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 Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) 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 -146:sc= 1.39 USER MOD Single : A 43 THR OG1 : rot -71:sc= -0.117 USER MOD Single : A 47 SER OG : rot 180:sc=-0.000808 USER MOD Single : A 49 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.1!) USER MOD Single : A 50 THR OG1 : rot 155:sc= -0.399 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 297 N ALA A 22 0.327 -33.933 7.772 1.00 0.00 N ATOM 298 CA ALA A 22 0.082 -34.586 6.497 1.00 0.00 C ATOM 299 C ALA A 22 -1.425 -34.773 6.307 1.00 0.00 C ATOM 300 O ALA A 22 -1.926 -34.698 5.186 1.00 0.00 O ATOM 301 CB ALA A 22 0.844 -35.912 6.447 1.00 0.00 C ATOM 0 HA ALA A 22 0.445 -33.970 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.660 -36.402 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.912 -35.723 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.504 -36.558 7.257 1.00 0.00 H new ATOM 307 N LEU A 23 -2.104 -35.013 7.418 1.00 0.00 N ATOM 308 CA LEU A 23 -3.543 -35.211 7.388 1.00 0.00 C ATOM 309 C LEU A 23 -4.230 -33.883 7.062 1.00 0.00 C ATOM 310 O LEU A 23 -4.935 -33.774 6.060 1.00 0.00 O ATOM 311 CB LEU A 23 -4.024 -35.848 8.693 1.00 0.00 C ATOM 312 CG LEU A 23 -5.485 -35.589 9.067 1.00 0.00 C ATOM 313 CD1 LEU A 23 -6.431 -36.155 8.007 1.00 0.00 C ATOM 314 CD2 LEU A 23 -5.798 -36.132 10.463 1.00 0.00 C ATOM 0 H LEU A 23 -1.684 -35.075 8.346 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.814 -35.913 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.872 -36.925 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.392 -35.487 9.505 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.644 -34.511 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.463 -35.957 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.227 -35.681 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.278 -37.231 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.843 -35.935 10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.617 -37.207 10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.158 -35.642 11.196 1.00 0.00 H new ATOM 326 N ASP A 24 -4.000 -32.906 7.928 1.00 0.00 N ATOM 327 CA ASP A 24 -4.588 -31.590 7.744 1.00 0.00 C ATOM 328 C ASP A 24 -4.526 -31.211 6.263 1.00 0.00 C ATOM 329 O ASP A 24 -5.468 -30.628 5.728 1.00 0.00 O ATOM 330 CB ASP A 24 -3.821 -30.530 8.536 1.00 0.00 C ATOM 331 CG ASP A 24 -4.558 -29.976 9.757 1.00 0.00 C ATOM 332 OD1 ASP A 24 -5.604 -30.566 10.105 1.00 0.00 O ATOM 333 OD2 ASP A 24 -4.059 -28.975 10.316 1.00 0.00 O ATOM 0 H ASP A 24 -3.415 -33.000 8.758 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.619 -31.628 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.874 -30.958 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.581 -29.702 7.869 1.00 0.00 H new ATOM 338 N VAL A 25 -3.408 -31.557 5.643 1.00 0.00 N ATOM 339 CA VAL A 25 -3.211 -31.259 4.234 1.00 0.00 C ATOM 340 C VAL A 25 -4.363 -31.858 3.425 1.00 0.00 C ATOM 341 O VAL A 25 -5.075 -31.139 2.726 1.00 0.00 O ATOM 342 CB VAL A 25 -1.838 -31.760 3.781 1.00 0.00 C ATOM 343 CG1 VAL A 25 -1.653 -31.564 2.275 1.00 0.00 C ATOM 344 CG2 VAL A 25 -0.718 -31.074 4.565 1.00 0.00 C ATOM 0 H VAL A 25 -2.629 -32.041 6.090 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.221 -30.182 4.066 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.786 -32.829 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.669 -31.928 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.422 -32.120 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.736 -30.504 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.247 -31.448 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.768 -29.997 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.834 -31.287 5.628 1.00 0.00 H new ATOM 354 N LEU A 26 -4.510 -33.170 3.547 1.00 0.00 N ATOM 355 CA LEU A 26 -5.564 -33.873 2.836 1.00 0.00 C ATOM 356 C LEU A 26 -6.903 -33.183 3.103 1.00 0.00 C