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= -0.146 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.013) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -180:sc= 0.862 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00644 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 36.682 40.896 -14.322 1.00 0.00 N ATOM 298 CA ALA A 22 37.900 40.989 -13.535 1.00 0.00 C ATOM 299 C ALA A 22 38.022 42.400 -12.958 1.00 0.00 C ATOM 300 O ALA A 22 38.412 42.571 -11.804 1.00 0.00 O ATOM 301 CB ALA A 22 39.100 40.608 -14.405 1.00 0.00 C ATOM 0 HA ALA A 22 37.871 40.292 -12.697 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.014 40.678 -13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 38.978 39.587 -14.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 39.164 41.288 -15.255 1.00 0.00 H new ATOM 307 N LEU A 23 37.682 43.376 -13.788 1.00 0.00 N ATOM 308 CA LEU A 23 37.749 44.767 -13.374 1.00 0.00 C ATOM 309 C LEU A 23 36.657 45.040 -12.338 1.00 0.00 C ATOM 310 O LEU A 23 36.953 45.407 -11.201 1.00 0.00 O ATOM 311 CB LEU A 23 37.686 45.692 -14.592 1.00 0.00 C ATOM 312 CG LEU A 23 37.123 47.092 -14.342 1.00 0.00 C ATOM 313 CD1 LEU A 23 37.914 47.814 -13.249 1.00 0.00 C ATOM 314 CD2 LEU A 23 37.070 47.901 -15.640 1.00 0.00 C ATOM 0 H LEU A 23 37.360 43.231 -14.745 1.00 0.00 H new ATOM 0 HA LEU A 23 38.705 44.975 -12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 38.692 45.794 -14.999 1.00 0.00 H new ATOM 0 HB3 LEU A 23 37.080 45.210 -15.359 1.00 0.00 H new ATOM 0 HG LEU A 23 36.099 46.989 -13.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 37.493 48.807 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 23 37.857 47.244 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.956 47.906 -13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 23 36.666 48.892 -15.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 38.075 47.997 -16.050 1.00 0.00 H new ATOM 0 HD23 LEU A 23 36.431 47.391 -16.361 1.00 0.00 H new ATOM 326 N ASP A 24 35.418 44.851 -12.767 1.00 0.00 N ATOM 327 CA ASP A 24 34.281 45.072 -11.890 1.00 0.00 C ATOM 328 C ASP A 24 34.545 44.403 -10.540 1.00 0.00 C ATOM 329 O ASP A 24 34.216 44.958 -9.493 1.00 0.00 O ATOM 330 CB ASP A 24 33.006 44.463 -12.477 1.00 0.00 C ATOM 331 CG ASP A 24 31.708 45.163 -12.070 1.00 0.00 C ATOM 332 OD1 ASP A 24 31.700 46.412 -12.112 1.00 0.00 O ATOM 333 OD2 ASP A 24 30.753 44.433 -11.726 1.00 0.00 O ATOM 0 H ASP A 24 35.177 44.547 -13.710 1.00 0.00 H new ATOM 0 HA ASP A 24 34.148 46.148 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 33.082 44.476 -13.564 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.948 43.418 -12.174 1.00 0.00 H new ATOM 338 N VAL A 25 35.137 43.219 -10.608 1.00 0.00 N ATOM 339 CA VAL A 25 35.450 42.469 -9.403 1.00 0.00 C ATOM 340 C VAL A 25 36.295 43.339 -8.470 1.00 0.00 C ATOM 341 O VAL A 25 35.995 43.454 -7.283 1.00 0.00 O ATOM 342 CB VAL A 25 36.132 41.149 -9.771 1.00 0.00 C ATOM 343 CG1 VAL A 25 36.575 40.393 -8.518 1.00 0.00 C ATOM 344 CG2 VAL A 25 35.218 40.283 -10.640 1.00 0.00 C ATOM 0 H VAL A 25 35.408 42.761 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 25 34.537 42.210 -8.867 1.00 0.00 H new ATOM 0 HB VAL A 25 37.023 41.383 -10.353 1.00 0.00 H new ATOM 0 HG11 VAL A 25 37.056 39.459 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 25 37.279 41.005 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 25 35.705 40.176 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 25 35.727 39.351 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 34.300 40.062 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 34.975 40.818 -11.558 1.00 0.00 H new ATOM 354 N LEU A 26 37.334 43.928 -9.043 1.00 0.00 N ATOM 355 CA LEU A 26 38.224 44.784 -8.277 1.00 0.00 C ATOM 356 C LEU A 26 37.415 45.918 -7.644 1.00 0.00 C ATOM 357 O LEU A 26 37.701 46.338 -6.524 1.00 0.00 O ATOM 358 CB LEU A 26 39.383 45.270 -9.150 1.00 0.00 C ATOM 359 CG LEU A 26 40.533 44.281 -9.349 1.00 0.00 C