USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=12 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 -162:sc=-0.00489 USER MOD Set 1.2: A 33 CYS SG : rot 176:sc= 2.5 USER MOD Set 1.3: A 63 CYS SG : rot 67:sc= -1.95! USER MOD Set 1.4: A 66 CYS SG : rot -113:sc= 1.59 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0285 (180deg=-0.35) USER MOD Single : A 32 GLN : amide:sc= 0.897 K(o=0.9,f=-1.1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.559 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= 0.563 (180deg=-1.45!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -164:sc= -0.152 (180deg=-0.61) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 65.415 -6.106 -6.981 1.00 42.41 N ATOM 351 CA TYR A 25 65.458 -7.444 -7.562 1.00 12.14 C ATOM 352 C TYR A 25 65.079 -7.427 -9.038 1.00 32.30 C ATOM 353 O TYR A 25 64.456 -6.481 -9.518 1.00 32.03 O ATOM 354 CB TYR A 25 64.532 -8.383 -6.791 1.00 42.40 C ATOM 355 CG TYR A 25 64.982 -8.659 -5.376 1.00 42.33 C ATOM 356 CD1 TYR A 25 64.685 -7.784 -4.340 1.00 5.11 C ATOM 357 CD2 TYR A 25 65.698 -9.809 -5.080 1.00 12.22 C ATOM 358 CE1 TYR A 25 65.095 -8.046 -3.049 1.00 35.34 C ATOM 359 CE2 TYR A 25 66.109 -10.083 -3.793 1.00 74.12 C ATOM 360 CZ TYR A 25 65.803 -9.200 -2.780 1.00 72.10 C ATOM 361 OH TYR A 25 66.204 -9.467 -1.494 1.00 54.31 O ATOM 0 HA TYR A 25 66.483 -7.807 -7.486 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.531 -7.951 -6.766 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.458 -9.328 -7.329 1.00 42.40 H new ATOM 0 HD1 TYR A 25 64.124 -6.885 -4.548 1.00 5.11 H new ATOM 0 HD2 TYR A 25 65.938 -10.503 -5.872 1.00 12.22 H new ATOM 0 HE1 TYR A 25 64.863 -7.353 -2.254 1.00 35.34 H new ATOM 0 HE2 TYR A 25 66.667 -10.983 -3.580 1.00 74.12 H new ATOM 0 HH TYR A 25 66.690 -10.318 -1.473 1.00 54.31 H new ATOM 371 N LYS A 26 65.450 -8.482 -9.750 1.00 31.42 N ATOM 372 CA LYS A 26 65.226 -8.548 -11.185 1.00 10.43 C ATOM 373 C LYS A 26 63.818 -9.031 -11.507 1.00 64.22 C ATOM 374 O LYS A 26 63.102 -9.555 -10.639 1.00 33.23 O ATOM 375 CB LYS A 26 66.257 -9.469 -11.843 1.00 44.31 C ATOM 376 CG LYS A 26 67.701 -9.034 -11.629 1.00 40.14 C ATOM 377 CD LYS A 26 67.947 -7.627 -12.157 1.00 14.02 C ATOM 378 CE LYS A 26 69.404 -7.219 -12.009 1.00 14.41 C ATOM 379 NZ LYS A 26 70.308 -8.119 -12.769 1.00 2.34 N ATOM 0 H LYS A 26 65.908 -9.304 -9.356 1.00 31.42 H new ATOM 0 HA LYS A 26 65.338 -7.540 -11.584 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.130 -10.478 -11.451 1.00 44.31 H new ATOM 0 HB3 LYS A 26 66.057 -9.515 -12.913 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.939 -9.071 -10.566 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.370 -9.733 -12.130 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.660 -7.577 -13.207 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.315 -6.921 -11.619 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.532 -6.195 -12.359 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.680 -7.232 -10.955 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.240 -7.669 -12.872 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.412 -9.019 -12.258 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.906 -8.301 -13.711 1.00 2.34 H new ATOM 393 N LEU A 27 63.425 -8.843 -12.760 1.00 10.35 N ATOM 394 CA LEU A 27 62.106 -9.247 -13.216 1.00 63.42 C ATOM 395 C LEU A 27 62.241 -10.304 -14.305 1.00 12.52 C ATOM 396 O LEU A 27 63.218 -10.313 -15.052 1.00 23.11 O ATOM 397 CB LEU A 27 61.338 -8.036 -13.758 1.00 14.35 C ATOM 398 CG LEU A 27 61.361 -6.784 -12.871 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.599 -5.647 -13.535 1.00 23.04 C ATOM 400 CD2 LEU A 27 60.781 -7.083 -11.495 1.00 64.32 C ATOM 0 H LEU A 27 64.005 -8.411 -13.479 1.00 10.35 H new ATOM 0 HA LEU A 27 61.553 -9.665 -12.374 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.748 -7.775 -14.734 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.300 -8.328 -13.916 1.00 14.35 H new ATOM 0 HG LEU A 27 62.399 -6.477 -12.743 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.625 -4.767 -12.892 1.00 23.04 H new ATOM 0 HD12 LEU A 27 61.061 -5.410 -14.493 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.564 -5.948 -13.696 1.00 23.04 H new ATOM 0 HD21 LEU A 27 60.808 -6.180 -10.885 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.749 -7.419 -11.600 1.00 64.32 H new ATOM 0 HD23 LEU A 27 61.370 -7.864 -11.014 1.00 64.32 H new ATOM 412 N PHE A 28 61.278 -11.205 -14.380 1.00 1.00 N ATOM 413 CA PHE A 28 61.259 -12.226 -15.420 1.00 50.25 C ATOM 414 C PHE A 28 59.870 -12.319 -16.034 1.00 32.34 C ATOM 415 O PHE A 28 58.873 -12.343 -15.324 1.00 14.13 O ATOM 416 CB PHE A 28 61.696 -13.585 -14.859 1.00 13.43 C ATOM 417 CG PHE A 28 63.162 -13.650 -14.541 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.641 -13.251 -13.305 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.065 -14.102 -15.489 1.00 54.21 C ATOM 420 CE1 PHE A 28 64.991 -13.298 -13.021 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.416 -14.149 -15.214 1.00 45.12 C ATOM 422 CZ PHE A 28 65.881 -13.748 -13.977 1.00 30.44 C ATOM 0 H PHE A 28 60.493 -11.253 -13.730 1.00 1.00 H new ATOM 0 HA PHE A 28 61.967 -11.942 -16.198 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.125 -13.798 -13.955 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.453 -14.364 -15.581 1.00 13.43 H new ATOM 0 HD1 PHE A 28 62.950 -12.899 -12.554 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.707 -14.422 -16.456 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.351 -12.983 -12.053 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.109 -14.499 -15.965 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.938 -13.786 -13.758 1.00 30.44 H new ATOM 432 N ARG A 29 59.805 -12.361 -17.351 1.00 72.21 N ATOM 433 CA ARG A 29 58.526 -12.319 -18.043 1.00 15.21 C ATOM 434 C ARG A 29 58.384 -13.483 -19.016 1.00 74.30 C ATOM 435 O ARG A 29 59.304 -13.793 -19.763 1.00 12.12 O ATOM 436 CB ARG A 29 58.397 -10.988 -18.781 1.00 53.45 C ATOM 437 CG ARG A 29 57.119 -10.838 -19.580 1.00 41.44 C ATOM 438 CD ARG A 29 57.118 -9.531 -20.357 1.00 1.41 C ATOM 439 NE ARG A 29 57.198 -8.375 -19.466 1.00 42.11 N ATOM 440 CZ ARG A 29 58.124 -7.420 -19.545 1.00 34.34 C ATOM 441 NH1 ARG A 29 59.109 -7.500 -20.433 1.00 14.43 N ATOM 442 NH2 ARG A 29 58.081 -6.406 -18.696 1.00 21.35 N ATOM 0 H ARG A 29 60.618 -12.424 -17.964 1.00 72.21 H new ATOM 0 HA ARG A 29 57.727 -12.409 -17.307 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.455 -10.177 -18.055 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.247 -10.875 -19.454 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.015 -11.676 -20.269 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.260 -10.868 -18.910 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.961 -9.517 -21.048 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.211 -9.465 -20.959 1.00 1.41 H new ATOM 0 HE ARG A 29 56.495 -8.294 -18.731 1.00 42.11 H new ATOM 0 HH11 ARG A 29 59.163 -8.299 -21.065 1.00 14.43 H new ATOM 0 HH12 ARG A 29 59.812 -6.762 -20.483 1.00 14.43 H new ATOM 0 HH21 ARG A 29 57.345 -6.362 -17.991 1.00 21.35 H new ATOM 0 HH22 ARG A 29 58.784 -5.669 -18.746 1.00 21.35 H new ATOM 456 N CYS A 30 57.228 -14.129 -18.991 1.00 53.14 N ATOM 457 CA CYS A 30 56.940 -15.222 -19.904 1.00 13.35 C ATOM 458 C CYS A 30 56.625 -14.676 -21.293 1.00 23.11 C ATOM 459 O CYS A 30 55.766 -13.809 -21.444 1.00 13.32 O ATOM 460 CB CYS A 30 55.764 -16.049 -19.382 1.00 24.13 C ATOM 461 SG CYS A 30 55.453 -17.563 -20.318 1.00 1.33 S ATOM 0 H CYS A 30 56.470 -13.912 -18.343 1.00 53.14 H new ATOM 0 HA CYS A 30 57.818 -15.865 -19.971 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.952 -16.311 -18.341 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.865 -15.433 -19.399 1.00 24.13 H new ATOM 0 HG CYS A 30 54.249 -17.986 -20.071 1.00 1.33 H new ATOM 466 N ILE A 31 57.315 -15.189 -22.299 1.00 13.20 N ATOM 467 CA ILE A 31 57.167 -14.701 -23.665 1.00 62.43 C ATOM 468 C ILE A 31 55.981 -15.358 -24.363 1.00 64.12 C ATOM 469 O ILE A 31 55.560 -14.926 -25.438 1.00 21.10 O ATOM 470 CB ILE A 31 58.445 -14.955 -24.497 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.713 -16.460 -24.623 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.638 -14.247 -23.870 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.949 -16.795 -25.429 1.00 74.30 C ATOM 0 H ILE A 31 57.988 -15.948 -22.196 1.00 13.20 H new ATOM 0 HA ILE A 31 56.993 -13.627 -23.597 1.00 62.43 H new ATOM 0 HB ILE A 31 58.293 -14.549 -25.497 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.815 -16.886 -23.625 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.849 -16.936 -25.086 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.529 -14.436 -24.468 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.447 -13.175 -23.833 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.794 -14.622 -22.859 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.072 -17.877 -25.474 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.843 -16.400 -26.439 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.824 -16.350 -24.956 1.00 74.30 H new ATOM 485 N GLN A 32 55.442 -16.401 -23.745 1.00 51.33 N ATOM 486 CA GLN A 32 54.332 -17.145 -24.324 1.00 23.44 C ATOM 487 C GLN A 32 52.997 -16.470 -24.036 1.00 13.04 C ATOM 488 O GLN A 32 51.984 -16.811 -24.644 1.00 35.13 O ATOM 489 CB GLN A 32 54.304 -18.575 -23.784 1.00 55.24 C ATOM 490 CG GLN A 32 55.464 -19.441 -24.253 1.00 33.15 C ATOM 491 CD GLN A 32 55.537 -19.555 -25.765 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.525 -19.440 -26.458 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.727 -19.814 -26.284 1.00 22.30 N ATOM 0 H GLN A 32 55.757 -16.751 -22.840 1.00 51.33 H new ATOM 0 HA GLN A 32 54.484 -17.166 -25.403 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.308 -18.540 -22.695 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.368 -19.047 -24.084 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.398 -19.023 -23.879 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.365 -20.437 -23.822 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.541 -19.902 -25.675 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.830 -19.926 -27.293 1.00 22.30 H new ATOM 502 N CYS A 33 52.995 -15.518 -23.116 1.00 2.20 N ATOM 503 CA CYS A 33 51.754 -14.853 -22.735 1.00 22.24 C ATOM 504 C CYS A 33 52.002 -13.444 -22.202 1.00 72.42 C ATOM 505 O CYS A 33 51.310 -12.495 -22.574 1.00 22.31 O ATOM 506 CB CYS A 33 51.012 -15.694 -21.693 1.00 41.11 C ATOM 507 SG CYS A 33 52.014 -16.174 -20.263 1.00 25.30 S ATOM 0 H CYS A 33 53.826 -15.190 -22.624 1.00 2.20 H new ATOM 0 HA CYS A 33 51.139 -14.757 -23.630 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.146 -15.133 -21.342 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.634 -16.596 -22.175 1.00 41.11 H new ATOM 0 HG CYS A 33 51.272 -16.814 -19.409 1.00 25.30 H new ATOM 512 N GLY A 34 52.989 -13.307 -21.334 1.00 75.22 N ATOM 513 CA GLY A 34 53.274 -12.018 -20.741 1.00 61.15 C ATOM 514 C GLY A 34 53.257 -12.066 -19.229 1.00 41.20 C ATOM 515 O GLY A 34 53.357 -11.032 -18.572 1.00 65.41 O ATOM 0 H GLY A 34 53.599 -14.065 -21.028 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.250 -11.672 -21.080 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.540 -11.291 -21.088 1.00 61.15 H new ATOM 519 N PHE A 35 53.120 -13.270 -18.680 1.00 44.34 N ATOM 520 CA PHE A 35 53.164 -13.464 -17.235 1.00 63.14 C ATOM 521 C PHE A 35 54.475 -12.931 -16.670 1.00 62.11 C ATOM 522 O PHE A 35 55.551 -13.405 -17.032 1.00 22.11 O ATOM 523 CB PHE A 35 53.010 -14.950 -16.894 1.00 51.10 C ATOM 524 CG PHE A 35 53.158 -15.266 -15.429 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.088 -15.118 -14.562 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.366 -15.722 -14.924 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.221 -15.415 -13.220 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.506 -16.020 -13.583 1.00 63.43 C ATOM 529 CZ PHE A 35 53.430 -15.866 -12.729 1.00 22.21 C ATOM 0 H PHE A 35 52.977 -14.126 -19.215 1.00 44.34 H new ATOM 0 HA PHE A 35 52.338 -12.913 -16.785 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.030 -15.289 -17.230 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.753 -15.519 -17.454 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.139 -14.766 -14.940 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.209 -15.846 -15.588 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.379 -15.294 -12.554 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.453 -16.372 -13.203 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.535 -16.098 -11.679 1.00 22.21 H new ATOM 539 N GLU A 36 54.382 -11.939 -15.800 1.00 21.30 N ATOM 540 CA GLU A 36 55.562 -11.332 -15.215 1.00 35.33 C ATOM 541 C GLU A 36 55.781 -11.815 -13.786 1.00 44.03 C ATOM 542 O GLU A 36 54.842 -11.937 -13.004 1.00 52.25 O ATOM 543 CB GLU A 36 55.451 -9.811 -15.266 1.00 30.54 C ATOM 544 CG GLU A 36 55.742 -9.239 -16.644 1.00 13.22 C ATOM 545 CD GLU A 36 55.334 -7.789 -16.786 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.121 -7.517 -16.875 1.00 54.43 O ATOM 547 OE2 GLU A 36 56.227 -6.919 -16.838 1.00 35.32 O ATOM 0 H GLU A 36 53.499 -11.538 -15.484 1.00 21.30 H new ATOM 0 HA GLU A 36 56.430 -11.637 -15.800 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.447 -9.515 -14.961 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.144 -9.377 -14.545 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.808 -9.332 -16.851 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.219 -9.832 -17.394 1.00 13.22 H new ATOM 554 N TYR A 37 57.030 -12.108 -13.483 1.00 71.04 N ATOM 555 CA TYR A 37 57.436 -12.589 -12.175 1.00 2.31 C ATOM 556 C TYR A 37 58.511 -11.679 -11.590 1.00 2.10 C ATOM 557 O TYR A 37 59.574 -11.497 -12.185 1.00 33.24 O ATOM 558 CB TYR A 37 57.956 -14.028 -12.296 1.00 64.22 C ATOM 559 CG TYR A 37 58.756 -14.502 -11.100 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.133 -14.846 -9.910 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.143 -14.604 -11.170 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.868 -15.274 -8.820 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.882 -15.030 -10.086 1.00 42.11 C ATOM 564 CZ TYR A 37 60.241 -15.367 -8.914 1.00 3.33 C ATOM 565 OH TYR A 37 60.975 -15.793 -7.831 1.00 35.44 O ATOM 0 H TYR A 37 57.801 -12.018 -14.145 1.00 71.04 H new ATOM 0 HA TYR A 37 56.577 -12.578 -11.504 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.108 -14.698 -12.440 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.578 -14.104 -13.188 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.058 -14.779 -9.833 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.649 -14.345 -12.089 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.369 -15.535 -7.898 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.958 -15.099 -10.156 1.00 42.11 H new ATOM 0 HH TYR A 37 61.927 -15.803 -8.064 1.00 35.44 H new ATOM 575 N ASP A 38 58.227 -11.103 -10.434 1.00 70.50 N ATOM 576 CA ASP A 38 59.192 -10.255 -9.747 1.00 10.30 C ATOM 577 C ASP A 38 59.974 -11.088 -8.741 1.00 4.53 C ATOM 578 O ASP A 38 59.374 -11.785 -7.919 1.00 73.13 O ATOM 579 CB ASP A 38 58.492 -9.116 -8.996 1.00 64.12 C ATOM 580 CG ASP A 38 57.519 -8.318 -9.847 1.00 45.13 C ATOM 581 OD1 ASP A 38 57.820 -8.064 -11.029 1.00 51.42 O ATOM 582 OD2 ASP A 38 56.456 -7.925 -9.315 1.00 30.54 O ATOM 0 H ASP A 38 57.335 -11.206 -9.949 1.00 70.50 H new ATOM 0 HA ASP A 38 59.859 -9.829 -10.496 1.00 10.30 H new ATOM 0 HB2 ASP A 38 57.955 -9.533 -8.144 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.248 -8.440 -8.597 1.00 64.12 H new ATOM 587 N GLU A 39 61.302 -11.023 -8.779 1.00 21.24 N ATOM 588 CA GLU A 39 62.114 -11.780 -7.823 1.00 73.35 C ATOM 589 C GLU A 39 61.876 -11.309 -6.387 1.00 61.05 C ATOM 590 O GLU A 39 62.100 -12.057 -5.434 1.00 14.23 O ATOM 591 CB GLU A 39 63.601 -11.672 -8.151 1.00 3.15 C ATOM 592 CG GLU A 39 64.045 -12.529 -9.320 1.00 2.32 C ATOM 593 CD GLU A 39 65.550 -12.684 -9.360 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.246 -11.666 -9.523 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.041 -13.824 -9.188 1.00 61.24 O ATOM 0 H GLU A 39 61.834 -10.466 -9.447 1.00 21.24 H new ATOM 0 HA GLU A 39 61.806 -12.822 -7.906 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.839 -10.631 -8.368 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.177 -11.954 -7.270 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.580 -13.512 -9.248 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.700 -12.081 -10.252 1.00 2.32 H new ATOM 602 N ALA A 40 61.426 -10.072 -6.234 1.00 41.21 N ATOM 603 CA ALA A 40 61.160 -9.514 -4.913 1.00 41.44 C ATOM 604 C ALA A 40 59.742 -9.836 -4.450 1.00 73.14 C ATOM 605 O ALA A 40 59.399 -9.627 -3.289 1.00 63.31 O ATOM 606 CB ALA A 40 61.378 -8.015 -4.915 1.00 64.54 C ATOM 0 H ALA A 40 61.237 -9.434 -7.007 1.00 41.21 H new ATOM 0 HA ALA A 40 61.859 -9.973 -4.213 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.175 -7.616 -3.921 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.410 -7.798 -5.189 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.706 -7.551 -5.637 1.00 64.54 H new ATOM 612 N LEU A 41 58.922 -10.335 -5.364 1.00 35.01 N ATOM 613 CA LEU A 41 57.539 -10.662 -5.042 1.00 43.03 C ATOM 614 C LEU A 41 57.383 -12.163 -4.835 1.00 41.24 C ATOM 615 O LEU A 41 56.694 -12.605 -3.917 1.00 5.12 O ATOM 616 CB LEU A 41 56.602 -10.183 -6.157 1.00 54.42 C ATOM 617 CG LEU A 41 55.112 -10.450 -5.924 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.618 -9.708 -4.687 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.305 -10.050 -7.150 1.00 50.10 C ATOM 0 H LEU A 41 59.188 -10.522 -6.331 1.00 35.01 H new ATOM 0 HA LEU A 41 57.271 -10.151 -4.117 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.745 -9.111 -6.292 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.898 -10.664 -7.089 1.00 54.42 H new ATOM 0 HG LEU A 41 54.975 -11.518 -5.754 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.557 -9.912 -4.540 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.177 -10.045 -3.814 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.767 -8.637 -4.822 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.248 -10.246 -6.970 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.449 -8.988 -7.350 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.639 -10.629 -8.011 1.00 50.10 H new ATOM 631 N GLY A 42 58.042 -12.936 -5.686 1.00 60.35 N ATOM 632 CA GLY A 42 57.935 -14.376 -5.609 1.00 65.42 C ATOM 633 C GLY A 42 56.618 -14.863 -6.172 1.00 1.31 C ATOM 634 O GLY A 42 56.009 -14.189 -7.003 1.00 22.32 O ATOM 0 H GLY A 42 58.649 -12.590 -6.429 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.758 -14.833 -6.158 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.028 -14.694 -4.571 1.00 65.42 H new ATOM 638 N TRP A 43 56.175 -16.025 -5.725 1.00 34.01 N ATOM 639 CA TRP A 43 54.904 -16.576 -6.163 1.00 72.13 C ATOM 640 C TRP A 43 54.419 -17.608 -5.152 1.00 1.53 C ATOM 641 O TRP A 43 54.570 -18.817 -5.354 1.00 0.54 O ATOM 642 CB TRP A 43 55.030 -17.198 -7.557 1.00 22.21 C ATOM 643 CG TRP A 43 53.713 -17.399 -8.242 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.120 -18.589 -8.554 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.824 -16.373 -8.694 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.914 -18.363 -9.175 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.713 -17.011 -9.274 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.863 -14.976 -8.666 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.649 -16.299 -9.820 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.807 -14.271 -9.209 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.712 -14.934 -9.778 1.00 72.01 C ATOM 0 H TRP A 43 56.679 -16.608 -5.056 1.00 34.01 H new ATOM 0 HA TRP A 43 54.173 -15.770 -6.226 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.659 -16.558 -8.176 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.537 -18.159 -7.473 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.536 -19.563 -8.344 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.274 -19.084 -9.508 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.703 -14.458 -8.228 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.804 -16.807 -10.261 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.826 -13.191 -9.195 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.900 -14.354 -10.192 1.00 72.01 H new ATOM 662 N PRO A 44 53.841 -17.137 -4.035 1.00 45.41 N ATOM 663 CA PRO A 44 53.422 -18.004 -2.930 1.00 41.22 C ATOM 664 C PRO A 44 52.292 -18.932 -3.347 1.00 43.31 C ATOM 665 O PRO A 44 52.044 -19.956 -2.711 1.00 52.04 O ATOM 666 CB PRO A 44 52.950 -17.035 -1.840 1.00 1.41 C ATOM 667 CG PRO A 44 53.387 -15.675 -2.277 1.00 43.31 C ATOM 668 CD PRO A 44 53.535 -15.724 -3.770 1.00 12.02 C ATOM 0 HA PRO A 44 54.231 -18.653 -2.595 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.867 -17.078 -1.723 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.385 -17.293 -0.874 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.655 -14.922 -1.986 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.330 -15.402 -1.804 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.622 -15.409 -4.275 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.334 -15.068 -4.117 1.00 12.02 H new ATOM 676 N GLU A 45 51.621 -18.557 -4.430 1.00 52.10 N ATOM 677 CA GLU A 45 50.583 -19.386 -5.033 1.00 33.11 C ATOM 678 C GLU A 45 51.122 -20.783 -5.339 1.00 32.45 C ATOM 679 O GLU A 45 50.448 -21.787 -5.114 1.00 53.21 O ATOM 680 CB GLU A 45 50.090 -18.741 -6.329 1.00 63.41 C ATOM 681 CG GLU A 45 49.478 -17.366 -6.144 1.00 44.43 C ATOM 682 CD GLU A 45 48.147 -17.417 -5.427 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.136 -17.746 -6.077 1.00 63.33 O ATOM 684 OE2 GLU A 45 48.104 -17.129 -4.217 1.00 61.31 O ATOM 0 H GLU A 45 51.780 -17.673 -4.914 1.00 52.10 H new ATOM 0 HA GLU A 45 49.757 -19.471 -4.327 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.926 -18.664 -7.024 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.351 -19.396 -6.790 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.167 -16.738 -5.580 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.344 -16.897 -7.119 1.00 44.43 H new ATOM 691 N ASP A 46 52.349 -20.836 -5.846 1.00 54.25 N ATOM 692 CA ASP A 46 52.966 -22.104 -6.221 1.00 30.40 C ATOM 693 C ASP A 46 53.959 -22.566 -5.156 1.00 61.32 C ATOM 694 O ASP A 46 54.249 -23.756 -5.034 1.00 73.23 O ATOM 695 CB ASP A 46 53.674 -21.957 -7.570 1.00 23.20 C ATOM 696 CG ASP A 46 54.342 -23.237 -8.024 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.653 -24.098 -8.611 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.558 -23.379 -7.812 1.00 44.11 O ATOM 0 H ASP A 46 52.936 -20.017 -6.007 1.00 54.25 H new ATOM 0 HA ASP A 46 52.182 -22.857 -6.304 1.00 30.40 H new ATOM 0 HB2 ASP A 46 52.951 -21.643 -8.323 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.422 -21.168 -7.498 1.00 23.20 H new ATOM 703 N GLY A 47 54.451 -21.622 -4.364 1.00 73.12 N ATOM 704 CA GLY A 47 55.388 -21.960 -3.309 1.00 12.11 C ATOM 705 C GLY A 47 56.691 -21.194 -3.414 1.00 64.11 C ATOM 706 O GLY A 47 57.581 -21.353 -2.576 1.00 22.42 O ATOM 0 H GLY A 47 54.219 -20.631 -4.432 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.929 -21.756 -2.342 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.597 -23.029 -3.343 1.00 12.11 H new ATOM 710 N ILE A 48 56.808 -20.363 -4.441 1.00 0.01 N ATOM 711 CA ILE A 48 58.000 -19.549 -4.640 1.00 25.24 C ATOM 712 C ILE A 48 58.007 -18.385 -3.655 1.00 62.01 C ATOM 713 O ILE A 48 57.028 -17.646 -3.552 1.00 62.43 O ATOM 714 CB ILE A 48 58.079 -19.001 -6.084 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.946 -20.138 -7.108 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.383 -18.242 -6.293 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.030 -21.189 -7.004 1.00 43.03 C ATOM 0 H ILE A 48 56.088 -20.235 -5.152 1.00 0.01 H new ATOM 0 HA ILE A 48 58.868 -20.185 -4.468 1.00 25.24 H new ATOM 0 HB ILE A 48 57.248 -18.311 -6.234 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.976 -20.617 -6.979 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.961 -19.713 -8.112 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.424 -17.863 -7.314 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.434 -17.408 -5.594 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.225 -18.912 -6.121 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.866 -21.957 -7.760 1.00 43.03 H new ATOM 0 HD12 ILE A 48 60.003 -20.725 -7.163 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.002 -21.643 -6.014 1.00 43.03 H new ATOM 729 N ALA A 49 59.108 -18.216 -2.942 1.00 31.20 N ATOM 730 CA ALA