.00 N ATOM 633 CA GLY A 44 31.769 -15.556 11.851 1.00 0.00 C ATOM 634 C GLY A 44 30.772 -14.562 12.450 1.00 0.00 C ATOM 635 O GLY A 44 30.872 -13.359 12.215 1.00 0.00 O ATOM 0 H GLY A 44 33.730 -15.670 12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 32.250 -15.113 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.240 -16.445 11.507 1.00 0.00 H new ATOM 639 N GLY A 45 29.833 -15.102 13.213 1.00 0.00 N ATOM 640 CA GLY A 45 28.819 -14.278 13.849 1.00 0.00 C ATOM 641 C GLY A 45 27.485 -15.021 13.936 1.00 0.00 C ATOM 642 O GLY A 45 26.476 -14.557 13.407 1.00 0.00 O ATOM 0 H GLY A 45 29.753 -16.101 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 29.149 -13.997 14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 45 28.689 -13.355 13.285 1.00 0.00 H new ATOM 646 N ARG A 46 27.522 -16.163 14.608 1.00 0.00 N ATOM 647 CA ARG A 46 26.329 -16.975 14.771 1.00 0.00 C ATOM 648 C ARG A 46 25.836 -16.908 16.218 1.00 0.00 C ATOM 649 O ARG A 46 24.683 -16.559 16.470 1.00 0.00 O ATOM 650 CB ARG A 46 26.599 -18.434 14.399 1.00 0.00 C ATOM 651 CG ARG A 46 25.574 -18.939 13.382 1.00 0.00 C ATOM 652 CD ARG A 46 24.851 -20.183 13.904 1.00 0.00 C ATOM 653 NE ARG A 46 23.457 -20.203 13.410 1.00 0.00 N ATOM 654 CZ ARG A 46 22.638 -21.259 13.512 1.00 0.00 C ATOM 655 NH1 ARG A 46 23.071 -22.388 14.091 1.00 0.00 N ATOM 656 NH2 ARG A 46 21.388 -21.187 13.035 1.00 0.00 N ATOM 0 H ARG A 46 28.360 -16.545 15.046 1.00 0.00 H new ATOM 0 HA ARG A 46 25.564 -16.578 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 46 27.603 -18.528 13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 46 26.564 -19.054 15.295 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.848 -18.154 13.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 26.074 -19.172 12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.374 -21.082 13.577 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.859 -20.188 14.994 1.00 0.00 H new ATOM 0 HE ARG A 46 23.096 -19.360 12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.023 -22.443 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.449 -23.192 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.059 -20.328 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.765 -21.991 13.113 1.00 0.00 H new ATOM 670 N SER A 47 26.733 -17.248 17.132 1.00 0.00 N ATOM 671 CA SER A 47 26.404 -17.231 18.547 1.00 0.00 C ATOM 672 C SER A 47 27.351 -16.289 19.293 1.00 0.00 C ATOM 673 O SER A 47 28.486 -16.081 18.869 1.00 0.00 O ATOM 674 CB SER A 47 26.473 -18.637 19.145 1.00 0.00 C ATOM 675 OG SER A 47 25.592 -19.542 18.485 1.00 0.00 O ATOM 0 H SER A 47 27.688 -17.537 16.920 1.00 0.00 H new ATOM 0 HA SER A 47 25.382 -16.869 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.495 -19.011 19.076 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.221 -18.593 20.204 1.00 