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 -175:sc= 0.174 USER MOD Set 1.2: A 33 CYS SG : rot 141:sc= 1.22 USER MOD Set 1.3: A 63 CYS SG : rot 72:sc= 1.18 USER MOD Set 1.4: A 66 CYS SG : rot -51:sc= 1.49 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0173 (180deg=-0.169) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.128 F(o=-1.6!,f=-0.13) USER MOD Single : A 37 TYR OH : rot -163:sc= -0.188 USER MOD Single : A 52 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 62 SER OG : rot 180:sc= 0.016 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.41 (180deg=1.08) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.194 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.917 -8.045 -7.395 1.00 42.41 N ATOM 351 CA TYR A 25 65.962 -9.037 -7.860 1.00 12.14 C ATOM 352 C TYR A 25 65.388 -8.594 -9.196 1.00 32.30 C ATOM 353 O TYR A 25 64.912 -7.466 -9.321 1.00 32.03 O ATOM 354 CB TYR A 25 64.840 -9.199 -6.836 1.00 42.40 C ATOM 355 CG TYR A 25 65.297 -9.782 -5.521 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.696 -11.107 -5.431 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.319 -9.009 -4.370 1.00 5.11 C ATOM 358 CE1 TYR A 25 66.110 -11.647 -4.230 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.734 -9.541 -3.164 1.00 35.34 C ATOM 360 CZ TYR A 25 66.126 -10.859 -3.099 1.00 72.10 C ATOM 361 OH TYR A 25 66.536 -11.388 -1.897 1.00 54.31 O ATOM 0 HA TYR A 25 66.465 -9.996 -7.983 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.384 -8.226 -6.653 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.065 -9.840 -7.257 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.683 -11.727 -6.315 1.00 12.22 H new ATOM 0 HD2 TYR A 25 65.007 -7.976 -4.417 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.419 -12.680 -4.177 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.751 -8.926 -2.277 1.00 35.34 H new ATOM 0 HH TYR A 25 66.488 -10.698 -1.203 1.00 54.31 H new ATOM 371 N LYS A 26 65.431 -9.469 -10.187 1.00 31.42 N ATOM 372 CA LYS A 26 65.029 -9.090 -11.533 1.00 10.43 C ATOM 373 C LYS A 26 63.616 -9.551 -11.862 1.00 64.22 C ATOM 374 O LYS A 26 62.976 -10.290 -11.093 1.00 33.23 O ATOM 375 CB LYS A 26 66.010 -9.635 -12.581 1.00 44.31 C ATOM 376 CG LYS A 26 67.360 -8.929 -12.599 1.00 40.14 C ATOM 377 CD LYS A 26 68.257 -9.379 -11.457 1.00 14.02 C ATOM 378 CE LYS A 26 69.537 -8.559 -11.393 1.00 14.41 C ATOM 379 NZ LYS A 26 70.269 -8.557 -12.686 1.00 2.34 N ATOM 0 H LYS A 26 65.737 -10.437 -10.088 1.00 31.42 H new ATOM 0 HA LYS A 26 65.044 -8.001 -11.564 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.170 -10.697 -12.395 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.555 -9.550 -13.568 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.858 -9.124 -13.549 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.206 -7.852 -12.535 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.719 -9.288 -10.514 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.505 -10.433 -11.582 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.296 -7.534 -11.113 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.184 -8.959 -10.612 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.222 -8.165 -12.545 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.345 -9.531 -13.043 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.753 -7.974 -13.376 1.00 2.34 H new ATOM 393 N LEU A 27 63.137 -9.083 -13.010 1.00 10.35 N ATOM 394 CA LEU A 27 61.837 -9.465 -13.526 1.00 63.42 C ATOM 395 C LEU A 27 62.014 -10.488 -14.638 1.00 12.52 C ATOM 396 O LEU A 27 62.939 -10.389 -15.441 1.00 23.11 O ATOM 397 CB LEU A 27 61.102 -8.238 -14.077 1.00 14.35 C ATOM 398 CG LEU A 27 60.960 -7.060 -13.112 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.385 -5.854 -13.834 1.00 23.04 C ATOM 400 CD2 LEU A 27 60.081 -7.430 -11.932 1.00 64.32 C ATOM 0 H LEU A 27 63.643 -8.428 -13.606 1.00 10.35 H new ATOM 0 HA LEU A 27 61.249 -9.897 -12.716 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.627 -7.893 -14.968 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.106 -8.546 -14.394 1.00 14.35 H new ATOM 0 HG LEU A 27 61.951 -6.808 -12.735 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.289 -5.023 -13.135 1.00 23.04 H new ATOM 0 HD12 LEU A 27 61.049 -5.568 -14.650 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.403 -6.105 -14.236 1.00 23.04 H new ATOM 0 HD21 LEU A 27 59.995 -6.576 -11.260 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.091 -7.711 -12.290 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.525 -8.270 -11.397 1.00 64.32 H new ATOM 412 N PHE A 28 61.146 -11.475 -14.676 1.00 1.00 N ATOM 413 CA PHE A 28 61.162 -12.467 -15.737 1.00 50.25 C ATOM 414 C PHE A 28 59.767 -12.621 -16.319 1.00 32.34 C ATOM 415 O PHE A 28 58.835 -13.021 -15.625 1.00 14.13 O ATOM 416 CB PHE A 28 61.686 -13.811 -15.219 1.00 13.43 C ATOM 417 CG PHE A 28 63.157 -13.799 -14.904 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.617 -13.377 -13.665 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.080 -14.205 -15.853 1.00 54.21 C ATOM 420 CE1 PHE A 28 64.970 -13.360 -13.383 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.434 -14.190 -15.576 1.00 45.12 C ATOM 422 CZ PHE A 28 65.878 -13.766 -14.339 1.00 30.44 C ATOM 0 H PHE A 28 60.414 -11.615 -13.980 1.00 1.00 H new ATOM 0 HA PHE A 28 61.836 -12.128 -16.524 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.132 -14.087 -14.321 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.488 -14.581 -15.965 1.00 13.43 H new ATOM 0 HD1 PHE A 28 62.910 -13.058 -12.913 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.738 -14.538 -16.822 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.316 -13.029 -12.415 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.143 -14.509 -16.325 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.935 -13.752 -14.120 1.00 30.44 H new ATOM 432 N ARG A 29 59.618 -12.285 -17.588 1.00 72.21 N ATOM 433 CA ARG A 29 58.308 -12.298 -18.216 1.00 15.21 C ATOM 434 C ARG A 29 58.178 -13.446 -19.202 1.00 74.30 C ATOM 435 O ARG A 29 59.007 -13.606 -20.093 1.00 12.12 O ATOM 436 CB ARG A 29 58.039 -10.969 -18.918 1.00 53.45 C ATOM 437 CG ARG A 29 56.712 -10.936 -19.661 1.00 41.44 C ATOM 