USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=11 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 176:sc= 1.17 USER MOD Set 1.2: A 32 GLN : amide:sc= -1.32 K(o=3.7,f=2.1) USER MOD Set 1.3: A 33 CYS SG : rot 156:sc= 2.43 USER MOD Set 1.4: A 63 CYS SG : rot 69:sc= -0.704! USER MOD Set 1.5: A 66 CYS SG : rot -123:sc= 2.17 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -130:sc= -0.35 USER MOD Single : A 52 THR OG1 : rot 79:sc= -0.105 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 2.47 (180deg=2.23) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -123:sc= -1.15 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.668 -7.365 -7.784 1.00 42.41 N ATOM 351 CA TYR A 25 66.216 -8.661 -8.248 1.00 12.14 C ATOM 352 C TYR A 25 65.773 -8.552 -9.696 1.00 32.30 C ATOM 353 O TYR A 25 65.582 -7.446 -10.211 1.00 32.03 O ATOM 354 CB TYR A 25 65.083 -9.195 -7.369 1.00 42.40 C ATOM 355 CG TYR A 25 65.559 -9.816 -6.070 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.915 -11.156 -6.010 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.649 -9.063 -4.908 1.00 5.11 C ATOM 358 CE1 TYR A 25 66.351 -11.728 -4.829 1.00 74.12 C ATOM 359 CE2 TYR A 25 66.084 -9.628 -3.722 1.00 35.34 C ATOM 360 CZ TYR A 25 66.432 -10.961 -3.689 1.00 72.10 C ATOM 361 OH TYR A 25 66.869 -11.528 -2.514 1.00 54.31 O ATOM 0 HA TYR A 25 67.042 -9.369 -8.180 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.397 -8.379 -7.141 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.519 -9.939 -7.931 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.850 -11.763 -6.901 1.00 12.22 H new ATOM 0 HD2 TYR A 25 65.375 -8.019 -4.930 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.627 -12.772 -4.801 1.00 74.12 H new ATOM 0 HE2 TYR A 25 66.150 -9.027 -2.827 1.00 35.34 H new ATOM 0 HH TYR A 25 66.869 -10.852 -1.805 1.00 54.31 H new ATOM 371 N LYS A 26 65.659 -9.680 -10.369 1.00 31.42 N ATOM 372 CA LYS A 26 65.304 -9.675 -11.775 1.00 10.43 C ATOM 373 C LYS A 26 63.839 -10.063 -11.948 1.00 64.22 C ATOM 374 O LYS A 26 63.318 -10.916 -11.227 1.00 33.23 O ATOM 375 CB LYS A 26 66.191 -10.645 -12.565 1.00 44.31 C ATOM 376 CG LYS A 26 67.685 -10.572 -12.244 1.00 40.14 C ATOM 377 CD LYS A 26 68.325 -9.238 -12.626 1.00 14.02 C ATOM 378 CE LYS A 26 68.506 -8.336 -11.414 1.00 14.41 C ATOM 379 NZ LYS A 26 69.492 -7.247 -11.653 1.00 2.34 N ATOM 0 H LYS A 26 65.806 -10.606 -9.968 1.00 31.42 H new ATOM 0 HA LYS A 26 65.459 -8.667 -12.161 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.845 -11.662 -12.379 1.00 44.31 H new ATOM 0 HB3 LYS A 26 66.055 -10.452 -13.629 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.828 -10.743 -11.177 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.201 -11.377 -12.768 1.00 40.14 H new ATOM 0 HD2 LYS A 26 69.293 -9.419 -13.093 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.703 -8.734 -13.366 1.00 14.02 H new ATOM 0 HE2 LYS A 26 67.545 -7.898 -11.145 1.00 14.41 H new ATOM 0 HE3 LYS A 26 68.832 -8.936 -10.564 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 69.578 -6.662 -10.797 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.418 -7.661 -11.883 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.171 -6.655 -12.446 1.00 2.34 H new ATOM 393 N LEU A 27 63.181 -9.423 -12.897 1.00 10.35 N ATOM 394 CA LEU A 27 61.812 -9.752 -13.232 1.00 63.42 C ATOM 395 C LEU A 27 61.799 -10.533 -14.539 1.00 12.52 C ATOM 396 O LEU A 27 62.175 -10.018 -15.590 1.00 23.11 O ATOM 397 CB LEU A 27 60.973 -8.466 -13.334 1.00 14.35 C ATOM 398 CG LEU A 27 59.458 -8.651 -13.517 1.00 74.43 C ATOM 399 CD1 LEU A 27 58.719 -7.410 -13.044 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.112 -8.929 -14.973 1.00 64.32 C ATOM 0 H LEU A 27 63.579 -8.666 -13.453 1.00 10.35 H new ATOM 0 HA LEU A 27 61.370 -10.371 -12.451 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.139 -7.877 -12.432 1.00 14.35 H new ATOM 0 HB3 LEU A 27 61.349 -7.878 -14.171 1.00 14.35 H new ATOM 0 HG LEU A 27 59.149 -9.508 -12.919 1.00 74.43 H new ATOM 0 HD11 LEU A 27 57.647 -7.552 -13.178 1.00 23.04 H new ATOM 0 HD12 LEU A 27 58.933 -7.239 -11.989 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.046 -6.548 -13.625 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.034 -9.056 -15.073 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.438 -8.092 -15.591 1.00 64.32 H new ATOM 0 HD23 LEU A 27 59.616 -9.839 -15.299 1.00 64.32 H new ATOM 412 N PHE A 28 61.391 -11.782 -14.464 1.00 1.00 N ATOM 413 CA PHE A 28 61.356 -12.645 -15.625 1.00 50.25 C ATOM 414 C PHE A 28 59.963 -12.670 -16.227 1.00 32.34 C ATOM 415 O PHE A 28 58.995 -13.074 -15.586 1.00 14.13 O ATOM 416 CB PHE A 28 61.824 -14.054 -15.259 1.00 13.43 C ATOM 417 CG PHE A 28 63.292 -14.116 -14.953 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.768 -13.770 -13.699 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.197 -14.502 -15.928 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.120 -13.813 -13.421 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.551 -14.546 -15.655 1.00 45.12 C ATOM 422 CZ PHE A 28 66.013 -14.199 -14.400 1.00 30.44 C ATOM 0 H PHE A 28 61.076 -12.226 -13.601 1.00 1.00 H new ATOM 0 HA PHE A 28 62.040 -12.248 -16.375 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.262 -14.406 -14.394 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.600 -14.732 -16.082 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.074 -13.463 -12.930 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.841 -14.771 -16.911 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.478 -13.545 -12.438 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.247 -14.851 -16.422 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.071 -14.230 -14.185 1.00 30.44 H new ATOM 432 N ARG A 29 59.873 -12.219 -17.463 1.00 72.21 N ATOM 433 CA ARG A 29 58.600 -12.117 -18.152 1.00 15.21 C ATOM 434 C ARG A 29 58.446 -13.268 -19.137 1.00 74.30 C ATOM 435 O ARG A 29 59.328 -13.518 -19.956 1.00 12.12 O ATOM 436 CB ARG A 29 58.514 -10.773 -18.878 1.00 53.45 C ATOM 437 CG ARG A 29 57.139 -10.441 -19.431 1.00 41.44 C ATOM 438 CD ARG A 29 57.151 -9.097 -20.141 1.00 1.41 C ATOM 439 NE ARG A 29 55.810 -8.535 -20.296 1.00 42.11 N ATOM 440 CZ ARG A 29 55.534 -7.477 -21.052 1.00 34.34 C ATOM 441 NH1 ARG A 29 56.482 -6.907 -21.783 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.305 -6.984 -21.078 1.00 21.35 N ATOM 0 H ARG A 29 60.674 -11.915 -18.016 1.00 72.21 H new ATOM 0 HA ARG A 29 57.790 -12.176 -17.425 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.815 -9.983 -18.190 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.231 -10.771 -19.699 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.823 -11.221 -20.124 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.411 -10.422 -18.620 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.772 -8.399 -19.580 1.00 1.41 H new ATOM 0 HD3 ARG A 29 57.609 -9.212 -21.123 1.00 1.41 H new ATOM 0 HE ARG A 29 55.042 -8.981 -19.795 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.431 -7.280 -21.768 1.00 14.43 H new ATOM 0 HH12 ARG A 29 56.262 -6.095 -22.360 1.00 14.43 H new ATOM 0 HH21 ARG A 29 53.570 -7.416 -20.518 1.00 21.35 H new ATOM 0 HH22 ARG A 29 54.093 -6.172 -21.658 1.00 21.35 H new ATOM 456 N CYS A 30 57.337 -13.981 -19.029 1.00 53.14 N ATOM 457 CA CYS A 30 57.046 -15.087 -19.925 1.00 13.35 C ATOM 458 C CYS A 30 56.756 -14.568 -21.327 1.00 23.11 C ATOM 459 O CYS A 30 55.928 -13.677 -21.504 1.00 13.32 O ATOM 460 CB CYS A 30 55.851 -15.882 -19.405 1.00 24.13 C ATOM 461 SG CYS A 30 55.406 -17.303 -20.426 1.00 1.33 S ATOM 0 H CYS A 30 56.619 -13.812 -18.324 1.00 53.14 H new ATOM 0 HA CYS A 30 57.917 -15.742 -19.966 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.071 -16.229 -18.396 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.990 -15.217 -19.333 1.00 24.13 H new ATOM 0 HG CYS A 30 54.440 -17.961 -19.857 1.00 1.33 H new ATOM 466 N ILE A 31 57.421 -15.141 -22.317 1.00 13.20 N ATOM 467 CA ILE A 31 57.293 -14.674 -23.690 1.00 62.43 C ATOM 468 C ILE A 31 56.158 -15.391 -24.415 1.00 64.12 C ATOM 469 O ILE A 31 55.875 -15.104 -25.577 1.00 21.10 O ATOM 470 CB ILE A 31 58.606 -14.861 -24.488 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.959 -16.347 -24.600 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.742 -14.084 -23.831 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.201 -16.627 -25.423 1.00 74.30 C ATOM 0 H ILE A 31 58.055 -15.931 -22.197 1.00 13.20 H new ATOM 0 HA ILE A 31 57.068 -13.609 -23.634 1.00 62.43 H new ATOM 0 HB ILE A 31 58.460 -14.469 -25.495 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.101 -16.752 -23.598 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.116 -16.878 -25.042 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.659 -14.226 -24.404 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.490 -13.024 -23.805 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.890 -14.447 -22.814 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.383 -17.701 -25.454 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.057 -16.254 -26.437 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.058 -16.127 -24.971 1.00 74.30 H new ATOM 485 N GLN A 32 55.510 -16.328 -23.727 1.00 51.33 N ATOM 486 CA GLN A 32 54.392 -17.055 -24.314 1.00 23.44 C ATOM 487 C GLN A 32 53.089 -16.294 -24.107 1.00 13.04 C ATOM 488 O GLN A 32 52.136 -16.463 -24.865 1.00 35.13 O ATOM 489 CB GLN A 32 54.254 -18.454 -23.710 1.00 55.24 C ATOM 490 CG GLN A 32 55.509 -19.306 -23.798 1.00 33.15 C ATOM 491 CD GLN A 32 55.187 -20.787 -23.847 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.162 -21.230 -23.326 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.069 -21.563 -24.447 1.00 22.30 N ATOM 0 H GLN A 32 55.739 -16.599 -22.771 1.00 51.33 H new ATOM 0 HA GLN A 32 54.596 -17.151 -25.380 1.00 23.44 H new ATOM 0 HB2 GLN A 32 53.969 -18.357 -22.662 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.440 -18.975 -24.215 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.074 -19.028 -24.688 1.00 33.15 H new ATOM 0 HG3 GLN A 32 56.147 -19.102 -22.938 1.00 33.15 H new ATOM 0 HE21 GLN A 32 56.905 -21.156 -24.866 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.915 -22.570 -24.492 1.00 22.30 H new ATOM 502 N CYS A 33 53.052 -15.456 -23.080 1.00 2.20 N ATOM 503 CA CYS A 33 51.824 -14.746 -22.734 1.00 22.24 C ATOM 504 C CYS A 33 52.105 -13.337 -22.223 1.00 72.42 C ATOM 505 O CYS A 33 51.421 -12.385 -22.595 1.00 22.31 O ATOM 506 CB CYS A 33 51.036 -15.539 -21.691 1.00 41.11 C ATOM 507 SG CYS A 33 51.971 -15.956 -20.198 1.00 25.30 S ATOM 0 H CYS A 33 53.848 -15.251 -22.476 1.00 2.20 H new ATOM 0 HA CYS A 33 51.230 -14.652 -23.643 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.156 -14.963 -21.404 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.678 -16.461 -22.149 1.00 41.11 H new ATOM 0 HG CYS A 33 51.148 -16.142 -19.209 1.00 25.30 H new ATOM 512 N GLY A 34 53.114 -13.203 -21.378 1.00 75.22 N ATOM 513 CA GLY A 34 53.431 -11.907 -20.817 1.00 61.15 C ATOM 514 C GLY A 34 53.475 -11.929 -19.302 1.00 41.20 C ATOM 515 O GLY A 34 53.651 -10.891 -18.674 1.00 65.41 O ATOM 0 H GLY A 34 53.718 -13.966 -21.071 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.395 -11.574 -21.201 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.688 -11.180 -21.146 1.00 61.15 H new ATOM 519 N PHE A 35 53.309 -13.114 -18.722 1.00 44.34 N ATOM 520 CA PHE A 35 53.356 -13.285 -17.272 1.00 63.14 C ATOM 521 C PHE A 35 54.671 -12.756 -16.704 1.00 62.11 C ATOM 522 O PHE A 35 55.742 -13.289 -16.993 1.00 22.11 O ATOM 523 CB PHE A 35 53.186 -14.765 -16.923 1.00 51.10 C ATOM 524 CG PHE A 35 53.279 -15.073 -15.454 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.185 -14.892 -14.626 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.458 -15.556 -14.907 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.266 -15.185 -13.279 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.546 -15.850 -13.560 1.00 63.43 C ATOM 529 CZ PHE A 35 53.447 -15.664 -12.745 1.00 22.21 C ATOM 0 H PHE A 35 53.139 -13.977 -19.238 1.00 44.34 H new ATOM 0 HA PHE A 35 52.542 -12.714 -16.827 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.218 -15.104 -17.292 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.947 -15.340 -17.451 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.259 -14.518 -15.037 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.319 -15.704 -15.542 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.406 -15.040 -12.642 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.471 -16.224 -13.146 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.510 -15.893 -11.691 1.00 22.21 H new ATOM 539 N GLU A 36 54.582 -11.705 -15.905 1.00 21.30 N ATOM 540 CA GLU A 36 55.758 -11.080 -15.324 1.00 35.33 C ATOM 541 C GLU A 36 55.998 -11.583 -13.905 1.00 44.03 C ATOM 542 O GLU A 36 55.199 -11.339 -13.003 1.00 52.25 O ATOM 543 CB GLU A 36 55.597 -9.559 -15.336 1.00 30.54 C ATOM 544 CG GLU A 36 55.795 -8.949 -16.712 1.00 13.22 C ATOM 545 CD GLU A 36 55.217 -7.554 -16.833 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.943 -6.582 -16.553 1.00 35.32 O ATOM 547 OE2 GLU A 36 54.039 -7.427 -17.229 1.00 54.43 O ATOM 0 H GLU A 36 53.700 -11.264 -15.643 1.00 21.30 H new ATOM 0 HA GLU A 36 56.627 -11.349 -15.924 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.602 -9.302 -14.971 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.314 -9.118 -14.643 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.861 -8.915 -16.938 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.332 -9.594 -17.459 1.00 13.22 H new ATOM 554 N TYR A 37 57.096 -12.301 -13.726 1.00 71.04 N ATOM 555 CA TYR A 37 57.468 -12.825 -12.420 1.00 2.31 C ATOM 556 C TYR A 37 58.735 -12.149 -11.914 1.00 2.10 C ATOM 557 O TYR A 37 59.797 -12.302 -12.502 1.00 33.24 O ATOM 558 CB TYR A 37 57.693 -14.340 -12.490 1.00 64.22 C ATOM 559 CG TYR A 37 58.404 -14.893 -11.271 1.00 22.51 C ATOM 560 CD1 TYR A 37 57.726 -15.098 -10.076 1.00 13.05 C ATOM 561 CD2 TYR A 37 59.762 -15.182 -11.311 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.383 -15.579 -8.959 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.425 -15.657 -10.198 1.00 42.11 C ATOM 564 CZ TYR A 37 59.732 -15.855 -9.026 1.00 3.33 C ATOM 565 OH TYR A 37 60.392 -16.325 -7.914 1.00 35.44 O ATOM 0 H TYR A 37 57.749 -12.535 -14.474 1.00 71.04 H new ATOM 0 HA TYR A 37 56.650 -12.617 -11.730 1.00 2.31 H new ATOM 0 HB2 TYR A 37 56.730 -14.839 -12.599 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.276 -14.574 -13.381 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.670 -14.878 -10.019 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.309 -15.032 -12.230 1.00 34.02 H new ATOM 0 HE1 TYR A 37 57.842 -15.738 -8.038 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.482 -15.872 -10.247 1.00 42.11 H new ATOM 0 HH TYR A 37 61.202 -15.793 -7.765 1.00 35.44 H new ATOM 575 N ASP A 38 58.622 -11.414 -10.826 1.00 70.50 N ATOM 576 CA ASP A 38 59.793 -10.805 -10.205 1.00 10.30 C ATOM 577 C ASP A 38 60.300 -11.682 -9.068 1.00 4.53 C ATOM 578 O ASP A 38 59.504 -12.227 -8.301 1.00 73.13 O ATOM 579 CB ASP A 38 59.464 -9.405 -9.685 1.00 64.12 C ATOM 580 CG ASP A 38 60.562 -8.853 -8.800 1.00 45.13 C ATOM 581 OD1 ASP A 38 61.667 -8.585 -9.309 1.00 30.54 O ATOM 582 OD2 ASP A 38 60.326 -8.716 -7.585 1.00 51.42 O ATOM 0 H ASP A 38 57.740 -11.222 -10.352 1.00 70.50 H new ATOM 0 HA ASP A 38 60.575 -10.716 -10.959 1.00 10.30 H new ATOM 0 HB2 ASP A 38 59.307 -8.733 -10.529 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.529 -9.437 -9.125 1.00 64.12 H new ATOM 587 N GLU A 39 61.618 -11.829 -8.974 1.00 21.24 N ATOM 588 CA GLU A 39 62.228 -12.659 -7.936 1.00 73.35 C ATOM 589 C GLU A 39 61.874 -12.150 -6.537 1.00 61.05 C ATOM 590 O GLU A 39 61.505 -12.934 -5.663 1.00 14.23 O ATOM 591 CB GLU A 39 63.749 -12.680 -8.086 1.00 3.15 C ATOM 592 CG GLU A 39 64.260 -13.313 -9.368 1.00 2.32 C ATOM 593 CD GLU A 39 65.770 -13.225 -9.475 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.311 -12.101 -9.375 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.423 -14.279 -9.629 1.00 42.02 O ATOM 0 H GLU A 39 62.286 -11.385 -9.604 1.00 21.24 H new ATOM 0 HA GLU A 39 61.834 -13.668 -8.057 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.118 -11.656 -8.032 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.175 -13.217 -7.239 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.953 -14.358 -9.405 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.805 -12.817 -10.225 1.00 2.32 H new ATOM 602 N ALA A 40 61.976 -10.838 -6.336 1.00 41.21 N ATOM 603 CA ALA A 40 61.756 -10.235 -5.022 1.00 41.44 C ATOM 604 C ALA A 40 60.296 -10.348 -4.606 1.00 73.14 C ATOM 605 O ALA A 40 59.986 -10.636 -3.446 1.00 63.31 O ATOM 606 CB ALA A 40 62.191 -8.778 -5.025 1.00 64.54 C ATOM 0 H ALA A 40 62.211 -10.169 -7.069 1.00 41.21 H new ATOM 0 HA ALA A 40 62.360 -10.780 -4.297 1.00 41.44 H new ATOM 0 HB1 ALA A 40 62.020 -8.345 -4.039 1.00 64.54 H new ATOM 0 HB2 ALA A 40 63.251 -8.715 -5.270 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.614 -8.228 -5.768 1.00 64.54 H new ATOM 612 N LEU A 41 59.405 -10.106 -5.556 1.00 35.01 N ATOM 613 CA LEU A 41 57.975 -10.255 -5.332 1.00 43.03 C ATOM 614 C LEU A 41 57.665 -11.713 -5.001 1.00 41.24 C ATOM 615 O LEU A 41 56.903 -12.003 -4.074 1.00 5.12 O ATOM 616 CB LEU A 41 57.205 -9.795 -6.584 1.00 54.42 C ATOM 617 CG LEU A 41 55.731 -9.399 -6.384 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.855 -10.616 -6.136 1.00 54.05 C ATOM 619 CD2 LEU A 41 55.595 -8.402 -5.244 1.00 50.10 C ATOM 0 H LEU A 41 59.651 -9.803 -6.498 1.00 35.01 H new ATOM 0 HA LEU A 41 57.662 -9.635 -4.492 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.731 -8.942 -7.012 1.00 54.42 H new ATOM 0 HB3 LEU A 41 57.245 -10.597 -7.321 1.00 54.42 H new ATOM 0 HG LEU A 41 55.388 -8.926 -7.304 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.821 -10.298 -5.999 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.918 -11.290 -6.991 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.197 -11.134 -5.240 1.00 54.05 H new ATOM 0 HD21 LEU A 41 54.546 -8.134 -5.118 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.968 -8.849 -4.323 1.00 50.10 H new ATOM 0 HD23 LEU A 41 56.173 -7.507 -5.473 1.00 50.10 H new ATOM 631 N GLY A 42 58.282 -12.620 -5.749 1.00 60.35 N ATOM 632 CA GLY A 42 58.069 -14.036 -5.537 1.00 65.42 C ATOM 633 C GLY A 42 56.757 -14.491 -6.131 1.00 1.31 C ATOM 634 O GLY A 42 56.110 -13.743 -6.866 1.00 22.32 O ATOM 0 H GLY A 42 58.930 -12.396 -6.504 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.888 -14.600 -5.985 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.080 -14.251 -4.469 1.00 65.42 H new ATOM 638 N TRP A 43 56.347 -15.710 -5.819 1.00 34.01 N ATOM 639 CA TRP A 43 55.078 -16.217 -6.307 1.00 72.13 C ATOM 640 C TRP A 43 54.497 -17.213 -5.314 1.00 1.53 C ATOM 641 O TRP A 43 54.536 -18.430 -5.526 1.00 0.54 O ATOM 642 CB TRP A 43 55.238 -16.852 -7.693 1.00 22.21 C ATOM 643 CG TRP A 43 53.942 -17.026 -8.420 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.347 -18.202 -8.771 1.00 62.34 C ATOM 645 CD2 TRP A 43 53.078 -15.982 -8.887 1.00 75.12 C ATOM 646 NE1 TRP A 43 52.165 -17.955 -9.426 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.978 -16.601 -9.511 1.00 2.33 C ATOM 648 CE3 TRP A 43 53.125 -14.586 -8.836 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.940 -15.875 -10.080 1.00 1.21 C ATOM 650 CZ3 TRP A 43 52.090 -13.864 -9.403 1.00 45.00 C ATOM 651 CH2 TRP A 43 51.010 -14.510 -10.015 1.00 72.01 C ATOM 0 H TRP A 43 56.871 -16.361 -5.234 1.00 34.01 H new ATOM 0 HA TRP A 43 54.385 -15.382 -6.405 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.903 -16.232 -8.294 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.719 -17.824 -7.586 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.747 -19.184 -8.564 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.530 -18.665 -9.790 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.954 -14.080 -8.363 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 50.107 -16.370 -10.557 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 52.116 -12.785 -9.373 1.00 45.00 H new ATOM 0 HH2 TRP A 43 50.215 -13.919 -10.445 1.00 72.01 H new ATOM 662 N PRO A 44 53.938 -16.697 -4.209 1.00 45.41 N ATOM 663 CA PRO A 44 53.378 -17.523 -3.141 1.00 41.22 C ATOM 664 C PRO A 44 52.140 -18.265 -3.614 1.00 43.31 C ATOM 665 O PRO A 44 51.694 -19.226 -2.989 1.00 52.04 O ATOM 666 CB PRO A 44 53.017 -16.529 -2.032 1.00 1.41 C ATOM 667 CG PRO A 44 53.610 -15.220 -2.442 1.00 43.31 C ATOM 668 CD PRO A 44 53.789 -15.267 -3.927 1.00 12.02 C ATOM 0 HA PRO A 44 54.080 -18.286 -2.806 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.936 -16.449 -1.917 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.416 -16.854 -1.071 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.957 -14.395 -2.158 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.565 -15.056 -1.943 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.931 -14.842 -4.448 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.666 -14.702 -4.244 1.00 12.02 H new ATOM 676 N GLU A 45 51.594 -17.797 -4.734 1.00 52.10 N ATOM 677 CA GLU A 45 50.470 -18.451 -5.388 1.00 33.11 C ATOM 678 C GLU A 45 50.809 -19.909 -5.684 1.00 32.45 C ATOM 679 O GLU A 45 49.993 -20.806 -5.467 1.00 53.21 O ATOM 680 CB GLU A 45 50.135 -17.733 -6.699 1.00 63.41 C ATOM 681 CG GLU A 45 50.056 -16.217 -6.574 1.00 44.43 C ATOM 682 CD GLU A 45 48.909 -15.752 -5.707 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.752 -15.798 -6.174 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.163 -15.328 -4.561 1.00 63.33 O ATOM 0 H GLU A 45 51.919 -16.956 -5.210 1.00 52.10 H new ATOM 0 HA GLU A 45 49.609 -18.409 -4.721 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.890 -17.987 -7.443 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.181 -18.106 -7.072 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.992 -15.844 -6.159 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.952 -15.782 -7.568 1.00 44.43 H new ATOM 691 N ASP A 46 52.025 -20.142 -6.172 1.00 54.25 N ATOM 692 CA ASP A 46 52.477 -21.499 -6.468 1.00 30.40 C ATOM 693 C ASP A 46 53.318 -22.036 -5.315 1.00 61.32 C ATOM 694 O ASP A 46 53.467 -23.242 -5.149 1.00 73.23 O ATOM 695 CB ASP A 46 53.289 -21.537 -7.769 1.00 23.20 C ATOM 696 CG ASP A 46 53.415 -22.936 -8.331 1.00 70.52 C ATOM 697 OD1 ASP A 46 52.374 -23.619 -8.471 1.00 44.11 O ATOM 698 OD2 ASP A 46 54.544 -23.350 -8.653 1.00 44.22 O ATOM 0 H ASP A 46 52.711 -19.414 -6.370 1.00 54.25 H new ATOM 0 HA ASP A 46 51.597 -22.129 -6.594 1.00 30.40 H new ATOM 0 HB2 ASP A 46 52.814 -20.893 -8.509 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.284 -21.132 -7.585 1.00 23.20 H new ATOM 703 N GLY A 47 53.865 -21.128 -4.517 1.00 73.12 N ATOM 704 CA GLY A 47 54.651 -21.530 -3.367 1.00 12.11 C ATOM 705 C GLY A 47 56.047 -20.943 -3.383 1.00 64.11 C ATOM 706 O GLY A 47 56.785 -21.057 -2.404 1.00 22.42 O ATOM 0 H GLY A 47 53.778 -20.120 -4.646 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.140 -21.219 -2.456 1.00 12.11 H new ATOM 0 HA3 GLY A 47 54.718 -22.618 -3.339 1.00 12.11 H new ATOM 710 N ILE A 48 56.405 -20.300 -4.489 1.00 0.01 N ATOM 711 CA ILE A 48 57.734 -19.726 -4.644 1.00 25.24 C ATOM 712 C ILE A 48 57.911 -18.542 -3.700 1.00 62.01 C ATOM 713 O ILE A 48 57.143 -17.578 -3.746 1.00 62.43 O ATOM 714 CB ILE A 48 57.991 -19.272 -6.097 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.710 -20.420 -7.074 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.422 -18.784 -6.253 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.583 -21.639 -6.853 1.00 43.03 C ATOM 0 H ILE A 48 55.791 -20.164 -5.292 1.00 0.01 H new ATOM 0 HA ILE A 48 58.458 -20.503 -4.397 1.00 25.24 H new ATOM 0 HB ILE A 48 57.315 -18.448 -6.327 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.664 -20.713 -6.985 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.855 -20.061 -8.093 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.588 -18.467 -7.283 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.595 -17.942 -5.582 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.111 -19.592 -6.006 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.326 -22.408 -7.582 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.631 -21.363 -6.972 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.421 -22.025 -5.846 1.00 43.03 H new ATOM 729 N ALA A 49 58.918 -18.632 -2.846 1.00 31.20 N ATOM 730 CA ALA A 49 59.138 -17.640 -1.803 1.00 5.11 C ATOM 731 C ALA A 49 59.586 -16.300 -2.372 1.00 32.55 C ATOM 732 O ALA A 49 60.344 -16.234 -3.347 1.00 44.13 O ATOM 733 CB ALA A 49 60.155 -18.153 -0.797 1.00 50.42 C ATOM 0 H ALA A 49 59.602 -19.389 -2.855 1.00 31.20 H new ATOM 0 HA ALA A 49 58.185 -17.477 -1.301 1.00 5.11 H new ATOM 0 HB1 ALA A 49 60.311 -17.402 -0.022 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.785 -19.072 -0.343 1.00 50.42 H new ATOM 0 HB3 ALA A 49 61.099 -18.353 -1.304 1.00 50.42 H new ATOM 739 N ALA A 50 59.110 -15.232 -1.752 1.00 43.33 N ATOM 740 CA ALA A 50 59.497 -13.885 -2.137 1.00 31.42 C ATOM 741 C ALA A 50 60.997 -13.688 -1.939 1.00 65.35 C ATOM 742 O ALA A 50 61.492 -13.704 -0.809 1.00 33.24 O ATOM 743 CB ALA A 50 58.712 -12.862 -1.331 1.00 12.13 C ATOM 0 H ALA A 50 58.451 -15.273 -0.975 1.00 43.33 H new ATOM 0 HA ALA A 50 59.268 -13.742 -3.193 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.011 -11.857 -1.629 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.646 -12.993 -1.516 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.916 -13.001 -0.269 1.00 12.13 H new ATOM 749 N GLY A 51 61.713 -13.526 -3.038 1.00 23.11 N ATOM 750 CA GLY A 51 63.150 -13.368 -2.976 1.00 51.21 C ATOM 751 C GLY A 51 63.889 -14.593 -3.478 1.00 12.22 C ATOM 752 O GLY A 51 65.117 -14.634 -3.439 1.00 44.15 O ATOM 0 H GLY A 51 61.322 -13.501 -3.980 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.443 -12.502 -3.569 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.446 -13.165 -1.947 1.00 51.21 H new ATOM 756 N THR A 52 63.149 -15.605 -3.924 1.00 34.23 N ATOM 757 CA THR A 52 63.767 -16.782 -4.511 1.00 72.11 C ATOM 758 C THR A 52 64.359 -16.456 -5.878 1.00 32.45 C ATOM 759 O THR A 52 63.647 -16.057 -6.801 1.00 11.25 O ATOM 760 CB THR A 52 62.772 -17.950 -4.637 1.00 4.53 C ATOM 761 OG1 THR A 52 62.308 -18.329 -3.334 1.00 61.21 O ATOM 762 CG2 THR A 52 63.424 -19.150 -5.310 1.00 63.31 C ATOM 0 H THR A 52 62.130 -15.631 -3.889 1.00 34.23 H new ATOM 0 HA THR A 52 64.567 -17.092 -3.839 1.00 72.11 H new ATOM 0 HB THR A 52 61.933 -17.622 -5.250 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.623 -17.696 -3.034 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.700 -19.962 -5.387 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.761 -18.869 -6.308 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.278 -19.480 -4.718 1.00 63.31 H new ATOM 770 N ARG A 53 65.672 -16.610 -5.979 1.00 11.11 N ATOM 771 CA ARG A 53 66.398 -16.335 -7.210 1.00 1.42 C ATOM 772 C ARG A 53 66.073 -17.360 -8.287 1.00 24.11 C ATOM 773 O ARG A 53 65.819 -18.529 -7.996 1.00 33.21 O ATOM 774 CB ARG A 53 67.903 -16.324 -6.938 1.00 42.33 C ATOM 775 CG ARG A 53 68.357 -15.136 -6.110 1.00 70.11 C ATOM 776 CD ARG A 53 68.363 -13.855 -6.926 1.00 62.02 C ATOM 777 NE ARG A 53 69.444 -13.842 -7.913 1.00 73.44 N ATOM 778 CZ ARG A 53 69.795 -12.769 -8.618 1.00 34.42 C ATOM 779 NH1 ARG A 53 69.084 -11.654 -8.529 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.835 -12.827 -9.442 1.00 20.33 N ATOM 0 H ARG A 53 66.263 -16.929 -5.211 1.00 11.11 H new ATOM 0 HA ARG A 53 66.087 -15.355 -7.572 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.178 -17.244 -6.422 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.437 -16.320 -7.888 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.697 -15.017 -5.251 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.357 -15.324 -5.720 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.405 -13.744 -7.435 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.470 -13.000 -6.259 1.00 62.02 H new ATOM 0 HE ARG A 53 69.960 -14.708 -8.070 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.267 -11.618 -7.920 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.354 -10.832 -9.070 1.00 5.03 H new ATOM 0 HH21 ARG A 53 71.365 -13.694 -9.535 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.104 -12.005 -9.982 1.00 20.33 H new ATOM 794 N TRP A 54 66.106 -16.903 -9.530 1.00 75.02 N ATOM 795 CA TRP A 54 65.830 -17.736 -10.694 1.00 4.51 C ATOM 796 C TRP A 54 66.803 -18.912 -10.767 1.00 51.50 C ATOM 797 O TRP A 54 66.487 -19.969 -11.318 1.00 53.22 O ATOM 798 CB TRP A 54 65.953 -16.875 -11.951 1.00 14.02 C ATOM 799 CG TRP A 54 65.290 -17.450 -13.161 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.900 -18.000 -14.250 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.884 -17.517 -13.410 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.957 -18.396 -15.167 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.711 -18.112 -14.671 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.754 -17.126 -12.688 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.452 -18.328 -15.224 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.508 -17.343 -13.237 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.365 -17.937 -14.493 1.00 44.10 C ATOM 0 H TRP A 54 66.327 -15.935 -9.763 1.00 75.02 H new ATOM 0 HA TRP A 54 64.822 -18.142 -10.614 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.523 -15.894 -11.748 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.010 -16.721 -12.169 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.967 -18.108 -14.373 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.152 -18.830 -16.069 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.854 -16.662 -11.718 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.338 -18.788 -16.195 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.627 -17.048 -12.686 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.375 -18.091 -14.895 1.00 44.10 H new ATOM 818 N ASP A 55 67.986 -18.712 -10.196 1.00 34.41 N ATOM 819 CA ASP A 55 69.034 -19.731 -10.179 1.00 13.53 C ATOM 820 C ASP A 55 68.675 -20.863 -9.216 1.00 43.20 C ATOM 821 O ASP A 55 69.144 -21.991 -9.364 1.00 13.14 O ATOM 822 CB ASP A 55 70.372 -19.094 -9.779 1.00 34.21 C ATOM 823 CG ASP A 55 71.537 -20.068 -9.825 1.00 1.12 C ATOM 824 OD1 ASP A 55 72.055 -20.331 -10.932 1.00 31.21 O ATOM 825 OD2 ASP A 55 71.947 -20.564 -8.756 1.00 31.22 O ATOM 0 H ASP A 55 68.247 -17.842 -9.732 1.00 34.41 H new ATOM 0 HA ASP A 55 69.125 -20.154 -11.179 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.581 -18.256 -10.444 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.286 -18.687 -8.771 1.00 34.21 H new ATOM 