ATOM 360 CD1 LEU A 26 41.290 44.573 -10.646 1.00 0.00 C ATOM 361 CD2 LEU A 26 41.462 44.270 -8.133 1.00 0.00 C ATOM 0 H LEU A 26 37.580 43.830 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 26 38.682 44.224 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 26 38.987 45.538 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 39.786 46.182 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 26 40.111 43.280 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 42.102 43.855 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 26 40.608 44.490 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 26 41.700 45.582 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 26 42.271 43.559 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 41.879 45.266 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 40.898 43.977 -7.247 1.00 0.00 H new ATOM 373 N LEU A 27 36.421 46.379 -8.387 1.00 0.00 N ATOM 374 CA LEU A 27 35.568 47.456 -7.912 1.00 0.00 C ATOM 375 C LEU A 27 34.863 47.013 -6.629 1.00 0.00 C ATOM 376 O LEU A 27 34.626 47.825 -5.735 1.00 0.00 O ATOM 377 CB LEU A 27 34.609 47.907 -9.016 1.00 0.00 C ATOM 378 CG LEU A 27 35.250 48.248 -10.363 1.00 0.00 C ATOM 379 CD1 LEU A 27 34.183 48.550 -11.417 1.00 0.00 C ATOM 380 CD2 LEU A 27 36.254 49.394 -10.218 1.00 0.00 C ATOM 0 H LEU A 27 36.186 46.027 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 27 36.165 48.333 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 27 33.873 47.119 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 27 34.066 48.783 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 27 35.805 47.376 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 34.665 48.789 -12.365 1.00 0.00 H new ATOM 0 HD12 LEU A 27 33.542 47.678 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 33.581 49.398 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.695 49.616 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 27 35.743 50.280 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 27 37.040 49.103 -9.521 1.00 0.00 H new ATOM 392 N SER A 28 34.547 45.727 -6.578 1.00 0.00 N ATOM 393 CA SER A 28 33.874 45.167 -5.418 1.00 0.00 C ATOM 394 C SER A 28 34.827 45.142 -4.222 1.00 0.00 C ATOM 395 O SER A 28 34.432 45.464 -3.102 1.00 0.00 O ATOM 396 CB SER A 28 33.352 43.759 -5.711 1.00 0.00 C ATOM 397 OG SER A 28 32.440 43.310 -4.713 1.00 0.00 O ATOM 0 H SER A 28 34.745 45.057 -7.321 1.00 0.00 H new ATOM 0 HA SER A 28 33.019 45.800 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 28 32.859 43.750 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.192 43.067 -5.773 1.00 0.00 H new ATOM 0 HG SER A 28 32.128 42.408 -4.937 1.00 0.00 H new ATOM 403 N MET A 29 36.064 44.755 -4.499 1.00 0.00 N ATOM 404 CA MET A 29 37.076 44.684 -3.459 1.00 0.00 C ATOM 405 C MET A 29 37.277 46.047 -2.794 1.00 0.00 C ATOM 406 O MET A 29 37.702 46.124 -1.643 1.00 0.00 O ATOM 407 CB MET A 29 38.399 44.211 -4.066 1.00 0.00 C ATOM 408 CG MET A 29 38.403 42.693 -4.255 1.00 0.00 C ATOM 409 SD MET A 29 40.075 42.112 -4.487 1.00 0.00 S ATOM 410 CE MET A 29 39.909 41.315 -6.076 1.00 0.00 C ATOM 0 H MET A 29 36.388 44.487 -5.428 1.00 0.00 H new ATOM 0 HA MET A 29 36.741 43.977 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 29 38.559 44.701 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 29 39.226 44.503 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 29 37.958 42.209 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 29 37.793 42.424 -5.117 1.00 0.00 H new ATOM 0 HE1 MET A 29 40.869 40.894 -6.374 1.00 0.00 H new ATOM 0 HE2 MET A 29 39.169 40.518 -6.008 1.00 0.00 H new ATOM 0 HE3 MET A 29 39.587 42.046 -6.818 1.00 0.00 H new ATOM 420 N GLY A 30 36.963 47.090 -3.549 1.00 0.00 N ATOM 421 CA GLY A 30 37.104 48.446 -3.048 1.00 0.00 C ATOM 422 C GLY A 30 38.214 49.192 -3.790 1.00 0.00 C ATOM 423 O GLY A 30 38.832 50.102 -3.239 1.00 0.00 O ATOM 0 H GLY A 30 36.611 47.023 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 30 