438 CD ARG A 29 56.423 -9.563 -20.240 1.00 1.41 C ATOM 439 NE ARG A 29 57.488 -9.109 -21.131 1.00 42.11 N ATOM 440 CZ ARG A 29 57.865 -7.841 -21.257 1.00 34.34 C ATOM 441 NH1 ARG A 29 57.294 -6.886 -20.524 1.00 14.43 N ATOM 442 NH2 ARG A 29 58.829 -7.531 -22.113 1.00 21.35 N ATOM 0 H ARG A 29 60.382 -12.001 -18.201 1.00 72.21 H new ATOM 0 HA ARG A 29 57.566 -12.441 -17.431 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.054 -10.167 -18.180 1.00 53.45 H new ATOM 0 HB3 ARG A 29 58.846 -10.769 -19.622 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.727 -11.673 -20.464 1.00 41.44 H new ATOM 0 HG3 ARG A 29 55.908 -11.220 -18.982 1.00 41.44 H new ATOM 0 HD2 ARG A 29 55.480 -9.591 -20.787 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.299 -8.846 -19.428 1.00 1.41 H new ATOM 0 HE ARG A 29 57.973 -9.810 -21.692 1.00 42.11 H new ATOM 0 HH11 ARG A 29 56.560 -7.125 -19.858 1.00 14.43 H new ATOM 0 HH12 ARG A 29 57.591 -5.916 -20.629 1.00 14.43 H new ATOM 0 HH21 ARG A 29 59.274 -8.263 -22.667 1.00 21.35 H new ATOM 0 HH22 ARG A 29 59.126 -6.561 -22.217 1.00 21.35 H new ATOM 456 N CYS A 30 57.136 -14.245 -19.027 1.00 53.14 N ATOM 457 CA CYS A 30 56.843 -15.336 -19.939 1.00 13.35 C ATOM 458 C CYS A 30 56.445 -14.783 -21.302 1.00 23.11 C ATOM 459 O CYS A 30 55.480 -14.033 -21.415 1.00 13.32 O ATOM 460 CB CYS A 30 55.711 -16.196 -19.375 1.00 24.13 C ATOM 461 SG CYS A 30 55.364 -17.689 -20.333 1.00 1.33 S ATOM 0 H CYS A 30 56.476 -14.155 -18.255 1.00 53.14 H new ATOM 0 HA CYS A 30 57.735 -15.952 -20.053 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.963 -16.484 -18.354 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.804 -15.593 -19.322 1.00 24.13 H new ATOM 0 HG CYS A 30 54.320 -18.287 -19.841 1.00 1.33 H new ATOM 466 N ILE A 31 57.179 -15.172 -22.334 1.00 13.20 N ATOM 467 CA ILE A 31 56.941 -14.660 -23.677 1.00 62.43 C ATOM 468 C ILE A 31 55.829 -15.445 -24.363 1.00 64.12 C ATOM 469 O ILE A 31 55.415 -15.119 -25.472 1.00 21.10 O ATOM 470 CB ILE A 31 58.217 -14.709 -24.544 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.687 -16.156 -24.733 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.315 -13.862 -23.912 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.933 -16.292 -25.578 1.00 74.30 C ATOM 0 H ILE A 31 57.946 -15.841 -22.268 1.00 13.20 H new ATOM 0 HA ILE A 31 56.639 -13.618 -23.573 1.00 62.43 H new ATOM 0 HB ILE A 31 57.986 -14.298 -25.527 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.874 -16.597 -23.754 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.884 -16.731 -25.193 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.210 -13.904 -24.533 1.00 12.21 H new ATOM 0 HG22 ILE A 31 58.977 -12.829 -23.833 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.544 -14.246 -22.918 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.201 -17.345 -25.664 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.746 -15.882 -26.571 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.752 -15.747 -25.109 1.00 74.30 H new ATOM 485 N GLN A 32 55.354 -16.488 -23.691 1.00 51.33 N ATOM 486 CA GLN A 32 54.259 -17.292 -24.213 1.00 23.44 C ATOM 487 C GLN A 32 52.924 -16.605 -23.961 1.00 13.04 C ATOM 488 O GLN A 32 51.956 -16.830 -24.682 1.00 35.13 O ATOM 489 CB GLN A 32 54.247 -18.679 -23.572 1.00 55.24 C ATOM 490 CG GLN A 32 55.473 -19.519 -23.882 1.00 33.15 C ATOM 491 CD GLN A 32 55.667 -19.739 -25.365 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.449 -18.878 -25.988 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 55.130 -20.685 -25.941 1.00 22.30 N flip ATOM 0 H GLN A 32 55.710 -16.795 -22.786 1.00 51.33 H new ATOM 0 HA GLN A 32 54.410 -17.401 -25.287 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.161 -18.567 -22.491 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.359 -19.215 -23.908 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.357 -19.030 -23.472 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.383 -20.484 -23.384 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.533 -21.327 -25.420 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.282 -20.827 -26.939 1.00 22.30 H new ATOM 502 N CYS A 33 52.878 -15.761 -22.944 1.00 2.20 N ATOM 503 CA CYS A 33 51.635 -15.095 -22.585 1.00 22.24 C ATOM 504 C CYS A 33 51.891 -13.669 -22.124 1.00 72.42 C ATOM 505 O CYS A 33 51.369 -12.717 -22.704 1.00 22.31 O ATOM 506 CB CYS A 33 50.888 -15.892 -21.506 1.00 41.11 C ATOM 507 SG CYS A 33 51.873 -16.274 -20.034 1.00 25.30 S ATOM 0 H CYS A 33 53.677 -15.522 -22.357 1.00 2.20 H new ATOM 0 HA CYS A 33 51.007 -15.049 -23.475 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.007 -15.328 -21.201 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.534 -16.826 -21.942 1.00 41.11 H new ATOM 0 HG CYS A 33 51.129 -16.163 -18.973 1.00 25.30 H new ATOM 512 N GLY A 34 52.732 -13.520 -21.112 1.00 75.22 N ATOM 513 CA GLY A 34 52.990 -12.212 -20.552 1.00 61.15 C ATOM 514 C GLY A 34 53.093 -12.230 -19.038 1.00 41.20 C ATOM 515 O GLY A 34 53.212 -11.178 -18.414 1.00 65.41 O ATOM 0 H GLY A 34 53.241 -14.284 -20.668 1.00 75.22 H new ATOM 0 HA2 GLY A 34 53.917 -11.819 -20.970 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.193 -11.531 -20.849 1.00 61.15 H new ATOM 519 N PHE A 35 53.047 -13.422 -18.444 1.00 44.34 N ATOM 520 CA PHE A 35 53.183 -13.572 -16.999 1.00 63.14 C ATOM 521 C PHE A 35 54.529 -13.028 -16.532 1.00 62.11 C ATOM 522 O PHE A 35 55.579 -13.573 -16.875 1.00 22.11 O ATOM 523 CB PHE A 35 53.048 -15.049 -16.617 1.00 51.10 C ATOM 524 CG PHE A 35 53.217 -15.335 -15.148 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.153 -15.186 -14.274 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.436 -15.769 -14.645 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.299 -15.466 -12.928 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.587 -16.048 -13.299 1.00 63.43 C ATOM 529 CZ PHE A 35 53.518 -15.895 -12.441 1.00 22.21 C ATOM 0 H PHE A 35 52.916 -14.300 -18.946 1.00 44.34 H new ATOM 0 HA PHE A 35 52.393 -13.003 -16.509 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.067 -15.404 -16.932 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.789 -15.624 -17.173 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.198 -14.847 -14.648 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.276 -15.890 -15.313 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.460 -15.349 -12.258 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.541 -16.385 -12.920 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.634 -16.111 -11.389 1.00 22.21 H new ATOM 539 N GLU A 36 54.489 -11.948 -15.768 1.00 21.30 N ATOM 540 CA GLU A 36 55.695 -11.318 -15.270 1.00 35.33 C ATOM 541 C GLU A 36 55.977 -11.739 -13.836 1.00 44.03 C ATOM 542 O GLU A 36 55.182 -11.490 -12.930 1.00 52.25 O ATOM 543 CB GLU A 36 55.566 -9.801 -15.370 1.00 30.54 C ATOM 544 CG GLU A 36 55.626 -9.297 -16.798 1.00 13.22 C ATOM 545 CD GLU A 36 55.347 -7.816 -16.919 1.00 51.45 C ATOM 546 OE1 GLU A 36 56.188 -7.011 -16.475 1.00 54.43 O ATOM 547 OE2 GLU A 36 54.287 -7.450 -17.466 1.00 35.32 O ATOM 0 H GLU A 36 53.625 -11.489 -15.479 1.00 21.30 H new ATOM 0 HA GLU A 36 56.536 -11.643 -15.883 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.623 -9.491 -14.920 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.364 -9.335 -14.792 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.612 -9.509 -17.210 1.00 13.22 H new ATOM 0 HG3 GLU A 36 54.903 -9.847 -17.401 1.00 13.22 H new ATOM 554 N TYR A 37 57.105 -12.393 -13.649 1.00 71.04 N ATOM 555 CA TYR A 37 57.536 -12.831 -12.334 1.00 2.31 C ATOM 556 C TYR A 37 58.659 -11.939 -11.822 1.00 2.10 C ATOM 557 O TYR A 37 59.623 -11.677 -12.534 1.00 33.24 O ATOM 558 CB TYR A 37 58.007 -14.289 -12.388 1.00 64.22 C ATOM 559 CG TYR A 37 58.746 -14.737 -11.146 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.063 -15.090 -9.990 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.135 -14.799 -11.133 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.745 -15.491 -8.856 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.822 -15.198 -10.004 1.00 42.11 C ATOM 564 CZ TYR A 37 60.124 -15.544 -8.869 1.00 3.33 C ATOM 565 OH TYR A 37 60.803 -15.942 -7.742 1.00 35.44 O ATOM 0 H TYR A 37 57.749 -12.636 -14.402 1.00 71.04 H new ATOM 0 HA TYR A 37 56.690 -12.759 -11.650 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.142 -14.935 -12.538 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.657 -14.420 -13.253 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.984 -15.051 -9.976 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.686 -14.530 -12.022 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.201 -15.762 -7.963 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.901 -15.238 -10.011 1.00 42.11 H new ATOM 0 HH TYR A 37 61.742 -15.671 -7.813 1.00 35.44 H new ATOM 575 N ASP A 38 58.525 -11.471 -10.596 1.00 70.50 N ATOM 576 CA ASP A 38 59.574 -10.696 -9.946 1.00 10.30 C ATOM 577 C ASP A 38 60.205 -11.522 -8.834 1.00 4.53 C ATOM 578 O ASP A 38 59.489 -12.124 -8.031 1.00 73.13 O ATOM 579 CB ASP A 38 58.995 -9.395 -9.384 1.00 64.12 C ATOM 580 CG ASP A 38 59.915 -8.717 -8.387 1.00 45.13 C ATOM 581 OD1 ASP A 38 61.123 -8.579 -8.666 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.432 -8.349 -7.303 1.00 51.42 O ATOM 0 H ASP A 38 57.694 -11.614 -10.023 1.00 70.50 H new ATOM 0 HA ASP A 38 60.342 -10.444 -10.678 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.792 -8.709 -10.207 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.040 -9.607 -8.903 1.00 64.12 H new ATOM 587 N GLU A 39 61.534 -11.567 -8.792 1.00 21.24 N ATOM 588 CA GLU A 39 62.229 -12.362 -7.778 1.00 73.35 C ATOM 589 C GLU A 39 61.979 -11.812 -6.364 1.00 61.05 C ATOM 590 O GLU A 39 62.060 -12.550 -5.375 1.00 14.23 O ATOM 591 CB GLU A 39 63.734 -12.414 -8.058 1.00 3.15 C ATOM 592 CG GLU A 39 64.118 -13.139 -9.335 1.00 2.32 C ATOM 593 CD GLU A 39 65.620 -13.159 -9.546 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.190 -12.092 -9.867 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.238 -14.234 -9.371 1.00 42.02 O ATOM 0 H GLU A 39 62.147 -11.070 -9.438 1.00 21.24 H new ATOM 0 HA GLU A 39 61.826 -13.373 -7.830 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.116 -11.394 -8.107 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.229 -12.900 -7.218 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.743 -14.162 -9.298 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.639 -12.654 -10.186 1.00 2.32 H new ATOM 602 N ALA A 40 61.667 -10.521 -6.268 1.00 41.21 N ATOM 603 CA ALA A 40 61.435 -9.885 -4.975 1.00 41.44 C ATOM 604 C ALA A 40 60.016 -10.144 -4.475 1.00 73.14 C ATOM 605 O ALA A 40 59.788 -10.284 -3.275 1.00 63.31 O ATOM 606 CB ALA A 40 61.706 -8.390 -5.059 1.00 64.54 C ATOM 0 H ALA A 40 61.569 -9.897 -7.069 1.00 41.21 H new ATOM 0 HA ALA A 40 62.127 -10.326 -4.258 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.528 -7.933 -4.086 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.742 -8.224 -5.354 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.042 -7.941 -5.798 1.00 64.54 H new ATOM 612 N LEU A 41 59.065 -10.187 -5.393 1.00 35.01 N ATOM 613 CA LEU A 41 57.679 -10.470 -5.049 1.00 43.03 C ATOM 614 C LEU A 41 57.490 -11.972 -4.842 1.00 41.24 C ATOM 615 O LEU A 41 56.945 -12.407 -3.824 1.00 5.12 O ATOM 616 CB LEU A 41 56.747 -9.943 -6.157 1.00 54.42 C ATOM 617 CG LEU A 41 55.270 -9.735 -5.774 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.544 -11.061 -5.601 1.00 54.05 C ATOM 619 CD2 LEU A 41 55.162 -8.899 -4.509 1.00 50.10 C ATOM 0 H LEU A 41 59.227 -10.029 -6.387 1.00 35.01 H new ATOM 0 HA LEU A 41 57.425 -9.963 -4.118 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.144 -8.992 -6.513 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.787 -10.639 -6.995 1.00 54.42 H new ATOM 0 HG LEU A 41 54.788 -9.199 -6.592 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.505 -10.874 -5.331 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.581 -11.621 -6.536 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.025 -11.639 -4.812 1.00 54.05 H new ATOM 0 HD21 LEU A 41 54.112 -8.761 -4.252 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.672 -9.409 -3.691 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.625 -7.926 -4.675 1.00 50.10 H new ATOM 631 N GLY A 42 57.958 -12.755 -5.803 1.00 60.35 N ATOM 632 CA GLY A 42 57.799 -14.190 -5.732 1.00 65.42 C ATOM 