USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 358 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 30 CYS SG : rot -172:sc= 0.0133 USER MOD Set 1.2: A 33 CYS SG : rot 175:sc= 1.25 USER MOD Set 1.3: A 63 CYS SG : rot 60:sc= -0.627 USER MOD Set 1.4: A 66 CYS SG : rot -47:sc= 0.759 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0308) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0237 F(o=-1.4!,f=-0.024) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 52 THR OG1 : rot 55:sc= 1.19 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 2.42 (180deg=2.38) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -142:sc= -0.115 (180deg=-0.449) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 67.002 -7.396 -7.923 1.00 42.41 N ATOM 351 CA TYR A 25 66.217 -8.546 -8.343 1.00 12.14 C ATOM 352 C TYR A 25 65.884 -8.424 -9.820 1.00 32.30 C ATOM 353 O TYR A 25 65.853 -7.319 -10.364 1.00 32.03 O ATOM 354 CB TYR A 25 64.927 -8.662 -7.528 1.00 42.40 C ATOM 355 CG TYR A 25 65.149 -9.003 -6.074 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.546 -10.278 -5.692 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.948 -8.053 -5.084 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.731 -10.597 -4.359 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.135 -8.360 -3.751 1.00 35.34 C ATOM 360 CZ TYR A 25 65.527 -9.632 -3.393 1.00 72.10 C ATOM 361 OH TYR A 25 65.698 -9.943 -2.064 1.00 54.31 O ATOM 0 HA TYR A 25 66.808 -9.446 -8.172 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.383 -7.719 -7.591 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.293 -9.426 -7.977 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.713 -11.032 -6.447 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.640 -7.056 -5.361 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.033 -11.594 -4.076 1.00 74.12 H new ATOM 0 HE2 TYR A 25 64.975 -7.608 -2.993 1.00 35.34 H new ATOM 0 HH TYR A 25 65.516 -9.151 -1.517 1.00 54.31 H new ATOM 371 N LYS A 26 65.654 -9.546 -10.473 1.00 31.42 N ATOM 372 CA LYS A 26 65.303 -9.534 -11.879 1.00 10.43 C ATOM 373 C LYS A 26 63.810 -9.789 -12.065 1.00 64.22 C ATOM 374 O LYS A 26 63.136 -10.342 -11.180 1.00 33.23 O ATOM 375 CB LYS A 26 66.120 -10.567 -12.668 1.00 44.31 C ATOM 376 CG LYS A 26 67.623 -10.302 -12.695 1.00 40.14 C ATOM 377 CD LYS A 26 68.308 -10.750 -11.411 1.00 14.02 C ATOM 378 CE LYS A 26 69.812 -10.520 -11.458 1.00 14.41 C ATOM 379 NZ LYS A 26 70.163 -9.074 -11.479 1.00 2.34 N ATOM 0 H LYS A 26 65.704 -10.475 -10.054 1.00 31.42 H new ATOM 0 HA LYS A 26 65.541 -8.544 -12.269 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.946 -11.553 -12.238 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.751 -10.596 -13.693 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.067 -10.823 -13.543 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.800 -9.237 -12.847 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.884 -10.208 -10.566 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.108 -11.808 -11.243 1.00 14.02 H new ATOM 0 HE2 LYS A 26 70.276 -10.992 -10.592 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.224 -11.004 -12.344 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.195 -8.966 -11.408 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.831 -8.649 -12.368 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.709 -8.595 -10.675 1.00 2.34 H new ATOM 393 N LEU A 27 63.297 -9.363 -13.207 1.00 10.35 N ATOM 394 CA LEU A 27 61.900 -9.562 -13.548 1.00 63.42 C ATOM 395 C LEU A 27 61.810 -10.485 -14.752 1.00 12.52 C ATOM 396 O LEU A 27 62.187 -10.110 -15.858 1.00 23.11 O ATOM 397 CB LEU A 27 61.229 -8.220 -13.873 1.00 14.35 C ATOM 398 CG LEU A 27 61.513 -7.080 -12.889 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.804 -5.810 -13.331 1.00 23.04 C ATOM 400 CD2 LEU A 27 61.096 -7.463 -11.478 1.00 64.32 C ATOM 0 H LEU A 27 63.835 -8.872 -13.921 1.00 10.35 H new ATOM 0 HA LEU A 27 61.385 -10.009 -12.698 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.549 -7.906 -14.867 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.151 -8.375 -13.919 1.00 14.35 H new ATOM 0 HG LEU A 27 62.587 -6.894 -12.883 1.00 74.43 H new ATOM 0 HD11 LEU A 27 61.016 -5.010 -12.622 1.00 23.04 H new ATOM 0 HD12 LEU A 27 61.158 -5.521 -14.321 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.729 -5.987 -13.368 1.00 23.04 H new ATOM 0 HD21 LEU A 27 61.308 -6.637 -10.799 1.00 64.32 H new ATOM 0 HD22 LEU A 27 60.028 -7.682 -11.461 1.00 64.32 H new ATOM 0 HD23 LEU A 27 61.652 -8.345 -11.161 1.00 64.32 H new ATOM 412 N PHE A 28 61.340 -11.697 -14.543 1.00 1.00 N ATOM 413 CA PHE A 28 61.263 -12.662 -15.624 1.00 50.25 C ATOM 414 C PHE A 28 59.863 -12.698 -16.206 1.00 32.34 C ATOM 415 O PHE A 28 58.909 -13.110 -15.549 1.00 14.13 O ATOM 416 CB PHE A 28 61.702 -14.047 -15.145 1.00 13.43 C ATOM 417 CG PHE A 28 63.177 -14.130 -14.885 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.706 -13.747 -13.662 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.038 -14.579 -15.872 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.066 -13.815 -13.429 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.399 -14.648 -15.645 1.00 45.12 C ATOM 422 CZ PHE A 28 65.915 -14.265 -14.423 1.00 30.44 C ATOM 0 H PHE A 28 61.007 -12.038 -13.641 1.00 1.00 H new ATOM 0 HA PHE A 28 61.947 -12.352 -16.415 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.162 -14.299 -14.232 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.427 -14.790 -15.894 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.048 -13.392 -12.883 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.641 -14.879 -16.831 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.466 -13.517 -12.471 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.059 -15.001 -16.423 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.979 -14.317 -14.244 1.00 30.44 H new ATOM 432 N ARG A 29 59.753 -12.252 -17.441 1.00 72.21 N ATOM 433 CA ARG A 29 58.470 -12.149 -18.105 1.00 15.21 C ATOM 434 C ARG A 29 58.316 -13.261 -19.134 1.00 74.30 C ATOM 435 O ARG A 29 59.196 -13.482 -19.959 1.00 12.12 O ATOM 436 CB ARG A 29 58.339 -10.765 -18.749 1.00 53.45 C ATOM 437 CG ARG A 29 57.093 -10.573 -19.593 1.00 41.44 C ATOM 438 CD ARG A 29 56.916 -9.110 -19.976 1.00 1.41 C ATOM 439 NE ARG A 29 58.093 -8.567 -20.650 1.00 42.11 N ATOM 440 CZ ARG A 29 58.574 -7.336 -20.458 1.00 34.34 C ATOM 441 NH1 ARG A 29 58.025 -6.520 -19.566 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.633 -6.939 -21.142 1.00 21.35 N ATOM 0 H ARG A 29 60.545 -11.953 -18.009 1.00 72.21 H new ATOM 0 HA ARG A 29 57.669 -12.266 -17.375 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.348 -10.011 -17.962 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.215 -10.585 -19.373 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.161 -11.183 -20.494 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.218 -10.917 -19.041 1.00 41.44 H new ATOM 0 HD2 ARG A 29 56.048 -9.010 -20.628 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.711 -8.524 -19.080 1.00 1.41 H new ATOM 0 HE ARG A 29 58.581 -9.170 -21.313 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.224 -6.830 -19.016 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.404 -5.583 -19.431 1.00 14.43 H new ATOM 0 HH21 ARG A 29 60.075 -7.571 -21.809 1.00 21.35 H new ATOM 0 HH22 ARG A 29 60.008 -6.001 -21.002 1.00 21.35 H new ATOM 456 N CYS A 30 57.210 -13.981 -19.051 1.00 53.14 N ATOM 457 CA CYS A 30 56.943 -15.082 -19.962 1.00 13.35 C ATOM 458 C CYS A 30 56.624 -14.549 -21.353 1.00 23.11 C ATOM 459 O CYS A 30 55.747 -13.708 -21.511 1.00 13.32 O ATOM 460 CB CYS A 30 55.775 -15.927 -19.446 1.00 24.13 C ATOM 461 SG CYS A 30 55.528 -17.476 -20.344 1.00 1.33 S ATOM 0 H CYS A 30 56.479 -13.822 -18.358 1.00 53.14 H new ATOM 0 HA CYS A 30 57.833 -15.709 -20.019 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.942 -16.153 -18.393 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.861 -15.337 -19.504 1.00 24.13 H new ATOM 0 HG CYS A 30 54.421 -18.034 -19.951 1.00 1.33 H new ATOM 466 N ILE A 31 57.317 -15.053 -22.361 1.00 13.20 N ATOM 467 CA ILE A 31 57.142 -14.564 -23.726 1.00 62.43 C ATOM 468 C ILE A 31 55.935 -15.225 -24.381 1.00 64.12 C ATOM 469 O ILE A 31 55.526 -14.858 -25.483 1.00 21.10 O ATOM 470 CB ILE A 31 58.394 -14.820 -24.593 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.634 -16.322 -24.762 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.614 -14.148 -23.975 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.796 -16.661 -25.675 1.00 74.30 C ATOM 0 H ILE A 31 58.006 -15.799 -22.264 1.00 13.20 H new ATOM 0 HA ILE A 31 56.982 -13.488 -23.661 1.00 62.43 H new ATOM 0 HB ILE A 31 58.225 -14.388 -25.580 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.814 -16.763 -23.782 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.728 -16.782 -25.157 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.488 -14.338 -24.598 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.443 -13.074 -23.908 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.785 -14.551 -22.977 1.00 12.21 H new ATOM 0 HD11 ILE A 31 59.901 -17.744 -25.743 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.610 -16.251 -26.668 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.713 -16.232 -25.271 1.00 74.30 H new ATOM 485 N GLN A 32 55.369 -16.208 -23.693 1.00 51.33 N ATOM 486 CA GLN A 32 54.219 -16.941 -24.204 1.00 23.44 C ATOM 487 C GLN A 32 52.919 -16.206 -23.900 1.00 13.04 C ATOM 488 O GLN A 32 51.889 -16.479 -24.513 1.00 35.13 O ATOM 489 CB GLN A 32 54.161 -18.339 -23.588 1.00 55.24 C ATOM 490 CG GLN A 32 55.359 -19.218 -23.914 1.00 33.15 C ATOM 491 CD GLN A 32 55.435 -19.597 -25.379 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.177 -18.824 -26.146 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 54.856 -20.593 -25.807 1.00 22.30 N flip ATOM 0 H GLN A 32 55.690 -16.517 -22.775 1.00 51.33 H new ATOM 0 HA GLN A 32 54.334 -17.022 -25.285 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.080 -18.243 -22.505 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.255 -18.838 -23.933 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.273 -18.696 -23.632 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.311 -20.125 -23.312 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.291 -21.164 -25.178 1.00 22.30 H new ATOM 0 HE22 GLN A 32 54.940 -20.848 -26.791 1.00 22.30 H new ATOM 502 N CYS A 33 52.964 -15.274 -22.954 1.00 2.20 N ATOM 503 CA CYS A 33 51.746 -14.583 -22.527 1.00 22.24 C ATOM 504 C CYS A 33 52.024 -13.186 -21.978 1.00 72.42 C ATOM 505 O CYS A 33 51.210 -12.276 -22.130 1.00 22.31 O ATOM 506 CB CYS A 33 51.020 -15.419 -21.475 1.00 41.11 C ATOM 507 SG CYS A 33 52.065 -15.970 -20.106 1.00 25.30 S ATOM 0 H CYS A 33 53.814 -14.981 -22.473 1.00 2.20 H new ATOM 0 HA CYS A 33 51.118 -14.461 -23.409 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.193 -14.835 -21.072 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.586 -16.294 -21.960 1.00 41.11 H new ATOM 0 HG CYS A 33 51.334 -16.577 -19.219 1.00 25.30 H new ATOM 512 N GLY A 34 53.163 -13.014 -21.328 1.00 75.22 N ATOM 513 CA GLY A 34 53.497 -11.720 -20.770 1.00 61.15 C ATOM 514 C GLY A 34 53.463 -11.722 -19.258 1.00 41.20 C ATOM 515 O GLY A 34 53.591 -10.671 -18.630 1.00 65.41 O ATOM 0 H GLY A 34 53.860 -13.743 -21.177 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.490 -11.426 -21.109 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.798 -10.973 -21.146 1.00 61.15 H new ATOM 519 N PHE A 35 53.276 -12.904 -18.678 1.00 44.34 N ATOM 520 CA PHE A 35 53.287 -13.066 -17.228 1.00 63.14 C ATOM 521 C PHE A 35 54.629 -12.621 -16.658 1.00 62.11 C ATOM 522 O PHE A 35 55.661 -13.227 -16.944 1.00 22.11 O ATOM 523 CB PHE A 35 53.018 -14.530 -16.858 1.00 51.10 C ATOM 524 CG PHE A 35 53.013 -14.801 -15.377 1.00 71.33 C ATOM 525 CD1 PHE A 35 51.861 -14.611 -14.629 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.155 -15.258 -14.735 1.00 75.13 C ATOM 527 CE1 PHE A 35 51.851 -14.869 -13.270 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.150 -15.516 -13.377 1.00 63.43 C ATOM 529 CZ PHE A 35 52.995 -15.322 -12.644 1.00 22.21 C ATOM 0 H PHE A 35 53.114 -13.769 -19.194 1.00 44.34 H new ATOM 0 HA PHE A 35 52.500 -12.444 -16.801 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.055 -14.827 -17.274 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.775 -15.157 -17.328 1.00 51.10 H new ATOM 0 HD1 PHE A 35 50.962 -14.258 -15.112 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.060 -15.414 -15.304 1.00 75.13 H new ATOM 0 HE1 PHE A 35 50.948 -14.716 -12.698 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.047 -15.869 -12.890 1.00 63.43 H new ATOM 0 HZ PHE A 35 52.987 -15.524 -11.583 1.00 22.21 H new ATOM 539 N GLU A 36 54.609 -11.560 -15.870 1.00 21.30 N ATOM 540 CA GLU A 36 55.824 -10.998 -15.314 1.00 35.33 C ATOM 541 C GLU A 36 56.045 -11.466 -13.882 1.00 44.03 C ATOM 542 O GLU A 36 55.252 -11.171 -12.987 1.00 52.25 O ATOM 543 CB GLU A 36 55.758 -9.475 -15.381 1.00 30.54 C ATOM 544 CG GLU A 36 55.850 -8.951 -16.801 1.00 13.22 C ATOM 545 CD GLU A 36 55.576 -7.469 -16.919 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.441 -7.039 -16.625 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.485 -6.730 -17.341 1.00 54.43 O ATOM 0 H GLU A 36 53.757 -11.068 -15.600 1.00 21.30 H new ATOM 0 HA GLU A 36 56.671 -11.347 -15.904 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.825 -9.135 -14.932 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.570 -9.053 -14.788 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.846 -9.160 -17.193 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.141 -9.494 -17.426 1.00 13.22 H new ATOM 554 N TYR A 37 57.119 -12.214 -13.685 1.00 71.04 N ATOM 555 CA TYR A 37 57.496 -12.692 -12.366 1.00 2.31 C ATOM 556 C TYR A 37 58.637 -11.856 -11.799 1.00 2.10 C ATOM 557 O TYR A 37 59.758 -11.883 -12.312 1.00 33.24 O ATOM 558 CB TYR A 37 57.906 -14.171 -12.423 1.00 64.22 C ATOM 559 CG TYR A 37 58.638 -14.649 -11.184 1.00 22.51 C ATOM 560 CD1 TYR A 37 57.957 -14.920 -10.006 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.019 -14.806 -11.194 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.633 -15.342 -8.875 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.701 -15.224 -10.069 1.00 42.11 C ATOM 564 CZ TYR A 37 60.005 -15.488 -8.912 1.00 3.33 C ATOM 565 OH TYR A 37 60.682 -15.901 -7.786 1.00 35.44 O ATOM 0 H TYR A 37 57.750 -12.505 -14.431 1.00 71.04 H new ATOM 0 HA TYR A 37 56.631 -12.594 -11.710 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.014 -14.781 -12.565 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.542 -14.329 -13.294 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.884 -14.800 -9.971 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.569 -14.597 -12.100 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.089 -15.556 -7.967 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.774 -15.343 -10.097 1.00 42.11 H new ATOM 0 HH TYR A 37 61.641 -15.954 -7.982 1.00 35.44 H new ATOM 575 N ASP A 38 58.341 -11.105 -10.758 1.00 70.50 N ATOM 576 CA ASP A 38 59.359 -10.353 -10.041 1.00 10.30 C ATOM 577 C ASP A 38 60.005 -11.254 -9.002 1.00 4.53 C ATOM 578 O ASP A 38 59.300 -11.840 -8.180 1.00 73.13 O ATOM 579 CB ASP A 38 58.740 -9.142 -9.324 1.00 64.12 C ATOM 580 CG ASP A 38 57.731 -8.386 -10.167 1.00 45.13 C ATOM 581 OD1 ASP A 38 56.608 -8.902 -10.358 1.00 51.42 O ATOM 582 OD2 ASP A 38 58.041 -7.267 -10.614 1.00 30.54 O ATOM 0 H ASP A 38 57.398 -10.997 -10.385 1.00 70.50 H new ATOM 0 HA ASP A 38 60.099 -10.001 -10.759 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.254 -9.482 -8.409 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.537 -8.460 -9.028 1.00 64.12 H new ATOM 587 N GLU A 39 61.331 -11.385 -9.029 1.00 21.24 N ATOM 588 CA GLU A 39 62.021 -12.159 -7.993 1.00 73.35 C ATOM 589 C GLU A 39 61.696 -11.603 -6.606 1.00 61.05 C ATOM 590 O GLU A 39 61.577 -12.347 -5.633 1.00 14.23 O ATOM 591 CB GLU A 39 63.538 -12.153 -8.200 1.00 3.15 C ATOM 592 CG GLU A 39 64.016 -12.993 -9.372 1.00 2.32 C ATOM 593 CD GLU A 39 65.530 -13.059 -9.444 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.161 -11.988 -9.545 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.087 -14.177 -9.394 1.00 61.24 O ATOM 0 H GLU A 39 61.939 -10.976 -9.739 1.00 21.24 H new ATOM 0 HA GLU A 39 61.668 -13.187 -8.068 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.868 -11.125 -8.348 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.018 -12.514 -7.290 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.613 -14.002 -9.283 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.627 -12.575 -10.300 1.00 2.32 H new ATOM 602 N ALA A 40 61.528 -10.287 -6.541 1.00 41.21 N ATOM 603 CA ALA A 40 61.234 -9.595 -5.291 1.00 41.44 C ATOM 604 C ALA A 40 59.807 -9.864 -4.815 1.00 73.14 C ATOM 605 O ALA A 40 59.501 -9.706 -3.632 1.00 63.31 O ATOM 606 CB ALA A 40 61.458 -8.101 -5.469 1.00 64.54 C ATOM 0 H ALA A 40 61.592 -9.671 -7.351 1.00 41.21 H new ATOM 0 HA ALA A 40 61.909 -9.978 -4.526 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.238 -7.586 -4.534 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.496 -7.919 -5.747 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.801 -7.725 -6.253 1.00 64.54 H new ATOM 612 N LEU A 41 58.943 -10.273 -5.735 1.00 35.01 N ATOM 613 CA LEU A 41 57.540 -10.507 -5.417 1.00 43.03 C ATOM 614 C LEU A 41 57.306 -11.975 -5.085 1.00 41.24 C ATOM 615 O LEU A 41 56.622 -12.301 -4.114 1.00 5.12 O ATOM 616 CB LEU A 41 56.649 -10.085 -6.588 1.00 54.42 C ATOM 617 CG LEU A 41 55.146 -10.211 -6.340 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.698 -9.245 -5.252 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.372 -9.971 -7.627 1.00 50.10 C ATOM 0 H LEU A 41 59.189 -10.450 -6.709 1.00 35.01 H new ATOM 0 HA LEU A 41 57.281 -9.906 -4.545 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.874 -9.049 -6.840 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.909 -10.688 -7.458 1.00 54.42 H new ATOM 0 HG LEU A 41 54.937 -11.225 -5.999 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.625 -9.351 -5.091 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.228 -9.469 -4.326 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.920 -8.223 -5.559 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.304 -10.065 -7.432 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.586 -8.969 -7.999 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.670 -10.707 -8.374 1.00 50.10 H new ATOM 631 N GLY A 42 