A 49 59.184 -17.211 -1.897 1.00 5.11 C ATOM 731 C ALA A 49 59.781 -15.908 -2.418 1.00 32.55 C ATOM 732 O ALA A 49 60.606 -15.907 -3.337 1.00 44.13 O ATOM 733 CB ALA A 49 60.001 -17.733 -0.724 1.00 50.42 C ATOM 0 H ALA A 49 59.960 -18.762 -3.068 1.00 31.20 H new ATOM 0 HA ALA A 49 58.169 -17.001 -1.560 1.00 5.11 H new ATOM 0 HB1 ALA A 49 60.051 -16.970 0.053 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.529 -18.630 -0.322 1.00 50.42 H new ATOM 0 HB3 ALA A 49 61.009 -17.973 -1.061 1.00 50.42 H new ATOM 739 N ALA A 50 59.346 -14.800 -1.837 1.00 43.33 N ATOM 740 CA ALA A 50 59.905 -13.500 -2.163 1.00 31.42 C ATOM 741 C ALA A 50 61.399 -13.478 -1.857 1.00 65.35 C ATOM 742 O ALA A 50 61.810 -13.630 -0.704 1.00 33.24 O ATOM 743 CB ALA A 50 59.186 -12.403 -1.389 1.00 12.13 C ATOM 0 H ALA A 50 58.606 -14.777 -1.136 1.00 43.33 H new ATOM 0 HA ALA A 50 59.765 -13.317 -3.228 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.617 -11.435 -1.645 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.127 -12.409 -1.648 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.298 -12.579 -0.319 1.00 12.13 H new ATOM 749 N GLY A 51 62.212 -13.304 -2.890 1.00 23.11 N ATOM 750 CA GLY A 51 63.647 -13.311 -2.704 1.00 51.21 C ATOM 751 C GLY A 51 64.301 -14.559 -3.264 1.00 12.22 C ATOM 752 O GLY A 51 65.527 -14.681 -3.242 1.00 44.15 O ATOM 0 H GLY A 51 61.903 -13.158 -3.851 1.00 23.11 H new ATOM 0 HA2 GLY A 51 64.076 -12.433 -3.186 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.872 -13.233 -1.640 1.00 51.21 H new ATOM 756 N THR A 52 63.493 -15.489 -3.756 1.00 34.23 N ATOM 757 CA THR A 52 64.021 -16.666 -4.429 1.00 72.11 C ATOM 758 C THR A 52 64.643 -16.276 -5.771 1.00 32.45 C ATOM 759 O THR A 52 63.997 -15.626 -6.597 1.00 11.25 O ATOM 760 CB THR A 52 62.920 -17.727 -4.653 1.00 4.53 C ATOM 761 OG1 THR A 52 62.398 -18.168 -3.393 1.00 61.21 O ATOM 762 CG2 THR A 52 63.456 -18.926 -5.421 1.00 63.31 C ATOM 0 H THR A 52 62.475 -15.451 -3.702 1.00 34.23 H new ATOM 0 HA THR A 52 64.788 -17.099 -3.787 1.00 72.11 H new ATOM 0 HB THR A 52 62.127 -17.264 -5.241 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.730 -17.526 -3.073 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.657 -19.654 -5.562 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.826 -18.600 -6.393 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.270 -19.384 -4.859 1.00 63.31 H new ATOM 770 N ARG A 53 65.907 -16.646 -5.967 1.00 11.11 N ATOM 771 CA ARG A 53 66.592 -16.387 -7.230 1.00 1.42 C ATOM 772 C ARG A 53 66.029 -17.268 -8.332 1.00 24.11 C ATOM 773 O ARG A 53 65.610 -18.397 -8.075 1.00 33.21 O ATOM 774 CB ARG A 53 68.103 -16.636 -7.103 1.00 42.33 C ATOM 775 CG ARG A 53 68.859 -15.603 -6.273 1.00 70.11 C ATOM 776 CD ARG A 53 68.858 -14.227 -6.927 1.00 62.02 C ATOM 777 NE ARG A 53 67.523 -13.643 -6.943 1.00 73.44 N ATOM 778 CZ ARG A 53 66.933 -13.124 -5.868 1.00 34.42 C ATOM 779 NH1 ARG A 53 67.620 -12.938 -4.745 1.00 5.03 N ATOM 780 NH2 ARG A 53 65.660 -12.761 -5.932 1.00 20.33 N ATOM 0 H ARG A 53 66.476 -17.125 -5.269 1.00 11.11 H new ATOM 0 HA ARG A 53 66.429 -15.340 -7.483 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.258 -17.620 -6.660 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.537 -16.665 -8.103 1.00 42.33 H new ATOM 0 HG2 ARG A 53 68.407 -15.533 -5.283 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.887 -15.935 -6.131 1.00 70.11 H new ATOM 0 HD2 ARG A 53 69.538 -13.567 -6.389 1.00 62.02 H new ATOM 0 HD3 ARG A 53 69.233 -14.308 -7.947 1.00 62.02 H new ATOM 0 HE ARG A 53 67.013 -13.631 -7.826 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.607 -13.193 -4.702 1.00 5.03 H new ATOM 0 HH12 ARG A 53 67.160 -12.540 -3.926 1.00 5.03 H new ATOM 0 HH21 ARG A 53 65.139 -12.880 -6.801 1.00 20.33 H new ATOM 0 HH22 ARG A 53 65.201 -12.363 -5.113 1.00 20.33 H new ATOM 794 N TRP A 54 66.023 -16.751 -9.553 1.00 75.02 N ATOM 795 CA TRP A 54 65.589 -17.523 -10.715 1.00 4.51 C ATOM 796 C TRP A 54 66.401 -18.813 -10.831 1.00 51.50 C ATOM 797 O TRP A 54 65.875 -19.858 -11.212 1.00 53.22 O ATOM 798 CB TRP A 54 65.744 -16.685 -11.988 1.00 14.02 C ATOM 799 CG TRP A 54 65.161 -17.328 -13.211 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.846 -17.868 -14.262 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.771 -17.498 -13.505 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.965 -18.362 -15.196 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.684 -18.146 -14.753 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.592 -17.164 -12.834 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.462 -18.467 -15.337 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.382 -17.483 -13.417 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.325 -18.129 -14.656 1.00 44.10 C ATOM 0 H TRP A 54 66.314 -15.797 -9.767 1.00 75.02 H new ATOM 0 HA TRP A 54 64.538 -17.785 -10.589 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.266 -15.717 -11.835 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.803 -16.494 -12.159 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.922 -17.902 -14.347 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.222 -18.814 -16.073 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.627 -16.665 -11.877 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.413 -18.965 -16.294 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.464 -17.229 -12.908 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.362 -18.366 -15.084 1.00 44.10 H new ATOM 818 N ASP A 55 67.680 -18.727 -10.471 1.00 34.41 N ATOM 819 CA ASP A 55 68.580 -19.880 -10.506 1.00 13.53 C ATOM 820 C ASP A 55 68.229 -20.887 -9.418 1.00 43.20 C ATOM 821 O ASP A 55 68.538 -22.073 -9.530 1.00 13.14 O ATOM 822 CB ASP A 55 70.033 -19.438 -10.315 1.00 34.21 C ATOM 823 CG ASP A 55 70.519 -18.508 -11.404 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.890 -18.998 -12.487 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.537 -17.279 -11.175 1.00 31.22 O ATOM 0 H ASP A 55 68.120 -17.865 -10.149 1.00 34.41 H new ATOM 0 HA ASP A 55 68.463 -20.350 -11.482 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.131 -18.940 -9.350 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.674 -20.319 -10.286 1.00 34.21 H new ATOM 830 N ASP A 56 67.590 -20.405 -8.360 1.00 74.00 N ATOM 831 CA ASP A 56 67.234 -21.253 -7.226 1.00 13.50 C ATOM 832 C ASP A 56 65.939 -22.001 -7.513 1.00 35.01 C ATOM 833 O ASP A 56 65.669 -23.060 -6.940 1.00 73.34 O ATOM 834 CB ASP A 56 67.096 -20.407 -5.957 1.00 10.43 C ATOM 835 CG ASP A 56 66.755 -21.233 -4.732 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.597 -22.046 -4.303 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.645 -21.063 -4.185 1.00 45.42 O ATOM 0 H ASP A 56 67.307 -19.430 -8.262 1.00 74.00 H new ATOM 0 HA ASP A 56 68.027 -21.984 -7.071 1.00 13.50 H new ATOM 0 HB2 ASP A 56 68.029 -19.872 -5.780 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.321 -19.656 -6.110 1.00 10.43 H new ATOM 842 N ILE A 57 65.140 -21.441 -8.408 1.00 54.25 N ATOM 843 CA ILE A 57 63.912 -22.082 -8.849 1.00 24.31 C ATOM 844 C ILE A 57 64.245 -23.292 -9.718 1.00 43.24 C ATOM 845 O ILE A 57 65.035 -23.181 -10.660 1.00 14.33 O ATOM 846 CB ILE A 57 63.023 -21.100 -9.649 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.690 -19.872 -8.800 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.744 -21.788 -10.115 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.881 -18.824 -9.534 1.00 14.05 C ATOM 0 H ILE A 57 65.322 -20.538 -8.845 1.00 54.25 H new ATOM 0 HA ILE A 57 63.360 -22.401 -7.965 1.00 24.31 H new ATOM 0 HB ILE A 57 63.577 -20.775 -10.530 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.137 -20.192 -7.917 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.619 -19.421 -8.449 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.133 -21.080 -10.675 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.998 -22.634 -10.754 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.185 -22.143 -9.249 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.684 -17.984 -8.868 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.440 -18.475 -10.402 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.936 -19.257 -9.861 1.00 14.05 H new ATOM 861 N PRO A 58 63.675 -24.467 -9.393 1.00 63.44 N ATOM 862 CA PRO A 58 63.867 -25.688 -10.181 1.00 3.44 C ATOM 863 C PRO A 58 63.564 -25.449 -11.655 1.00 51.00 C ATOM 864 O PRO A 58 62.538 -24.867 -11.996 1.00 45.01 O ATOM 865 CB PRO A 58 62.862 -26.685 -9.579 1.00 24.00 C ATOM 866 CG PRO A 58 61.978 -25.876 -8.687 1.00 73.11 C ATOM 867 CD PRO A 58 62.798 -24.702 -8.241 1.00 50.42 C ATOM 0 HA PRO A 58 64.896 -26.046 -10.141 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.284 -27.179 -10.360 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.374 -27.467 -9.019 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.084 -25.548 -9.218 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.643 -26.464 -7.833 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.177 -23.834 -8.021 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.366 -24.924 -7.338 1.00 50.42 H new ATOM 875 N ASP A 59 64.450 -25.905 -12.529 1.00 25.01 N ATOM 876 CA ASP A 59 64.315 -25.628 -13.957 1.00 41.44 C ATOM 877 C ASP A 59 63.161 -26.427 -14.564 1.00 34.41 C ATOM 878 O ASP A 59 62.738 -26.178 -15.693 1.00 72.22 O ATOM 879 CB ASP A 59 65.621 -25.928 -14.690 1.00 1.55 C ATOM 880 CG ASP A 59 65.654 -25.315 -16.075 1.00 42.44 C ATOM 881 OD1 ASP A 59 65.853 -24.083 -16.178 1.00 11.32 O ATOM 882 OD2 ASP A 59 65.495 -26.057 -17.062 1.00 4.21 O ATOM 0 H ASP A 59 65.265 -26.465 -12.280 1.00 25.01 H new ATOM 0 HA ASP A 59 64.090 -24.568 -14.074 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.459 -25.547 -14.106 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.752 -27.007 -14.769 1.00 1.55 H new ATOM 887 N ASP A 60 62.647 -27.377 -13.796 1.00 32.43 N ATOM 888 CA ASP A 60 61.495 -28.170 -14.213 1.00 54.13 C ATOM 889 C ASP A 60 60.200 -27.392 -13.963 1.00 24.24 C ATOM 890 O ASP A 60 59.139 -27.725 -14.498 1.00 12.35 O ATOM 891 CB ASP A 60 61.482 -29.498 -13.453 1.00 23.23 C ATOM 892 CG ASP A 60 60.324 -30.399 -13.836 1.00 23.22 C ATOM 893 OD1 ASP A 60 60.326 -30.935 -14.967 1.00 42.45 O ATOM 894 OD2 ASP A 60 59.419 -30.593 -13.002 1.00 70.35 O ATOM 0 H ASP A 60 63.011 -27.620 -12.875 1.00 32.43 H new ATOM 0 HA ASP A 60 61.568 -28.377 -15.281 1.00 54.13 H new ATOM 0 HB2 ASP A 60 62.419 -30.024 -13.639 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.437 -29.295 -12.383 1.00 23.23 H new ATOM 899 N TRP A 61 60.309 -26.339 -13.157 1.00 5.24 N ATOM 900 CA TRP A 61 59.173 -25.489 -12.822 1.00 42.43 C ATOM 901 C TRP A 61 58.659 -24.779 -14.070 1.00 33.21 C ATOM 902 O TRP A 61 59.435 -24.199 -14.831 1.00 22.24 O ATOM 903 CB TRP A 61 59.600 -24.468 -11.761 1.00 54.42 C ATOM 904 CG TRP A 61 58.524 -23.524 -11.318 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.534 -23.778 -10.416 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.346 -22.166 -11.738 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.755 -22.665 -10.248 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.229 -21.662 -11.050 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.024 -21.328 -12.630 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.775 -20.358 -11.222 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.569 -20.033 -12.801 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.454 -19.560 -12.098 1.00 25.01 C ATOM 0 H TRP A 61 61.185 -26.053 -12.720 1.00 5.24 H new ATOM 0 HA TRP A 61 58.366 -26.103 -12.423 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.971 -25.007 -10.889 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.433 -23.886 -12.154 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.386 -24.720 -9.908 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.950 -22.594 -9.625 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.886 -21.685 -13.174 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.916 -19.990 -10.682 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.082 -19.376 -13.488 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.124 -18.543 -12.252 1.00 25.01 H new ATOM 923 N SER A 62 57.355 -24.837 -14.283 1.00 54.20 N ATOM 924 CA SER A 62 56.749 -24.210 -15.443 1.00 3.30 C ATOM 925 C SER A 62 55.884 -23.029 -15.015 1.00 13.23 C ATOM 926 O SER A 62 55.457 -22.943 -13.861 