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 -132:sc= 0.193 USER MOD Set 1.2: A 33 CYS SG : rot -152:sc= 1.53 USER MOD Set 1.3: A 63 CYS SG : rot -95:sc= 1.05 USER MOD Set 1.4: A 66 CYS SG : rot -61:sc= 1.2 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0704 (180deg=-0.415) USER MOD Single : A 32 GLN : amide:sc= -1.85! C(o=-1.9!,f=-7.1!) USER MOD Single : A 37 TYR OH : rot -100:sc= -0.373 USER MOD Single : A 52 THR OG1 : rot 62:sc= 1.3 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 3 (180deg=2.6) USER MOD Single : A 71 SER OG : rot -28:sc= 0.162 USER MOD Single : A 75 MET CE :methyl -164:sc= -0.0599 (180deg=-0.41) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 67.238 -7.654 -7.455 1.00 42.41 N ATOM 351 CA TYR A 25 66.403 -8.738 -7.947 1.00 12.14 C ATOM 352 C TYR A 25 65.993 -8.452 -9.378 1.00 32.30 C ATOM 353 O TYR A 25 65.829 -7.294 -9.757 1.00 32.03 O ATOM 354 CB TYR A 25 65.165 -8.909 -7.065 1.00 42.40 C ATOM 355 CG TYR A 25 65.482 -9.359 -5.658 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.979 -10.633 -5.408 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.281 -8.510 -4.580 1.00 5.11 C ATOM 358 CE1 TYR A 25 66.269 -11.045 -4.123 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.567 -8.916 -3.293 1.00 35.34 C ATOM 360 CZ TYR A 25 66.061 -10.182 -3.069 1.00 72.10 C ATOM 361 OH TYR A 25 66.350 -10.582 -1.786 1.00 54.31 O ATOM 0 HA TYR A 25 66.974 -9.666 -7.914 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.626 -7.962 -7.022 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.497 -9.635 -7.528 1.00 42.40 H new ATOM 0 HD1 TYR A 25 66.141 -11.311 -6.233 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.895 -7.516 -4.751 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.656 -12.037 -3.945 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.404 -8.243 -2.464 1.00 35.34 H new ATOM 0 HH TYR A 25 66.147 -9.854 -1.163 1.00 54.31 H new ATOM 371 N LYS A 26 65.847 -9.495 -10.177 1.00 31.42 N ATOM 372 CA LYS A 26 65.481 -9.322 -11.572 1.00 10.43 C ATOM 373 C LYS A 26 64.023 -9.700 -11.797 1.00 64.22 C ATOM 374 O LYS A 26 63.396 -10.359 -10.960 1.00 33.23 O ATOM 375 CB LYS A 26 66.377 -10.161 -12.495 1.00 44.31 C ATOM 376 CG LYS A 26 67.870 -9.997 -12.242 1.00 40.14 C ATOM 377 CD LYS A 26 68.384 -11.046 -11.269 1.00 14.02 C ATOM 378 CE LYS A 26 69.805 -10.760 -10.824 1.00 14.41 C ATOM 379 NZ LYS A 26 69.906 -9.480 -10.081 1.00 2.34 N ATOM 0 H LYS A 26 65.975 -10.464 -9.886 1.00 31.42 H new ATOM 0 HA LYS A 26 65.622 -8.269 -11.816 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.114 -11.212 -12.378 1.00 44.31 H new ATOM 0 HB3 LYS A 26 66.165 -9.892 -13.530 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.412 -10.076 -13.185 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.066 -9.001 -11.844 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.731 -11.082 -10.397 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.342 -12.028 -11.739 1.00 14.02 H new ATOM 0 HE2 LYS A 26 70.158 -11.575 -10.192 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.458 -10.726 -11.696 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.778 -9.476 -9.514 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.927 -8.688 -10.755 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.084 -9.378 -9.453 1.00 2.34 H new ATOM 393 N LEU A 27 63.490 -9.265 -12.926 1.00 10.35 N ATOM 394 CA LEU A 27 62.145 -9.621 -13.330 1.00 63.42 C ATOM 395 C LEU A 27 62.233 -10.536 -14.542 1.00 12.52 C ATOM 396 O LEU A 27 63.025 -10.299 -15.446 1.00 23.11 O ATOM 397 CB LEU A 27 61.336 -8.347 -13.644 1.00 14.35 C ATOM 398 CG LEU A 27 59.841 -8.539 -13.943 1.00 74.43 C ATOM 399 CD1 LEU A 27 59.085 -7.244 -13.687 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.624 -8.984 -15.384 1.00 64.32 C ATOM 0 H LEU A 27 63.977 -8.657 -13.585 1.00 10.35 H new ATOM 0 HA LEU A 27 61.630 -10.146 -12.525 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.430 -7.666 -12.798 1.00 14.35 H new ATOM 0 HB3 LEU A 27 61.795 -7.855 -14.501 1.00 14.35 H new ATOM 0 HG LEU A 27 59.462 -9.317 -13.280 1.00 74.43 H new ATOM 0 HD11 LEU A 27 58.027 -7.392 -13.902 1.00 23.04 H new ATOM 0 HD12 LEU A 27 59.206 -6.952 -12.644 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.480 -6.459 -14.331 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.557 -9.112 -15.568 1.00 64.32 H new ATOM 0 HD22 LEU A 27 60.021 -8.228 -16.062 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.138 -9.930 -15.554 1.00 64.32 H new ATOM 412 N PHE A 28 61.458 -11.599 -14.547 1.00 1.00 N ATOM 413 CA PHE A 28 61.462 -12.526 -15.662 1.00 50.25 C ATOM 414 C PHE A 28 60.074 -12.626 -16.268 1.00 32.34 C ATOM 415 O PHE A 28 59.114 -12.995 -15.592 1.00 14.13 O ATOM 416 CB PHE A 28 61.960 -13.898 -15.211 1.00 13.43 C ATOM 417 CG PHE A 28 63.427 -13.914 -14.885 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.883 -13.511 -13.639 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.352 -14.324 -15.832 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.233 -13.516 -13.347 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.702 -14.329 -15.544 1.00 45.12 C ATOM 422 CZ PHE A 28 66.143 -13.927 -14.300 1.00 30.44 C ATOM 0 H PHE A 28 60.817 -11.844 -13.793 1.00 1.00 H new ATOM 0 HA PHE A 28 62.142 -12.152 -16.427 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.395 -14.213 -14.333 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.760 -14.627 -15.997 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.175 -13.190 -12.889 1.00 13.32 H new ATOM 0 HD2 PHE A 28 64.013 -14.643 -16.806 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.576 -13.198 -12.374 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.413 -14.647 -16.292 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.199 -13.934 -14.072 1.00 30.44 H new ATOM 432 N ARG A 29 59.965 -12.276 -17.538 1.00 72.21 N ATOM 433 CA ARG A 29 58.669 -12.268 -18.207 1.00 15.21 C ATOM 434 C ARG A 29 58.521 -13.458 -19.139 1.00 74.30 C ATOM 435 O ARG A 29 59.399 -13.732 -19.948 1.00 12.12 O ATOM 436 CB ARG A 29 58.461 -10.978 -19.004 1.00 53.45 C ATOM 437 CG ARG A 29 57.149 -10.979 -19.771 1.00 41.44 C