633 C GLY A 42 56.468 -14.638 -6.300 1.00 1.31 C ATOM 634 O GLY A 42 55.832 -13.903 -7.054 1.00 22.32 O ATOM 0 H GLY A 42 58.447 -12.419 -6.633 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.609 -14.673 -6.279 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.879 -14.513 -4.694 1.00 65.42 H new ATOM 638 N TRP A 43 56.047 -15.839 -5.935 1.00 34.01 N ATOM 639 CA TRP A 43 54.765 -16.370 -6.370 1.00 72.13 C ATOM 640 C TRP A 43 54.260 -17.380 -5.344 1.00 1.53 C ATOM 641 O TRP A 43 54.507 -18.586 -5.461 1.00 0.54 O ATOM 642 CB TRP A 43 54.873 -17.010 -7.759 1.00 22.21 C ATOM 643 CG TRP A 43 53.540 -17.298 -8.380 1.00 61.44 C ATOM 644 CD1 TRP A 43 52.993 -18.523 -8.620 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.584 -16.334 -8.834 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.753 -18.382 -9.198 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.480 -17.047 -9.339 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.554 -14.935 -8.863 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.361 -16.408 -9.865 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.439 -14.302 -9.385 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.357 -15.040 -9.879 1.00 72.01 C ATOM 0 H TRP A 43 56.579 -16.468 -5.334 1.00 34.01 H new ATOM 0 HA TRP A 43 54.052 -15.549 -6.445 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.437 -16.347 -8.415 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.439 -17.938 -7.682 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.465 -19.467 -8.390 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.137 -19.146 -9.476 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.386 -14.360 -8.485 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.524 -16.973 -10.249 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.403 -13.223 -9.411 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.501 -14.518 -10.280 1.00 72.01 H new ATOM 662 N PRO A 44 53.555 -16.886 -4.318 1.00 45.41 N ATOM 663 CA PRO A 44 53.129 -17.697 -3.174 1.00 41.22 C ATOM 664 C PRO A 44 52.137 -18.785 -3.557 1.00 43.31 C ATOM 665 O PRO A 44 52.018 -19.797 -2.869 1.00 52.04 O ATOM 666 CB PRO A 44 52.471 -16.694 -2.224 1.00 1.41 C ATOM 667 CG PRO A 44 52.838 -15.342 -2.732 1.00 43.31 C ATOM 668 CD PRO A 44 53.116 -15.489 -4.196 1.00 12.02 C ATOM 0 HA PRO A 44 53.975 -18.225 -2.734 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.389 -16.824 -2.208 1.00 1.41 H new ATOM 0 HB3 PRO A 44 52.824 -16.836 -1.202 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.028 -14.633 -2.562 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.714 -14.957 -2.209 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.227 -15.293 -4.796 1.00 12.02 H new ATOM 0 HD3 PRO A 44 53.886 -14.794 -4.531 1.00 12.02 H new ATOM 676 N GLU A 45 51.428 -18.572 -4.656 1.00 52.10 N ATOM 677 CA GLU A 45 50.465 -19.553 -5.151 1.00 33.11 C ATOM 678 C GLU A 45 51.145 -20.871 -5.513 1.00 32.45 C ATOM 679 O GLU A 45 50.585 -21.947 -5.301 1.00 53.21 O ATOM 680 CB GLU A 45 49.710 -19.000 -6.358 1.00 63.41 C ATOM 681 CG GLU A 45 48.738 -17.892 -6.000 1.00 44.43 C ATOM 682 CD GLU A 45 48.055 -17.297 -7.211 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.585 -18.070 -8.072 1.00 63.33 O ATOM 684 OE2 GLU A 45 47.970 -16.052 -7.295 1.00 61.31 O ATOM 0 H GLU A 45 51.500 -17.728 -5.225 1.00 52.10 H new ATOM 0 HA GLU A 45 49.754 -19.751 -4.349 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.428 -18.623 -7.086 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.164 -19.811 -6.840 1.00 63.41 H new ATOM 0 HG2 GLU A 45 47.983 -18.284 -5.319 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.271 -17.105 -5.466 1.00 44.43 H new ATOM 691 N ASP A 46 52.355 -20.787 -6.050 1.00 54.25 N ATOM 692 CA ASP A 46 53.108 -21.983 -6.414 1.00 30.40 C ATOM 693 C ASP A 46 53.998 -22.419 -5.257 1.00 61.32 C ATOM 694 O ASP A 46 54.381 -23.585 -5.147 1.00 73.23 O ATOM 695 CB ASP A 46 53.954 -21.719 -7.668 1.00 23.20 C ATOM 696 CG ASP A 46 54.725 -22.939 -8.130 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.127 -23.812 -8.792 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.935 -23.019 -7.853 1.00 44.11 O ATOM 0 H ASP A 46 52.836 -19.908 -6.243 1.00 54.25 H new ATOM 0 HA ASP A 46 52.403 -22.785 -6.633 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.303 -21.381 -8.474 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.655 -20.909 -7.463 1.00 23.20 H new ATOM 703 N GLY A 47 54.299 -21.480 -4.372 1.00 73.12 N ATOM 704 CA GLY A 47 55.155 -21.779 -3.243 1.00 12.11 C ATOM 705 C GLY A 47 56.485 -21.067 -3.338 1.00 64.11 C ATOM 706 O GLY A 47 57.376 -21.280 -2.515 1.00 22.42 O ATOM 0 H GLY A 47 53.966 -20.517 -4.416 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.653 -21.488 -2.320 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.322 -22.855 -3.190 1.00 12.11 H new ATOM 710 N ILE A 48 56.617 -20.219 -4.349 1.00 0.01 N ATOM 711 CA ILE A 48 57.830 -19.444 -4.550 1.00 25.24 C ATOM 712 C ILE A 48 57.832 -18.230 -3.629 1.00 62.01 C ATOM 713 O ILE A 48 57.097 -17.268 -3.852 1.00 62.43 O ATOM 714 CB ILE A 48 57.961 -18.968 -6.015 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.813 -20.147 -6.987 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.293 -18.265 -6.228 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.856 -21.229 -6.809 1.00 43.03 C ATOM 0 H ILE A 48 55.892 -20.051 -5.047 1.00 0.01 H new ATOM 0 HA ILE A 48 58.677 -20.090 -4.318 1.00 25.24 H new ATOM 0 HB ILE A 48 57.158 -18.259 -6.217 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.824 -20.587 -6.860 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.866 -19.771 -8.009 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.369 -17.936 -7.264 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.358 -17.400 -5.567 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.108 -18.954 -6.005 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.682 -22.025 -7.533 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.849 -20.807 -6.966 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.790 -21.635 -5.800 1.00 43.03 H new ATOM 729 N ALA A 49 58.650 -18.282 -2.591 1.00 31.20 N ATOM 730 CA ALA A 49 58.691 -17.215 -1.603 