36.161 48.980 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 37.327 48.422 -1.981 1.00 0.00 H new ATOM 427 N PHE A 31 38.434 48.780 -5.030 1.00 0.00 N ATOM 428 CA PHE A 31 39.460 49.398 -5.853 1.00 0.00 C ATOM 429 C PHE A 31 38.835 50.249 -6.960 1.00 0.00 C ATOM 430 O PHE A 31 37.779 49.907 -7.490 1.00 0.00 O ATOM 431 CB PHE A 31 40.265 48.264 -6.491 1.00 0.00 C ATOM 432 CG PHE A 31 41.239 47.576 -5.533 1.00 0.00 C ATOM 433 CD1 PHE A 31 40.794 46.600 -4.697 1.00 0.00 C ATOM 434 CD2 PHE A 31 42.549 47.941 -5.516 1.00 0.00 C ATOM 435 CE1 PHE A 31 41.698 45.961 -3.807 1.00 0.00 C ATOM 436 CE2 PHE A 31 43.453 47.303 -4.627 1.00 0.00 C ATOM 437 CZ PHE A 31 43.008 46.326 -3.791 1.00 0.00 C ATOM 0 H PHE A 31 37.919 48.026 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 31 40.086 50.048 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.574 47.520 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 31 40.824 48.661 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 31 39.754 46.311 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 31 42.902 48.717 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 41.345 45.186 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 31 44.493 47.593 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 31 43.695 45.840 -3.114 1.00 0.00 H new ATOM 447 N PRO A 32 39.531 51.372 -7.284 1.00 0.00 N ATOM 448 CA PRO A 32 39.055 52.275 -8.318 1.00 0.00 C ATOM 449 C PRO A 32 39.289 51.686 -9.711 1.00 0.00 C ATOM 450 O PRO A 32 40.306 51.037 -9.951 1.00 0.00 O ATOM 451 CB PRO A 32 39.813 53.572 -8.087 1.00 0.00 C ATOM 452 CG PRO A 32 41.015 53.205 -7.232 1.00 0.00 C ATOM 453 CD PRO A 32 40.784 51.809 -6.677 1.00 0.00 C ATOM 0 HA PRO A 32 37.979 52.443 -8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 32 40.127 54.015 -9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 32 39.185 54.307 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 32 41.929 53.233 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 32 41.140 53.922 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 32 41.604 51.139 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 32 40.714 51.822 -5.589 1.00 0.00 H new ATOM 461 N ARG A 33 38.331 51.933 -10.592 1.00 0.00 N ATOM 462 CA ARG A 33 38.420 51.436 -11.954 1.00 0.00 C ATOM 463 C ARG A 33 39.819 51.686 -12.520 1.00 0.00 C ATOM 464 O ARG A 33 40.463 50.767 -13.024 1.00 0.00 O ATOM 465 CB ARG A 33 37.384 52.110 -12.856 1.00 0.00 C ATOM 466 CG ARG A 33 37.321 51.428 -14.223 1.00 0.00 C ATOM 467 CD ARG A 33 36.307 52.121 -15.136 1.00 0.00 C ATOM 468 NE ARG A 33 35.815 51.173 -16.159 1.00 0.00 N ATOM 469 CZ ARG A 33 35.020 51.516 -17.182 1.00 0.00 C ATOM 470 NH1 ARG A 33 34.623 52.788 -17.323 1.00 0.00 N ATOM 471 NH2 ARG A 33 34.622 50.588 -18.063 1.00 0.00 N ATOM 0 H ARG A 33 37.489 52.471 -10.389 1.00 0.00 H new ATOM 0 HA ARG A 33 38.220 50.365 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 33 36.404 52.072 -12.381 1.00 0.00 H new ATOM 0 HB3 ARG A 33 37.636 53.163 -12.982 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.307 51.446 -14.688 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.047 50.380 -14.098 1.00 0.00 H new ATOM 0 HD2 ARG A 33 35.472 52.497 -14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 33 36.769 52.982 -15.619 1.00 0.00 H new ATOM 0 HE ARG A 33 36.099 50.196 -16.081 1.00 0.00 H new ATOM 0 HH11 ARG A 33 34.926 53.494 -16.652 1.00 0.00 H new ATOM 0 HH12 ARG A 33 34.018 53.050 -18.101 1.00 0.00 H new ATOM 0 HH21 ARG A 33 34.924 49.620 -17.955 1.00 0.00 H new ATOM 0 HH22 ARG A 33 34.017 50.850 -18.841 1.00 0.00 H new ATOM 485 N ALA A 34 40.249 52.935 -12.418 1.00 0.00 N ATOM 486 CA ALA A 34 41.560 53.319 -12.913 1.00 0.00 C ATOM 487 C ALA A 34 42.609 52.343 -12.376 1.00 0.00 C ATOM 488 O ALA A 34 43.206 51.585 -13.140 1.00 0.00 O ATOM 489 CB ALA A 34 41.854 54.767 -12.516 1.00 0.00 C ATOM 0 H ALA A 34 39.712 53.695 -11.999 1.00 0.00 H new ATOM 0 HA ALA A 34 41.588 53.268 -14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.838 55.054 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 34 41.098 55.423 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.836 54.857 -11.430 1.00 0.00 H new ATOM 495 N ARG A 35 42.801 52.392 -11.066 1.00 0.00 N ATOM 496 CA ARG A 35 43.768 51.522 -10.418 1.00 0.00 C ATOM 497 C ARG A 35 43.735 50.129 -11.050 1.00 0.00 C ATOM 498 O ARG A 35 44.758 49.630 -11.517 1.00 0.00 O ATOM 499 CB ARG A 35 43.483 51.402 -8.920 1.00 0.00 C ATOM 500 CG ARG A 35 44.217 52.489 -8.133 1.00 0.00 C ATOM 501 CD ARG A 35 45.700 52.147 -7.978 1.00 0.00 C ATOM 502 NE ARG A 35 46.533 53.285 -8.428 1.00 0.00 N ATOM 503 CZ ARG A 35 47.872 53.302 -8.378 1.00 0.00 C ATOM 504 NH1 ARG A 35 48.538 52.244 -7.897 1.00 0.00 N ATOM 505 NH2 ARG A 35 48.544 54.378 -8.808 1.00 0.00 N ATOM 0 H ARG A 35 42.303 53.021 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 35 44.755 51.963 -10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 35 42.410 51.481 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 35 43.793 50.419 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 35 44.112 53.446 -8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 35 43.761 52.601 -7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 35 45.921 51.914 -6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 35 45.939 51.258 -8.561 1.00 0.00 H new ATOM 0 HE ARG A 35 46.058 54.108 -8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 35 48.026 51.425 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 35 49.557 52.257 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 35 48.036 55.184 -9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 35 49.563 54.391 -8.770 1.00 0.00 H new ATOM 519 N ALA A 36 42.548 49.539 -11.044 1.00 0.00 N ATOM 520 CA ALA A 36 42.368 48.214 -11.611 1.00 0.00 C ATOM 521 C ALA A 36 42.777 48.234 -13.085 1.00 0.00 C ATOM 522 O ALA A 36 43.483 47.340 -13.550 1.00 0.00 O ATOM 523 CB ALA A 36 40.918 47.766 -11.414 1.00 0.00 C ATOM 0 H ALA A 36 41.702 49.955 -10.655 1.00 0.00 H new ATOM 0 HA ALA A 36 43.005 47.490 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 36 40.783 46.772 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.687 47.739 -10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.249 48.468 -11.913 1.00 0.00 H new ATOM 529 N GLN A 37 42.316 49.264 -13.780 1.00 0.00 N ATOM 530 CA GLN A 37 42.625 49.412 -15.192 1.00 0.00 C ATOM 531 C GLN A 37 44.138 49.356 -15.413 1.00 0.00 C ATOM 532 O GLN A 37 44.634 48.475 -16.113 1.00 0.00 O ATOM 533 CB GLN A 37 42.037 50.711 -15.748 1.00 0.00 C ATOM 534 CG GLN A 37 40.676 50.461 -16.401 1.00 0.00 C ATOM 535 CD GLN A 37 40.725 50.760 -17.901 1.00 0.00 C ATOM 536 OE1 GLN A 37 41.558 50.254 -18.634 1.00 0.00 O ATOM 537 NE2 GLN A 37 39.787 51.608 -18.314 1.00 0.00 N ATOM 0 H GLN A 37 41.731 50.004 -13.391 1.00 0.00 H new ATOM 0 HA GLN A 37 42.168 48.584 -15.733 1.00 0.00 H new ATOM 0 HB2 GLN A 37 41.930 51.440 -14.944 1.00 0.00 H new ATOM 0 HB3 GLN A 37 42.722 51.141 -16.479 1.00 0.00 H new ATOM 0 HG2 GLN A 37 40.377 49.425 -16.243 1.00 0.00 H new ATOM 0 HG3 GLN A 37 39.920 51.087 -15.926 1.00 0.00 H new ATOM 0 HE21 GLN A 37 39.120 51.995 -17.647 1.00 0.00 H new ATOM 0 HE22 GLN A 37 39.735 51.871 -19.298 1.00 0.00 H new ATOM 546 N LYS A 38 44.828 50.308 -14.803 1.00 0.00 N ATOM 547 CA LYS A 38 46.275 50.378 -14.924 1.00 0.00 C ATOM 548 C LYS A 38 46.871 48.991 -14.676 1.00 0.00 C ATOM 549 O LYS A 38 47.614 48.473 -15.509 1.00 0.00 O ATOM 550 CB LYS A 38 46.838 51.463 -14.004 1.00 0.00 C ATOM 551 CG LYS A 38 48.259 51.849 -14.417 1.00 0.00 C ATOM 552 CD LYS A 38 48.497 53.349 -14.227 1.00 0.00 C ATOM 553 CE LYS A 38 48.318 54.104 -15.545 1.00 0.00 C ATOM 554 NZ LYS A 38 48.845 55.482 -15.429 1.00 0.00 N ATOM 0 H LYS A 38 44.413 51.037 -14.224 1.00 0.00 H new ATOM 0 HA LYS A 38 46.559 50.671 -15.935 1.00 0.00 H new ATOM 0 HB2 LYS A 38 46.195 52.342 -14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 38 46.839 51.107 -12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 38 48.980 51.285 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 38 48.424 51.580 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 47.803 53.740 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 38 49.503 53.515 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 38 48.836 53.577 -16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 47.262 54.134 -15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 48.715 55.980 -16.