ATOM 357 O LEU A 26 -7.664 -32.917 2.174 1.00 0.00 O ATOM 358 CB LEU A 26 -5.555 -35.360 3.199 1.00 0.00 C ATOM 359 CG LEU A 26 -4.516 -36.220 2.477 1.00 0.00 C ATOM 360 CD1 LEU A 26 -3.988 -37.326 3.393 1.00 0.00 C ATOM 361 CD2 LEU A 26 -5.082 -36.781 1.170 1.00 0.00 C ATOM 0 H LEU A 26 -3.917 -33.763 4.127 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.392 -33.829 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.390 -35.451 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.544 -35.770 2.993 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.669 -35.586 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.251 -37.923 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.522 -36.879 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.814 -37.965 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.324 -37.389 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.956 -37.396 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.370 -35.958 0.516 1.00 0.00 H new ATOM 373 N LEU A 27 -7.150 -32.913 4.376 1.00 0.00 N ATOM 374 CA LEU A 27 -8.383 -32.259 4.777 1.00 0.00 C ATOM 375 C LEU A 27 -8.534 -30.947 4.005 1.00 0.00 C ATOM 376 O LEU A 27 -9.646 -30.548 3.662 1.00 0.00 O ATOM 377 CB LEU A 27 -8.430 -32.087 6.297 1.00 0.00 C ATOM 378 CG LEU A 27 -8.424 -33.378 7.118 1.00 0.00 C ATOM 379 CD1 LEU A 27 -8.228 -33.080 8.606 1.00 0.00 C ATOM 380 CD2 LEU A 27 -9.690 -34.198 6.860 1.00 0.00 C ATOM 0 H LEU A 27 -6.516 -33.136 5.144 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.242 -32.880 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.576 -31.482 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.327 -31.522 6.551 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.577 -33.984 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.228 -34.014 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.277 -32.568 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.040 -32.445 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.660 -35.110 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.566 -33.612 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.747 -34.457 5.803 1.00 0.00 H new ATOM 392 N SER A 28 -7.399 -30.311 3.754 1.00 0.00 N ATOM 393 CA SER A 28 -7.391 -29.052 3.029 1.00 0.00 C ATOM 394 C SER A 28 -7.724 -29.294 1.556 1.00 0.00 C ATOM 395 O SER A 28 -8.359 -28.459 0.914 1.00 0.00 O ATOM 396 CB SER A 28 -6.037 -28.351 3.158 1.00 0.00 C ATOM 397 OG SER A 28 -6.126 -26.959 2.866 1.00 0.00 O ATOM 0 H SER A 28 -6.478 -30.644 4.040 1.00 0.00 H new ATOM 0 HA SER A 28 -8.150 -28.402 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.654 -28.485 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.321 -28.818 2.482 1.00 0.00 H new ATOM 0 HG SER A 28 -5.242 -26.548 2.961 1.00 0.00 H new ATOM 403 N MET A 29 -7.282 -30.442 1.063 1.00 0.00 N ATOM 404 CA MET A 29 -7.525 -30.805 -0.323 1.00 0.00 C ATOM 405 C MET A 29 -9.017 -31.033 -0.576 1.00 0.00 C ATOM 406 O MET A 29 -9.486 -30.903 -1.705 1.00 0.00 O ATOM 407 CB MET A 29 -6.749 -32.079 -0.661 1.00 0.00 C ATOM 408 CG MET A 29 -5.387 -31.746 -1.273 1.00 0.00 C ATOM 409 SD MET A 29 -4.963 -32.956 -2.514 1.00 0.00 S ATOM 410 CE MET A 29 -3.340 -33.431 -1.943 1.00 0.00 C ATOM 0 H MET A 29 -6.757 -31.133 1.599 1.00 0.00 H new ATOM 0 HA MET A 29 -7.189 -29.985 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.610 -32.675 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 29 -7.326 -32.686 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.412 -30.751 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.624 -31.728 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.926 -34.187 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.687 -32.558 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.414 -33.838 -0.935 1.00 0.00 H new ATOM 420 N GLY A 30 -9.722 -31.369 0.495 1.00 0.00 N ATOM 421 CA GLY A 30 -11.150 -31.616 0.403 1.00 0.00 C ATOM 422 C GLY A 30 -11.474 -33.081 0.701 1.00 0.00 C ATOM 423 O GLY