1.00 5.11 C ATOM 731 C ALA A 49 59.457 -16.004 -2.124 1.00 32.55 C ATOM 732 O ALA A 49 60.357 -16.131 -2.958 1.00 44.13 O ATOM 733 CB ALA A 49 59.316 -17.722 -0.311 1.00 50.42 C ATOM 0 H ALA A 49 59.295 -19.051 -2.410 1.00 31.20 H new ATOM 0 HA ALA A 49 57.667 -16.900 -1.404 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.342 -16.915 0.422 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.723 -18.549 0.080 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.331 -18.066 -0.508 1.00 50.42 H new ATOM 739 N ALA A 50 59.084 -14.832 -1.639 1.00 43.33 N ATOM 740 CA ALA A 50 59.777 -13.602 -1.980 1.00 31.42 C ATOM 741 C ALA A 50 61.256 -13.713 -1.644 1.00 65.35 C ATOM 742 O ALA A 50 61.618 -13.960 -0.491 1.00 33.24 O ATOM 743 CB ALA A 50 59.157 -12.434 -1.234 1.00 12.13 C ATOM 0 H ALA A 50 58.297 -14.707 -1.002 1.00 43.33 H new ATOM 0 HA ALA A 50 59.678 -13.432 -3.052 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.682 -11.515 -1.495 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.107 -12.342 -1.510 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.236 -12.605 -0.160 1.00 12.13 H new ATOM 749 N GLY A 51 62.108 -13.538 -2.643 1.00 23.11 N ATOM 750 CA GLY A 51 63.531 -13.674 -2.422 1.00 51.21 C ATOM 751 C GLY A 51 64.087 -14.935 -3.047 1.00 12.22 C ATOM 752 O GLY A 51 65.301 -15.144 -3.064 1.00 44.15 O ATOM 0 H GLY A 51 61.840 -13.305 -3.599 1.00 23.11 H new ATOM 0 HA2 GLY A 51 64.046 -12.807 -2.836 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.732 -13.682 -1.351 1.00 51.21 H new ATOM 756 N THR A 52 63.203 -15.789 -3.550 1.00 34.23 N ATOM 757 CA THR A 52 63.632 -16.970 -4.278 1.00 72.11 C ATOM 758 C THR A 52 64.237 -16.553 -5.615 1.00 32.45 C ATOM 759 O THR A 52 63.564 -15.938 -6.445 1.00 11.25 O ATOM 760 CB THR A 52 62.465 -17.948 -4.518 1.00 4.53 C ATOM 761 OG1 THR A 52 61.826 -18.261 -3.274 1.00 61.21 O ATOM 762 CG2 THR A 52 62.955 -19.234 -5.171 1.00 63.31 C ATOM 0 H THR A 52 62.192 -15.684 -3.466 1.00 34.23 H new ATOM 0 HA THR A 52 64.379 -17.485 -3.674 1.00 72.11 H new ATOM 0 HB THR A 52 61.753 -17.466 -5.188 1.00 4.53 H new ATOM 0 HG1 THR A 52 60.993 -17.751 -3.197 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.112 -19.906 -5.329 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.418 -19.002 -6.130 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.686 -19.716 -4.522 1.00 63.31 H new ATOM 770 N ARG A 53 65.509 -16.869 -5.801 1.00 11.11 N ATOM 771 CA ARG A 53 66.227 -16.486 -7.006 1.00 1.42 C ATOM 772 C ARG A 53 65.860 -17.396 -8.165 1.00 24.11 C ATOM 773 O ARG A 53 65.399 -18.523 -7.965 1.00 33.21 O ATOM 774 CB ARG A 53 67.738 -16.552 -6.769 1.00 42.33 C ATOM 775 CG ARG A 53 68.257 -15.492 -5.814 1.00 70.11 C ATOM 776 CD ARG A 53 68.198 -14.108 -6.436 1.00 62.02 C ATOM 777 NE ARG A 53 69.074 -13.997 -7.604 1.00 73.44 N ATOM 778 CZ ARG A 53 69.517 -12.838 -8.088 1.00 34.42 C ATOM 779 NH1 ARG A 53 69.155 -11.698 -7.509 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.318 -12.815 -9.147 1.00 20.33 N ATOM 0 H ARG A 53 66.068 -17.393 -5.128 1.00 11.11 H new ATOM 0 HA ARG A 53 65.943 -15.463 -7.255 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.992 -17.537 -6.376 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.251 -16.448 -7.725 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.667 -15.506 -4.897 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.285 -15.724 -5.535 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.172 -13.885 -6.729 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.486 -13.364 -5.694 1.00 62.02 H new ATOM 0 HE ARG A 53 69.361 -14.856 -8.073 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.539 -11.712 -6.696 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.493 -10.809 -7.878 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.597 -13.688 -9.594 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.654 -11.924 -9.513 1.00 20.33 H new ATOM 794 N TRP A 54 66.078 -16.903 -9.374 1.00 75.02 N ATOM 795 CA TRP A 54 65.903 -17.702 -10.579 1.00 4.51 C ATOM 796 C TRP A 54 66.842 -18.909 -10.541 1.00 51.50 C ATOM 797 O TRP A 54 66.591 -19.933 -11.178 1.00 53.22 O ATOM 798 CB TRP A 54 66.185 -16.836 -11.809 1.00 14.02 C ATOM 799 CG TRP A 54 65.540 -17.332 -13.066 1.00 2.34 C ATOM 800 CD1 TRP A 54 66.162 -17.882 -14.149 1.00 3.31 C ATOM 801 CD2 TRP A 54 64.142 -17.317 -13.369 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.232 -18.207 -15.110 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.985 -17.868 -14.653 1.00 51.34 C ATOM 804 CE3 TRP A 54 63.007 -16.889 -12.676 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.738 -17.997 -15.259 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.772 -17.022 -13.276 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.644 -17.572 -14.555 1.00 44.10 C ATOM 0 H TRP A 54 66.379 -15.944 -9.548 1.00 75.02 H new ATOM 0 HA TRP A 54 64.877 -18.066 -10.633 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.840 -15.821 -11.612 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.263 -16.782 -11.963 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.227 -18.039 -14.239 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.437 -18.631 -16.015 1.00 35.15 H new ATOM 0 HE3 TRP A 54 63.095 -16.462 -11.688 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.638 -18.417 -16.249 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.888 -16.695 -12.748 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.662 -17.663 -14.996 1.00 44.10 H new ATOM 818 N ASP A 55 67.922 -18.769 -9.769 1.00 34.41 N ATOM 819 CA ASP A 55 68.881 -19.849 -9.549 1.00 13.53 C ATOM 820 C ASP A 55 68.256 -20.949 -8.699 1.00 43.20 C ATOM 821 O ASP A 55 68.499 -22.134 -8.921 1.00 13.14 O ATOM 822 CB ASP A 55 70.130 -19.333 -8.826 1.00 34.21 C ATOM 823 CG ASP A 55 70.793 -18.167 -9.525 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.620 -18.399 -10.431 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.507 -17.009 -9.150 1.00 31.22 O ATOM 0 H ASP A 55 68.154 -17.904 -9.280 1.00 34.41 H new ATOM 0 HA ASP A 55 69.161 -20.243 -10.526 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.857 -19.032 -7.815 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.849 -20.147 -8.733 1.00 34.21 H new ATOM 830 N ASP A 56 67.458 -20.540 -7.718 1.00 74.00 N ATOM 831 CA ASP A 56 66.819 -21.480 -6.803 1.00 13.50 C ATOM 832 C ASP A 56 65.729 -22.247 -7.529 1.00 35.01 C ATOM 833 O ASP A 56 65.632 -23.470 -7.413 1.00 73.34 O ATOM 834 CB ASP A 56 66.206 -20.759 -5.593 1.00 10.43 C ATOM 835 CG ASP A 56 67.228 -20.028 -4.747 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.178 -20.673 -4.263 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.081 -18.802 -4.559 1.00 45.42 O ATOM 0 H ASP A 56 67.238 -19.561 -7.536 1.00 74.00 H new ATOM 0 HA ASP A 56 67.586 -22.167 -6.444 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.459 -20.047 -5.944 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.685 -21.487 -4.971 1.00 10.43 H new ATOM 842 N ILE A 57 64.924 -21.509 -8.283 1.00 54.25 N ATOM 843 CA ILE A 57 63.815 -22.076 -9.036 1.00 24.31 C ATOM 844 C ILE A 57 64.311 -23.128 -10.027 1.00 43.24 C ATOM 845 O ILE A 57 65.145 -22.835 -10.884 1.00 14.33 O ATOM 846 CB ILE A 57 63.054 -20.972 -9.801 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.549 -19.900 -8.832 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.893 -21.565 -10.583 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.879 -18.728 -9.519 1.00 14.05 C ATOM 0 H ILE A 57 65.023 -20.499 -8.389 1.00 54.25 H new ATOM 0 HA ILE A 57 63.140 -22.549 -8.323 1.00 24.31 H new ATOM 0 HB ILE A 57 63.743 -20.507 -10.506 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.843 -20.354 -8.136 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.388 -19.533 -8.241 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.369 -20.771 -11.115 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.272 -22.294 -11.300 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.204 -22.056 -9.896 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.547 -18.009 -8.770 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.588 -18.248 -10.194 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.020 -19.083 -10.088 1.00 14.05 H new ATOM 861 N PRO A 58 63.810 -24.367 -9.912 1.00 63.44 N ATOM 862 CA PRO A 58 64.217 -25.480 -10.782 1.00 3.44 C ATOM 863 C PRO A 58 63.866 -25.233 -12.249 1.00 51.00 C ATOM 864 O PRO A 58 62.880 -24.561 -12.559 1.00 45.01 O ATOM 865 CB PRO A 58 63.419 -26.671 -10.240 1.00 24.00 C ATOM 866 CG PRO A 58 62.276 -26.065 -9.504 1.00 73.11 C ATOM 867 CD PRO A 58 62.797 -24.782 -8.929 1.00 50.42 C ATOM 0 HA PRO A 58 65.297 -25.629 -10.767 1.00 3.44 H new ATOM 0 HB2 PRO A 58 63.071 -27.314 -11.049 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.030 -27.289 -9.581 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.434 -25.881 -10.171 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.920 -26.730 -8.717 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.008 -24.037 -8.823 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.231 -24.930 -7.940 1.00 50.42 H new ATOM 875 N ASP A 59 64.665 -25.790 -13.151 1.00 25.01 N ATOM 876 CA ASP A 59 64.441 -25.614 -14.586 1.00 41.44 C ATOM 877 C ASP A 59 63.194 -26.370 -15.037 1.00 34.41 C ATOM 878 O ASP A 59 62.703 -26.172 -16.148 1.00 72.22 O ATOM 879 CB ASP A 59 65.666 -26.058 -15.400 1.00 1.55 C ATOM 880 CG ASP A 59 65.974 -27.539 -15.270 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.369 -27.973 -14.167 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.840 -28.271 -16.272 1.00 11.32 O ATOM 0 H ASP A 59 65.473 -26.367 -12.918 1.00 25.01 H new ATOM 0 HA ASP A 59 64.284 -24.551 -14.769 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.500 -25.820 -16.451 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.535 -25.484 -15.077 1.00 1.55 H new ATOM 887 N ASP A 60 62.679 -27.227 -14.158 1.00 32.43 N ATOM 888 CA ASP A 60 61.432 -27.943 -14.416 1.00 54.13 C ATOM 889 C ASP A 60 60.220 -27.053 -14.151 1.00 24.24 C ATOM 890 O ASP A 60 59.112 -27.364 -14.590 1.00 12.35 O ATOM 891 CB ASP A 60 61.317 -29.196 -13.540 1.00 23.23 C ATOM 892 CG ASP A 60 62.236 -30.320 -13.968 1.00 23.22 C ATOM 893 OD1 ASP A 60 61.931 -30.988 -14.982 1.00 42.45 O ATOM 894 OD2 ASP A 60 63.247 -30.563 -13.274 1.00 70.35 O ATOM 0 H ASP A 60 63.108 -27.443 -13.258 1.00 32.43 H new ATOM 0 HA ASP A 60 61.449 -28.234 -15.466 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.540 -28.929 -12.507 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.287 -29.552 -13.562 1.00 23.23 H new ATOM 899 N TRP A 61 60.437 -25.952 -13.432 1.00 5.24 N ATOM 900 CA TRP A 61 59.345 -25.075 -13.023 1.00 42.43 C ATOM 901 C TRP A 61 58.652 -24.468 -14.233 1.00 33.21 C ATOM 902 O TRP A 61 59.284 -23.814 -15.068 1.00 22.24 O ATOM 903 CB TRP A 61 59.864 -23.966 -12.105 1.00 54.42 C ATOM 904 CG TRP A 61 58.788 -23.062 -11.566 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.914 -23.341 -10.558 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.482 -21.728 -12.003 1.00 34.02 C ATOM 907 NE1 TRP A 61 57.091 -22.269 -10.336 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.416 -21.265 -11.212 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.008 -20.880 -12.985 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.867 -19.995 -11.367 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.457 -19.620 -13.141 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.398 -19.189 -12.335 1.00 25.01 C ATOM 0 H TRP A 61 61.360 -25.648 -13.122 1.00 5.24 H new ATOM 0 HA TRP A 61 58.619 -25.676 -12.476 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.395 -24.420 -11.268 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.589 -23.364 -12.654 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.876 -24.273 -10.013 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.354 -22.224 -9.632 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.828 -21.203 -13.609 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.051 -19.659 -10.745 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.851 -18.958 -13.898 1.00 12.43 H new ATOM 0 HH2 TRP A 61 56.992 -18.199 -12.481 1.00 25.01 H new ATOM 923 N SER A 62 57.357 -24.705 -14.325 1.00 54.20 N ATOM 924 CA SER A 62 56.556 -24.167 -15.400 1.00 3.30 C ATOM 925 C SER A 62 55.736 -22.979 -14.921 1.00 13.23 C ATOM 926 O SER A 62 55.305 -22.928 -13.766 1.00 63.43 O ATOM 927 CB SER A 62 55.650 -25.258 -15.962 1.00 63.43 C ATOM 928 OG SER A 62 55.228 -26.152 -14.938 1.00 64.32 O ATOM 0 H SER A 62 56.836 -25.274 -13.658 1.00 54.20 H new ATOM 0 HA SER A 62 57.219 -23.816 -16.191 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.779 -24.804 -16.434 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.180 -25.812 -16.737 1.00 63.43 H new ATOM 0 HG SER A 62 54.647 -26.841 -15.324 1.00 64.32 H new ATOM 934 N CYS A 63 55.544 -22.024 -15.816 1.00 24.15 N ATOM 935 CA CYS A 63 54.749 -20.842 -15.545 1.00 63.43 C ATOM 936 C CYS A 63 53.311 -21.226 -15.209 1.00 24.51 C ATOM 937 O CYS A 63 52.621 -21.835 -16.022 1.00 44.14 O ATOM 938 CB CYS A 63 54.774 -19.927 -16.771 1.00 63.12 C ATOM 939 SG CYS A 63 53.725 -18.463 -16.631 1.00 13.20 S ATOM 0 H CYS A 63 55.939 -22.049 -16.756 1.00 24.15 H new ATOM 0 HA CYS A 63 55.171 -20.318 -14.687 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.801 -19.608 -16.950 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.462 -20.501 -17.644 1.00 63.12 H new ATOM 0 HG CYS A 63 54.253 -17.630 -15.784 1.00 13.20 H new ATOM 944 N PRO A 64 52.841 -20.853 -14.008 1.00 12.23 N ATOM 945 CA PRO A 64 51.478 -21.163 -13.539 1.00 52.51 C ATOM 946 C PRO A 64 50.386 -20.519 -14.398 1.00 52.22 C ATOM 947 O PRO A 64 49.195 -20.741 -14.176 1.00 21.33 O ATOM 948 CB PRO A 64 51.436 -20.574 -12.123 1.00 2.43 C ATOM 949 CG PRO A 64 52.859 -20.380 -11.728 1.00 63.34 C ATOM 950 CD PRO A 64 53.608 -20.106 -12.998 1.00 75.23 C ATOM 0 HA PRO A 64 51.284 -22.235 -13.585 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.892 -19.629 -12.107 1.00 2.43 H new ATOM 0 HB3 PRO A 64 50.926 -21.247 -11.434 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.960 -19.550 -11.029 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.249 -21.267 -11.229 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.641 -19.040 -13.224 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.640 -20.451 -12.939 1.00 75.23 H new ATOM 958 N ASP A 65 50.791 -19.710 -15.373 1.00 62.43 N ATOM 959 CA ASP A 65 49.841 -18.967 -16.196 1.00 4.14 C ATOM 960 C ASP A 65 49.643 -19.629 -17.564 1.00 73.14 C ATOM 961 O ASP A 65 48.723 -19.273 -18.304 1.00 75.43 O ATOM 962 CB ASP A 65 50.326 -17.523 -16.374 1.00 75.11 C ATOM 963 CG ASP A 65 49.297 -16.629 -17.036 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.256 -16.343 -16.404 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.533 -16.186 -18.180 1.00 12.44 O ATOM 0 H ASP A 65 51.770 -19.552 -15.613 1.00 62.43 H new ATOM 0 HA ASP A 65 48.878 -18.968 -15.685 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.584 -17.110 -15.399 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.237 -17.523 -16.972 1.00 75.11 H new ATOM 970 N CYS A 66 50.491 -20.599 -17.898 1.00 24.23 N ATOM 971 CA CYS A 66 50.419 -21.243 -19.211 1.00 44.35 C ATOM 972 C CYS A 66 51.020 -22.650 -19.198 1.00 61.50 C ATOM 973 O CYS A 66 50.470 -23.570 -19.802 1.00 33.10 O ATOM 974 CB CYS A 66 51.124 -20.380 -20.264 1.00 11.53 C ATOM 975 SG CYS A 66 52.825 -19.942 -19.834 1.00 2.42 S ATOM 0 H CYS A 66 51.227 -20.954 -17.288 1.00 24.23 H new ATOM 0 HA CYS A 66 49.364 -21.340 -19.467 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.126 -20.913 -21.215 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.550 -19.465 -20.413 1.00 11.53 H new ATOM 0 HG CYS A 66 52.853 -19.435 -18.637 1.00 2.42 H new ATOM 980 N GLY A 67 52.146 -22.814 -18.515 1.00 11.35 N ATOM 981 CA GLY A 67 52.798 -24.110 -18.458 1.00 2.21 C ATOM 982 C GLY A 67 54.168 -24.098 -19.107 1.00 45.15 C ATOM 983 O GLY A 67 54.880 -25.102 -19.088 1.00 12.15 O ATOM 0 H GLY A 67 52.620 -22.073 -17.999 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.895 -24.419 -17.417 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.171 -24.851 -18.954 1.00 2.21 H new ATOM 987 N ALA A 68 54.537 -22.961 -19.684 1.00 3.21 N ATOM 988 CA ALA A 68 55.846 -22.808 -20.311 1.00 51.33 C ATOM 989 C ALA A 68 56.947 -22.800 -19.255 1.00 24.02 C ATOM 990 O ALA A 68 56.736 -22.322 -18.143 1.00 24.41 O ATOM 991 CB ALA A 68 55.883 -21.530 -21.131 1.00 22.41 C ATOM 0 H ALA A 68 53.948 -22.130 -19.731 1.00 3.21 H new ATOM 0 HA ALA A 68 56.018 -23.655 -20.975 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.863 -21.424 -21.595 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.117 -21.572 -21.906 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.695 -20.675 -20.481 1.00 22.41 H new ATOM 997 N ALA A 69 58.115 -23.321 -19.600 1.00 63.43 N ATOM 998 CA ALA A 69 59.210 -23.432 -18.644 1.00 14.25 C ATOM 999 C ALA A 69 59.943 -22.101 -18.484 1.00 45.14 C ATOM 1000 O ALA A 69 59.608 -21.117 -19.141 1.00 64.45 O ATOM 1001 CB ALA A 69 60.180 -24.523 -19.076 1.00 43.25 C ATOM 0 H ALA A 69 58.330 -23.673 -20.533 1.00 63.43 H new ATOM 0 HA ALA A 69 58.786 -23.699 -17.676 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.992 -24.595 -18.353 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.655 -25.477 -19.128 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.588 -24.280 -20.057 1.00 43.25 H new ATOM 1007 N LYS A 70 60.953 -22.085 -17.614 1.00 44.04 N ATOM 1008 CA LYS A 70 61.744 -20.879 -17.361 1.00 2.40 C ATOM 1009 C LYS A 70 62.372 -20.344 -18.644 1.00 33.52 C ATOM 1010 O LYS A 70 62.563 -19.139 -18.801 1.00 53.10 O ATOM 1011 CB LYS A 70 62.851 -21.155 -16.340 1.00 2.20 C ATOM 1012 CG LYS A 70 62.348 -21.629 -14.986 1.00 4.42 C ATOM 1013 CD LYS A 70 63.400 -21.423 -13.904 1.00 65.43 C ATOM 1014 CE LYS A 70 64.721 -22.089 -14.261 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.797 -21.764 -13.287 1.00 61.24 N ATOM 0 H LYS A 70 61.244 -22.897 -17.070 1.00 44.04 H new ATOM 0 HA LYS A 70 61.061 -20.129 -16.962 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.526 -21.907 -16.748 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.435 -20.245 -16.200 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.440 -21.086 -14.722 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.083 -22.685 -15.043 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.561 -20.356 -13.753 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.034 -21.827 -12.960 