830 N ASP A 56 67.823 -20.558 -8.242 1.00 74.00 N ATOM 831 CA ASP A 56 67.410 -21.543 -7.244 1.00 13.50 C ATOM 832 C ASP A 56 66.171 -22.293 -7.723 1.00 35.01 C ATOM 833 O ASP A 56 65.935 -23.441 -7.340 1.00 73.34 O ATOM 834 CB ASP A 56 67.118 -20.856 -5.901 1.00 10.43 C ATOM 835 CG ASP A 56 66.790 -21.842 -4.793 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.731 -22.412 -4.195 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.593 -22.043 -4.499 1.00 45.42 O ATOM 0 H ASP A 56 67.404 -19.636 -8.121 1.00 74.00 H new ATOM 0 HA ASP A 56 68.224 -22.255 -7.105 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.983 -20.261 -5.607 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.284 -20.166 -6.025 1.00 10.43 H new ATOM 842 N ILE A 57 65.389 -21.635 -8.571 1.00 54.25 N ATOM 843 CA ILE A 57 64.152 -22.203 -9.090 1.00 24.31 C ATOM 844 C ILE A 57 64.432 -23.376 -10.029 1.00 43.24 C ATOM 845 O ILE A 57 65.178 -23.240 -11.000 1.00 14.33 O ATOM 846 CB ILE A 57 63.325 -21.132 -9.837 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.964 -19.987 -8.887 1.00 25.30 C ATOM 848 CG2 ILE A 57 62.070 -21.742 -10.442 1.00 13.22 C ATOM 849 CD1 ILE A 57 62.213 -18.853 -9.555 1.00 14.05 C ATOM 0 H ILE A 57 65.594 -20.697 -8.916 1.00 54.25 H new ATOM 0 HA ILE A 57 63.579 -22.566 -8.236 1.00 24.31 H new ATOM 0 HB ILE A 57 63.931 -20.733 -10.651 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.358 -20.381 -8.071 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.878 -19.593 -8.443 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.504 -20.969 -10.962 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.349 -22.524 -11.148 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.455 -22.170 -9.650 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.992 -18.080 -8.819 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.825 -18.431 -10.352 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.281 -19.231 -9.975 1.00 14.05 H new ATOM 861 N PRO A 58 63.833 -24.544 -9.744 1.00 63.44 N ATOM 862 CA PRO A 58 64.003 -25.750 -10.560 1.00 3.44 C ATOM 863 C PRO A 58 63.548 -25.549 -12.009 1.00 51.00 C ATOM 864 O PRO A 58 62.558 -24.863 -12.276 1.00 45.01 O ATOM 865 CB PRO A 58 63.116 -26.791 -9.862 1.00 24.00 C ATOM 866 CG PRO A 58 62.183 -26.003 -9.011 1.00 73.11 C ATOM 867 CD PRO A 58 62.946 -24.783 -8.595 1.00 50.42 C ATOM 0 HA PRO A 58 65.051 -26.042 -10.629 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.572 -27.395 -10.588 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.713 -27.477 -9.261 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.283 -25.733 -9.563 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.863 -26.580 -8.143 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.285 -23.936 -8.412 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.510 -24.952 -7.677 1.00 50.42 H new ATOM 875 N ASP A 59 64.272 -26.167 -12.937 1.00 25.01 N ATOM 876 CA ASP A 59 63.994 -26.030 -14.369 1.00 41.44 C ATOM 877 C ASP A 59 62.638 -26.617 -14.736 1.00 34.41 C ATOM 878 O ASP A 59 62.070 -26.288 -15.779 1.00 72.22 O ATOM 879 CB ASP A 59 65.090 -26.712 -15.196 1.00 1.55 C ATOM 880 CG ASP A 59 66.406 -25.954 -15.180 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.849 -25.536 -14.089 1.00 4.21 O ATOM 882 OD2 ASP A 59 66.993 -25.759 -16.262 1.00 11.32 O ATOM 0 H ASP A 59 65.064 -26.774 -12.723 1.00 25.01 H new ATOM 0 HA ASP A 59 63.978 -24.964 -14.596 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.253 -27.719 -14.812 1.00 1.55 H new ATOM 0 HB3 ASP A 59 64.749 -26.815 -16.226 1.00 1.55 H new ATOM 887 N ASP A 60 62.123 -27.479 -13.873 1.00 32.43 N ATOM 888 CA ASP A 60 60.835 -28.119 -14.105 1.00 54.13 C ATOM 889 C ASP A 60 59.686 -27.231 -13.637 1.00 24.24 C ATOM 890 O ASP A 60 58.523 -27.519 -13.922 1.00 12.35 O ATOM 891 CB ASP A 60 60.766 -29.484 -13.412 1.00 23.23 C ATOM 892 CG ASP A 60 60.945 -29.401 -11.913 1.00 23.22 C ATOM 893 OD1 ASP A 60 62.103 -29.428 -11.450 1.00 42.45 O ATOM 894 OD2 ASP A 60 59.934 -29.336 -11.188 1.00 70.35 O ATOM 0 H ASP A 60 62.578 -27.753 -13.002 1.00 32.43 H new ATOM 0 HA ASP A 60 60.734 -28.272 -15.180 1.00 54.13 H new ATOM 0 HB2 ASP A 60 59.804 -29.947 -13.631 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.535 -30.135 -13.828 1.00 23.23 H new ATOM 899 N TRP A 61 60.001 -26.148 -12.926 1.00 5.24 N ATOM 900 CA TRP A 61 58.976 -25.187 -12.543 1.00 42.43 C ATOM 901 C TRP A 61 58.553 -24.397 -13.770 1.00 33.21 C ATOM 902 O TRP A 61 59.379 -23.761 -14.430 1.00 22.24 O ATOM 903 CB TRP A 61 59.472 -24.232 -11.448 1.00 54.42 C ATOM 904 CG TRP A 61 58.454 -23.195 -11.045 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.414 -23.355 -10.172 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.382 -21.836 -11.504 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.705 -22.186 -10.063 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.278 -21.239 -10.865 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.143 -21.062 -12.389 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.916 -19.913 -11.084 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.784 -19.747 -12.605 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.679 -19.183 -11.953 1.00 25.01 C ATOM 0 H TRP A 61 60.943 -25.919 -12.609 1.00 5.24 H new ATOM 0 HA TRP A 61 58.126 -25.735 -12.137 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.753 -24.814 -10.570 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.373 -23.728 -11.798 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.184 -24.269 -9.645 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.882 -22.046 -9.477 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.997 -21.487 -12.894 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.063 -19.476 -10.586 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.364 -19.143 -13.287 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.425 -18.150 -12.141 1.00 25.01 H new ATOM 923 N SER A 62 57.277 -24.460 -14.090 1.00 54.20 N ATOM 924 CA SER A 62 56.765 -23.771 -15.251 1.00 3.30 C ATOM 925 C SER A 62 55.891 -22.603 -14.827 1.00 13.23 C ATOM 926 O SER A 62 55.420 -22.547 -13.689 1.00 63.43 O