A 30 -12.486 -33.604 0.237 1.00 0.00 O ATOM 0 H GLY A 30 -9.330 -31.476 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.680 -30.973 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.504 -31.357 -0.595 1.00 0.00 H new ATOM 427 N PHE A 31 -10.595 -33.703 1.474 1.00 0.00 N ATOM 428 CA PHE A 31 -10.774 -35.098 1.839 1.00 0.00 C ATOM 429 C PHE A 31 -11.183 -35.232 3.307 1.00 0.00 C ATOM 430 O PHE A 31 -10.743 -34.453 4.151 1.00 0.00 O ATOM 431 CB PHE A 31 -9.425 -35.791 1.632 1.00 0.00 C ATOM 432 CG PHE A 31 -9.069 -36.034 0.164 1.00 0.00 C ATOM 433 CD1 PHE A 31 -8.428 -35.069 -0.549 1.00 0.00 C ATOM 434 CD2 PHE A 31 -9.394 -37.214 -0.429 1.00 0.00 C ATOM 435 CE1 PHE A 31 -8.098 -35.294 -1.912 1.00 0.00 C ATOM 436 CE2 PHE A 31 -9.064 -37.439 -1.791 1.00 0.00 C ATOM 437 CZ PHE A 31 -8.423 -36.475 -2.504 1.00 0.00 C ATOM 0 H PHE A 31 -9.757 -33.266 1.857 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.559 -35.545 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.643 -35.185 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.435 -36.747 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.170 -34.132 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.903 -37.980 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.589 -34.528 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.322 -38.376 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.172 -36.647 -3.540 1.00 0.00 H new ATOM 447 N PRO A 32 -12.042 -36.252 3.573 1.00 0.00 N ATOM 448 CA PRO A 32 -12.515 -36.499 4.924 1.00 0.00 C ATOM 449 C PRO A 32 -11.424 -37.149 5.777 1.00 0.00 C ATOM 450 O PRO A 32 -10.685 -38.007 5.298 1.00 0.00 O ATOM 451 CB PRO A 32 -13.742 -37.380 4.757 1.00 0.00 C ATOM 452 CG PRO A 32 -13.641 -37.975 3.362 1.00 0.00 C ATOM 453 CD PRO A 32 -12.583 -37.195 2.598 1.00 0.00 C ATOM 0 HA PRO A 32 -12.769 -35.581 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.767 -38.163 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.658 -36.800 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.373 -39.030 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.602 -37.916 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.806 -37.855 2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.015 -36.676 1.742 1.00 0.00 H new ATOM 461 N ARG A 33 -11.358 -36.715 7.028 1.00 0.00 N ATOM 462 CA ARG A 33 -10.369 -37.244 7.952 1.00 0.00 C ATOM 463 C ARG A 33 -10.203 -38.751 7.746 1.00 0.00 C ATOM 464 O ARG A 33 -9.131 -39.214 7.360 1.00 0.00 O ATOM 465 CB ARG A 33 -10.773 -36.976 9.403 1.00 0.00 C ATOM 466 CG ARG A 33 -9.740 -37.550 10.375 1.00 0.00 C ATOM 467 CD ARG A 33 -9.688 -36.731 11.667 1.00 0.00 C ATOM 468 NE ARG A 33 -9.837 -37.624 12.837 1.00 0.00 N ATOM 469 CZ ARG A 33 -8.848 -38.377 13.339 1.00 0.00 C ATOM 470 NH1 ARG A 33 -7.633 -38.349 12.774 1.00 0.00 N ATOM 471 NH2 ARG A 33 -9.074 -39.157 14.404 1.00 0.00 N ATOM 0 H ARG A 33 -11.973 -36.003 7.423 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.424 -36.740 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.872 -35.903 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.749 -37.419 9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.989 -38.586 10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.757 -37.556 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.742 -36.192 11.728 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.481 -35.984 11.666 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.750 -37.670 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.461 -37.755 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.880 -38.922 13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.999 -39.178 14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.321 -39.730 14.786 1.00 0.00 H new ATOM 485 N ALA A 34 -11.280 -39.475 8.014 1.00 0.00 N ATOM 486 CA ALA A 34 -11.267 -40.920 7.863 1.00 0.00 C ATOM 487 C ALA A 34 -10.496 -41.289 6.594 1.00 0.00 C ATOM 488 O ALA A 34 -9.527 -42.044 6.650 1.00 0.00 O ATOM 489 CB ALA