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 48.333 55.988 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 49.858 55.448 -15.195 1.00 0.00 H new ATOM 568 N ALA A 39 46.523 48.429 -13.528 1.00 0.00 N ATOM 569 CA ALA A 39 47.014 47.112 -13.161 1.00 0.00 C ATOM 570 C ALA A 39 46.674 46.117 -14.272 1.00 0.00 C ATOM 571 O ALA A 39 47.568 45.538 -14.887 1.00 0.00 O ATOM 572 CB ALA A 39 46.421 46.704 -11.811 1.00 0.00 C ATOM 0 H ALA A 39 45.907 48.862 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 39 48.098 47.124 -13.051 1.00 0.00 H new ATOM 0 HB1 ALA A 39 46.789 45.716 -11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 39 46.717 47.427 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 39 45.334 46.679 -11.884 1.00 0.00 H new ATOM 578 N LEU A 40 45.379 45.948 -14.495 1.00 0.00 N ATOM 579 CA LEU A 40 44.909 45.033 -15.521 1.00 0.00 C ATOM 580 C LEU A 40 45.794 45.168 -16.762 1.00 0.00 C ATOM 581 O LEU A 40 46.431 44.204 -17.183 1.00 0.00 O ATOM 582 CB LEU A 40 43.422 45.257 -15.799 1.00 0.00 C ATOM 583 CG LEU A 40 42.449 44.597 -14.820 1.00 0.00 C ATOM 584 CD1 LEU A 40 41.222 45.480 -14.586 1.00 0.00 C ATOM 585 CD2 LEU A 40 42.064 43.194 -15.292 1.00 0.00 C ATOM 0 H LEU A 40 44.640 46.430 -13.982 1.00 0.00 H new ATOM 0 HA LEU A 40 44.993 44.001 -15.179 1.00 0.00 H new ATOM 0 HB2 LEU A 40 43.231 46.330 -15.802 1.00 0.00 H new ATOM 0 HB3 LEU A 40 43.201 44.891 -16.802 1.00 0.00 H new ATOM 0 HG LEU A 40 42.953 44.487 -13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 40 40.547 44.987 -13.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 41.537 46.438 -14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 40 40.707 45.645 -15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 40 41.372 42.747 -14.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 41.586 43.257 -16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 40 42.959 42.576 -15.365 1.00 0.00 H new ATOM 597 N ALA A 41 45.805 46.373 -17.314 1.00 0.00 N ATOM 598 CA ALA A 41 46.601 46.647 -18.498 1.00 0.00 C ATOM 599 C ALA A 41 47.974 45.987 -18.348 1.00 0.00 C ATOM 600 O ALA A 41 48.333 45.109 -19.131 1.00 0.00 O ATOM 601 CB ALA A 41 46.700 48.159 -18.709 1.00 0.00 C ATOM 0 H ALA A 41 45.275 47.171 -16.963 1.00 0.00 H new ATOM 0 HA ALA A 41 46.128 46.225 -19.385 1.00 0.00 H new ATOM 0 HB1 ALA A 41 47.297 48.364 -19.597 1.00 0.00 H new ATOM 0 HB2 ALA A 41 45.701 48.574 -18.840 1.00 0.00 H new ATOM 0 HB3 ALA A 41 47.173 48.617 -17.840 1.00 0.00 H new ATOM 607 N SER A 42 48.703 46.437 -17.338 1.00 0.00 N ATOM 608 CA SER A 42 50.029 45.902 -17.076 1.00 0.00 C ATOM 609 C SER A 42 50.018 44.380 -17.230 1.00 0.00 C ATOM 610 O SER A 42 50.778 43.827 -18.023 1.00 0.00 O ATOM 611 CB SER A 42 50.513 46.291 -15.678 1.00 0.00 C ATOM 612 OG SER A 42 50.747 47.692 -15.564 1.00 0.00 O ATOM 0 H SER A 42 48.401 47.166 -16.691 1.00 0.00 H new ATOM 0 HA SER A 42 50.721 46.329 -17.802 1.00 0.00 H new ATOM 0 HB2 SER A 42 49.771 45.986 -14.940 1.00 0.00 H new ATOM 0 HB3 SER A 42 51.431 45.750 -15.449 1.00 0.00 H new ATOM 0 HG SER A 42 51.053 47.900 -14.657 1.00 0.00 H new ATOM 618 N THR A 43 49.148 43.745 -16.458 1.00 0.00 N ATOM 619 CA THR A 43 49.029 42.297 -16.499 1.00 0.00 C ATOM 620 C THR A 43 47.977 41.878 -17.528 1.00 0.00 C ATOM 621 O THR A 43 47.290 40.874 -17.345 1.00 0.00 O ATOM 622 CB THR A 43 48.722 41.808 -15.082 1.00 0.00 C ATOM 623 OG1 THR A 43 47.331 42.072 -14.917 1.00 0.00 O ATOM 624 CG2 