ATOM 927 CB SER A 62 55.974 -24.743 -16.128 1.00 63.43 C ATOM 928 OG SER A 62 56.698 -25.947 -16.322 1.00 64.32 O ATOM 0 H SER A 62 56.578 -24.982 -13.561 1.00 54.20 H new ATOM 0 HA SER A 62 57.602 -23.381 -15.830 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.013 -24.962 -15.662 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.762 -24.281 -17.092 1.00 63.43 H new ATOM 0 HG SER A 62 56.175 -26.556 -16.884 1.00 64.32 H new ATOM 934 N CYS A 63 55.708 -21.664 -15.740 1.00 24.15 N ATOM 935 CA CYS A 63 54.836 -20.527 -15.527 1.00 63.43 C ATOM 936 C CYS A 63 53.434 -21.006 -15.172 1.00 24.51 C ATOM 937 O CYS A 63 52.795 -21.691 -15.963 1.00 44.14 O ATOM 938 CB CYS A 63 54.799 -19.671 -16.798 1.00 63.12 C ATOM 939 SG CYS A 63 53.637 -18.292 -16.739 1.00 13.20 S ATOM 0 H CYS A 63 56.163 -21.671 -16.653 1.00 24.15 H new ATOM 0 HA CYS A 63 55.217 -19.926 -14.701 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.799 -19.279 -16.986 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.543 -20.310 -17.643 1.00 63.12 H new ATOM 0 HG CYS A 63 54.064 -17.401 -15.894 1.00 13.20 H new ATOM 944 N PRO A 64 52.939 -20.663 -13.975 1.00 12.23 N ATOM 945 CA PRO A 64 51.603 -21.080 -13.523 1.00 52.51 C ATOM 946 C PRO A 64 50.494 -20.571 -14.443 1.00 52.22 C ATOM 947 O PRO A 64 49.370 -21.070 -14.416 1.00 21.33 O ATOM 948 CB PRO A 64 51.476 -20.448 -12.133 1.00 2.43 C ATOM 949 CG PRO A 64 52.878 -20.172 -11.703 1.00 63.34 C ATOM 950 CD PRO A 64 53.639 -19.864 -12.959 1.00 75.23 C ATOM 0 HA PRO A 64 51.498 -22.165 -13.521 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.887 -19.532 -12.169 1.00 2.43 H new ATOM 0 HB3 PRO A 64 50.976 -21.122 -11.438 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.916 -19.333 -11.008 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.305 -21.032 -11.188 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.614 -18.800 -13.195 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.688 -20.148 -12.875 1.00 75.23 H new ATOM 958 N ASP A 65 50.830 -19.591 -15.272 1.00 62.43 N ATOM 959 CA ASP A 65 49.861 -18.953 -16.153 1.00 4.14 C ATOM 960 C ASP A 65 49.630 -19.763 -17.430 1.00 73.14 C ATOM 961 O ASP A 65 48.485 -19.981 -17.834 1.00 75.43 O ATOM 962 CB ASP A 65 50.336 -17.543 -16.507 1.00 75.11 C ATOM 963 CG ASP A 65 49.360 -16.794 -17.389 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.369 -16.255 -16.858 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.595 -16.718 -18.612 1.00 12.44 O ATOM 0 H ASP A 65 51.776 -19.218 -15.352 1.00 62.43 H new ATOM 0 HA ASP A 65 48.911 -18.901 -15.621 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.495 -16.978 -15.589 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.299 -17.606 -17.013 1.00 75.11 H new ATOM 970 N CYS A 66 50.708 -20.219 -18.064 1.00 24.23 N ATOM 971 CA CYS A 66 50.592 -20.897 -19.357 1.00 44.35 C ATOM 972 C CYS A 66 51.393 -22.202 -19.422 1.00 61.50 C ATOM 973 O CYS A 66 51.284 -22.952 -20.391 1.00 33.10 O ATOM 974 CB CYS A 66 51.052 -19.958 -20.470 1.00 11.53 C ATOM 975 SG CYS A 66 52.712 -19.292 -20.223 1.00 2.42 S ATOM 0 H CYS A 66 51.661 -20.134 -17.711 1.00 24.23 H new ATOM 0 HA CYS A 66 49.542 -21.160 -19.487 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.023 -20.493 -21.419 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.347 -19.131 -20.549 1.00 11.53 H new ATOM 0 HG CYS A 66 52.663 -17.993 -20.226 1.00 2.42 H new ATOM 980 N GLY A 67 52.199 -22.463 -18.403 1.00 11.35 N ATOM 981 CA GLY A 67 52.975 -23.693 -18.357 1.00 2.21 C ATOM 982 C GLY A 67 54.297 -23.598 -19.099 1.00 45.15 C ATOM 983 O GLY A 67 54.902 -24.615 -19.427 1.00 12.15 O ATOM 0 H GLY A 67 52.332 -21.845 -17.603 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.168 -23.954 -17.316 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.384 -24.503 -18.784 1.00 2.21 H new ATOM 987 N ALA A 68 54.746 -22.378 -19.367 1.00 3.21 N ATOM 988 CA ALA A 68 56.031 -22.163 -20.028 1.00 51.33 C ATOM 989 C ALA A 68 57.180 -22.343 -19.042 1.00 24.02 C ATOM 990 O ALA A 68 57.133 -21.816 -17.935 1.00 24.41 O ATOM 991 CB ALA A 68 56.083 -20.774 -20.644 1.00 22.41 C ATOM 0 H ALA A 68 54.241 -21.522 -19.138 1.00 3.21 H new ATOM 0 HA ALA A 68 56.136 -22.904 -20.821 1.00 51.33 H new ATOM 0 HB1 ALA A 68 57.046 -20.629 -21.133 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.284 -20.672 -21.379 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.956 -20.025 -19.863 1.00 22.41 H new ATOM 997 N ALA A 69 58.200 -23.087 -19.439 1.00 63.43 N ATOM 998 CA ALA A 69 59.353 -23.327 -18.578 1.00 14.25 C ATOM 999 C ALA A 69 60.232 -22.083 -18.487 1.00 45.14 C ATOM 1000 O ALA A 69 59.977 -21.088 -19.165 1.00 64.45 O ATOM 1001 CB ALA A 69 60.161 -24.510 -19.090 1.00 43.25 C ATOM 0 H ALA A 69 58.255 -23.537 -20.353 1.00 63.43 H new ATOM 0 HA ALA A 69 58.988 -23.560 -17.578 1.00 14.25 H new ATOM 0 HB1 ALA A 69 61.018 -24.676 -18.437 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.534 -25.402 -19.100 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.511 -24.301 -20.101 1.00 43.25 H new ATOM 1007 N LYS A 70 61.276 -22.153 -17.660 1.00 44.04 N ATOM 1008 CA LYS A 70 62.189 -21.022 -17.465 1.00 2.40 C ATOM 1009 C LYS A 70 62.777 -20.542 -18.793 1.00 33.52 C ATOM 1010 O LYS A 70 63.043 -19.353 -18.972 1.00 53.10 O ATOM 1011 CB LYS A 70 63.328 -21.401 -16.507 1.00 2.20 C ATOM 1012 CG LYS A 70 62.863 -21.755 -15.102 1.00 4.42 C ATOM 1013 CD LYS A 70 64.028 -21.817 -14.118 1.00 65.43 C ATOM 1014 CE LYS A 70 65.043 -22.881 -14.511 1.00 20.30 C ATOM 1015 NZ LYS A 70 66.141 -23.016 -13.515 1.00 61.24 N ATOM 0 H LYS A 70 61.512 -22.981 -17.113 1.00 44.04 H new ATOM 0 HA LYS A 70 61.608 -20.209 -17.029 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.872 -22.249 -16.923 1.00 2.20 H new ATOM 0 HB3 LYS A 70 64.031 -20.570 -16.447 1.00 2.20 H new ATOM 0 HG2 LYS A 70 62.139 -21.015 -14.762 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.351 -22.717 -15.120 1.00 4.42 H new ATOM 0 HD2 LYS A 70 64.519 -20.845 -14.074 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.649 -22.028 -13.118 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.536 -23.840 -14.620 