A 34 -12.705 -41.445 7.845 1.00 0.00 C ATOM 0 H ALA A 34 -12.167 -39.088 8.335 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.759 -41.389 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.695 -42.529 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.200 -41.182 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.245 -40.998 7.010 1.00 0.00 H new ATOM 495 N ARG A 35 -10.956 -40.739 5.479 1.00 0.00 N ATOM 496 CA ARG A 35 -10.322 -41.001 4.199 1.00 0.00 C ATOM 497 C ARG A 35 -8.800 -40.924 4.335 1.00 0.00 C ATOM 498 O ARG A 35 -8.104 -41.918 4.132 1.00 0.00 O ATOM 499 CB ARG A 35 -10.784 -39.998 3.140 1.00 0.00 C ATOM 500 CG ARG A 35 -11.589 -40.693 2.040 1.00 0.00 C ATOM 501 CD ARG A 35 -12.910 -41.237 2.589 1.00 0.00 C ATOM 502 NE ARG A 35 -14.046 -40.654 1.841 1.00 0.00 N ATOM 503 CZ ARG A 35 -15.311 -41.084 1.941 1.00 0.00 C ATOM 504 NH1 ARG A 35 -15.609 -42.104 2.758 1.00 0.00 N ATOM 505 NH2 ARG A 35 -16.278 -40.495 1.225 1.00 0.00 N ATOM 0 H ARG A 35 -11.760 -40.113 5.436 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.612 -42.004 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.393 -39.225 3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.918 -39.501 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.789 -39.990 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.004 -41.509 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.928 -42.324 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.000 -40.997 3.648 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.854 -39.876 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.873 -42.552 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.572 -42.432 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.051 -39.719 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.241 -40.823 1.302 1.00 0.00 H new ATOM 519 N ALA A 36 -8.327 -39.735 4.677 1.00 0.00 N ATOM 520 CA ALA A 36 -6.901 -39.515 4.842 1.00 0.00 C ATOM 521 C ALA A 36 -6.357 -40.490 5.888 1.00 0.00 C ATOM 522 O ALA A 36 -5.290 -41.074 5.702 1.00 0.00 O ATOM 523 CB ALA A 36 -6.649 -38.054 5.221 1.00 0.00 C ATOM 0 H ALA A 36 -8.907 -38.913 4.845 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.373 -39.705 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.579 -37.890 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.027 -37.403 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.161 -37.827 6.156 1.00 0.00 H new ATOM 529 N GLN A 37 -7.115 -40.637 6.964 1.00 0.00 N ATOM 530 CA GLN A 37 -6.723 -41.532 8.040 1.00 0.00 C ATOM 531 C GLN A 37 -6.467 -42.938 7.494 1.00 0.00 C ATOM 532 O GLN A 37 -5.369 -43.473 7.637 1.00 0.00 O ATOM 533 CB GLN A 37 -7.779 -41.556 9.146 1.00 0.00 C ATOM 534 CG GLN A 37 -7.417 -40.586 10.272 1.00 0.00 C ATOM 535 CD GLN A 37 -7.158 -41.336 11.580 1.00 0.00 C ATOM 536 OE1 GLN A 37 -8.060 -41.855 12.217 1.00 0.00 O ATOM 537 NE2 GLN A 37 -5.879 -41.364 11.944 1.00 0.00 N ATOM 0 H GLN A 37 -7.999 -40.151 7.114 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.797 -41.159 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.751 -41.290 8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.869 -42.566 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.531 -40.015 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.226 -39.869 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.174 -40.909 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.603 -41.840 12.803 1.00 0.00 H new ATOM 546 N LYS A 38 -7.500 -43.497 6.881 1.00 0.00 N ATOM 547 CA LYS A 38 -7.401 -44.830 6.313 1.00 0.00 C ATOM 548 C LYS A 38 -6.165 -44.908 5.415 1.00 0.00 C ATOM 549 O LYS A 38 -5.314 -45.777 5.598 1.00 0.00 O ATOM 550 CB LYS A 38 -8.702 -45.207 5.601 1.00 0.00 C ATOM 551 CG LYS A 38 -9.826 -45.457 6.610 1.00 0.00 C ATOM 552 CD LYS A 38 -10.853 -46.444 6.053 1.00 0.00 C ATOM 553 CE LYS A 38 -11.275 -47.457 7.119 1.00 0.00 C ATOM 554 NZ LYS A 38 -12.335 -48.348 6.598 1.00 0.00 N ATOM 0 H LYS A 38 -8.410 -43.051 6.765 