0.00 H new ATOM 0 HG SER A 47 25.667 -20.429 18.895 1.00 0.00 H new ATOM 681 N VAL A 48 26.848 -15.745 20.392 1.00 0.00 N ATOM 682 CA VAL A 48 27.636 -14.831 21.202 1.00 0.00 C ATOM 683 C VAL A 48 28.513 -15.634 22.164 1.00 0.00 C ATOM 684 O VAL A 48 29.584 -15.179 22.560 1.00 0.00 O ATOM 685 CB VAL A 48 26.715 -13.840 21.917 1.00 0.00 C ATOM 686 CG1 VAL A 48 26.101 -12.849 20.927 1.00 0.00 C ATOM 687 CG2 VAL A 48 25.627 -14.573 22.705 1.00 0.00 C ATOM 0 H VAL A 48 25.905 -15.920 20.740 1.00 0.00 H new ATOM 0 HA VAL A 48 28.302 -14.240 20.573 1.00 0.00 H new ATOM 0 HB VAL A 48 27.319 -13.274 22.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 25.451 -12.156 21.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 26.895 -12.292 20.430 1.00 0.00 H new ATOM 0 HG13 VAL A 48 25.519 -13.392 20.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 24.986 -13.846 23.204 1.00 0.00 H new ATOM 0 HG22 VAL A 48 25.028 -15.177 22.023 1.00 0.00 H new ATOM 0 HG23 VAL A 48 26.090 -15.219 23.450 1.00 0.00 H new ATOM 697 N GLN A 49 28.025 -16.816 22.513 1.00 0.00 N ATOM 698 CA GLN A 49 28.751 -17.687 23.421 1.00 0.00 C ATOM 699 C GLN A 49 30.106 -18.067 22.822 1.00 0.00 C ATOM 700 O GLN A 49 31.148 -17.821 23.428 1.00 0.00 O ATOM 701 CB GLN A 49 27.930 -18.934 23.758 1.00 0.00 C ATOM 702 CG GLN A 49 27.505 -18.930 25.228 1.00 0.00 C ATOM 703 CD GLN A 49 28.462 -19.769 26.078 1.00 0.00 C ATOM 704 OE1 GLN A 49 29.134 -20.667 25.598 1.00 0.00 O ATOM 705 NE2 GLN A 49 28.486 -19.427 27.363 1.00 0.00 N ATOM 0 H GLN A 49 27.135 -17.190 22.183 1.00 0.00 H new ATOM 0 HA GLN A 49 28.926 -17.146 24.351 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.047 -18.976 23.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.517 -19.828 23.548 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.484 -17.906 25.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.492 -19.323 25.319 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.897 -18.665 27.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.093 -19.927 28.013 1.00 0.00 H new ATOM 714 N THR A 50 30.048 -18.662 21.640 1.00 0.00 N ATOM 715 CA THR A 50 31.259 -19.079 20.952 1.00 0.00 C ATOM 716 C THR A 50 32.271 -17.932 20.911 1.00 0.00 C ATOM 717 O THR A 50 33.440 -18.119 21.243 1.00 0.00 O ATOM 718 CB THR A 50 30.862 -19.590 19.566 1.00 0.00 C ATOM 719 OG1 THR A 50 30.411 -20.921 19.802 1.00 0.00 O ATOM 720 CG2 THR A 50 32.067 -19.764 18.639 1.00 0.00 C ATOM 0 H THR A 50 29.182 -18.865 21.141 1.00 0.00 H new ATOM 0 HA THR A 50 31.757 -19.890 21.483 1.00 0.00 H new ATOM 0 HB THR A 50 30.153 -18.897 19.114 1.00 0.00 H new ATOM 0 HG1 THR A 50 30.132 -21.327 18.955 1.00 0.00 H new ATOM 0 HG21 THR A 50 31.730 -20.129 17.669 1.00 0.00 H new ATOM 0 HG22 THR A 50 32.570 -18.805 18.512 1.00 0.00 H new ATOM 0 HG23 THR A 50 32.761 -20.482 