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.467 -22.632 -15.484 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.646 -23.911 -13.674 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 66.804 -22.221 -13.619 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.741 -23.010 -12.555 1.00 61.24 H new ATOM 1029 N SER A 71 62.943 -21.471 -19.728 1.00 24.44 N ATOM 1030 CA SER A 71 63.531 -21.168 -21.029 1.00 74.02 C ATOM 1031 C SER A 71 62.669 -20.174 -21.810 1.00 74.23 C ATOM 1032 O SER A 71 63.149 -19.515 -22.735 1.00 30.43 O ATOM 1033 CB SER A 71 63.702 -22.466 -21.826 1.00 35.23 C ATOM 1034 OG SER A 71 64.380 -22.246 -23.051 1.00 35.24 O ATOM 0 H SER A 71 62.676 -22.448 -19.608 1.00 24.44 H new ATOM 0 HA SER A 71 64.506 -20.706 -20.870 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.257 -23.189 -21.228 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.723 -22.902 -22.026 1.00 35.23 H new ATOM 0 HG SER A 71 64.472 -23.095 -23.531 1.00 35.24 H new ATOM 1040 N ASP A 72 61.405 -20.059 -21.422 1.00 22.41 N ATOM 1041 CA ASP A 72 60.465 -19.182 -22.107 1.00 53.55 C ATOM 1042 C ASP A 72 60.291 -17.869 -21.353 1.00 72.53 C ATOM 1043 O ASP A 72 59.345 -17.118 -21.605 1.00 51.33 O ATOM 1044 CB ASP A 72 59.110 -19.877 -22.267 1.00 31.01 C ATOM 1045 CG ASP A 72 59.175 -21.082 -23.184 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.534 -22.180 -22.709 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.865 -20.940 -24.387 1.00 14.24 O ATOM 0 H ASP A 72 61.006 -20.566 -20.632 1.00 22.41 H new ATOM 0 HA ASP A 72 60.871 -18.959 -23.094 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.749 -20.190 -21.287 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.385 -19.165 -22.661 1.00 31.01 H new ATOM 1052 N PHE A 73 61.192 -17.593 -20.421 1.00 54.42 N ATOM 1053 CA PHE A 73 61.169 -16.323 -19.702 1.00 32.03 C ATOM 1054 C PHE A 73 62.302 -15.410 -20.159 1.00 41.43 C ATOM 1055 O PHE A 73 63.361 -15.875 -20.585 1.00 33.41 O ATOM 1056 CB PHE A 73 61.269 -16.551 -18.193 1.00 12.00 C ATOM 1057 CG PHE A 73 59.994 -17.033 -17.561 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.652 -18.375 -17.585 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.141 -16.141 -16.932 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.483 -18.817 -16.995 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.972 -16.575 -16.339 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.643 -17.915 -16.371 1.00 32.20 C ATOM 0 H PHE A 73 61.944 -18.225 -20.145 1.00 54.42 H new ATOM 0 HA PHE A 73 60.219 -15.838 -19.926 1.00 32.03 H new ATOM 0 HB2 PHE A 73 62.057 -17.278 -17.997 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.570 -15.619 -17.714 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.306 -19.084 -18.070 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.394 -15.091 -16.905 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.227 -19.866 -17.022 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.317 -15.868 -15.852 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.729 -18.258 -15.908 1.00 32.20 H new ATOM 1072 N GLU A 74 62.068 -14.109 -20.079 1.00 11.30 N ATOM 1073 CA GLU A 74 63.092 -13.127 -20.397 1.00 71.52 C ATOM 1074 C GLU A 74 63.493 -12.376 -19.130 1.00 63.42 C ATOM 1075 O GLU A 74 62.664 -12.158 -18.243 1.00 24.10 O ATOM 1076 CB GLU A 74 62.589 -12.142 -21.455 1.00 55.11 C ATOM 1077 CG GLU A 74 61.452 -11.259 -20.970 1.00 15.31 C ATOM 1078 CD GLU A 74 61.106 -10.162 -21.949 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.992 -9.343 -22.262 1.00 22.12 O ATOM 1080 OE2 GLU A 74 59.949 -10.117 -22.414 1.00 33.13 O ATOM 0 H GLU A 74 61.174 -13.708 -19.795 1.00 11.30 H new ATOM 0 HA GLU A 74 63.961 -13.646 -20.800 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.418 -11.510 -21.775 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.257 -12.700 -22.331 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.570 -11.874 -20.794 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.726 -10.813 -20.014 1.00 15.31 H new ATOM 1087 N MET A 75 64.756 -11.991 -19.044 1.00 1.12 N ATOM 1088 CA MET A 75 65.264 -11.318 -17.858 1.00 0.12 C ATOM 1089 C MET A 75 65.116 -9.808 -17.983 1.00 41.40 C ATOM 1090 O MET A 75 65.863 -9.161 -18.712 1.00 64.03 O ATOM 1091 CB MET A 75 66.736 -11.675 -17.630 1.00 65.23 C ATOM 1092 CG MET A 75 67.318 -11.055 -16.372 1.00 22.24 C ATOM 1093 SD MET A 75 69.083 -11.388 -16.174 1.00 62.41 S ATOM 1094 CE MET A 75 69.085 -13.178 -16.081 1.00 41.21 C ATOM 0 H MET A 75 65.448 -12.132 -19.780 1.00 1.12 H new ATOM 0 HA MET A 75 64.677 -11.656 -17.004 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.835 -12.759 -17.571 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.319 -11.348 -18.491 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.158 -9.977 -16.397 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.782 -11.437 -15.503 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.554 -13.493 -15.149 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.059 -13.545 -16.113 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.643 -13.586 -16.924 1.00 41.21 H new ATOM 1104 N VAL A 76 64.140 -9.254 -17.289 1.00 52.24 N ATOM 1105 CA VAL A 76 63.951 -7.814 -17.251 1.00 50.44 C ATOM 1106 C VAL A 76 64.340 -7.285 -15.876 1.00 33.40 C ATOM 1107 O VAL A 76 63.751 -7.668 -14.870 1.00 12.34 O ATOM 1108 CB VAL A 76 62.487 -7.422 -17.557 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.324 -5.908 -17.579 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.027 -8.032 -18.874 1.00 70.33 C ATOM 0 H VAL A 76 63.461 -9.782 -16.740 1.00 52.24 H new ATOM 0 HA VAL A 76 64.586 -7.372 -18.019 1.00 50.44 H new ATOM 0 HB VAL A 76 61.858 -7.819 -16.760 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.286 -5.657 -17.796 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.601 -5.498 -16.608 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.969 -5.484 -18.349 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.994 -7.742 -19.068 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.663 -7.673 -19.683 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.094 -9.118 -18.815 1.00 70.33 H new