ATOM 438 CD ARG A 29 57.050 -9.825 -20.759 1.00 1.41 C ATOM 439 NE ARG A 29 56.608 -8.585 -20.130 1.00 42.11 N ATOM 440 CZ ARG A 29 56.240 -7.496 -20.808 1.00 34.34 C ATOM 441 NH1 ARG A 29 56.303 -7.476 -22.134 1.00 14.43 N ATOM 442 NH2 ARG A 29 55.802 -6.424 -20.157 1.00 21.35 N ATOM 0 H ARG A 29 60.750 -11.995 -18.126 1.00 72.21 H new ATOM 0 HA ARG A 29 57.911 -12.330 -17.426 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.481 -10.126 -18.324 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.288 -10.848 -19.703 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.046 -11.922 -20.308 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.320 -10.922 -19.066 1.00 41.44 H new ATOM 0 HD2 ARG A 29 58.023 -9.665 -21.224 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.355 -10.092 -21.555 1.00 1.41 H new ATOM 0 HE ARG A 29 56.578 -8.548 -19.111 1.00 42.11 H new ATOM 0 HH11 ARG A 29 56.634 -8.297 -22.641 1.00 14.43 H new ATOM 0 HH12 ARG A 29 56.020 -6.640 -22.645 1.00 14.43 H new ATOM 0 HH21 ARG A 29 55.747 -6.433 -19.139 1.00 21.35 H new ATOM 0 HH22 ARG A 29 55.521 -5.592 -20.676 1.00 21.35 H new ATOM 456 N CYS A 30 57.403 -14.156 -19.018 1.00 53.14 N ATOM 457 CA CYS A 30 57.069 -15.228 -19.937 1.00 13.35 C ATOM 458 C CYS A 30 56.746 -14.644 -21.310 1.00 23.11 C ATOM 459 O CYS A 30 55.864 -13.796 -21.437 1.00 13.32 O ATOM 460 CB CYS A 30 55.872 -16.020 -19.416 1.00 24.13 C ATOM 461 SG CYS A 30 55.395 -17.408 -20.468 1.00 1.33 S ATOM 0 H CYS A 30 56.709 -13.997 -18.287 1.00 53.14 H new ATOM 0 HA CYS A 30 57.923 -15.900 -20.021 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.104 -16.396 -18.419 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.021 -15.347 -19.313 1.00 24.13 H new ATOM 0 HG CYS A 30 54.110 -17.384 -20.662 1.00 1.33 H new ATOM 466 N ILE A 31 57.448 -15.107 -22.329 1.00 13.20 N ATOM 467 CA ILE A 31 57.300 -14.564 -23.674 1.00 62.43 C ATOM 468 C ILE A 31 56.122 -15.201 -24.399 1.00 64.12 C ATOM 469 O ILE A 31 55.758 -14.783 -25.498 1.00 21.10 O ATOM 470 CB ILE A 31 58.581 -14.770 -24.513 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.886 -16.264 -24.672 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.755 -14.045 -23.868 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.098 -16.554 -25.533 1.00 74.30 C ATOM 0 H ILE A 31 58.130 -15.861 -22.253 1.00 13.20 H new ATOM 0 HA ILE A 31 57.118 -13.495 -23.562 1.00 62.43 H new ATOM 0 HB ILE A 31 58.419 -14.350 -25.506 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.041 -16.700 -23.685 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.017 -16.758 -25.107 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.652 -14.198 -24.469 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.536 -12.979 -23.808 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.919 -14.439 -22.865 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.249 -17.632 -25.598 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.940 -16.149 -26.532 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.979 -16.090 -25.089 1.00 74.30 H new ATOM 485 N GLN A 32 55.528 -16.209 -23.778 1.00 51.33 N ATOM 486 CA GLN A 32 54.412 -16.924 -24.385 1.00 23.44 C ATOM 487 C GLN A 32 53.080 -16.271 -24.027 1.00 13.04 C ATOM 488 O GLN A 32 52.070 -16.493 -24.693 1.00 35.13 O ATOM 489 CB GLN A 32 54.421 -18.391 -23.946 1.00 55.24 C ATOM 490 CG GLN A 32 55.665 -19.155 -24.388 1.00 33.15 C ATOM 491 CD GLN A 32 55.779 -19.282 -25.897 1.00 11.55 C ATOM 492 OE1 GLN A 32 55.317 -18.424 -26.649 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.399 -20.354 -26.353 1.00 22.30 N ATOM 0 H GLN A 32 55.798 -16.551 -22.856 1.00 51.33 H new ATOM 0 HA GLN A 32 54.529 -16.878 -25.468 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.344 -18.437 -22.860 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.538 -18.887 -24.349 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.551 -18.649 -24.004 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.649 -20.151 -23.945 1.00 33.15 H new ATOM 0 HE21 GLN A 32 56.770 -21.045 -25.701 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.508 -20.492 -27.358 1.00 22.30 H new ATOM 502 N CYS A 33 53.084 -15.453 -22.988 1.00 2.20 N ATOM 503 CA CYS A 33 51.859 -14.795 -22.552 1.00 22.24 C ATOM 504 C CYS A 33 52.129 -13.362 -22.112 1.00 72.42 C ATOM 505 O CYS A 33 51.470 -12.429 -22.570 1.00 22.31 O ATOM 506 CB CYS A 33 51.196 -15.587 -21.420 1.00 41.11 C ATOM 507 SG CYS A 33 52.258 -15.870 -19.985 1.00 25.30 S ATOM 0 H CYS A 33 53.911 -15.229 -22.434 1.00 2.20 H new ATOM 0 HA CYS A 33 51.177 -14.763 -23.401 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.302 -15.054 -21.096 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.869 -16.551 -21.810 1.00 41.11 H new ATOM 0 HG CYS A 33 51.890 -16.961 -19.381 1.00 25.30 H new ATOM 512 N GLY A 34 53.110 -13.190 -21.242 1.00 75.22 N ATOM 513 CA GLY A 34 53.418 -11.872 -20.730 1.00 61.15 C ATOM 514 C GLY A 34 53.487 -11.845 -19.218 1.00 41.20 C ATOM 515 O GLY A 34 53.585 -10.777 -18.615 1.00 65.41 O ATOM 0 H GLY A 34 53.699 -13.940 -20.880 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.371 -11.538 -21.141 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.660 -11.166 -21.070 1.00 61.15 H new ATOM 519 N PHE A 35 53.427 -13.023 -18.604 1.00 44.34 N ATOM 520 CA PHE A 35 53.512 -13.143 -17.152 1.00 63.14 C ATOM 521 C PHE A 35 54.865 -12.649 -16.653 1.00 62.11 C ATOM 522 O PHE A 35 55.897 -13.263 -16.925 1.00 22.11 O ATOM 523 CB PHE A 35 53.293 -14.602 -16.744 1.00 51.10 C ATOM 524 CG PHE A 35 53.361 -14.859 -15.261 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.252 -14.659 -14.456 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.530 -15.327 -14.677 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.305 -14.917 -13.099 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.590 -15.583 -13.320 1.00 63.43 C ATOM 529 CZ PHE A 35 53.475 -15.380 -12.531 1.00 22.21 C ATOM 0 H PHE A 35 53.319 -13.912 -19.092 1.00 44.34 H new ATOM 0 HA PHE A 35 52.737 -12.525 -16.699 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.319 -14.925 -17.110 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.041 -15.220 -17.241 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.334 -14.297 -14.894 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.403 -15.493 -15.290 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.432 -14.757 -12.484 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.508 -15.941 -12.877 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.518 -15.583 -11.471 1.00 22.21 H new ATOM 539 N GLU A 36 54.855 -11.527 -15.945 1.00 21.30 N ATOM 540 CA GLU A 36 56.071 -10.948 -15.409 1.00 35.33 C ATOM 541 C GLU A 36 56.268 -11.350 -13.957 1.00 44.03 C ATOM 542 O GLU A 36 55.416 -11.103 -13.107 1.00 52.25 O ATOM 543 CB GLU A 36 56.037 -9.428 -15.555 1.00 30.54 C ATOM 544 CG GLU A 36 56.179 -8.981 -16.997 1.00 13.22 C ATOM 545 CD GLU A 36 56.073 -7.484 -17.188 1.00 51.45 C ATOM 546 OE1 GLU A 36 57.106 -6.792 -17.108 1.00 54.43 O ATOM 547 OE2 GLU A 36 54.964 -7.003 -17.481 1.00 35.32 O ATOM 0 H GLU A 36 54.009 -10.999 -15.730 1.00 21.30 H new ATOM 0 HA GLU A 36 56.918 -11.332 -15.977 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.099 -9.048 -15.151 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.840 -8.991 -14.962 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.143 -9.319 -17.379 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.410 -9.469 -17.596 1.00 13.22 H new ATOM 554 N TYR A 37 57.392 -11.992 -13.697 1.00 71.04 N ATOM 555 CA TYR A 37 57.714 -12.479 -12.362 1.00 2.31 C ATOM 556 C TYR A 37 58.905 -11.730 -11.769 1.00 2.10 C ATOM 557 O TYR A 37 59.999 -11.745 -12.329 1.00 33.24 O ATOM 558 CB TYR A 37 58.014 -13.985 -12.411 1.00 64.22 C ATOM 559 CG TYR A 37 58.676 -14.515 -11.159 1.00 22.51 C ATOM 560 CD1 TYR A 37 57.936 -14.794 -10.020 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.051 -14.727 -11.116 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.546 -15.266 -8.873 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.667 -15.196 -9.974 1.00 42.11 C ATOM 564 CZ TYR A 37 59.911 -15.466 -8.856 1.00 3.33 C ATOM 565 OH TYR A 37 60.523 -15.930 -7.714 1.00 35.44 O ATOM 0 H TYR A 37 58.106 -12.191 -14.398 1.00 71.04 H new ATOM 0 HA TYR A 37 56.850 -12.301 -11.721 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.083 -14.527 -12.576 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.658 -14.190 -13.266 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.867 -14.640 -10.029 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.647 -14.521 -11.993 1.00 34.02 H new ATOM 0 HE1 TYR A 37 57.956 -15.477 -7.993 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.736 -15.350 -9.957 1.00 42.11 H new ATOM 0 HH TYR A 37 60.933 -15.180 -7.235 1.00 35.44 H new ATOM 575 N ASP A 38 58.682 -11.075 -10.637 1.00 70.50 N ATOM 576 CA ASP A 38 59.762 -10.444 -9.881 1.00 10.30 C ATOM 577 C ASP A 38 60.342 -11.437 -8.885 1.00 4.53 C ATOM 578 O ASP A 38 59.590 -12.094 -8.160 1.00 73.13 O ATOM 579 CB ASP A 38 59.255 -9.226 -9.098 1.00 64.12 C ATOM 580 CG ASP A 38 58.714 -8.116 -9.976 1.00 45.13 C ATOM 581 OD1 ASP A 38 57.623 -8.292 -10.549 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.367 -7.056 -10.066 1.00 51.42 O ATOM 0 H ASP A 38 57.758 -10.965 -10.218 1.00 70.50 H new ATOM 0 HA ASP A 38 60.521 -10.124 -10.595 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.472 -9.548 -8.411 1.00 64.12 H new ATOM 0 HB3 ASP A 38 60.070 -8.832 -8.490 1.00 64.12 H new ATOM 587 N GLU A 39 61.666 -11.549 -8.835 1.00 21.24 N ATOM 588 CA GLU A 39 62.314 -12.374 -7.815 1.00 73.35 C ATOM 589 C GLU A 39 61.939 -11.876 -6.423 1.00 61.05 C ATOM 590 O GLU A 39 61.764 -12.661 -5.492 1.00 14.23 O ATOM 591 CB GLU A 39 63.837 -12.348 -7.959 1.00 3.15 C ATOM 592 CG GLU A 39 64.380 -13.090 -9.164 1.00 2.32 C ATOM 593 CD GLU A 39 65.893 -13.051 -9.203 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.455 -11.937 -9.171 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.524 -14.130 -9.255 1.00 61.24 O ATOM 0 H GLU A 39 62.307 -11.086 -9.480 1.00 21.24 H new ATOM 0 HA GLU A 39 61.968 -13.398 -7.952 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.164 -11.310 -8.013 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.279 -12.775 -7.059 1.00 3.15 H new ATOM 0 HG2 GLU A 39 64.042 -14.126 -9.138 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.980 -12.647 -10.076 1.00 2.32 H new ATOM 602 N ALA A 40 61.797 -10.558 -6.299 1.00 41.21 N ATOM 603 CA ALA A 40 61.475 -9.929 -5.025 1.00 41.44 C ATOM 604 C ALA A 40 60.042 -10.225 -4.601 1.00 73.14 C ATOM 605 O ALA A 40 59.722 -10.217 -3.415 1.00 63.31 O ATOM 606 CB ALA A 40 61.694 -8.428 -5.115 1.00 64.54 C ATOM 0 H ALA A 40 61.901 -9.903 -7.074 1.00 41.21 H new ATOM 0 HA ALA A 40 62.139 -10.347 -4.268 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.451 -7.967 -4.158 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.737 -8.227 -5.360 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.052 -8.013 -5.892 1.00 64.54 H new ATOM 612 N LEU A 41 59.181 -10.484 -5.575 1.00 35.01 N ATOM 613 CA LEU A 41 57.784 -10.783 -5.296 1.00 43.03 C ATOM 614 C LEU A 41 57.619 -12.247 -4.924 1.00 41.24 C ATOM 615 O LEU A 41 56.987 -12.578 -3.920 1.00 5.12 O ATOM 616 CB LEU A 41 56.912 -10.456 -6.514 1.00 54.42 C ATOM 617 CG LEU A 41 55.428 -10.819 -6.382 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.778 -10.047 -5.239 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.699 -10.560 -7.695 1.00 50.10 C ATOM 0 H LEU A 41 59.425 -10.493 -6.565 1.00 35.01 H new ATOM 0 HA LEU A 41 57.464 -10.166 -4.456 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.990 -9.388 -6.718 1.00 54.42 H new ATOM 0 HB3 LEU A 41 57.319 -10.977 -7.381 1.00 54.42 H new ATOM 0 HG LEU A 41 55.355 -11.882 -6.151 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.726 -10.322 -5.166 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.282 -10.289 -4.303 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.861 -8.977 -5.429 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.647 -10.823 -7.585 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.784 -9.505 -7.957 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.144 -11.167 -8.484 1.00 50.10 H new ATOM 631 N GLY A 42 58.199 -13.117 -5.736 1.00 60.35 N ATOM 632 CA GLY A 42 58.022 -14.537 -5.541 1.00 65.42 C ATOM 633 C GLY A 42 56.668 -14.987 -6.045 1.00 1.31 C ATOM 634 O GLY A 42 55.965 -14.226 -6.712 1.00 22.32 O ATOM 0 H GLY A 42 58.790 -12.863 -6.528 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.808 -15.081 -6.065 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.119 -14.778 -4.482 1.00 65.42 H new ATOM 638 N TRP A 43 56.297 -16.214 -5.733 1.00 34.01 N ATOM 639 CA TRP A 43 55.004 -16.732 -6.127 1.00 72.13 C ATOM 640 C TRP A 43 54.516 -17.718 -5.077 1.00 1.53 C ATOM 641 O TRP A 43 54.737 -18.930 -5.190 1.00 0.54 O ATOM 642 CB TRP A 43 55.072 -17.394 -7.508 1.00 22.21 C ATOM 643 CG TRP A 43 53.734 -17.527 -8.164 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.074 -18.684 -8.465 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.885 -16.456 -8.597 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.868 -18.394 -9.058 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.730 -17.035 -9.152 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.993 -15.064 -8.570 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.690 -16.270 -9.671 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.963 -14.304 -9.085 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.824 -14.909 -9.630 1.00 72.01 C ATOM 0 H TRP A 43 56.874 -16.870 -5.207 1.00 34.01 H new ATOM 0 HA TRP A 43 54.298 -15.905 -6.198 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.729 -16.809 -8.152 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.521 -18.382 -7.408 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.444 -19.679 -8.267 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.185 -19.081 -9.377 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.869 -14.590 -8.153 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.809 -16.733 -10.091 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 52.036 -13.227 -9.067 1.00 45.00 H new ATOM 0 HH2 TRP A 43 50.034 -14.288 -10.027 1.00 72.01 H new ATOM 662 N PRO A 44 53.856 -17.204 -4.029 1.00 45.41 N ATOM 663 CA PRO A 44 53.447 -18.005 -2.872 1.00 41.22 C ATOM 664 C PRO A 44 52.419 -19.059 -3.247 1.00 43.31 C ATOM 665 O PRO A 44 52.269 -20.072 -2.561 1.00 52.04 O ATOM 666 CB PRO A 44 52.839 -16.985 -1.902 1.00 1.41 C ATOM 667 CG PRO A 44 53.232 -15.641 -2.422 1.00 43.31 C ATOM 668 CD PRO A 44 53.440 -15.798 -3.898 1.00 12.02 C ATOM 0 HA PRO A 44 54.287 -18.553 -2.445 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.754 -17.085 -1.859 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.214 -17.137 -0.890 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.456 -14.904 -2.216 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.143 -15.289 -1.937 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.527 -15.594 -4.458 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.203 -15.115 -4.272 1.00 12.02 H new ATOM 676 N GLU A 45 51.720 -18.810 -4.343 1.00 52.10 N ATOM 677 CA GLU A 45 50.739 -19.750 -4.865 1.00 33.11 C ATOM 678 C GLU A 45 51.397 -21.096 -5.164 1.00 32.45 C ATOM 679 O GLU A 45 50.885 -22.150 -4.791 1.00 53.21 O ATOM 680 CB GLU A 45 50.103 -19.195 -6.139 1.00 63.41 C ATOM 681 CG GLU A 45 49.581 -17.776 -5.999 1.00 44.43 C ATOM 682 CD GLU A 45 48.647 -17.615 -4.823 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.475 -18.031 -4.926 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.082 -17.072 -3.792 1.00 63.33 O ATOM 0 H GLU A 45 51.815 -17.956 -4.893 1.00 52.10 H new ATOM 0 HA GLU A 45 49.965 -19.894 -4.111 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.839 -19.223 -6.943 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.281 -19.846 -6.436 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.423 -17.093 -5.886 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.060 -17.492 -6.914 1.00 44.43 H new ATOM 691 N ASP A 46 52.551 -21.046 -5.816 1.00 54.25 N ATOM 692 CA ASP A 46 53.268 -22.259 -6.190 1.00 30.40 C ATOM 693 C ASP A 46 54.196 -22.702 -5.064 1.00 61.32 C ATOM 694 O ASP A 46 54.559 -23.873 -4.964 1.00 73.23 O ATOM 695 CB ASP A 46 54.064 -22.022 -7.477 1.00 23.20 C ATOM 696 CG ASP A 46 54.719 -23.281 -8.007 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.998 -24.153 -8.540 1.00 44.11 O ATOM 698 OD2 ASP A 46 55.952 -23.402 -7.899 1.00 44.22 O ATOM 0 H ASP A 46 53.011 -20.180 -6.097 1.00 54.25 H new ATOM 0 HA ASP A 46 52.542 -23.053 -6.366 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.399 -21.616 -8.239 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.831 -21.271 -7.290 1.00 23.20 H new ATOM 703 N GLY A 47 54.555 -21.764 -4.200 1.00 73.12 N ATOM 704 CA GLY A 47 55.430 -22.080 -3.088 1.00 12.11 C ATOM 705 C GLY A 47 56.754 -21.349 -3.172 1.00 64.11 C ATOM 706 O GLY A 47 57.667 -21.604 -2.385 1.00 22.42 O ATOM 0 H GLY A 47 54.257 -20.790 -4.248 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.933 -21.821 -2.153 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.612 -23.155 -3.066 1.00 12.11 H new ATOM 710 N ILE A 48 56.856 -20.440 -4.130 1.00 0.01 N ATOM 711 CA ILE A 48 58.061 -19.649 -4.319 1.00 25.24 C ATOM 712 C ILE A 48 58.058 -18.465 -3.357 1.00 62.01 C ATOM 713 O ILE A 48 57.207 -17.582 -3.459 1.00 62.43 O ATOM 714 CB ILE A 48 58.160 -19.122 -5.769 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.906 -20.249 -6.780 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.520 -18.486 -6.012 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.902 -21.386 -6.703 1.00 43.03 C ATOM 0 H ILE A 48 56.110 -20.231 -4.794 1.00 0.01 H new ATOM 0 HA ILE A 48 58.920 -20.290 -4.120 1.00 25.24 H new ATOM 0 HB ILE A 48 57.391 -18.362 -5.907 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.904 -20.647 -6.620 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.926 -19.831 -7.786 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.573 -18.120 -7.037 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.661 -17.654 -5.322 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.302 -19.227 -5.851 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.652 -22.140 -7.449 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.905 -21.005 -6.894 