19.075 1.00 0.00 H new ATOM 728 N ALA A 51 31.784 -16.771 20.500 1.00 0.00 N ATOM 729 CA ALA A 51 32.631 -15.594 20.411 1.00 0.00 C ATOM 730 C ALA A 51 33.357 -15.391 21.742 1.00 0.00 C ATOM 731 O ALA A 51 34.582 -15.277 21.774 1.00 0.00 O ATOM 732 CB ALA A 51 31.783 -14.382 20.019 1.00 0.00 C ATOM 0 H ALA A 51 30.813 -16.620 20.225 1.00 0.00 H new ATOM 0 HA ALA A 51 33.389 -15.725 19.639 1.00 0.00 H new ATOM 0 HB1 ALA A 51 32.419 -13.499 19.952 1.00 0.00 H new ATOM 0 HB2 ALA A 51 31.313 -14.564 19.053 1.00 0.00 H new ATOM 0 HB3 ALA A 51 31.012 -14.218 20.772 1.00 0.00 H new ATOM 738 N CYS A 52 32.572 -15.353 22.808 1.00 0.00 N ATOM 739 CA CYS A 52 33.125 -15.166 24.139 1.00 0.00 C ATOM 740 C CYS A 52 34.349 -16.072 24.282 1.00 0.00 C ATOM 741 O CYS A 52 35.437 -15.604 24.615 1.00 0.00 O ATOM 742 CB CYS A 52 32.084 -15.437 25.227 1.00 0.00 C ATOM 743 SG CYS A 52 31.410 -13.856 25.856 1.00 0.00 S ATOM 0 H CYS A 52 31.557 -15.449 22.778 1.00 0.00 H new ATOM 0 HA CYS A 52 33.427 -14.127 24.268 1.00 0.00 H new ATOM 0 HB2 CYS A 52 31.278 -16.051 24.826 1.00 0.00 H new ATOM 0 HB3 CYS A 52 32.537 -15.999 26.044 1.00 0.00 H new ATOM 0 HG CYS A 52 30.526 -14.097 26.778 1.00 0.00 H new ATOM 749 N ASP A 53 34.131 -17.353 24.022 1.00 0.00 N ATOM 750 CA ASP A 53 35.203 -18.329 24.118 1.00 0.00 C ATOM 751 C ASP A 53 36.436 -17.800 23.382 1.00 0.00 C ATOM 752 O ASP A 53 37.547 -17.854 23.906 1.00 0.00 O ATOM 753 CB ASP A 53 34.800 -19.656 23.471 1.00 0.00 C ATOM 754 CG ASP A 53 35.190 -20.906 24.262 1.00 0.00 C ATOM 755 OD1 ASP A 53 36.408 -21.086 24.474 1.00 0.00 O ATOM 756 OD2 ASP A 53 34.260 -21.653 24.637 1.00 0.00 O ATOM 0 H ASP A 53 33.228 -17.737 23.745 1.00 0.00 H new ATOM 0 HA ASP A 53 35.416 -18.493 25.174 1.00 0.00 H new ATOM 0 HB2 ASP A 53 33.720 -19.659 23.326 1.00 0.00 H new ATOM 0 HB3 ASP A 53 35.255 -19.714 22.482 1.00 0.00 H new ATOM 761 N TRP A 54 36.198 -17.300 22.178 1.00 0.00 N ATOM 762 CA TRP A 54 37.275 -16.762 21.365 1.00 0.00 C ATOM 763 C TRP A 54 37.850 -15.543 22.089 1.00 0.00 C ATOM 764 O TRP A 54 39.063 -15.428 22.252 1.00 0.00 O ATOM 765 CB TRP A 54 36.787 -16.442 19.950 1.00 0.00 C ATOM 766 CG TRP A 54 37.899 -16.018 18.989 1.00 0.00 C ATOM 767 CD1 TRP A 54 38.582 -16.784 18.128 1.00 0.00 C ATOM 768 CD2 TRP A 54 38.433 -14.687 18.826 1.00 0.00 C ATOM 769 NE1 TRP A 54 39.513 -16.048 17.424 1.00 0.00 N ATOM 770 CE2 TRP A 54 39.419 -14.732 17.862 1.00 0.00 C ATOM 771 CE3 TRP A 54 38.093 -13.485 19.470 1.00 0.00 C ATOM 772 CZ2 TRP A 54 40.147 -13.607 17.456 1.00 0.00 C ATOM 773 CZ3 TRP A 54 38.829 -12.369 19.054 1.00 0.00 C ATOM 774 CH2 TRP A 54 39.826 -12.398 18.085 1.00 0.00 C ATOM 0 H TRP A 54 35.275 -17.256 21.746 1.00 0.00 H new ATOM 0 HA TRP A 54 38.068 -17.499 21.239 1.00 0.00 H new ATOM 0 HB2 TRP A 54 36.284 -17.319 19.543 1.00 0.00 H new ATOM 0 HB3 TRP A 54 36.045 -15.646 20.004 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.424 -17.845 18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 54 40.152 -16.404 16.713 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.324 -13.427 20.