1.00 63.43 O ATOM 927 CB SER A 62 55.908 -25.231 -16.213 1.00 63.43 C ATOM 928 OG SER A 62 56.549 -26.496 -16.224 1.00 64.32 O ATOM 0 H SER A 62 56.696 -25.313 -13.667 1.00 54.20 H new ATOM 0 HA SER A 62 57.540 -23.842 -16.096 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.923 -25.320 -15.754 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.753 -24.886 -17.235 1.00 63.43 H new ATOM 0 HG SER A 62 55.998 -27.138 -16.719 1.00 64.32 H new ATOM 934 N CYS A 63 55.640 -22.125 -15.953 1.00 24.15 N ATOM 935 CA CYS A 63 54.815 -20.947 -15.722 1.00 63.43 C ATOM 936 C CYS A 63 53.410 -21.348 -15.280 1.00 24.51 C ATOM 937 O CYS A 63 52.689 -22.002 -16.026 1.00 44.14 O ATOM 938 CB CYS A 63 54.750 -20.114 -17.009 1.00 63.12 C ATOM 939 SG CYS A 63 53.723 -18.629 -16.899 1.00 13.20 S ATOM 0 H CYS A 63 56.011 -22.188 -16.901 1.00 24.15 H new ATOM 0 HA CYS A 63 55.261 -20.352 -14.925 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.762 -19.819 -17.286 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.370 -20.743 -17.814 1.00 63.12 H new ATOM 0 HG CYS A 63 54.272 -17.781 -16.081 1.00 13.20 H new ATOM 944 N PRO A 64 53.008 -20.958 -14.056 1.00 12.23 N ATOM 945 CA PRO A 64 51.682 -21.283 -13.501 1.00 52.51 C ATOM 946 C PRO A 64 50.527 -20.756 -14.355 1.00 52.22 C ATOM 947 O PRO A 64 49.369 -21.123 -14.149 1.00 21.33 O ATOM 948 CB PRO A 64 51.679 -20.584 -12.137 1.00 2.43 C ATOM 949 CG PRO A 64 53.114 -20.389 -11.798 1.00 63.34 C ATOM 950 CD PRO A 64 53.826 -20.190 -13.105 1.00 75.23 C ATOM 0 HA PRO A 64 51.531 -22.361 -13.454 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.152 -19.631 -12.184 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.175 -21.190 -11.384 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.247 -19.526 -11.146 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.510 -21.254 -11.266 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.878 -19.136 -13.378 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.851 -20.560 -13.065 1.00 75.23 H new ATOM 958 N ASP A 65 50.855 -19.892 -15.307 1.00 62.43 N ATOM 959 CA ASP A 65 49.862 -19.251 -16.160 1.00 4.14 C ATOM 960 C ASP A 65 49.509 -20.109 -17.376 1.00 73.14 C ATOM 961 O ASP A 65 48.330 -20.318 -17.674 1.00 75.43 O ATOM 962 CB ASP A 65 50.381 -17.881 -16.613 1.00 75.11 C ATOM 963 CG ASP A 65 49.500 -17.230 -17.660 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.520 -16.552 -17.286 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.800 -17.375 -18.862 1.00 12.44 O ATOM 0 H ASP A 65 51.816 -19.616 -15.510 1.00 62.43 H new ATOM 0 HA ASP A 65 48.950 -19.127 -15.576 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.455 -17.222 -15.748 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.388 -17.995 -17.014 1.00 75.11 H new ATOM 970 N CYS A 66 50.521 -20.613 -18.070 1.00 24.23 N ATOM 971 CA CYS A 66 50.294 -21.325 -19.325 1.00 44.35 C ATOM 972 C CYS A 66 51.097 -22.625 -19.410 1.00 61.50 C ATOM 973 O CYS A 66 51.059 -23.320 -20.425 1.00 33.10 O ATOM 974 CB CYS A 66 50.651 -20.412 -20.499 1.00 11.53 C ATOM 975 SG CYS A 66 52.281 -19.636 -20.354 1.00 2.42 S ATOM 0 H CYS A 66 51.499 -20.544 -17.790 1.00 24.23 H new ATOM 0 HA CYS A 66 49.239 -21.596 -19.367 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.616 -20.992 -21.421 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.894 -19.632 -20.584 1.00 11.53 H new ATOM 0 HG CYS A 66 52.139 -18.354 -20.196 1.00 2.42 H new ATOM 980 N GLY A 67 51.823 -22.948 -18.349 1.00 11.35 N ATOM 981 CA GLY A 67 52.630 -24.160 -18.329 1.00 2.21 C ATOM 982 C GLY A 67 53.854 -24.074 -19.221 1.00 45.15 C ATOM 983 O GLY A 67 54.434 -25.094 -19.585 1.00 12.15 O ATOM 0 H GLY A 67 51.870 -22.392 -17.495 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.947 -24.362 -17.306 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.016 -25.004 -18.645 1.00 2.21 H new ATOM 987 N ALA A 68 54.242 -22.857 -19.580 1.00 3.21 N ATOM 988 CA ALA A 68 55.444 -22.643 -20.377 1.00 51.33 C ATOM 989 C ALA A 68 56.686 -22.889 -19.532 1.00 24.02 C ATOM 990 O ALA A 68 56.659 -22.701 -18.318 1.00 24.41 O ATOM 991 CB ALA A 68 55.457 -21.230 -20.937 1.00 22.41 C ATOM 0 H ALA A 68 53.742 -22.003 -19.332 1.00 3.21 H new ATOM 0 HA ALA A 68 55.444 -23.348 -21.209 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.359 -21.082 -21.530 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.580 -21.080 -21.567 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.441 -20.513 -20.116 1.00 22.41 H new ATOM 997 N ALA A 69 57.770 -23.295 -20.170 1.00 63.43 N ATOM 998 CA ALA A 69 58.990 -23.615 -19.449 1.00 14.25 C ATOM 999 C ALA A 69 59.747 -22.345 -19.084 1.00 45.14 C ATOM 1000 O ALA A 69 59.428 -21.261 -19.571 1.00 64.45 O ATOM 1001 CB ALA A 69 59.865 -24.544 -20.278 1.00 43.25 C ATOM 0 H ALA A 69 57.831 -23.411 -21.182 1.00 63.43 H new ATOM 0 HA ALA A 69 58.722 -24.127 -18.525 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.776 -24.775 -19.725 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.322 -25.466 -20.485 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.125 -24.057 -21.218 1.00 43.25 H new ATOM 1007 N LYS A 70 60.752 -22.481 -18.228 1.00 44.04 N ATOM 1008 CA LYS A 70 61.575 -21.346 -17.821 1.00 2.40 C ATOM 1009 C LYS A 70 62.301 -20.740 -19.021 1.00 33.52 C ATOM 1010 O LYS A 70 62.567 -19.536 -19.065 1.00 53.10 O ATOM 1011 CB LYS A 70 62.574 -21.777 -16.745 1.00 2.20 C ATOM 1012 CG LYS A 70 61.923 -22.031 -15.392 1.00 4.42 C ATOM 1013 CD LYS A 70 62.874 -22.678 -14.389 1.00 65.43 C ATOM 1014 CE LYS A 70 64.045 -21.778 -14.005 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.124 -21.780 -15.031 1.00 61.24 N ATOM 0 H LYS A 70 61.018 -23.368 -17.800 1.00 44.04 H new ATOM 0 HA LYS A 70 60.922 -20.580 -17.403 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.083 -22.684 -17.072 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.336 -21.006 -16.636 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.561 -21.087 -14.985 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.053 -22.674 -15.528 1.00 4.42 H new ATOM 0 HD2 LYS A 70 62.318 -22.943 -13.490 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.260 -23.606 -14.811 1.00 65.43 H