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.582 -23.169 -14.299 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.028 -21.772 -15.258 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.724 -21.857 -13.750 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.676 -20.788 -12.948 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.745 -22.419 -12.481 1.00 61.24 H new ATOM 1029 N SER A 71 62.671 -21.245 -19.569 1.00 24.44 N ATOM 1030 CA SER A 71 63.333 -20.881 -20.814 1.00 74.02 C ATOM 1031 C SER A 71 62.414 -20.025 -21.694 1.00 74.23 C ATOM 1032 O SER A 71 62.864 -19.377 -22.641 1.00 30.43 O ATOM 1033 CB SER A 71 63.758 -22.150 -21.556 1.00 35.23 C ATOM 1034 OG SER A 71 64.577 -21.856 -22.676 1.00 35.24 O ATOM 0 H SER A 71 62.464 -22.240 -19.480 1.00 24.44 H new ATOM 0 HA SER A 71 64.217 -20.287 -20.582 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.298 -22.807 -20.874 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.872 -22.692 -21.886 1.00 35.23 H new ATOM 0 HG SER A 71 64.830 -22.690 -23.124 1.00 35.24 H new ATOM 1040 N ASP A 72 61.126 -20.015 -21.365 1.00 22.41 N ATOM 1041 CA ASP A 72 60.149 -19.231 -22.107 1.00 53.55 C ATOM 1042 C ASP A 72 59.961 -17.863 -21.463 1.00 72.53 C ATOM 1043 O ASP A 72 59.050 -17.117 -21.820 1.00 51.33 O ATOM 1044 CB ASP A 72 58.805 -19.961 -22.172 1.00 31.01 C ATOM 1045 CG ASP A 72 58.896 -21.298 -22.877 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.239 -22.299 -22.220 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.618 -21.357 -24.095 1.00 14.24 O ATOM 0 H ASP A 72 60.735 -20.544 -20.586 1.00 22.41 H new ATOM 0 HA ASP A 72 60.525 -19.097 -23.121 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.431 -20.114 -21.160 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.080 -19.332 -22.688 1.00 31.01 H new ATOM 1052 N PHE A 73 60.816 -17.541 -20.501 1.00 54.42 N ATOM 1053 CA PHE A 73 60.790 -16.230 -19.867 1.00 32.03 C ATOM 1054 C PHE A 73 61.891 -15.344 -20.435 1.00 41.43 C ATOM 1055 O PHE A 73 62.908 -15.837 -20.920 1.00 33.41 O ATOM 1056 CB PHE A 73 60.968 -16.351 -18.348 1.00 12.00 C ATOM 1057 CG PHE A 73 59.769 -16.905 -17.624 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.462 -18.254 -17.680 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.955 -16.070 -16.875 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.364 -18.757 -17.009 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.857 -16.567 -16.202 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.562 -17.912 -16.268 1.00 32.20 C ATOM 0 H PHE A 73 61.535 -18.169 -20.143 1.00 54.42 H new ATOM 0 HA PHE A 73 59.819 -15.780 -20.073 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.827 -16.990 -18.145 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.200 -15.366 -17.942 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.088 -18.921 -18.255 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.183 -15.016 -16.817 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.133 -19.811 -17.064 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.230 -15.903 -15.625 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.705 -18.304 -15.741 1.00 32.20 H new ATOM 1072 N GLU A 74 61.677 -14.038 -20.381 1.00 11.30 N ATOM 1073 CA GLU A 74 62.699 -13.077 -20.766 1.00 71.52 C ATOM 1074 C GLU A 74 63.151 -12.308 -19.534 1.00 63.42 C ATOM 1075 O GLU A 74 62.356 -12.078 -18.614 1.00 24.10 O ATOM 1076 CB GLU A 74 62.172 -12.098 -21.824 1.00 55.11 C ATOM 1077 CG GLU A 74 61.090 -11.163 -21.304 1.00 15.31 C ATOM 1078 CD GLU A 74 60.667 -10.127 -22.323 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.475 -9.225 -22.635 1.00 33.13 O ATOM 1080 OE2 GLU A 74 59.516 -10.191 -22.798 1.00 22.12 O ATOM 0 H GLU A 74 60.800 -13.618 -20.073 1.00 11.30 H new ATOM 0 HA GLU A 74 63.540 -13.619 -21.199 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.003 -11.503 -22.203 1.00 55.11 H new ATOM 0 HB3 GLU A 74 61.776 -12.665 -22.667 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.221 -11.750 -21.008 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.453 -10.658 -20.409 1.00 15.31 H new ATOM 1087 N MET A 75 64.416 -11.920 -19.505 1.00 1.12 N ATOM 1088 CA MET A 75 64.957 -11.218 -18.356 1.00 0.12 C ATOM 1089 C MET A 75 64.737 -9.718 -18.480 1.00 41.40 C ATOM 1090 O MET A 75 65.249 -9.072 -19.396 1.00 64.03 O ATOM 1091 CB MET A 75 66.448 -11.508 -18.193 1.00 65.23 C ATOM 1092 CG MET A 75 67.051 -10.880 -16.944 1.00 22.24 C ATOM 1093 SD MET A 75 68.827 -11.158 -16.814 1.00 62.41 S ATOM 1094 CE MET A 75 68.885 -12.949 -16.753 1.00 41.21 C ATOM 0 H MET A 75 65.083 -12.079 -20.260 1.00 1.12 H new ATOM 0 HA MET A 75 64.429 -11.578 -17.473 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.599 -12.587 -18.158 1.00 65.23 H new ATOM 0 HB3 MET A 75 66.981 -11.140 -19.070 1.00 65.23 H new ATOM 0 HG2 MET A 75 66.855 -9.808 -16.950 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.558 -11.289 -16.062 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.850 -13.269 -16.359 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.088 -13.317 -16.106 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.752 -13.352 -17.757 1.00 41.21 H new ATOM 1104 N VAL A 76 63.957 -9.176 -17.564 1.00 52.24 N ATOM 1105 CA VAL A 76 63.765 -7.743 -17.473 1.00 50.44 C ATOM 1106 C VAL A 76 64.612 -7.210 -16.329 1.00 33.40 C ATOM 1107 O VAL A 76 64.312 -7.445 -15.153 1.00 12.34 O ATOM 1108 CB VAL A 76 62.283 -7.369 -17.249 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.099 -5.855 -17.253 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.398 -8.021 -18.302 1.00 70.33 C ATOM 0 H VAL A 76 63.442 -9.713 -16.867 1.00 52.24 H new ATOM 0 HA VAL A 76 64.070 -7.294 -18.418 1.00 50.44 H new ATOM 0 HB VAL A 76 61.983 -7.745 -16.271 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.048 -5.616 -17.094 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.697 -5.414 -16.455 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.421 -5.452 -18.213 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.359 -7.744 -18.126 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.701 -7.682 -19.293 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.500 -9.105 -18.243 1.00 70.33 H new