57.885 -12.853 -5.895 1.00 60.35 N ATOM 632 CA GLY A 42 57.732 -14.279 -5.678 1.00 65.42 C ATOM 633 C GLY A 42 56.402 -14.800 -6.188 1.00 1.31 C ATOM 634 O GLY A 42 55.733 -14.138 -6.982 1.00 22.32 O ATOM 0 H GLY A 42 58.459 -12.602 -6.700 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.543 -14.809 -6.177 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.819 -14.494 -4.613 1.00 65.42 H new ATOM 638 N TRP A 43 56.023 -15.984 -5.734 1.00 34.01 N ATOM 639 CA TRP A 43 54.756 -16.590 -6.116 1.00 72.13 C ATOM 640 C TRP A 43 54.360 -17.633 -5.073 1.00 1.53 C ATOM 641 O TRP A 43 54.661 -18.823 -5.210 1.00 0.54 O ATOM 642 CB TRP A 43 54.855 -17.219 -7.511 1.00 22.21 C ATOM 643 CG TRP A 43 53.523 -17.621 -8.079 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.066 -18.890 -8.278 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.470 -16.746 -8.514 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.799 -18.862 -8.812 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.411 -17.558 -8.965 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.324 -15.356 -8.568 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.223 -17.024 -9.461 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.141 -14.829 -9.059 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.106 -15.662 -9.501 1.00 72.01 C ATOM 0 H TRP A 43 56.581 -16.550 -5.094 1.00 34.01 H new ATOM 0 HA TRP A 43 53.986 -15.819 -6.157 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.332 -16.510 -8.188 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.500 -18.096 -7.461 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.620 -19.789 -8.049 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.239 -19.680 -9.055 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.119 -14.706 -8.233 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.422 -17.664 -9.802 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.015 -13.757 -9.102 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.197 -15.220 -9.881 1.00 72.01 H new ATOM 662 N PRO A 44 53.687 -17.188 -4.002 1.00 45.41 N ATOM 663 CA PRO A 44 53.367 -18.037 -2.847 1.00 41.22 C ATOM 664 C PRO A 44 52.435 -19.183 -3.210 1.00 43.31 C ATOM 665 O PRO A 44 52.422 -20.219 -2.548 1.00 52.04 O ATOM 666 CB PRO A 44 52.672 -17.091 -1.863 1.00 1.41 C ATOM 667 CG PRO A 44 52.948 -15.711 -2.356 1.00 43.31 C ATOM 668 CD PRO A 44 53.178 -15.818 -3.834 1.00 12.02 C ATOM 0 HA PRO A 44 54.265 -18.505 -2.442 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.600 -17.285 -1.826 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.056 -17.228 -0.852 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.109 -15.049 -2.142 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.821 -15.290 -1.858 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.258 -15.660 -4.396 1.00 12.02 H new ATOM 0 HD3 PRO A 44 53.897 -15.077 -4.183 1.00 12.02 H new ATOM 676 N GLU A 45 51.662 -18.984 -4.268 1.00 52.10 N ATOM 677 CA GLU A 45 50.711 -19.988 -4.731 1.00 33.11 C ATOM 678 C GLU A 45 51.405 -21.297 -5.098 1.00 32.45 C ATOM 679 O GLU A 45 50.887 -22.380 -4.834 1.00 53.21 O ATOM 680 CB GLU A 45 49.929 -19.453 -5.929 1.00 63.41 C ATOM 681 CG GLU A 45 49.075 -18.246 -5.591 1.00 44.43 C ATOM 682 CD GLU A 45 48.094 -18.540 -4.477 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.024 -19.115 -4.764 1.00 61.31 O ATOM 684 OE2 GLU A 45 48.399 -18.223 -3.311 1.00 63.33 O ATOM 0 H GLU A 45 51.674 -18.130 -4.826 1.00 52.10 H new ATOM 0 HA GLU A 45 50.023 -20.198 -3.912 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.628 -19.186 -6.721 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.290 -20.244 -6.321 1.00 63.41 H new ATOM 0 HG2 GLU A 45 49.719 -17.417 -5.298 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.530 -17.927 -6.479 1.00 44.43 H new ATOM 691 N ASP A 46 52.577 -21.193 -5.703 1.00 54.25 N ATOM 692 CA ASP A 46 53.336 -22.379 -6.080 1.00 30.40 C ATOM 693 C ASP A 46 54.316 -22.756 -4.978 1.00 61.32 C ATOM 694 O ASP A 46 54.730 -23.907 -4.860 1.00 73.23 O ATOM 695 CB ASP A 46 54.081 -22.144 -7.397 1.00 23.20 C ATOM 696 CG ASP A 46 54.856 -23.367 -7.848 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.222 -24.395 -8.161 1.00 44.22 O ATOM 698 OD2 ASP A 46 56.098 -23.303 -7.903 1.00 44.11 O ATOM 0 H ASP A 46 53.023 -20.308 -5.943 1.00 54.25 H new ATOM 0 HA ASP A 46 52.637 -23.204 -6.220 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.366 -21.864 -8.171 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.767 -21.305 -7.279 1.00 23.20 H new ATOM 703 N GLY A 47 54.656 -21.783 -4.146 1.00 73.12 N ATOM 704 CA GLY A 47 55.585 -22.030 -3.062 1.00 12.11 C ATOM 705 C GLY A 47 56.870 -21.247 -3.220 1.00 64.11 C ATOM 706 O GLY A 47 57.853 -21.498 -2.522 1.00 22.42 O ATOM 0 H GLY A 47 54.305 -20.827 -4.202 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.114 -21.765 -2.115 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.814 -23.095 -3.017 1.00 12.11 H new ATOM 710 N ILE A 48 56.865 -20.300 -4.146 1.00 0.01 N ATOM 711 CA ILE A 48 58.024 -19.455 -4.380 1.00 25.24 C ATOM 712 C ILE A 48 57.963 -18.236 -3.468 1.00 62.01 C ATOM 713 O ILE A 48 57.081 -17.391 -3.613 1.00 62.43 O ATOM 714 CB ILE A 48 58.100 -18.989 -5.850 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.021 -20.186 -6.806 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.377 -18.195 -6.087 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.147 -21.178 -6.638 1.00 43.03 C ATOM 0 H ILE A 48 56.068 -20.098 -4.749 1.00 0.01 H new ATOM 0 HA ILE A 48 58.915 -20.043 -4.162 1.00 25.24 H new ATOM 0 HB ILE A 48 57.247 -18.341 -6.050 1.00 14.52 H new ATOM 0 HG12 ILE A 48 57.072 -20.699 -6.652 1.00 71.30 H new ATOM 0 HG13 ILE A 48 58.023 -19.819 -7.833 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.417 -17.873 -7.128 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.388 -17.321 -5.436 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.241 -18.822 -5.868 1.00 22.34 H new ATOM 0 HD11 ILE A 48 59.021 -21.995 -7.348 1.00 43.03 H new ATOM 0 HD12 ILE A 48 60.100 -20.681 -6.821 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.134 -21.575 -5.623 1.00 43.03 H new ATOM 729 N ALA A 49 58.892 -18.153 -2.531 1.00 31.20 N ATOM 730 CA ALA A 49 58.895 -17.074 -1.555 1.00 5.11 C ATOM 731 C ALA A 49 59.384 -15.768 -2.172 1.00 32.55 C ATOM 732 O ALA A 49 60.209 -15.772 -3.094 1.00 44.13 O ATOM 733 CB ALA A 49 59.757 -17.447 -0.359 1.00 50.42 C ATOM 0 H ALA A 49 59.656 -18.821 -2.424 1.00 31.20 H new ATOM 0 HA ALA A 49 57.869 -16.923 -1.220 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.750 -16.631 0.363 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.360 -18.348 0.108 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.779 -17.630 -0.690 1.00 50.42 H new ATOM 739 N ALA A 50 58.868 -14.659 -1.668 1.00 43.33 N ATOM 740 CA ALA A 50 59.296 -13.340 -2.115 1.00 31.42 C ATOM 741 C ALA A 50 60.788 -13.152 -1.857 1.00 65.35 C ATOM 742 O ALA A 50 61.222 -13.078 -0.706 1.00 33.24 O ATOM 743 CB ALA A 50 58.494 -12.254 -1.410 1.00 12.13 C ATOM 0 H ALA A 50 58.148 -14.645 -0.945 1.00 43.33 H new ATOM 0 HA ALA A 50 59.116 -13.261 -3.187 1.00 31.42 H new ATOM 0 HB1 ALA A 50 58.826 -11.275 -1.755 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.435 -12.379 -1.636 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.646 -12.330 -0.333 1.00 12.13 H new ATOM 749 N GLY A 51 61.571 -13.085 -2.925 1.00 23.11 N ATOM 750 CA GLY A 51 63.007 -12.980 -2.782 1.00 51.21 C ATOM 751 C GLY A 51 63.723 -14.261 -3.170 1.00 12.22 C ATOM 752 O GLY A 51 64.935 -14.381 -2.977 1.00 44.15 O ATOM 0 H GLY A 51 61.236 -13.102 -3.888 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.372 -12.161 -3.402 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.249 -12.730 -1.749 1.00 51.21 H new ATOM 756 N THR A 52 62.978 -15.229 -3.698 1.00 34.23 N ATOM 757 CA THR A 52 63.588 -16.451 -4.206 1.00 72.11 C ATOM 758 C THR A 52 64.258 -16.186 -5.549 1.00 32.45 C ATOM 759 O THR A 52 63.628 -15.684 -6.481 1.00 11.25 O ATOM 760 CB THR A 52 62.561 -17.591 -4.362 1.00 4.53 C ATOM 761 OG1 THR A 52 61.872 -17.798 -3.123 1.00 61.21 O ATOM 762 CG2 THR A 52 63.239 -18.889 -4.786 1.00 63.31 C ATOM 0 H THR A 52 61.962 -15.191 -3.784 1.00 34.23 H new ATOM 0 HA THR A 52 64.332 -16.766 -3.475 1.00 72.11 H new ATOM 0 HB THR A 52 61.851 -17.302 -5.137 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.470 -16.955 -2.827 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.490 -19.674 -4.888 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.742 -18.741 -5.742 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.970 -19.181 -4.032 1.00 63.31 H new ATOM 770 N ARG A 53 65.538 -16.515 -5.628 1.00 11.11 N ATOM 771 CA ARG A 53 66.319 -16.301 -6.834 1.00 1.42 C ATOM 772 C ARG A 53 65.958 -17.312 -7.913 1.00 24.11 C ATOM 773 O ARG A 53 65.666 -18.472 -7.622 1.00 33.21 O ATOM 774 CB ARG A 53 67.808 -16.390 -6.511 1.00 42.33 C ATOM 775 CG ARG A 53 68.374 -15.127 -5.880 1.00 70.11 C ATOM 776 CD ARG A 53 68.569 -14.036 -6.920 1.00 62.02 C ATOM 777 NE ARG A 53 69.386 -14.511 -8.037 1.00 73.44 N ATOM 778 CZ ARG A 53 70.276 -13.777 -8.695 1.00 34.42 C ATOM 779 NH1 ARG A 53 70.495 -12.512 -8.357 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.957 -14.326 -9.697 1.00 20.33 N ATOM 0 H ARG A 53 66.062 -16.936 -4.861 1.00 11.11 H new ATOM 0 HA ARG A 53 66.089 -15.306 -7.215 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.975 -17.229 -5.835 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.357 -16.605 -7.428 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.700 -14.773 -5.099 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.327 -15.352 -5.401 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.599 -13.705 -7.290 1.00 62.02 H new ATOM 0 HD3 ARG A 53 69.046 -13.171 -6.459 1.00 62.02 H new ATOM 0 HE ARG A 53 69.263 -15.479 -8.333 1.00 73.44 H new ATOM 0 HH11 ARG A 53 69.977 -12.094 -7.584 1.00 5.03 H new ATOM 0 HH12 ARG A 53 71.181 -11.959 -8.870 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.793 -15.300 -9.952 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.643 -13.773 -10.210 1.00 20.33 H new ATOM 794 N TRP A 54 65.996 -16.853 -9.158 1.00 75.02 N ATOM 795 CA TRP A 54 65.708 -17.685 -10.324 1.00 4.51 C ATOM 796 C TRP A 54 66.632 -18.905 -10.373 1.00 51.50 C ATOM 797 O TRP A 54 66.288 -19.940 -10.943 1.00 53.22 O ATOM 798 CB TRP A 54 65.878 -16.837 -11.586 1.00 14.02 C ATOM 799 CG TRP A 54 65.255 -17.418 -12.817 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.902 -17.995 -13.867 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.858 -17.459 -13.132 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.995 -18.386 -14.821 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.731 -18.073 -14.391 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.703 -17.040 -12.469 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.495 -18.269 -15.001 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.478 -17.237 -13.075 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.381 -17.849 -14.328 1.00 44.10 C ATOM 0 H TRP A 54 66.229 -15.887 -9.390 1.00 75.02 H new ATOM 0 HA TRP A 54 64.684 -18.052 -10.258 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.447 -15.852 -11.407 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.943 -16.690 -11.768 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.972 -18.126 -13.939 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.224 -18.837 -15.707 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.767 -16.570 -11.499 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.419 -18.736 -15.972 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.579 -16.913 -12.572 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.408 -17.993 -14.773 1.00 44.10 H new ATOM 818 N ASP A 55 67.803 -18.769 -9.758 1.00 34.41 N ATOM 819 CA ASP A 55 68.786 -19.848 -9.698 1.00 13.53 C ATOM 820 C ASP A 55 68.243 -21.025 -8.898 1.00 43.20 C ATOM 821 O ASP A 55 68.437 -22.186 -9.260 1.00 13.14 O ATOM 822 CB ASP A 55 70.075 -19.360 -9.035 1.00 34.21 C ATOM 823 CG ASP A 55 70.541 -18.017 -9.552 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.092 -16.986 -9.012 1.00 31.21 O ATOM 825 OD2 ASP A 55 71.367 -17.985 -10.489 1.00 31.22 O ATOM 0 H ASP A 55 68.097 -17.912 -9.289 1.00 34.41 H new ATOM 0 HA ASP A 55 68.994 -20.165 -10.720 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.919 -19.293 -7.958 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.861 -20.097 -9.198 1.00 34.21 H new ATOM 830 N ASP A 56 67.551 -20.711 -7.811 1.00 74.00 N ATOM 831 CA ASP A 56 67.044 -21.724 -6.891 1.00 13.50 C ATOM 832 C ASP A 56 65.789 -22.370 -7.461 1.00 35.01 C ATOM 833 O ASP A 56 65.404 -23.473 -7.071 1.00 73.34 O ATOM 834 CB ASP A 56 66.739 -21.088 -5.532 1.00 10.43 C ATOM 835 CG ASP A 56 66.435 -22.111 -4.458 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.321 -22.934 -4.141 1.00 45.42 O ATOM 837 OD2 ASP A 56 65.321 -22.079 -3.900 1.00 73.21 O ATOM 0 H ASP A 56 67.326 -19.753 -7.542 1.00 74.00 H new ATOM 0 HA ASP A 56 67.804 -22.494 -6.759 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.591 -20.483 -5.220 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.889 -20.413 -5.635 1.00 10.43 H new ATOM 842 N ILE A 57 65.166 -21.675 -8.401 1.00 54.25 N ATOM 843 CA ILE A 57 63.960 -22.159 -9.046 1.00 24.31 C ATOM 844 C ILE A 57 64.285 -23.303 -10.009 1.00 43.24 C ATOM 845 O ILE A 57 65.101 -23.144 -10.923 1.00 14.33 O ATOM 846 CB ILE A 57 63.245 -21.015 -9.796 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.814 -19.932 -8.802 1.00 25.30 C ATOM 848 CG2 ILE A 57 62.046 -21.534 -10.572 1.00 13.22 C ATOM 849 CD1 ILE A 57 62.108 -18.757 -9.440 1.00 14.05 C ATOM 0 H ILE A 57 65.482 -20.765 -8.735 1.00 54.25 H new ATOM 0 HA ILE A 57 63.291 -22.536 -8.273 1.00 24.31 H new ATOM 0 HB ILE A 57 63.943 -20.583 -10.513 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.155 -20.378 -8.058 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.694 -19.569 -8.271 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.562 -20.706 -11.090 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.377 -22.274 -11.300 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.338 -21.994 -9.883 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.835 -18.035 -8.670 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.771 -18.283 -10.164 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.208 -19.105 -9.946 1.00 14.05 H new ATOM 861 N PRO A 58 63.653 -24.473 -9.799 1.00 63.44 N ATOM 862 CA PRO A 58 63.894 -25.687 -10.597 1.00 3.44 C ATOM 863 C PRO A 58 63.713 -25.462 -12.096 1.00 51.00 C ATOM 864 O PRO A 58 62.860 -24.684 -12.523 1.00 45.01 O ATOM 865 CB PRO A 58 62.845 -26.682 -10.076 1.00 24.00 C ATOM 866 CG PRO A 58 61.865 -25.865 -9.307 1.00 73.11 C ATOM 867 CD PRO A 58 62.641 -24.707 -8.758 1.00 50.42 C ATOM 0 HA PRO A 58 64.922 -26.033 -10.489 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.359 -27.206 -10.899 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.305 -27.441 -9.443 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.053 -25.523 -9.948 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.413 -26.449 -8.505 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.009 -23.833 -8.604 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.096 -24.944 -7.797 1.00 50.42 H new ATOM 875 N ASP A 59 64.516 -26.160 -12.893 1.00 25.01 N ATOM 876 CA ASP A 59 64.488 -26.009 -14.347 1.00 41.44 C ATOM 877 C ASP A 59 63.159 -26.468 -14.923 1.00 34.41 C ATOM 878 O ASP A 59 62.747 -26.015 -15.990 1.00 72.22 O ATOM 879 CB ASP A 59 65.635 -26.781 -15.003 1.00 1.55 C ATOM 880 CG ASP A 59 66.993 -26.195 -14.679 1.00 42.44 C ATOM 881 OD1 ASP A 59 67.148 -24.956 -14.753 1.00 4.21 O ATOM 882 OD2 ASP A 59 67.913 -26.968 -14.339 1.00 11.32 O ATOM 0 H ASP A 59 65.198 -26.839 -12.556 1.00 25.01 H new ATOM 0 HA ASP A 59 64.612 -24.948 -14.565 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.604 -27.820 -14.674 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.494 -26.785 -16.084 1.00 1.55 H new ATOM 887 N ASP A 60 62.483 -27.347 -14.199 1.00 32.43 N ATOM 888 CA ASP A 60 61.200 -27.876 -14.642 1.00 54.13 C ATOM 889 C ASP A 60 60.054 -26.968 -14.214 1.00 24.24 C ATOM 890 O ASP A 60 58.892 -27.251 -14.509 1.00 12.35 O ATOM 891 CB ASP A 60 60.971 -29.280 -14.080 1.00 23.23 C ATOM 892 CG ASP A 60 60.760 -29.275 -12.578 1.00 23.22 C ATOM 893 OD1 ASP A 60 61.740 -29.050 -11.840 1.00 42.45 O ATOM 894 OD2 ASP A 60 59.619 -29.518 -12.131 1.00 70.35 O ATOM 0 H ASP A 60 62.801 -27.710 -13.301 1.00 32.43 H new ATOM 0 HA ASP A 60 61.224 -27.923 -15.731 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.102 -29.725 -14.565 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.828 -29.909 -14.322 1.00 23.23 H new ATOM 899 N TRP A 61 60.373 -25.883 -13.515 1.00 5.24 N ATOM 900 CA TRP A 61 59.349 -24.950 -13.066 1.00 42.43 C ATOM 901 C TRP A 61 58.677 -24.295 -14.261 1.00 33.21 C ATOM 902 O TRP A 61 59.333 -23.644 -15.082 1.00 22.24 O ATOM 903 CB TRP A 61 59.952 -23.883 -12.152 1.00 54.42 C ATOM 904 CG TRP A 61 58.931 -22.988 -11.517 1.00 53.20 C ATOM 905 CD1 TRP A 61 58.144 -23.285 -10.447 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.587 -21.650 -11.905 1.00 34.02 C ATOM 907 NE1 TRP A 61 57.336 -22.222 -10.142 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.585 -21.204 -11.022 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.030 -20.786 -12.912 1.00 1.13 C ATOM 910 CZ2 TRP A 61 57.021 -19.935 -11.116 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.466 -19.529 -13.004 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.471 -19.113 -12.111 1.00 25.01 C ATOM 0 H TRP A 61 61.325 -25.631 -13.250 1.00 5.24 H new ATOM 0 HA TRP A 61 58.602 -25.506 -12.500 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.531 -24.373 -11.369 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.648 -23.274 -12.729 1.00 54.42 H new ATOM 0 HD1 TRP A 61 58.155 -24.225 -9.915 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.657 -22.194 -9.381 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.799 -21.096 -13.604 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.255 -19.611 -10.427 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.798 -18.854 -13.779 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.051 -18.123 -12.210 1.00 25.01 H new ATOM 923 N SER A 62 57.378 -24.485 -14.364 1.00 54.20 N ATOM 924 CA SER A 62 56.616 -23.926 -15.452 1.00 3.30 C ATOM 925 C SER A 62 55.871 -22.678 -15.001 1.00 13.23 C ATOM 926 O SER A 62 