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 -161:sc= 1.09 USER MOD Set 1.2: A 33 CYS SG : rot 171:sc= 2.48 USER MOD Set 1.3: A 63 CYS SG : rot 63:sc= -1.85! USER MOD Set 1.4: A 66 CYS SG : rot -114:sc= 2.35 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -0.184 (180deg=-0.829) USER MOD Single : A 32 GLN : amide:sc= 0.459 K(o=0.46,f=-1.6) USER MOD Single : A 37 TYR OH : rot -160:sc= -0.161 USER MOD Single : A 52 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 1.61 (180deg=1.31) USER MOD Single : A 71 SER OG : rot -28:sc= 0.0914 USER MOD Single : A 75 MET CE :methyl 140:sc= -2.2! (180deg=-3.16!) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.928 -7.440 -7.779 1.00 42.41 N ATOM 351 CA TYR A 25 66.136 -8.587 -8.190 1.00 12.14 C ATOM 352 C TYR A 25 65.821 -8.508 -9.680 1.00 32.30 C ATOM 353 O TYR A 25 65.898 -7.435 -10.277 1.00 32.03 O ATOM 354 CB TYR A 25 64.859 -8.680 -7.348 1.00 42.40 C ATOM 355 CG TYR A 25 65.123 -9.101 -5.914 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.435 -10.420 -5.598 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.066 -8.180 -4.875 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.680 -10.807 -4.292 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.310 -8.561 -3.565 1.00 35.34 C ATOM 360 CZ TYR A 25 65.616 -9.873 -3.279 1.00 72.10 C ATOM 361 OH TYR A 25 65.859 -10.252 -1.975 1.00 54.31 O ATOM 0 HA TYR A 25 66.713 -9.496 -8.021 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.358 -7.712 -7.350 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.177 -9.393 -7.810 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.487 -11.156 -6.387 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.827 -7.149 -5.092 1.00 5.11 H new ATOM 0 HE1 TYR A 25 65.920 -11.836 -4.067 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.260 -7.831 -2.771 1.00 35.34 H new ATOM 0 HH TYR A 25 65.774 -9.473 -1.387 1.00 54.31 H new ATOM 371 N LYS A 26 65.503 -9.644 -10.282 1.00 31.42 N ATOM 372 CA LYS A 26 65.226 -9.696 -11.711 1.00 10.43 C ATOM 373 C LYS A 26 63.727 -9.783 -11.977 1.00 64.22 C ATOM 374 O LYS A 26 62.965 -10.298 -11.152 1.00 33.23 O ATOM 375 CB LYS A 26 65.913 -10.906 -12.344 1.00 44.31 C ATOM 376 CG LYS A 26 67.373 -11.061 -11.963 1.00 40.14 C ATOM 377 CD LYS A 26 67.937 -12.370 -12.486 1.00 14.02 C ATOM 378 CE LYS A 26 69.187 -12.782 -11.732 1.00 14.41 C ATOM 379 NZ LYS A 26 68.940 -12.855 -10.268 1.00 2.34 N ATOM 0 H LYS A 26 65.430 -10.542 -9.804 1.00 31.42 H new ATOM 0 HA LYS A 26 65.614 -8.779 -12.154 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.375 -11.808 -12.053 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.838 -10.826 -13.429 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.948 -10.227 -12.365 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.475 -11.025 -10.878 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.184 -13.153 -12.397 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.168 -12.269 -13.546 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.528 -13.752 -12.093 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.986 -12.068 -11.932 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 69.690 -13.417 -9.817 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 68.939 -11.895 -9.868 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 68.018 -13.304 -10.093 1.00 2.34 H new ATOM 393 N LEU A 27 63.319 -9.283 -13.134 1.00 10.35 N ATOM 394 CA LEU A 27 61.947 -9.406 -13.593 1.00 63.42 C ATOM 395 C LEU A 27 61.900 -10.305 -14.827 1.00 12.52 C ATOM 396 O LEU A 27 62.319 -9.909 -15.912 1.00 23.11 O ATOM 397 CB LEU A 27 61.368 -8.026 -13.927 1.00 14.35 C ATOM 398 CG LEU A 27 59.924 -8.022 -14.436 1.00 74.43 C ATOM 399 CD1 LEU A 27 58.967 -8.507 -13.359 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.534 -6.631 -14.911 1.00 64.32 C ATOM 0 H LEU A 27 63.930 -8.782 -13.779 1.00 10.35 H new ATOM 0 HA LEU A 27 61.346 -9.849 -12.799 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.422 -7.403 -13.034 1.00 14.35 H new ATOM 0 HB3 LEU A 27 62.002 -7.558 -14.681 1.00 14.35 H new ATOM 0 HG LEU A 27 59.858 -8.709 -15.280 1.00 74.43 H new ATOM 0 HD11 LEU A 27 57.948 -8.495 -13.745 1.00 23.04 H new ATOM 0 HD12 LEU A 27 59.232 -9.523 -13.067 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.034 -7.851 -12.491 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.505 -6.644 -15.270 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.621 -5.926 -14.084 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.196 -6.324 -15.720 1.00 64.32 H new ATOM 412 N PHE A 28 61.416 -11.523 -14.654 1.00 1.00 N ATOM 413 CA PHE A 28 61.324 -12.468 -15.755 1.00 50.25 C ATOM 414 C PHE A 28 59.933 -12.457 -16.350 1.00 32.34 C ATOM 415 O PHE A 28 58.959 -12.798 -15.682 1.00 14.13 O ATOM 416 