THR A 43 49.393 42.666 -14.008 1.00 0.00 C ATOM 0 H THR A 43 48.519 44.206 -15.801 1.00 0.00 H new ATOM 0 HA THR A 43 49.960 41.832 -16.824 1.00 0.00 H new ATOM 0 HB THR A 43 49.049 40.773 -14.977 1.00 0.00 H new ATOM 0 HG1 THR A 43 47.047 41.784 -14.024 1.00 0.00 H new ATOM 0 HG21 THR A 43 49.143 42.276 -13.022 1.00 0.00 H new ATOM 0 HG22 THR A 43 50.474 42.640 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 43 49.041 43.694 -14.091 1.00 0.00 H new ATOM 632 N GLY A 44 47.884 42.668 -18.587 1.00 0.00 N ATOM 633 CA GLY A 44 46.927 42.391 -19.645 1.00 0.00 C ATOM 634 C GLY A 44 45.491 42.507 -19.131 1.00 0.00 C ATOM 635 O GLY A 44 44.863 43.556 -19.264 1.00 0.00 O ATOM 0 H GLY A 44 48.455 43.500 -18.735 1.00 0.00 H new ATOM 0 HA2 GLY A 44 47.079 43.088 -20.469 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.096 41.389 -20.039 1.00 0.00 H new ATOM 639 N GLY A 45 45.013 41.415 -18.553 1.00 0.00 N ATOM 640 CA GLY A 45 43.663 41.381 -18.018 1.00 0.00 C ATOM 641 C GLY A 45 43.097 39.960 -18.046 1.00 0.00 C ATOM 642 O GLY A 45 42.056 39.714 -18.652 1.00 0.00 O ATOM 0 H GLY A 45 45.537 40.547 -18.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 43.664 41.755 -16.994 1.00 0.00 H new ATOM 0 HA3 GLY A 45 43.021 42.043 -18.599 1.00 0.00 H new ATOM 646 N ARG A 46 43.809 39.061 -17.381 1.00 0.00 N ATOM 647 CA ARG A 46 43.391 37.670 -17.322 1.00 0.00 C ATOM 648 C ARG A 46 42.879 37.329 -15.921 1.00 0.00 C ATOM 649 O ARG A 46 41.753 36.860 -15.765 1.00 0.00 O ATOM 650 CB ARG A 46 44.546 36.733 -17.678 1.00 0.00 C ATOM 651 CG ARG A 46 44.322 36.080 -19.044 1.00 0.00 C ATOM 652 CD ARG A 46 44.685 37.041 -20.177 1.00 0.00 C ATOM 653 NE ARG A 46 43.961 36.665 -21.412 1.00 0.00 N ATOM 654 CZ ARG A 46 44.317 37.059 -22.642 1.00 0.00 C ATOM 655 NH1 ARG A 46 45.390 37.844 -22.809 1.00 0.00 N ATOM 656 NH2 ARG A 46 43.600 36.669 -23.704 1.00 0.00 N ATOM 0 H ARG A 46 44.672 39.269 -16.879 1.00 0.00 H new ATOM 0 HA ARG A 46 42.590 37.533 -18.048 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.482 37.291 -17.687 1.00 0.00 H new ATOM 0 HB3 ARG A 46 44.642 35.962 -16.914 1.00 0.00 H new ATOM 0 HG2 ARG A 46 44.925 35.176 -19.122 1.00 0.00 H new ATOM 0 HG3 ARG A 46 43.279 35.777 -19.140 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.431 38.062 -19.894 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.760 37.017 -20.355 1.00 0.00 H new ATOM 0 HE ARG A 46 43.139 36.068 -21.321 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.935 38.141 -22.000 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.661 38.144 -23.745 1.00 0.00 H new ATOM 0 HH21 ARG A 46 42.783 36.072 -23.576 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.871 36.969 -24.640 1.00 0.00 H new ATOM 670 N SER A 47 43.732 37.578 -14.938 1.00 0.00 N ATOM 671 CA SER A 47 43.380 37.302 -13.555 1.00 0.00 C ATOM 672 C SER A 47 43.421 38.595 -12.737 1.00 0.00 C ATOM 673 O SER A 47 44.223 39.485 -13.017 1.00 0.00 O ATOM 674 CB SER A 47 44.317 36.258 -12.946 1.00 0.00 C ATOM 675 OG SER A 47 43.926 35.897 -11.624 1.00 0.00 O ATOM 0 H SER A 47 44.665 37.968 -15.071 1.00 0.00 H new ATOM 0 HA SER A 47 42.368 36.898 -13.533 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.328 35.369 -13.576 1.00 0.00 H new ATOM 0 HB3 SER A 47 45.334 36.649 -12.929 1.00 0.00 H new ATOM 0 HG SER A 47 44.548 35.227 -11.270 1.00 0.00 H new ATOM 681 N VAL A 48 42.548 38.657 -11.743 1.00 0.00 N ATOM 682 CA VAL A 48 42.475 39.826 -10.883 1.00 0.00 C ATOM 683 C VAL A 48 43.510 39.695 -9.764 1.00 0.00 C ATOM 684 O VAL A 48 43.963 40.697 -9.213 1.00 0.00 O ATOM 685 CB VAL A 48 41.048 40.002 -10.360 1.00 0.00 C ATOM 686 CG1 VAL A 48 40.060 40.188 -11.513 1.00 0.00 C ATOM 687 CG2 VAL A 48 40.640 38.824 -9.473 1.00 0.00 C ATOM 0 H VAL A 48 41.885 37.917 -11.514 1.00 0.00 H new ATOM 0 HA VAL A 48 42.715 40.729 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 48 41.024 40.905 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 48 39.053 40.311 -11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 40.333 41.074 -12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.089 39.312 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 48 39.622 38.974 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 40.689 37.900 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 48 41.318 38.757 -8.622 1.00 0.00 H new ATOM 697 N GLN A 49 43.854 38.452 -9.462 1.00 0.00 N ATOM 698 CA GLN A 49 44.827 38.178 -8.418 1.00 0.00 C ATOM 699 C GLN A 49 46.202 38.715 -8.820 1.00 0.00 C ATOM 700 O GLN A 49 46.889 39.340 -8.013 1.00 0.00 O ATOM 701 CB GLN A 49 44.893 36.681 -8.109 1.00 0.00 C ATOM 702 CG GLN A 49 44.692 36.420 -6.615 1.00 0.00 C ATOM 703 CD GLN A 49 43.295 35.861 -6.339 1.00 0.00 C ATOM 704 OE1 GLN A 49 43.082 34.662 -6.260 1.00 0.00 O ATOM 705 NE2 GLN A 49 42.358 36.794 -6.197 1.00 0.00 N ATOM 0 H GLN A 49 43.477 37.623 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 49 44.509 38.690 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 49 44.128 36.154 -8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 49 45.857 36.283 -8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 49 45.446 35.717 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 49 44.833 37.346 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 49 42.605 37.781 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 49 41.393 36.523 -6.010 1.00 0.00 H new ATOM 714 N THR A 50 46.563 38.453 -10.068 1.00 0.00 N ATOM 715 CA THR A 50 47.844 38.902 -10.587 1.00 0.00 C ATOM 716 C THR A 50 47.929 40.429 -10.546 1.00 0.00 C ATOM 717 O THR A 50 48.913 40.986 -10.061 1.00 0.00 O ATOM 718 CB THR A 50 48.014 38.321 -11.992 1.00 0.00 C ATOM 719 OG1 THR A 50 48.256 36.935 -11.768 1.00 0.00 O ATOM 720 CG2 THR A 50 49.289 38.816 -12.679 1.00 0.00 C ATOM 0 H THR A 50 45.991 37.935 -10.735 1.00 0.00 H new ATOM 0 HA THR A 50 48.669 38.545 -9.970 1.00 0.00 H new ATOM 0 HB THR A 50 47.148 38.583 -12.600 1.00 0.00 H new ATOM 0 HG1 THR A 50 48.376 36.481 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 50 49.362 38.374 -13.673 1.00 0.00 H new ATOM 0 HG22 THR A 50 49.257 39.902 -12.766 1.00 0.00 H new ATOM 0 HG23 THR A 50 50.157 38.525 -12.088 1.00 0.00 H new ATOM 728 N ALA A 51 46.886 41.063 -11.061 1.00 0.00 N ATOM 729 CA ALA A 51 46.831 42.514 -11.090 1.00 0.00 C ATOM 730 C ALA A 51 47.018 43.055 -9.671 1.00 0.00 C ATOM 731 O ALA A 51 47.839 43.943 -9.444 1.00 0.00 O ATOM 732 CB ALA A 51 45.509 42.963 -11.716 1.00 0.00 C ATOM 0 H ALA A 51 46.072 40.598 -11.462 1.00 0.00 H new ATOM 0 HA ALA A 51 47.636 42.916 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 51 45.468 44.052 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 51 45.438 42.577 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 51 44.678 42.580 -11.124 1.00 0.00 H new ATOM 738 N CYS A 52 46.243 42.497 -8.752 1.00 0.00 N ATOM 739 CA CYS A 52 46.313 42.913 -7.362 1.00 0.00 C ATOM 740 C CYS A 52 47.784 42.944 -6.943 1.00 0.00 C ATOM 741 O CYS A 52 48.263 43.948 -6.419 1.00 0.00 O ATOM 742 CB CYS A 52 45.481 42.002 -6.457 1.00 0.00 C ATOM 743 SG CYS A 52 43.876 42.794 -6.077 1.00 0.00 S ATOM 0 H CYS A 52 45.564 41.761 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 52 45.885 43.910 -7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 52 45.315 41.042 -6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 52 46.024 41.799 -5.534 1.00 0.00 H new ATOM 0 HG CYS A 52 43.177 42.011 -5.310 1.00 0.00 H new ATOM 749 N ASP A 53 48.460 41.831 -7.190 1.00 0.00 N ATOM 750 CA ASP A 53 49.867 41.718 -6.845 1.00 0.00 C ATOM 751 C ASP A 53 50.622 42.928 -7.399 1.00 0.00 C ATOM 752 O ASP A 53 51.397 43.562 -6.684 1.00 0.00 O ATOM 753 CB ASP A 53 50.484 40.457 -7.453 1.00 0.00 C ATOM 754 CG ASP A 53 51.651 39.862 -6.663 1.00 0.00 C ATOM 755 OD1 ASP A 53 51.376 39.302 -5.580 1.00 0.00 O ATOM 756 OD2 ASP A 53 52.792 39.982 -7.159 1.00 0.00 O ATOM 0 H ASP A 53 48.059 41.000 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 