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 40.915 -13.668 16.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 38.607 -11.419 19.518 1.00 0.00 H new ATOM 0 HH2 TRP A 54 40.350 -11.492 17.819 1.00 0.00 H new ATOM 785 N LEU A 55 36.950 -14.662 22.504 1.00 0.00 N ATOM 786 CA LEU A 55 37.353 -13.456 23.207 1.00 0.00 C ATOM 787 C LEU A 55 38.408 -13.811 24.257 1.00 0.00 C ATOM 788 O LEU A 55 39.569 -13.424 24.131 1.00 0.00 O ATOM 789 CB LEU A 55 36.131 -12.737 23.781 1.00 0.00 C ATOM 790 CG LEU A 55 35.487 -11.682 22.879 1.00 0.00 C ATOM 791 CD1 LEU A 55 33.982 -11.584 23.137 1.00 0.00 C ATOM 792 CD2 LEU A 55 36.185 -10.330 23.033 1.00 0.00 C ATOM 0 H LEU A 55 35.944 -14.760 22.367 1.00 0.00 H new ATOM 0 HA LEU A 55 37.815 -12.749 22.517 1.00 0.00 H new ATOM 0 HB2 LEU A 55 35.377 -13.485 24.027 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.422 -12.258 24.716 1.00 0.00 H new ATOM 0 HG LEU A 55 35.615 -11.994 21.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 33.549 -10.827 22.483 1.00 0.00 H new ATOM 0 HD12 LEU A 55 33.515 -12.548 22.935 1.00 0.00 H new ATOM 0 HD13 LEU A 55 33.808 -11.307 24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 55 35.708 -9.598 22.381 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.110 -9.998 24.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 37.235 -10.430 22.759 1.00 0.00 H new ATOM 804 N PHE A 56 37.966 -14.542 25.269 1.00 0.00 N ATOM 805 CA PHE A 56 38.858 -14.953 26.340 1.00 0.00 C ATOM 806 C PHE A 56 40.075 -15.695 25.786 1.00 0.00 C ATOM 807 O PHE A 56 41.214 -15.340 26.088 1.00 0.00 O ATOM 808 CB PHE A 56 38.065 -15.901 27.243 1.00 0.00 C ATOM 809 CG PHE A 56 36.743 -15.319 27.748 1.00 0.00 C ATOM 810 CD1 PHE A 56 36.730 -14.126 28.401 1.00 0.00 C ATOM 811 CD2 PHE A 56 35.581 -15.995 27.544 1.00 0.00 C ATOM 812 CE1 PHE A 56 35.503 -13.586 28.869 1.00 0.00 C ATOM 813 CE2 PHE A 56 34.354 -15.456 28.012 1.00 0.00 C ATOM 814 CZ PHE A 56 34.341 -14.263 28.665 1.00 0.00 C ATOM 0 H PHE A 56 37.002 -14.860 25.370 1.00 0.00 H new ATOM 0 HA PHE A 56 39.216 -14.078 26.882 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.860 -16.821 26.695 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.682 -16.171 28.100 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.653 -13.589 28.564 1.00 0.00 H new ATOM 0 HD2 PHE A 56 35.592 -16.942 27.026 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.492 -12.638 29.387 1.00 0.00 H new ATOM 0 HE2 PHE A 56 33.431 -15.993 27.850 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.408 -13.853 29.022 1.00 0.00 H new