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.867 -21.833 -5.710 1.00 43.03 H new ATOM 729 N ALA A 49 59.001 -18.452 -2.424 1.00 31.20 N ATOM 730 CA ALA A 49 59.060 -17.403 -1.415 1.00 5.11 C ATOM 731 C ALA A 49 59.606 -16.104 -1.998 1.00 32.55 C ATOM 732 O ALA A 49 60.399 -16.118 -2.946 1.00 44.13 O ATOM 733 CB ALA A 49 59.907 -17.854 -0.237 1.00 50.42 C ATOM 0 H ALA A 49 59.735 -19.156 -2.345 1.00 31.20 H new ATOM 0 HA ALA A 49 58.045 -17.211 -1.067 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.943 -17.061 0.510 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.469 -18.749 0.205 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.918 -18.076 -0.579 1.00 50.42 H new ATOM 739 N ALA A 50 59.181 -14.985 -1.433 1.00 43.33 N ATOM 740 CA ALA A 50 59.642 -13.684 -1.883 1.00 31.42 C ATOM 741 C ALA A 50 61.144 -13.560 -1.676 1.00 65.35 C ATOM 742 O ALA A 50 61.634 -13.629 -0.547 1.00 33.24 O ATOM 743 CB ALA A 50 58.906 -12.578 -1.144 1.00 12.13 C ATOM 0 H ALA A 50 58.516 -14.953 -0.660 1.00 43.33 H new ATOM 0 HA ALA A 50 59.430 -13.585 -2.948 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.262 -11.608 -1.492 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.836 -12.662 -1.336 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.091 -12.670 -0.074 1.00 12.13 H new ATOM 749 N GLY A 51 61.874 -13.394 -2.763 1.00 23.11 N ATOM 750 CA GLY A 51 63.313 -13.314 -2.675 1.00 51.21 C ATOM 751 C GLY A 51 63.991 -14.554 -3.219 1.00 12.22 C ATOM 752 O GLY A 51 65.220 -14.621 -3.256 1.00 44.15 O ATOM 0 H GLY A 51 61.496 -13.313 -3.707 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.661 -12.441 -3.227 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.604 -13.170 -1.634 1.00 51.21 H new ATOM 756 N THR A 52 63.199 -15.545 -3.631 1.00 34.23 N ATOM 757 CA THR A 52 63.750 -16.737 -4.266 1.00 72.11 C ATOM 758 C THR A 52 64.370 -16.377 -5.615 1.00 32.45 C ATOM 759 O THR A 52 63.693 -15.849 -6.500 1.00 11.25 O ATOM 760 CB THR A 52 62.675 -17.824 -4.469 1.00 4.53 C ATOM 761 OG1 THR A 52 62.037 -18.116 -3.222 1.00 61.21 O ATOM 762 CG2 THR A 52 63.282 -19.099 -5.038 1.00 63.31 C ATOM 0 H THR A 52 62.183 -15.544 -3.536 1.00 34.23 H new ATOM 0 HA THR A 52 64.517 -17.136 -3.602 1.00 72.11 H new ATOM 0 HB THR A 52 61.941 -17.444 -5.180 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.588 -17.312 -2.888 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.500 -19.847 -5.170 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.744 -18.883 -6.001 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.037 -19.481 -4.351 1.00 63.31 H new ATOM 770 N ARG A 53 65.660 -16.651 -5.751 1.00 11.11 N ATOM 771 CA ARG A 53 66.397 -16.305 -6.958 1.00 1.42 C ATOM 772 C ARG A 53 66.090 -17.276 -8.094 1.00 24.11 C ATOM 773 O ARG A 53 65.716 -18.428 -7.861 1.00 33.21 O ATOM 774 CB ARG A 53 67.898 -16.296 -6.671 1.00 42.33 C ATOM 775 CG ARG A 53 68.301 -15.278 -5.618 1.00 70.11 C ATOM 776 CD ARG A 53 68.155 -13.851 -6.123 1.00 62.02 C ATOM 777 NE ARG A 53 69.257 -13.465 -7.000 1.00 73.44 N ATOM 778 CZ ARG A 53 69.900 -12.302 -6.913 1.00 34.42 C ATOM 779 NH1 ARG A 53 69.517 -11.394 -6.023 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.928 -12.047 -7.713 1.00 20.33 N ATOM 0 H ARG A 53 66.220 -17.115 -5.036 1.00 11.11 H new ATOM 0 HA ARG A 53 66.082 -15.309 -7.270 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.204 -17.289 -6.343 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.437 -16.086 -7.595 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.686 -15.413 -4.728 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.335 -15.454 -5.320 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.212 -13.752 -6.661 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.111 -13.169 -5.274 1.00 62.02 H new ATOM 0 HE ARG A 53 69.551 -14.124 -7.721 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.729 -11.587 -5.405 1.00 5.03 H new ATOM 0 HH12 ARG A 53 70.011 -10.504 -5.958 1.00 5.03 H new ATOM 0 HH21 ARG A 53 71.227 -12.743 -8.396 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.419 -11.155 -7.644 1.00 20.33 H new ATOM 794 N TRP A 54 66.268 -16.797 -9.318 1.00 75.02 N ATOM 795 CA TRP A 54 66.019 -17.585 -10.523 1.00 4.51 C ATOM 796 C TRP A 54 66.888 -18.846 -10.556 1.00 51.50 C ATOM 797 O TRP A 54 66.551 -19.830 -11.220 1.00 53.22 O ATOM 798 CB TRP A 54 66.295 -16.720 -11.756 1.00 14.02 C ATOM 799 CG TRP A 54 65.709 -17.255 -13.030 1.00 2.34 C ATOM 800 CD1 TRP A 54 66.389 -17.755 -14.104 1.00 3.31 C ATOM 801 CD2 TRP A 54 64.317 -17.332 -13.361 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.505 -18.135 -15.085 1.00 35.15 N ATOM 803 CE2 TRP A 54 64.227 -17.886 -14.651 1.00 51.34 C ATOM 804 CE3 TRP A 54 63.141 -16.987 -12.691 1.00 75.45 C ATOM 805 CZ2 TRP A 54 63.007 -18.103 -15.281 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.931 -17.203 -13.319 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.871 -17.756 -14.602 1.00 44.10 C ATOM 0 H TRP A 54 66.590 -15.848 -9.506 1.00 75.02 H new ATOM 0 HA TRP A 54 64.977 -17.904 -10.521 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.899 -15.720 -11.580 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.373 -16.619 -11.880 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.464 -17.839 -14.172 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.757 -18.536 -15.988 1.00 35.15 H new ATOM 0 HE3 TRP A 54 63.178 -16.559 -11.700 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.958 -18.530 -16.272 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 61.015 -16.940 -12.811 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.909 -17.912 -15.066 1.00 44.10 H new ATOM 818 N ASP A 55 68.002 -18.807 -9.830 1.00 34.41 N ATOM 819 CA ASP A 55 68.914 -19.944 -9.749 1.00 13.53 C ATOM 820 C ASP A 55 68.336 -21.044 -8.870 1.00 43.20 C ATOM 821 O ASP A 55 68.600 -22.229 -9.080 1.00 13.14 O ATOM 822 CB ASP A 55 70.271 -19.518 -9.182 1.00 34.21 C ATOM 823 CG ASP A 55 71.005 -18.546 -10.074 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.548 -18.974 -11.110 1.00 31.21 O ATOM 825 OD2 ASP A 55 71.057 -17.343 -9.735 1.00 31.22 O ATOM 0 H ASP A 55 68.296 -17.995 -9.287 1.00 34.41 