53 49.945 41.670 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 53 49.706 39.700 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 50.828 40.689 -8.461 1.00 0.00 H new ATOM 761 N TRP A 54 50.370 43.212 -8.669 1.00 0.00 N ATOM 762 CA TRP A 54 51.017 44.334 -9.327 1.00 0.00 C ATOM 763 C TRP A 54 50.663 45.605 -8.551 1.00 0.00 C ATOM 764 O TRP A 54 51.548 46.365 -8.162 1.00 0.00 O ATOM 765 CB TRP A 54 50.622 44.406 -10.803 1.00 0.00 C ATOM 766 CG TRP A 54 51.322 45.522 -11.582 1.00 0.00 C ATOM 767 CD1 TRP A 54 52.395 45.425 -12.377 1.00 0.00 C ATOM 768 CD2 TRP A 54 50.950 46.916 -11.606 1.00 0.00 C ATOM 769 NE1 TRP A 54 52.742 46.650 -12.911 1.00 0.00 N ATOM 770 CE2 TRP A 54 51.835 47.586 -12.427 1.00 0.00 C ATOM 771 CE3 TRP A 54 49.901 47.590 -10.956 1.00 0.00 C ATOM 772 CZ2 TRP A 54 51.761 48.962 -12.673 1.00 0.00 C ATOM 773 CZ3 TRP A 54 49.840 48.965 -11.213 1.00 0.00 C ATOM 774 CH2 TRP A 54 50.723 49.653 -12.037 1.00 0.00 C ATOM 0 H TRP A 54 49.727 42.684 -9.259 1.00 0.00 H new ATOM 0 HA TRP A 54 52.100 44.212 -9.321 1.00 0.00 H new ATOM 0 HB2 TRP A 54 50.848 43.450 -11.276 1.00 0.00 H new ATOM 0 HB3 TRP A 54 49.544 44.549 -10.873 1.00 0.00 H new ATOM 0 HD1 TRP A 54 52.923 44.504 -12.576 1.00 0.00 H new ATOM 0 HE1 TRP A 54 53.520 46.834 -13.544 1.00 0.00 H new ATOM 0 HE3 TRP A 54 49.198 47.087 -10.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 52.467 49.463 -13.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 49.052 49.530 -10.738 1.00 0.00 H new ATOM 0 HH2 TRP A 54 50.609 50.717 -12.186 1.00 0.00 H new ATOM 785 N LEU A 55 49.368 45.796 -8.350 1.00 0.00 N ATOM 786 CA LEU A 55 48.886 46.961 -7.628 1.00 0.00 C ATOM 787 C LEU A 55 49.773 47.199 -6.404 1.00 0.00 C ATOM 788 O LEU A 55 50.452 48.221 -6.315 1.00 0.00 O ATOM 789 CB LEU A 55 47.402 46.807 -7.291 1.00 0.00 C ATOM 790 CG LEU A 55 46.418 47.325 -8.343 1.00 0.00 C ATOM 791 CD1 LEU A 55 45.098 46.554 -8.286 1.00 0.00 C ATOM 792 CD2 LEU A 55 46.207 48.834 -8.200 1.00 0.00 C ATOM 0 H LEU A 55 48.637 45.163 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 55 48.956 47.852 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 55 47.197 45.750 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 55 47.207 47.326 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 55 46.849 47.152 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 55 44.417 46.942 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 45.286 45.497 -8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 55 44.649 46.673 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 45.504 49.177 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 45.807 49.053 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 47.159 49.348 -8.329 1.00 0.00 H new ATOM 804 N PHE A 56 49.737 46.240 -5.491 1.00 0.00 N ATOM 805 CA PHE A 56 50.529 46.332 -4.276 1.00 0.00 C ATOM 806 C PHE A 56 52.015 46.499 -4.602 1.00 0.00 C ATOM 807 O PHE A 56 52.654 47.442 -4.138 1.00 0.00 O ATOM 808 CB PHE A 56 50.330 45.022 -3.512 1.00 0.00 C ATOM 809 CG PHE A 56 48.865 44.621 -3.335 1.00 0.00 C ATOM 810 CD1 PHE A 56 47.952 45.542 -2.924 1.00 0.00 C ATOM 811 CD2 PHE A 56 48.474 43.343 -3.589 1.00 0.00 C ATOM 812 CE1 PHE A 56 46.592 45.170 -2.760 1.00 0.00 C ATOM 813 CE2 PHE A 56 47.114 42.971 -3.425 1.00 0.00 C ATOM 814 CZ PHE A 56 46.201 43.892 -3.014 1.00 0.00 C ATOM 0 H PHE A 56 49.171 45.395 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 56 50.214 47.196 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 56 50.853 44.224 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 56 50.792 45.113 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 56 48.262 46.557 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 56 49.198 42.611 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 56 45.868 45.902 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 56 46.804 41.956 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 56 45.166 43.609 -2.889 1.00 0.00 H new