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.269 -45.570 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.992 -44.408 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.545 -46.101 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.407 -45.847 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.317 -44.515 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.728 -45.901 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.431 -46.968 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.413 -48.049 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.635 -46.933 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.609 -49.029 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.163 -47.780 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.979 -48.862 5.767 1.00 0.00 H new ATOM 568 N ALA A 39 -6.105 -43.987 4.464 1.00 0.00 N ATOM 569 CA ALA A 39 -4.987 -43.940 3.537 1.00 0.00 C ATOM 570 C ALA A 39 -3.678 -43.878 4.327 1.00 0.00 C ATOM 571 O ALA A 39 -2.858 -44.792 4.249 1.00 0.00 O ATOM 572 CB ALA A 39 -5.156 -42.747 2.594 1.00 0.00 C ATOM 0 H ALA A 39 -6.813 -43.268 4.316 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.959 -44.840 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.318 -42.711 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.086 -42.853 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.185 -41.825 3.175 1.00 0.00 H new ATOM 578 N LEU A 40 -3.522 -42.791 5.069 1.00 0.00 N ATOM 579 CA LEU A 40 -2.327 -42.598 5.872 1.00 0.00 C ATOM 580 C LEU A 40 -1.941 -43.924 6.531 1.00 0.00 C ATOM 581 O LEU A 40 -0.848 -44.440 6.302 1.00 0.00 O ATOM 582 CB LEU A 40 -2.529 -41.453 6.867 1.00 0.00 C ATOM 583 CG LEU A 40 -2.404 -40.039 6.296 1.00 0.00 C ATOM 584 CD1 LEU A 40 -3.368 -39.079 6.994 1.00 0.00 C ATOM 585 CD2 LEU A 40 -0.957 -39.547 6.362 1.00 0.00 C ATOM 0 H LEU A 40 -4.204 -42.035 5.131 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.489 -42.298 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.518 -41.557 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.802 -41.564 7.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.686 -40.069 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.259 -38.081 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.392 -39.424 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.141 -39.047 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.896 -38.540 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.624 -39.535 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.319 -40.215 5.783 1.00 0.00 H new ATOM 597 N ALA A 41 -2.859 -44.437 7.337 1.00 0.00 N ATOM 598 CA ALA A 41 -2.629 -45.693 8.030 1.00 0.00 C ATOM 599 C ALA A 41 -2.057 -46.716 7.047 1.00 0.00 C ATOM 600 O ALA A 41 -0.939 -47.198 7.227 1.00 0.00 O ATOM 601 CB ALA A 41 -3.933 -46.168 8.673 1.00 0.00 C ATOM 0 H ALA A 41 -3.764 -44.005 7.526 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.900 -45.562 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.760 -47.110 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.281 -45.420 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.688 -46.313 7.900 1.00 0.00 H new ATOM 607 N SER A 42 -2.849 -47.018 6.029 1.00 0.00 N ATOM 608 CA SER A 42 -2.435 -47.975 5.017 1.00 0.00 C ATOM 609 C SER A 42 -0.980 -47.720 4.619 1.00 0.00 C ATOM 610 O SER A 42 -0.175 -48.648 4.567 1.00 0.00 O ATOM 611 CB SER A 42 -3.343 -47.904 3.788 1.00 0.00 C ATOM 612 OG SER A 42 -4.720 -48.028 4.133 1.00 0.00 O ATOM 0 H SER A 42 -3.775 -46.617 5.883 1.00 0.00 H new ATOM 0 HA SER A 42 -2.518 -48.977 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.182 -46.957 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.071 -48.696 3.090 1.00 0.00 H new ATOM 0 HG SER A 42 -5.194 -48.506 3.421 1.00 0.00 H new ATOM 618 N THR A 43 -0.688 -46.456 4.347 1.00 0.00 N ATOM 619 CA THR A 43 0.656 -46.067 3.954 1.00 0.00 C ATOM 620 C THR A 43 1.416 -45.495 5.152 1.00 0.00 C ATOM 621 O THR A 43 2.260 -44.614 4.993 1.00 0.00 