55.535 -22.534 -13.824 1.00 63.43 O ATOM 927 CB SER A 62 55.641 -24.975 -15.987 1.00 63.43 C ATOM 928 OG SER A 62 55.000 -25.660 -14.922 1.00 64.32 O ATOM 0 H SER A 62 56.827 -25.028 -13.699 1.00 54.20 H new ATOM 0 HA SER A 62 57.298 -23.637 -16.251 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.893 -24.494 -16.618 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.176 -25.688 -16.614 1.00 63.43 H new ATOM 0 HG SER A 62 54.380 -26.325 -15.287 1.00 64.32 H new ATOM 934 N CYS A 63 55.649 -21.769 -15.937 1.00 24.15 N ATOM 935 CA CYS A 63 54.876 -20.567 -15.683 1.00 63.43 C ATOM 936 C CYS A 63 53.466 -20.935 -15.230 1.00 24.51 C ATOM 937 O CYS A 63 52.717 -21.557 -15.977 1.00 44.14 O ATOM 938 CB CYS A 63 54.814 -19.716 -16.954 1.00 63.12 C ATOM 939 SG CYS A 63 53.864 -18.186 -16.783 1.00 13.20 S ATOM 0 H CYS A 63 55.999 -21.845 -16.892 1.00 24.15 H new ATOM 0 HA CYS A 63 55.359 -19.993 -14.892 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.830 -19.466 -17.259 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.378 -20.313 -17.755 1.00 63.12 H new ATOM 0 HG CYS A 63 54.397 -17.445 -15.857 1.00 13.20 H new ATOM 944 N PRO A 64 53.093 -20.551 -14.002 1.00 12.23 N ATOM 945 CA PRO A 64 51.772 -20.855 -13.422 1.00 52.51 C ATOM 946 C PRO A 64 50.607 -20.321 -14.263 1.00 52.22 C ATOM 947 O PRO A 64 49.457 -20.713 -14.064 1.00 21.33 O ATOM 948 CB PRO A 64 51.813 -20.161 -12.050 1.00 2.43 C ATOM 949 CG PRO A 64 52.946 -19.192 -12.129 1.00 63.34 C ATOM 950 CD PRO A 64 53.943 -19.811 -13.056 1.00 75.23 C ATOM 0 HA PRO A 64 51.598 -21.930 -13.369 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.873 -19.650 -11.840 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.969 -20.883 -11.249 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.609 -18.226 -12.504 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.382 -19.018 -11.145 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.549 -19.058 -13.560 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.631 -20.472 -12.528 1.00 75.23 H new ATOM 958 N ASP A 65 50.908 -19.437 -15.205 1.00 62.43 N ATOM 959 CA ASP A 65 49.886 -18.854 -16.064 1.00 4.14 C ATOM 960 C ASP A 65 49.560 -19.766 -17.248 1.00 73.14 C ATOM 961 O ASP A 65 48.391 -20.016 -17.547 1.00 75.43 O ATOM 962 CB ASP A 65 50.343 -17.489 -16.577 1.00 75.11 C ATOM 963 CG ASP A 65 49.408 -16.919 -17.627 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.387 -16.305 -17.256 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.688 -17.084 -18.828 1.00 12.44 O ATOM 0 H ASP A 65 51.855 -19.107 -15.394 1.00 62.43 H new ATOM 0 HA ASP A 65 48.982 -18.736 -15.467 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.411 -16.794 -15.740 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.344 -17.579 -16.998 1.00 75.11 H new ATOM 970 N CYS A 66 50.592 -20.272 -17.910 1.00 24.23 N ATOM 971 CA CYS A 66 50.411 -21.045 -19.135 1.00 44.35 C ATOM 972 C CYS A 66 50.995 -22.450 -19.011 1.00 61.50 C ATOM 973 O CYS A 66 50.328 -23.441 -19.310 1.00 33.10 O ATOM 974 CB CYS A 66 51.055 -20.308 -20.311 1.00 11.53 C ATOM 975 SG CYS A 66 52.764 -19.794 -20.009 1.00 2.42 S ATOM 0 H CYS A 66 51.564 -20.162 -17.621 1.00 24.23 H new ATOM 0 HA CYS A 66 49.340 -21.150 -19.310 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.030 -20.954 -21.189 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.457 -19.427 -20.546 1.00 11.53 H new ATOM 0 HG CYS A 66 52.848 -19.233 -18.839 1.00 2.42 H new ATOM 980 N GLY A 67 52.236 -22.535 -18.569 1.00 11.35 N ATOM 981 CA GLY A 67 52.892 -23.818 -18.461 1.00 2.21 C ATOM 982 C GLY A 67 54.217 -23.849 -19.183 1.00 45.15 C ATOM 983 O GLY A 67 54.884 -24.883 -19.221 1.00 12.15 O ATOM 0 H GLY A 67 52.803 -21.737 -18.282 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.049 -24.055 -17.409 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.241 -24.591 -18.869 1.00 2.21 H new ATOM 987 N ALA A 68 54.593 -22.723 -19.769 1.00 3.21 N ATOM 988 CA ALA A 68 55.886 -22.602 -20.425 1.00 51.33 C ATOM 989 C ALA A 68 57.006 -22.637 -19.394 1.00 24.02 C ATOM 990 O ALA A 68 56.831 -22.168 -18.271 1.00 24.41 O ATOM 991 CB ALA A 68 55.940 -21.318 -21.234 1.00 22.41 C ATOM 0 H ALA A 68 54.021 -21.879 -19.804 1.00 3.21 H new ATOM 0 HA ALA A 68 56.020 -23.445 -21.103 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.911 -21.236 -21.722 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.155 -21.331 -21.990 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.793 -20.465 -20.572 1.00 22.41 H new ATOM 997 N ALA A 69 58.148 -23.186 -19.771 1.00 63.43 N ATOM 998 CA ALA A 69 59.251 -23.368 -18.837 1.00 14.25 C ATOM 999 C ALA A 69 60.061 -22.088 -18.690 1.00 45.14 C ATOM 1000 O ALA A 69 59.780 -21.088 -19.351 1.00 64.45 O ATOM 1001 CB ALA A 69 60.149 -24.507 -19.292 1.00 43.25 C ATOM 0 H ALA A 69 58.338 -23.514 -20.718 1.00 63.43 H new ATOM 0 HA ALA A 69 58.829 -23.618 -17.864 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.968 -24.630 -18.583 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.570 -25.429 -19.341 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.554 -24.280 -20.278 1.00 43.25 H new ATOM 1007 N LYS A 70 61.075 -22.131 -17.828 1.00 44.04 N ATOM 1008 CA LYS A 70 61.956 -20.983 -17.613 1.00 2.40 C ATOM 1009 C LYS A 70 62.591 -20.519 -18.922 1.00 33.52 C ATOM 1010 O LYS A 70 62.856 -19.329 -19.110 1.00 53.10 O ATOM 1011 CB LYS A 70 63.058 -21.322 -16.602 1.00 2.20 C ATOM 1012 CG LYS A 70 62.537 -21.719 -15.228 1.00 4.42 C ATOM 1013 CD LYS A 70 63.659 -21.771 -14.200 1.00 65.43 C ATOM 1014 CE LYS A 70 64.743 -22.757 -14.600 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.845 -22.825 -13.602 1.00 61.24 N ATOM 0 H LYS A 70 61.308 -22.950 -17.266 1.00 44.04 H new ATOM 0 HA LYS A 70 61.343 -20.174 -17.216 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.663 -22.137 -16.999 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.716 -20.460 -16.495 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.779 -21.006 -14.905 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.052 -22.693 -15.289 1.00 4.42 H new ATOM 0 HD2 LYS A 70 64.094 -20.778 -14.086 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.251 -22.053 -13.230 