new ATOM 0 HE2 LYS A 70 63.685 -20.759 -13.863 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.455 -22.108 -13.050 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.051 -21.786 -14.560 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.034 -22.627 -15.628 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.042 -20.929 -15.623 1.00 61.24 H new ATOM 1029 N SER A 71 62.585 -21.576 -20.014 1.00 24.44 N ATOM 1030 CA SER A 71 63.219 -21.125 -21.246 1.00 74.02 C ATOM 1031 C SER A 71 62.297 -20.183 -22.027 1.00 74.23 C ATOM 1032 O SER A 71 62.711 -19.543 -22.992 1.00 30.43 O ATOM 1033 CB SER A 71 63.593 -22.334 -22.103 1.00 35.23 C ATOM 1034 OG SER A 71 64.441 -23.213 -21.382 1.00 35.24 O ATOM 0 H SER A 71 62.384 -22.576 -19.988 1.00 24.44 H new ATOM 0 HA SER A 71 64.122 -20.571 -20.990 1.00 74.02 H new ATOM 0 HB2 SER A 71 62.690 -22.862 -22.411 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.094 -22.001 -23.012 1.00 35.23 H new ATOM 0 HG SER A 71 64.669 -23.982 -21.945 1.00 35.24 H new ATOM 1040 N ASP A 72 61.042 -20.101 -21.603 1.00 22.41 N ATOM 1041 CA ASP A 72 60.082 -19.200 -22.220 1.00 53.55 C ATOM 1042 C ASP A 72 59.974 -17.906 -21.424 1.00 72.53 C ATOM 1043 O ASP A 72 59.019 -17.149 -21.585 1.00 51.33 O ATOM 1044 CB ASP A 72 58.701 -19.853 -22.328 1.00 31.01 C ATOM 1045 CG ASP A 72 58.661 -20.976 -23.341 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.649 -20.686 -24.557 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.634 -22.154 -22.933 1.00 14.24 O ATOM 0 H ASP A 72 60.666 -20.651 -20.831 1.00 22.41 H new ATOM 0 HA ASP A 72 60.440 -18.975 -23.225 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.410 -20.240 -21.352 1.00 31.01 H new ATOM 0 HB3 ASP A 72 57.967 -19.096 -22.603 1.00 31.01 H new ATOM 1052 N PHE A 73 60.941 -17.663 -20.551 1.00 54.42 N ATOM 1053 CA PHE A 73 60.985 -16.414 -19.805 1.00 32.03 C ATOM 1054 C PHE A 73 62.127 -15.523 -20.286 1.00 41.43 C ATOM 1055 O PHE A 73 63.172 -16.009 -20.722 1.00 33.41 O ATOM 1056 CB PHE A 73 61.132 -16.681 -18.305 1.00 12.00 C ATOM 1057 CG PHE A 73 59.869 -17.158 -17.642 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.468 -18.480 -17.748 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.085 -16.282 -16.909 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.310 -18.919 -17.135 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.927 -16.716 -16.293 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.538 -18.036 -16.407 1.00 32.20 C ATOM 0 H PHE A 73 61.701 -18.310 -20.343 1.00 54.42 H new ATOM 0 HA PHE A 73 60.043 -15.895 -19.981 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.913 -17.426 -18.154 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.465 -15.766 -17.814 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.068 -19.176 -18.316 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.383 -15.248 -16.818 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.009 -19.952 -17.225 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.326 -16.023 -15.723 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.632 -18.377 -15.928 1.00 32.20 H new ATOM 1072 N GLU A 74 61.909 -14.218 -20.202 1.00 11.30 N ATOM 1073 CA GLU A 74 62.920 -13.233 -20.550 1.00 71.52 C ATOM 1074 C GLU A 74 63.363 -12.491 -19.295 1.00 63.42 C ATOM 1075 O GLU A 74 62.573 -12.302 -18.365 1.00 24.10 O ATOM 1076 CB GLU A 74 62.368 -12.248 -21.592 1.00 55.11 C ATOM 1077 CG GLU A 74 61.056 -11.592 -21.180 1.00 15.31 C ATOM 1078 CD GLU A 74 60.513 -10.632 -22.221 1.00 10.03 C ATOM 1079 OE1 GLU A 74 60.258 -11.061 -23.367 1.00 33.13 O ATOM 1080 OE2 GLU A 74 60.311 -9.444 -21.894 1.00 22.12 O ATOM 0 H GLU A 74 61.026 -13.814 -19.891 1.00 11.30 H new ATOM 0 HA GLU A 74 63.781 -13.741 -20.984 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.111 -11.471 -21.774 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.220 -12.775 -22.535 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.314 -12.368 -20.989 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.205 -11.055 -20.243 1.00 15.31 H new ATOM 1087 N MET A 75 64.623 -12.088 -19.264 1.00 1.12 N ATOM 1088 CA MET A 75 65.186 -11.432 -18.092 1.00 0.12 C ATOM 1089 C MET A 75 65.038 -9.921 -18.203 1.00 41.40 C ATOM 1090 O MET A 75 65.548 -9.302 -19.136 1.00 64.03 O ATOM 1091 CB MET A 75 66.665 -11.800 -17.923 1.00 65.23 C ATOM 1092 CG MET A 75 67.305 -11.203 -16.675 1.00 22.24 C ATOM 1093 SD MET A 75 69.067 -11.583 -16.539 1.00 62.41 S ATOM 1094 CE MET A 75 69.017 -13.369 -16.427 1.00 41.21 C ATOM 0 H MET A 75 65.277 -12.203 -20.038 1.00 1.12 H new ATOM 0 HA MET A 75 64.637 -11.777 -17.216 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.758 -12.885 -17.885 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.217 -11.463 -18.800 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.171 -10.121 -16.686 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.788 -11.579 -15.792 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.974 -13.737 -16.058 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.224 -13.669 -15.741 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.822 -13.790 -17.413 1.00 41.21 H new ATOM 1104 N VAL A 76 64.334 -9.335 -17.254 1.00 52.24 N ATOM 1105 CA VAL A 76 64.119 -7.901 -17.240 1.00 50.44 C ATOM 1106 C VAL A 76 65.007 -7.239 -16.191 1.00 33.40 C ATOM 1107 O VAL A 76 64.872 -7.496 -14.988 1.00 12.34 O ATOM 1108 CB VAL A 76 62.643 -7.552 -16.961 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.414 -6.049 -17.030 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.728 -8.278 -17.936 1.00 70.33 C ATOM 0 H VAL A 76 63.899 -9.834 -16.478 1.00 52.24 H new ATOM 0 HA VAL A 76 64.380 -7.523 -18.228 1.00 50.44 H new ATOM 0 HB VAL A 76 62.404 -7.883 -15.950 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.365 -5.831 -16.829 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.037 -5.552 -16.286 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.676 -5.686 -18.024 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.691 -8.019 -17.723 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.974 -7.982 -18.956 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.863 -9.354 -17.829 1.00 70.33 H new