H new ATOM 0 HA ASP A 55 69.048 -20.324 -10.762 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.123 -19.063 -8.203 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.890 -20.403 -9.032 1.00 34.21 H new ATOM 830 N ASP A 56 67.551 -20.644 -7.881 1.00 74.00 N ATOM 831 CA ASP A 56 66.967 -21.590 -6.938 1.00 13.50 C ATOM 832 C ASP A 56 65.675 -22.159 -7.494 1.00 35.01 C ATOM 833 O ASP A 56 65.309 -23.299 -7.206 1.00 73.34 O ATOM 834 CB ASP A 56 66.692 -20.921 -5.589 1.00 10.43 C ATOM 835 CG ASP A 56 67.956 -20.462 -4.891 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.680 -21.314 -4.338 1.00 73.21 O ATOM 837 OD2 ASP A 56 68.225 -19.242 -4.879 1.00 45.42 O ATOM 0 H ASP A 56 67.303 -19.670 -7.709 1.00 74.00 H new ATOM 0 HA ASP A 56 67.683 -22.398 -6.788 1.00 13.50 H new ATOM 0 HB2 ASP A 56 66.035 -20.064 -5.741 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.160 -21.620 -4.944 1.00 10.43 H new ATOM 842 N ILE A 57 64.986 -21.351 -8.286 1.00 54.25 N ATOM 843 CA ILE A 57 63.745 -21.762 -8.921 1.00 24.31 C ATOM 844 C ILE A 57 63.985 -22.953 -9.842 1.00 43.24 C ATOM 845 O ILE A 57 64.863 -22.905 -10.709 1.00 14.33 O ATOM 846 CB ILE A 57 63.118 -20.602 -9.724 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.792 -19.434 -8.789 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.868 -21.065 -10.465 1.00 13.22 C ATOM 849 CD1 ILE A 57 62.260 -18.215 -9.507 1.00 14.05 C ATOM 0 H ILE A 57 65.271 -20.396 -8.505 1.00 54.25 H new ATOM 0 HA ILE A 57 63.051 -22.052 -8.132 1.00 24.31 H new ATOM 0 HB ILE A 57 63.840 -20.265 -10.468 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.057 -19.762 -8.054 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.692 -19.158 -8.239 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.445 -20.229 -11.023 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.130 -21.867 -11.155 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.134 -21.430 -9.747 1.00 13.22 H new ATOM 0 HD11 ILE A 57 62.051 -17.428 -8.782 1.00 14.05 H new ATOM 0 HD12 ILE A 57 63.002 -17.861 -10.223 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.342 -18.475 -10.035 1.00 14.05 H new ATOM 861 N PRO A 58 63.211 -24.036 -9.648 1.00 63.44 N ATOM 862 CA PRO A 58 63.307 -25.250 -10.459 1.00 3.44 C ATOM 863 C PRO A 58 63.394 -24.947 -11.949 1.00 51.00 C ATOM 864 O PRO A 58 62.593 -24.187 -12.488 1.00 45.01 O ATOM 865 CB PRO A 58 62.003 -25.978 -10.143 1.00 24.00 C ATOM 866 CG PRO A 58 61.672 -25.569 -8.753 1.00 73.11 C ATOM 867 CD PRO A 58 62.171 -24.157 -8.603 1.00 50.42 C ATOM 0 HA PRO A 58 64.205 -25.825 -10.233 1.00 3.44 H new ATOM 0 HB2 PRO A 58 61.213 -25.695 -10.838 1.00 24.00 H new ATOM 0 HB3 PRO A 58 62.124 -27.059 -10.220 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.598 -25.624 -8.576 1.00 73.11 H new ATOM 0 HG3 PRO A 58 62.148 -26.230 -8.029 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.370 -23.432 -8.750 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.581 -23.981 -7.608 1.00 50.42 H new ATOM 875 N ASP A 59 64.376 -25.534 -12.613 1.00 25.01 N ATOM 876 CA ASP A 59 64.570 -25.313 -14.043 1.00 41.44 C ATOM 877 C ASP A 59 63.490 -26.012 -14.863 1.00 34.41 C ATOM 878 O ASP A 59 63.444 -25.897 -16.088 1.00 72.22 O ATOM 879 CB ASP A 59 65.966 -25.764 -14.469 1.00 1.55 C ATOM 880 CG ASP A 59 67.045 -24.894 -13.857 1.00 42.44 C ATOM 881 OD1 ASP A 59 67.268 -23.775 -14.364 1.00 11.32 O ATOM 882 OD2 ASP A 59 67.654 -25.308 -12.848 1.00 4.21 O ATOM 0 H ASP A 59 65.053 -26.168 -12.188 1.00 25.01 H new ATOM 0 HA ASP A 59 64.484 -24.244 -14.236 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.121 -26.801 -14.170 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.044 -25.731 -15.556 1.00 1.55 H new ATOM 887 N ASP A 60 62.624 -26.736 -14.171 1.00 32.43 N ATOM 888 CA ASP A 60 61.472 -27.373 -14.791 1.00 54.13 C ATOM 889 C ASP A 60 60.202 -26.585 -14.486 1.00 24.24 C ATOM 890 O ASP A 60 59.109 -26.963 -14.911 1.00 12.35 O ATOM 891 CB ASP A 60 61.318 -28.810 -14.282 1.00 23.23 C ATOM 892 CG ASP A 60 61.104 -28.869 -12.783 1.00 23.22 C ATOM 893 OD1 ASP A 60 62.101 -28.764 -12.034 1.00 70.35 O ATOM 894 OD2 ASP A 60 59.944 -29.012 -12.345 1.00 42.45 O ATOM 0 H ASP A 60 62.699 -26.898 -13.167 1.00 32.43 H new ATOM 0 HA ASP A 60 61.631 -27.392 -15.869 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.475 -29.283 -14.786 1.00 23.23 H new ATOM 0 HB3 ASP A 60 62.208 -29.383 -14.543 1.00 23.23 H new ATOM 899 N TRP A 61 60.352 -25.483 -13.758 1.00 5.24 N ATOM 900 CA TRP A 61 59.212 -24.676 -13.335 1.00 42.43 C ATOM 901 C TRP A 61 58.518 -24.065 -14.541 1.00 33.21 C ATOM 902 O TRP A 61 59.156 -23.446 -15.388 1.00 22.24 O ATOM 903 CB TRP A 61 59.673 -23.582 -12.369 1.00 54.42 C ATOM 904 CG TRP A 61 58.565 -22.728 -11.834 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.567 -23.112 -10.985 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.353 -21.338 -12.100 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.747 -22.047 -10.710 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.209 -20.945 -11.382 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.022 -20.387 -12.876 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.719 -19.640 -11.417 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.535 -19.095 -12.911 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.395 -18.731 -12.186 1.00 25.01 C ATOM 0 H TRP A 61 61.256 -25.127 -13.447 1.00 5.24 H new ATOM 0 HA TRP A 61 58.499 -25.319 -12.819 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.194 -24.048 -11.532 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.395 -22.944 -12.879 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.441 -24.108 -10.588 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.927 -22.071 -10.104 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.904 -20.658 -13.438 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.839 -19.357 -10.858 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.043 -18.353 -13.509 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.041 -17.712 -12.234 1.00 25.01 H new ATOM 923 N SER A 62 57.215 -24.267 -14.629 1.00 54.20 N ATOM 924 CA SER A 62 56.447 -23.750 -15.743 1.00 3.30 C ATOM 925 C SER A 62 55.550 -22.607 -15.277 1.00 13.23 C ATOM 926 O SER A 62 55.136 -22.570 -14.118 1.00 63.43 O ATOM 927 CB SER A 62 55.620 -24.874 -16.374 1.00 63.43 C ATOM 928 OG SER A 62 56.374 -26.078 -16.440 1.00 64.32 O ATOM 0 H SER A 62 56.669 -24.786 -13.941 1.00 54.20 H new ATOM 0 HA SER A 62 57.129 -23.360 -16.499 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.715 -25.038 -15.790 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.304 -24.582 -17.375 1.00 63.43 H new ATOM 0 HG SER A 62 55.828 -26.784 -16.844 1.00 64.32 H new ATOM 934 N CYS A 63 55.277 -21.674 -16.182 1.00 24.15 N ATOM 935 CA CYS A 63 54.457 -20.514 -15.878 1.00 63.43 C ATOM 936 C CYS A 63 53.075 -20.953 -15.410 1.00 24.51 C ATOM 937 O CYS A 63 52.350 -21.622 -16.144 1.00 44.14 O ATOM 938 CB CYS A 63 54.337 -19.618 -17.109 1.00 63.12 C ATOM 939 SG CYS A 63 53.556 -18.024 -16.781 1.00 13.20 S ATOM 0 H CYS A 63 55.618 -21.703 -17.143 1.00 24.15 H new ATOM 0 HA CYS A 63 54.933 -19.949 -15.077 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.332 -19.446 -17.519 1.00 63.12 H new ATOM 0 HB3 CYS A 63 53.763 -20.142 -17.873 1.00 63.12 H new ATOM 0 HG CYS A 63 52.288 -18.096 -17.061 1.00 13.20 H new ATOM 944 N PRO A 64 52.693 -20.572 -14.183 1.00 12.23 N ATOM 945 CA PRO A 64 51.445 -21.026 -13.549 1.00 52.51 C ATOM 946 C PRO A 64 50.171 -20.623 -14.300 1.00 52.22 C ATOM 947 O PRO A 64 49.076 -21.065 -13.949 1.00 21.33 O ATOM 948 CB PRO A 64 51.476 -20.359 -12.166 1.00 2.43 C ATOM 949 CG PRO A 64 52.893 -19.960 -11.945 1.00 63.34 C ATOM 950 CD PRO A 64 53.466 -19.684 -13.302 1.00 75.23 C ATOM 0 HA PRO A 64 51.405 -22.115 -13.527 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.815 -19.493 -12.134 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.137 -21.047 -11.391 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.954 -19.076 -11.310 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.447 -20.753 -11.442 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.349 -18.637 -13.583 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.532 -19.907 -13.341 1.00 75.23 H new ATOM 958 N ASP A 65 50.300 -19.794 -15.331 1.00 62.43 N ATOM 959 CA ASP A 65 49.126 -19.325 -16.060 1.00 4.14 C ATOM 960 C ASP A 65 48.898 -20.122 -17.349 1.00 73.14 C ATOM 961 O ASP A 65 47.756 -20.323 -17.759 1.00 75.43 O ATOM 962 CB ASP A 65 49.241 -17.823 -16.377 1.00 75.11 C ATOM 963 CG ASP A 65 49.753 -17.536 -17.778 1.00 74.01 C ATOM 964 OD1 ASP A 65 50.975 -17.668 -18.008 1.00 62.34 O ATOM 965 OD2 ASP A 65 48.936 -17.174 -18.646 1.00 12.44 O ATOM 0 H ASP A 65 51.191 -19.437 -15.677 1.00 62.43 H new ATOM 0 HA ASP A 65 48.263 -19.484 -15.413 1.00 4.14 H new ATOM 0 HB2 ASP A 65 48.263 -17.358 -16.254 1.00 75.11 H new ATOM 0 HB3 ASP A 65 49.909 -17.357 -15.652 1.00 75.11 H new ATOM 970 N CYS A 66 49.973 -20.592 -17.977 1.00 24.23 N ATOM 971 CA CYS A 66 49.858 -21.247 -19.282 1.00 44.35 C ATOM 972 C CYS A 66 50.676 -22.536 -19.365 1.00 61.50 C ATOM 973 O CYS A 66 50.549 -23.299 -20.324 1.00 33.10 O ATOM 974 CB CYS A 66 50.305 -20.280 -20.379 1.00 11.53 C ATOM 975 SG CYS A 66 51.913 -19.516 -20.065 1.00 2.42 S ATOM 0 H CYS A 66 50.923 -20.534 -17.611 1.00 24.23 H new ATOM 0 HA CYS A 66 48.812 -21.520 -19.420 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.346 -20.815 -21.328 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.555 -19.496 -20.487 1.00 11.53 H new ATOM 0 HG CYS A 66 51.860 -18.831 -18.961 1.00 2.42 H new ATOM 980 N GLY A 67 51.517 -22.771 -18.369 1.00 11.35 N ATOM 981 CA GLY A 67 52.351 -23.957 -18.354 1.00 2.21 C ATOM 982 C GLY A 67 53.548 -23.844 -19.278 1.00 45.15 C ATOM 983 O GLY A 67 54.182 -24.847 -19.604 1.00 12.15 O ATOM 0 H GLY A 67 51.638 -22.156 -17.564 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.698 -24.139 -17.337 1.00 2.21 H new ATOM 0 HA3 GLY A 67 51.753 -24.820 -18.645 1.00 2.21 H new ATOM 987 N ALA A 68 53.852 -22.624 -19.715 1.00 3.21 N ATOM 988 CA ALA A 68 55.051 -22.379 -20.512 1.00 51.33 C ATOM 989 C ALA A 68 56.288 -22.678 -19.678 1.00 24.02 C ATOM 990 O ALA A 68 56.255 -22.543 -18.461 1.00 24.41 O ATOM 991 CB ALA A 68 55.079 -20.945 -21.017 1.00 22.41 C ATOM 0 H ALA A 68 53.288 -21.794 -19.532 1.00 3.21 H new ATOM 0 HA ALA A 68 55.039 -23.038 -21.380 1.00 51.33 H new ATOM 0 HB1 ALA A 68 55.981 -20.785 -21.608 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.201 -20.760 -21.637 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.075 -20.260 -20.169 1.00 22.41 H new ATOM 997 N ALA A 69 57.374 -23.064 -20.317 1.00 63.43 N ATOM 998 CA ALA A 69 58.543 -23.531 -19.590 1.00 14.25 C ATOM 999 C ALA A 69 59.324 -22.367 -18.989 1.00 45.14 C ATOM 1000 O ALA A 69 59.108 -21.209 -19.347 1.00 64.45 O ATOM 1001 CB ALA A 69 59.431 -24.359 -20.501 1.00 43.25 C ATOM 0 H ALA A 69 57.474 -23.065 -21.332 1.00 63.43 H new ATOM 0 HA ALA A 69 58.202 -24.159 -18.767 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.303 -24.703 -19.945 1.00 43.25 H new ATOM 0 HB2 ALA A 69 58.873 -25.220 -20.869 1.00 43.25 H new ATOM 0 HB3 ALA A 69 59.756 -23.750 -21.344 1.00 43.25 H new ATOM 1007 N LYS A 70 60.238 -22.685 -18.079 1.00 44.04 N ATOM 1008 CA LYS A 70 61.076 -21.680 -17.433 1.00 2.40 C ATOM 1009 C LYS A 70 61.899 -20.937 -18.486 1.00 33.52 C ATOM 1010 O LYS A 70 62.101 -19.723 -18.408 1.00 53.10 O ATOM 1011 CB LYS A 70 62.000 -22.367 -16.420 1.00 2.20 C ATOM 1012 CG LYS A 70 62.693 -21.419 -15.461 1.00 4.42 C ATOM 1013 CD LYS A 70 63.796 -22.121 -14.686 1.00 65.43 C ATOM 1014 CE LYS A 70 64.569 -21.156 -13.802 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.707 -21.818 -13.110 1.00 61.24 N ATOM 0 H LYS A 70 60.419 -23.640 -17.769 1.00 44.04 H new ATOM 0 HA LYS A 70 60.448 -20.958 -16.911 1.00 2.40 H new ATOM 0 HB2 LYS A 70 61.417 -23.085 -15.844 1.00 2.20 H new ATOM 0 HB3 LYS A 70 62.757 -22.933 -16.963 1.00 2.20 H new ATOM 0 HG2 LYS A 70 63.114 -20.581 -16.016 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.963 -21.006 -14.765 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.362 -22.909 -14.071 1.00 65.43 H new ATOM 0 HD3 LYS A 70 64.481 -22.602 -15.384 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.944 -20.332 -14.408 1.00 20.30 H new ATOM 0 HE3 LYS A 70 63.896 -20.726 -13.061 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.332 -21.095 -12.699 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.343 -22.432 -12.353 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.243 -22.391 -13.793 1.00 61.24 H new ATOM 1029 N SER A 71 62.330 -21.678 -19.501 1.00 24.44 N ATOM 1030 CA SER A 71 63.126 -21.124 -20.588 1.00 74.02 C ATOM 1031 C SER A 71 62.320 -20.116 -21.410 1.00 74.23 C ATOM 1032 O SER A 71 62.885 -19.367 -22.209 1.00 30.43 O ATOM 1033 CB SER A 71 63.639 -22.250 -21.495 1.00 35.23 C ATOM 1034 OG SER A 71 64.487 -21.747 -22.515 1.00 35.24 O ATOM 0 H SER A 71 62.138 -22.676 -19.593 1.00 24.44 H new ATOM 0 HA SER A 71 63.975 -20.600 -20.149 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.181 -22.982 -20.897 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.794 -22.770 -21.946 1.00 35.23 H new ATOM 0 HG SER A 71 64.240 -20.821 -22.719 1.00 35.24 H new ATOM 1040 N ASP A 72 61.006 -20.092 -21.210 1.00 22.41 N ATOM 1041 CA ASP A 72 60.144 -19.163 -21.931 1.00 53.55 C ATOM 1042 C ASP A 72 60.088 -17.819 -21.218 1.00 72.53 C ATOM 1043 O ASP A 72 59.358 -16.920 -21.627 1.00 51.33 O ATOM 1044 CB ASP A 72 58.725 -19.722 -22.089 1.00 31.01 C ATOM 1045 CG ASP A 72 58.651 -20.900 -23.040 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.188 -20.801 -24.162 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.034 -21.927 -22.682 1.00 14.24 O ATOM 0 H ASP A 72 60.516 -20.703 -20.557 1.00 22.41 H new ATOM 0 HA ASP A 72 60.572 -19.026 -22.924 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.351 -20.028 -21.112 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.067 -18.931 -22.449 1.00 31.01 H new ATOM 1052 N PHE A 73 60.844 -17.690 -20.135 1.00 54.42 N ATOM 1053 CA PHE A 73 60.947 -16.417 -19.437 1.00 32.03 C ATOM 1054 C PHE A 73 62.173 -15.642 -19.908 1.00 41.43 C ATOM 1055 O PHE A 73 63.226 -16.227 -20.173 1.00 33.41 O ATOM 1056 CB PHE A 73 61.013 -16.627 -17.922 1.00 12.00 C ATOM 1057 CG PHE A 73 59.718 -17.081 -17.310 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.339 -18.412 -17.354 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.881 -16.170 -16.685 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.150 -18.828 -16.789 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.692 -16.580 -16.117 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.326 -17.909 -16.169 1.00 32.20 C ATOM 0 H PHE A 73 61.391 -18.446 -19.724 1.00 54.42 H new ATOM 0 HA PHE A 73 60.053 -15.837 -19.669 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.785 -17.364 -17.701 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.319 -15.694 -17.449 1.00 12.00 H new ATOM 0 HD1 PHE A 73 59.982 -19.134 -17.836 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.162 -15.128 -16.642 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.865 -19.869 -16.832 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.048 -15.861 -15.632 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.396 -18.231 -15.725 1.00 32.20 H new ATOM 1072 N GLU A 74 62.034 -14.327 -19.999 1.00 11.30 N ATOM 1073 CA GLU A 74 63.132 -13.464 -20.405 1.00 71.52 C ATOM 1074 C GLU A 74 63.569 -12.597 -19.235 1.00 63.42 C ATOM 1075 O GLU A 74 62.749 -12.216 -18.390 1.00 24.10 O ATOM 1076 CB GLU A 74 62.726 -12.573 -21.586 1.00 55.11 C ATOM 1077 CG GLU A 74 61.533 -11.667 -21.295 1.00 15.31 C ATOM 1078 CD GLU A 74 61.298 -10.635 -22.379 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.348 -10.997 -23.573 1.00 33.13 O ATOM 1080 OE2 GLU A 74 61.058 -9.453 -22.046 1.00 22.12 O ATOM 0 H GLU A 74 61.165 -13.833 -19.795 1.00 11.30 H new ATOM 0 HA GLU A 74 63.962 -14.096 -20.721 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.577 -11.956 -21.872 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.489 -13.206 -22.441 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.638 -12.279 -21.182 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.693 -11.158 -20.344 1.00 15.31 H new ATOM 1087 N MET A 75 64.860 -12.294 -19.193 1.00 1.12 N ATOM 1088 CA MET A 75 65.439 -11.540 -18.095 1.00 0.12 C ATOM 1089 C MET A 75 65.253 -10.045 -18.304 1.00 41.40 C ATOM 1090 O MET A 75 65.811 -9.456 -19.234 1.00 64.03 O ATOM 1091 CB MET A 75 66.930 -11.862 -17.951 1.00 65.23 C ATOM 1092 CG MET A 75 67.597 -11.150 -16.782 1.00 22.24 C ATOM 1093 SD MET A 75 69.374 -11.444 -16.700 1.00 62.41 S ATOM 1094 CE MET A 75 69.414 -13.214 -16.416 1.00 41.21 C ATOM 0 H MET A 75 65.529 -12.563 -19.915 1.00 1.12 H new ATOM 0 HA MET A 75 64.922 -11.830 -17.180 1.00 0.12 H new ATOM 0 HB2 MET A 75 67.050 -12.938 -17.827 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.443 -11.588 -18.873 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.415 -10.078 -16.865 1.00 22.24 H new ATOM 0 HG3 MET A 75 67.136 -11.481 -15.851 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.404 -13.504 -16.063 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.669 -13.479 -15.665 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.193 -13.737 -17.347 1.00 41.21 H new ATOM 1104 N VAL A 76 64.457 -9.445 -17.440 1.00 52.24 N ATOM 1105 CA VAL A 76 64.235 -8.013 -17.453 1.00 50.44 C ATOM 1106 C VAL A 76 64.940 -7.375 -16.265 1.00 33.40 C ATOM 1107 O VAL A 76 64.618 -7.667 -15.109 1.00 12.34 O ATOM 1108 CB VAL A 76 62.729 -7.673 -17.392 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.504 -6.174 -17.517 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.962 -8.431 -18.465 1.00 70.33 C ATOM 0 H VAL A 76 63.945 -9.938 -16.708 1.00 52.24 H new ATOM 0 HA VAL A 76 64.638 -7.620 -18.386 1.00 50.44 H new ATOM 0 HB VAL A 76 62.350 -7.987 -16.420 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.436 -5.961 -17.471 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.012 -5.661 -16.700 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.903 -5.824 -18.469 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.904 -8.177 -18.404 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.345 -8.157 -19.448 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.087 -9.503 -18.313 1.00 70.33 H new