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.303 -23.747 -14.720 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.151 -22.470 -15.569 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.479 -23.614 -13.839 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 66.381 -21.934 -13.615 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.446 -22.974 -12.653 1.00 61.24 H new ATOM 1029 N SER A 71 62.813 -21.463 -19.829 1.00 24.44 N ATOM 1030 CA SER A 71 63.423 -21.177 -21.120 1.00 74.02 C ATOM 1031 C SER A 71 62.554 -20.226 -21.950 1.00 74.23 C ATOM 1032 O SER A 71 63.024 -19.626 -22.919 1.00 30.43 O ATOM 1033 CB SER A 71 63.634 -22.487 -21.875 1.00 35.23 C ATOM 1034 OG SER A 71 64.197 -23.472 -21.023 1.00 35.24 O ATOM 0 H SER A 71 62.576 -22.445 -19.690 1.00 24.44 H new ATOM 0 HA SER A 71 64.382 -20.686 -20.951 1.00 74.02 H new ATOM 0 HB2 SER A 71 62.682 -22.842 -22.270 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.291 -22.319 -22.728 1.00 35.23 H new ATOM 0 HG SER A 71 64.323 -24.305 -21.524 1.00 35.24 H new ATOM 1040 N ASP A 72 61.290 -20.088 -21.562 1.00 22.41 N ATOM 1041 CA ASP A 72 60.354 -19.239 -22.286 1.00 53.55 C ATOM 1042 C ASP A 72 60.141 -17.915 -21.552 1.00 72.53 C ATOM 1043 O ASP A 72 59.177 -17.190 -21.818 1.00 51.33 O ATOM 1044 CB ASP A 72 59.012 -19.957 -22.468 1.00 31.01 C ATOM 1045 CG ASP A 72 59.151 -21.302 -23.160 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.404 -21.326 -24.382 1.00 14.24 O ATOM 1047 OD2 ASP A 72 59.008 -22.344 -22.481 1.00 20.11 O ATOM 0 H ASP A 72 60.891 -20.555 -20.748 1.00 22.41 H new ATOM 0 HA ASP A 72 60.779 -19.027 -23.267 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.548 -20.102 -21.492 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.342 -19.323 -23.049 1.00 31.01 H new ATOM 1052 N PHE A 73 61.033 -17.608 -20.619 1.00 54.42 N ATOM 1053 CA PHE A 73 60.994 -16.329 -19.920 1.00 32.03 C ATOM 1054 C PHE A 73 62.078 -15.397 -20.448 1.00 41.43 C ATOM 1055 O PHE A 73 63.119 -15.848 -20.929 1.00 33.41 O ATOM 1056 CB PHE A 73 61.173 -16.523 -18.410 1.00 12.00 C ATOM 1057 CG PHE A 73 59.945 -17.026 -17.702 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.634 -18.375 -17.686 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.107 -16.143 -17.041 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.508 -18.834 -17.029 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.981 -16.594 -16.381 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.682 -17.941 -16.374 1.00 32.20 C ATOM 0 H PHE A 73 61.791 -18.226 -20.329 1.00 54.42 H new ATOM 0 HA PHE A 73 60.017 -15.881 -20.102 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.990 -17.225 -18.240 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.471 -15.573 -17.966 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.279 -19.077 -18.193 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.337 -15.088 -17.042 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.274 -19.888 -17.028 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.336 -15.894 -15.871 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.803 -18.297 -15.857 1.00 32.20 H new ATOM 1072 N GLU A 74 61.825 -14.100 -20.357 1.00 11.30 N ATOM 1073 CA GLU A 74 62.803 -13.096 -20.737 1.00 71.52 C ATOM 1074 C GLU A 74 63.265 -12.339 -19.496 1.00 63.42 C ATOM 1075 O GLU A 74 62.453 -11.991 -18.628 1.00 24.10 O ATOM 1076 CB GLU A 74 62.210 -12.123 -21.767 1.00 55.11 C ATOM 1077 CG GLU A 74 60.980 -11.380 -21.273 1.00 15.31 C ATOM 1078 CD GLU A 74 60.401 -10.438 -22.306 1.00 10.03 C ATOM 1079 OE1 GLU A 74 59.651 -10.897 -23.187 1.00 33.13 O ATOM 1080 OE2 GLU A 74 60.670 -9.221 -22.231 1.00 22.12 O ATOM 0 H GLU A 74 60.942 -13.717 -20.020 1.00 11.30 H new ATOM 0 HA GLU A 74 63.659 -13.592 -21.195 1.00 71.52 H new ATOM 0 HB2 GLU A 74 62.973 -11.397 -22.048 1.00 55.11 H new ATOM 0 HB3 GLU A 74 61.950 -12.677 -22.669 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.218 -12.103 -20.982 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.240 -10.814 -20.379 1.00 15.31 H new ATOM 1087 N MET A 75 64.566 -12.122 -19.395 1.00 1.12 N ATOM 1088 CA MET A 75 65.137 -11.440 -18.245 1.00 0.12 C ATOM 1089 C MET A 75 65.011 -9.925 -18.387 1.00 41.40 C ATOM 1090 O MET A 75 65.701 -9.297 -19.193 1.00 64.03 O ATOM 1091 CB MET A 75 66.609 -11.827 -18.060 1.00 65.23 C ATOM 1092 CG MET A 75 67.242 -11.217 -16.818 1.00 22.24 C ATOM 1093 SD MET A 75 69.007 -11.567 -16.680 1.00 62.41 S ATOM 1094 CE MET A 75 69.007 -13.358 -16.610 1.00 41.21 C ATOM 0 H MET A 75 65.248 -12.409 -20.097 1.00 1.12 H new ATOM 0 HA MET A 75 64.577 -11.753 -17.364 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.687 -12.913 -18.003 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.173 -11.513 -18.938 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.092 -10.138 -16.833 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.732 -11.597 -15.933 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.770 -13.695 -15.908 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.030 -13.709 -16.279 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.221 -13.761 -17.600 1.00 41.21 H new ATOM 1104 N VAL A 76 64.113 -9.350 -17.611 1.00 52.24 N ATOM 1105 CA VAL A 76 63.945 -7.909 -17.564 1.00 50.44 C ATOM 1106 C VAL A 76 64.630 -7.361 -16.318 1.00 33.40 C ATOM 1107 O VAL A 76 64.491 -7.919 -15.229 1.00 12.34 O ATOM 1108 CB VAL A 76 62.451 -7.519 -17.547 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.279 -6.006 -17.567 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.721 -8.162 -18.717 1.00 70.33 C ATOM 0 H VAL A 76 63.481 -9.865 -16.998 1.00 52.24 H new ATOM 0 HA VAL A 76 64.397 -7.481 -18.459 1.00 50.44 H new ATOM 0 HB VAL A 76 62.013 -7.891 -16.621 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.217 -5.760 -17.554 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.762 -5.573 -16.691 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.735 -5.600 -18.470 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.669 -7.877 -18.690 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.165 -7.824 -19.653 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.805 -9.246 -18.647 1.00 70.33 H new