O ATOM 622 CB THR A 43 0.541 -45.089 2.784 1.00 0.00 C ATOM 623 OG1 THR A 43 0.156 -43.860 3.394 1.00 0.00 O ATOM 624 CG2 THR A 43 -0.625 -45.424 1.852 1.00 0.00 C ATOM 0 H THR A 43 -1.359 -45.689 4.391 1.00 0.00 H new ATOM 0 HA THR A 43 1.236 -46.927 3.621 1.00 0.00 H new ATOM 0 HB THR A 43 1.472 -45.093 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.772 -43.924 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.661 -44.699 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.486 -46.424 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.560 -45.388 2.411 1.00 0.00 H new ATOM 632 N GLY A 44 1.091 -46.019 6.325 1.00 0.00 N ATOM 633 CA GLY A 44 1.733 -45.572 7.549 1.00 0.00 C ATOM 634 C GLY A 44 1.364 -44.120 7.863 1.00 0.00 C ATOM 635 O GLY A 44 0.439 -43.863 8.632 1.00 0.00 O ATOM 0 H GLY A 44 0.391 -46.750 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.433 -46.214 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.815 -45.663 7.451 1.00 0.00 H new ATOM 639 N GLY A 45 2.106 -43.209 7.251 1.00 0.00 N ATOM 640 CA GLY A 45 1.869 -41.790 7.455 1.00 0.00 C ATOM 641 C GLY A 45 3.150 -40.983 7.237 1.00 0.00 C ATOM 642 O GLY A 45 3.629 -40.313 8.150 1.00 0.00 O ATOM 0 H GLY A 45 2.872 -43.426 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.096 -41.444 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.496 -41.622 8.465 1.00 0.00 H new ATOM 646 N ARG A 46 3.669 -41.074 6.021 1.00 0.00 N ATOM 647 CA ARG A 46 4.885 -40.361 5.671 1.00 0.00 C ATOM 648 C ARG A 46 4.565 -39.192 4.736 1.00 0.00 C ATOM 649 O ARG A 46 4.894 -38.046 5.035 1.00 0.00 O ATOM 650 CB ARG A 46 5.892 -41.289 4.989 1.00 0.00 C ATOM 651 CG ARG A 46 6.995 -41.711 5.961 1.00 0.00 C ATOM 652 CD ARG A 46 8.252 -42.151 5.207 1.00 0.00 C ATOM 653 NE ARG A 46 9.170 -42.861 6.126 1.00 0.00 N ATOM 654 CZ ARG A 46 9.879 -42.260 7.091 1.00 0.00 C ATOM 655 NH1 ARG A 46 9.780 -40.936 7.271 1.00 0.00 N ATOM 656 NH2 ARG A 46 10.688 -42.984 7.877 1.00 0.00 N ATOM 0 H ARG A 46 3.269 -41.631 5.266 1.00 0.00 H new ATOM 0 HA ARG A 46 5.324 -39.983 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.379 -42.173 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.333 -40.784 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.237 -40.881 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.639 -42.528 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.979 -42.803 4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.752 -41.282 4.779 1.00 0.00 H new ATOM 0 HE ARG A 46 9.269 -43.870 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.164 -40.385 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.320 -40.479 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.764 -43.992 7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.228 -42.527 8.612 1.00 0.00 H new ATOM 670 N SER A 47 3.927 -39.524 3.623 1.00 0.00 N ATOM 671 CA SER A 47 3.559 -38.517 2.643 1.00 0.00 C ATOM 672 C SER A 47 2.052 -38.567 2.382 1.00 0.00 C ATOM 673 O SER A 47 1.395 -39.556 2.703 1.00 0.00 O ATOM 674 CB SER A 47 4.330 -38.713 1.336 1.00 0.00 C ATOM 675 OG SER A 47 4.161 -37.612 0.447 1.00 0.00 O ATOM 0 H SER A 47 3.656 -40.476 3.379 1.00 0.00 H new ATOM 0 HA SER A 47 3.820 -37.538 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.390 -38.842 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.992 -39.628 0.849 1.00 0.00 H new ATOM 0 HG SER A 47 4.670 -37.774 -0.375 1.00 0.00 H new ATOM 681 N VAL A 48 1.548 -37.488 1.803 1.00 0.00 N ATOM 682 CA VAL A 48 0.131 -37.396 1.495 1.00 0.00 C ATOM 683 C VAL A 48 -0.127 -37.997 0.112 1.00 0.00 C ATOM 684 O VAL A 48 -1.240 -38.427 -0.184 1.00 0.00 O ATOM 685 CB VAL A 48 -0.337 -35.944 1.612 1.00 0.00 C ATOM 686 CG1 VAL A 48 -0.344 -35.486 3.072 1.00 0.00 C ATOM 687 CG2 VAL A 48 0.525 -35.019 0.751 1.00 0.00 C ATOM 0 H VAL A 48 2.096 -36.669 1.539 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.453 -37.971 2.213 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.360 -35.891 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.680 -34.451 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.019 -36.118 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.663 -35.562 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.171 -33.993 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.563 -35.079 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.456 -35.325 -0.293 1.00 0.00 H new ATOM 697 N GLN A 49 0.922 -38.008 -0.698 1.00 0.00 N ATOM 698 CA GLN A 49 0.823 -38.550 -2.042 1.00 0.00 C ATOM 699 C GLN A 49 0.452 -40.034 -1.991 1.00 0.00 C ATOM 700 O GLN A 49 -0.523 -40.455 -2.611 1.00 0.00 O ATOM 701 CB GLN A 49 2.126 -38.337 -2.816 1.00 0.00 C ATOM 702 CG GLN A 49 1.886 -38.416 -4.325 1.00 0.00 C ATOM 703 CD GLN A 49 2.245 -39.802 -4.865 1.00 0.00 C ATOM 704 OE1 GLN A 49 1.636 -40.805 -4.530 1.00 0.00 O ATOM 705 NE2 GLN A 49 3.266 -39.803 -5.718 1.00 0.00 N ATOM 0 H GLN A 49 1.844 -37.650 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 49 0.033 -38.016 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.550 -37.365 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.856 -39.090 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.841 -38.196 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.483 -37.658 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.732 -38.928 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.582 -40.679 -6.134 1.00 0.00 H new ATOM 714 N THR A 50 1.250 -40.785 -1.246 1.00 0.00 N ATOM 715 CA THR A 50 1.018 -42.212 -1.106 1.00 0.00 C ATOM 716 C THR A 50 -0.424 -42.478 -0.669 1.00 0.00 C ATOM 717 O THR A 50 -1.030 -43.465 -1.082 1.00 0.00 O ATOM 718 CB THR A 50 2.059 -42.767 -0.132 1.00 0.00 C ATOM 719 OG1 THR A 50 1.653 -44.117 0.078 1.00 0.00 O ATOM 720 CG2 THR A 50 1.963 -42.129 1.255 1.00 0.00 C ATOM 0 H THR A 50 2.058 -40.432 -0.733 1.00 0.00 H new ATOM 0 HA THR A 50 1.136 -42.727 -2.060 1.00 0.00 H new ATOM 0 HB THR A 50 3.058 -42.604 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.429 -44.655 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.724 -42.559 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.121 -41.054 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.976 -42.319 1.676 1.00 0.00 H new ATOM 728 N ALA A 51 -0.932 -41.578 0.160 1.00 0.00 N ATOM 729 CA ALA A 51 -2.292 -41.703 0.658 1.00 0.00 C ATOM 730 C ALA A 51 -3.272 -41.564 -0.509 1.00 0.00 C ATOM 731 O ALA A 51 -4.177 -42.382 -0.665 1.00 0.00 O ATOM 732 CB ALA A 51 -2.534 -40.659 1.750 1.00 0.00 C ATOM 0 H ALA A 51 -0.427 -40.759 0.499 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.448 -42.685 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.554 -40.753 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.832 -40.819 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.389 -39.661 1.337 1.00 0.00 H new ATOM 738 N CYS A 52 -3.058 -40.521 -1.299 1.00 0.00 N ATOM 739 CA CYS A 52 -3.911 -40.264 -2.446 1.00 0.00 C ATOM 740 C CYS A 52 -4.021 -41.555 -3.261 1.00 0.00 C ATOM 741 O CYS A 52 -5.119 -41.963 -3.639 1.00 0.00 O ATOM 742 CB CYS A 52 -3.389 -39.100 -3.290 1.00 0.00 C ATOM 743 SG CYS A 52 -4.328 -37.577 -2.903 1.00 0.00 S ATOM 0 H CYS A 52 -2.306 -39.845 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.902 -39.964 -2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.329 -38.944 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.484 -39.337 -4.350 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.876 -36.594 -3.623 1.00 0.00 H new ATOM 749 N ASP A 53 -2.869 -42.161 -3.509 1.00 0.00 N ATOM 750 CA ASP A 53 -2.823 -43.396 -4.272 1.00 0.00 C ATOM 751 C ASP A 53 -3.783 -44.412 -3.649 1.00 0.00 C ATOM 752 O ASP A 53 -4.659 -44.942 -4.331 1.00 0.00 O ATOM 753 CB ASP A 53 -1.418 -44.002 -4.255 1.00 0.00 C ATOM 754 CG ASP A 53 -1.129 -44.998 -5.379 1.00 0.00 C ATOM 755 OD1 ASP A 53 -2.011 -45.138 -6.254 1.00 0.00 O ATOM 756 OD2 ASP A 53 -0.033 -45.598 -5.338 1.00 0.00 O ATOM 0 H ASP A 53 -1.961 -41.819 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.105 -43.168 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.689 -43.193 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.266 -44.503 -3.299 1.00 0.00 H new ATOM 761 N TRP A 54 -3.585 -44.653 -2.361 1.00 0.00 N ATOM 762 CA TRP A 54 -4.422 -45.595 -1.639 1.00 0.00 C ATOM 763 C TRP A 54 -5.874 -45.129 -1.762 1.00 0.00 C ATOM 764 O TRP A 54 -6.763 -45.926 -2.057 1.00 0.00 O ATOM 765 CB TRP A 54 -3.961 -45.738 -0.188 1.00 0.00 C ATOM 766 CG TRP A 54 -4.763 -46.758 0.623 1.00 0.00 C ATOM 767 CD1 TRP A 54 -4.452 -48.036 0.881 1.00 0.00 C ATOM 768 CD2 TRP A 54 -6.031 -46.532 1.276 1.00 0.00 C ATOM 769 NE1 TRP A 54 -5.422 -48.647 1.649 1.00 0.00 N ATOM 770 CE2 TRP A 54 -6.413 -47.704 1.896 1.00 0.00 C ATOM 771 CE3 TRP A 54 -6.828 -45.376 1.339 1.00 0.00 C ATOM 772 CZ2 TRP A 54 -7.601 -47.833 2.625 1.00 0.00 C ATOM 773 CZ3 TRP A 54 -8.012 -45.521 2.071 1.00 0.00 C ATOM 774 CH2 TRP A 54 -8.411 -46.694 2.702 1.00 0.00 C ATOM 0 H TRP A 54 -2.857 -44.212 -1.799 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.339 -46.593 -2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.910 -46.027 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.029 -44.766 0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.555 -48.526 0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.413 -49.613 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.549 -44.449 0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.878 -48.761 3.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.661 -44.662 2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.342 -46.726 3.249 1.00 0.00 H new ATOM 785 N LEU A 55 -6.069 -43.839 -1.529 1.00 0.00 N ATOM 786 CA LEU A 55 -7.398 -43.257 -1.609 1.00 0.00 C ATOM 787 C LEU A 55 -8.089 -43.747 -2.884 1.00 0.00 C ATOM 788 O LEU A 55 -9.116 -44.420 -2.817 1.00 0.00 O ATOM 789 CB LEU A 55 -7.323 -41.733 -1.498 1.00 0.00 C ATOM 790 CG LEU A 55 -7.456 -41.156 -0.087 1.00 0.00 C ATOM 791 CD1 LEU A 55 -6.816 -39.769 0.001 1.00 0.00 C ATOM 792 CD2 LEU A 55 -8.918 -41.142 0.364 1.00 0.00 C ATOM 0 H LEU A 55 -5.329 -43.181 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.009 -43.586 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.371 -41.405 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.109 -41.304 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.913 -41.805 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.925 -39.382 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.757 -39.840 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.310 -39.095 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.985 -40.727 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.504 -40.529 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.308 -42.160 0.365 1.00 0.00 H new ATOM 804 N PHE A 56 -7.497 -43.390 -4.014 1.00 0.00 N ATOM 805 CA PHE A 56 -8.042 -43.785 -5.301 1.00 0.00 C ATOM 806 C PHE A 56 -8.149 -45.308 -5.408 1.00 0.00 C ATOM 807 O PHE A 56 -9.216 -45.839 -5.711 1.00 0.00 O ATOM 808 CB PHE A 56 -7.074 -43.278 -6.372 1.00 0.00 C ATOM 809 CG PHE A 56 -6.710 -41.799 -6.232 1.00 0.00 C ATOM 810 CD1 PHE A 56 -7.684 -40.878 -6.001 1.00 0.00 C ATOM 811 CD2 PHE A 56 -5.413 -41.404 -6.338 1.00 0.00 C ATOM 812 CE1 PHE A 56 -7.347 -39.505 -5.871 1.00 0.00 C ATOM 813 CE2 PHE A 56 -5.076 -40.031 -6.208 1.00 0.00 C ATOM 814 CZ PHE A 56 -6.050 -39.110 -5.977 1.00 0.00 C ATOM 0 H PHE A 56 -6.645 -42.831 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.041 -43.368 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.161 -43.872 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.517 -43.441 -7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.714 -41.191 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.639 -42.135 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.121 -38.774 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.046 -39.718 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.793 -38.066 -5.878 1.00 0.00 H new