CB PHE A 28 61.682 -13.880 -15.293 1.00 13.43 C ATOM 417 CG PHE A 28 63.156 -14.105 -15.156 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.825 -13.730 -14.006 1.00 13.32 C ATOM 419 CD2 PHE A 28 63.873 -14.684 -16.187 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.183 -13.932 -13.884 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.233 -14.889 -16.073 1.00 45.12 C ATOM 422 CZ PHE A 28 65.889 -14.511 -14.918 1.00 30.44 C ATOM 0 H PHE A 28 61.080 -11.882 -13.760 1.00 1.00 H new ATOM 0 HA PHE A 28 62.038 -12.162 -16.520 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.202 -14.073 -14.334 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.276 -14.600 -16.003 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.278 -13.274 -13.194 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.363 -14.979 -17.092 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.694 -13.637 -12.979 1.00 53.31 H new ATOM 0 HE2 PHE A 28 65.782 -15.343 -16.884 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.953 -14.669 -14.824 1.00 30.44 H new ATOM 432 N ARG A 29 59.840 -12.062 -17.605 1.00 72.21 N ATOM 433 CA ARG A 29 58.550 -11.993 -18.264 1.00 15.21 C ATOM 434 C ARG A 29 58.403 -13.133 -19.260 1.00 74.30 C ATOM 435 O ARG A 29 59.251 -13.324 -20.126 1.00 12.12 O ATOM 436 CB ARG A 29 58.371 -10.643 -18.959 1.00 53.45 C ATOM 437 CG ARG A 29 56.955 -10.409 -19.453 1.00 41.44 C ATOM 438 CD ARG A 29 56.795 -9.027 -20.058 1.00 1.41 C ATOM 439 NE ARG A 29 55.389 -8.642 -20.171 1.00 42.11 N ATOM 440 CZ ARG A 29 54.857 -8.054 -21.242 1.00 34.34 C ATOM 441 NH1 ARG A 29 55.589 -7.842 -22.329 1.00 14.43 N ATOM 442 NH2 ARG A 29 53.580 -7.700 -21.229 1.00 21.35 N ATOM 0 H ARG A 29 60.633 -11.787 -18.184 1.00 72.21 H new ATOM 0 HA ARG A 29 57.771 -12.092 -17.509 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.644 -9.846 -18.267 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.058 -10.582 -19.803 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.699 -11.164 -20.196 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.256 -10.527 -18.625 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.323 -8.298 -19.443 1.00 1.41 H new ATOM 0 HD3 ARG A 29 57.258 -9.007 -21.045 1.00 1.41 H new ATOM 0 HE ARG A 29 54.776 -8.836 -19.379 1.00 42.11 H new ATOM 0 HH11 ARG A 29 56.567 -8.130 -22.349 1.00 14.43 H new ATOM 0 HH12 ARG A 29 55.173 -7.391 -23.144 1.00 14.43 H new ATOM 0 HH21 ARG A 29 53.010 -7.878 -20.402 1.00 21.35 H new ATOM 0 HH22 ARG A 29 53.167 -7.250 -22.046 1.00 21.35 H new ATOM 456 N CYS A 30 57.340 -13.904 -19.110 1.00 53.14 N ATOM 457 CA CYS A 30 57.075 -15.025 -20.000 1.00 13.35 C ATOM 458 C CYS A 30 56.727 -14.516 -21.393 1.00 23.11 C ATOM 459 O CYS A 30 55.787 -13.744 -21.560 1.00 13.32 O ATOM 460 CB CYS A 30 55.930 -15.872 -19.444 1.00 24.13 C ATOM 461 SG CYS A 30 55.609 -17.388 -20.373 1.00 1.33 S ATOM 0 H CYS A 30 56.642 -13.775 -18.377 1.00 53.14 H new ATOM 0 HA CYS A 30 57.970 -15.644 -20.068 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.156 -16.134 -18.410 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.022 -15.270 -19.429 1.00 24.13 H new ATOM 0 HG CYS A 30 54.413 -17.818 -20.101 1.00 1.33 H new ATOM 466 N ILE A 31 57.478 -14.962 -22.389 1.00 13.20 N ATOM 467 CA ILE A 31 57.313 -14.474 -23.752 1.00 62.43 C ATOM 468 C ILE A 31 56.077 -15.080 -24.408 1.00 64.12 C ATOM 469 O ILE A 31 55.548 -14.539 -25.380 1.00 21.10 O ATOM 470 CB ILE A 31 58.556 -14.781 -24.619 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.720 -16.292 -24.827 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.801 -14.200 -23.966 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.871 -16.665 -25.738 1.00 74.30 C ATOM 0 H ILE A 31 58.210 -15.663 -22.279 1.00 13.20 H new ATOM 0 HA ILE A 31 57.189 -13.393 -23.688 1.00 62.43 H new ATOM 0 HB ILE A 31 58.417 -14.318 -25.596 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.868 -16.768 -23.858 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.796 -16.694 -25.242 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.672 -14.421 -24.583 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.690 -13.120 -23.868 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.934 -14.642 -22.979 1.00 12.21 H new ATOM 0 HD11 ILE A 31 59.921 -17.749 -25.835 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.716 -16.219 -26.721 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.805 -16.295 -25.315 1.00 74.30 H new ATOM 485 N GLN A 32 55.603 -16.195 -23.861 1.00 51.33 N ATOM 486 CA GLN A 32 54.456 -16.888 -24.432 1.00 23.44 C ATOM 487 C GLN A 32 53.174 -16.116 -24.161 1.00 13.04 C ATOM 488 O GLN A 32 52.202 -16.227 -24.906 1.00 35.13 O ATOM 489 CB GLN A 32 54.332 -18.312 -23.874 1.00 55.24 C ATOM 490 CG GLN A 32 55.531 -19.203 -24.174 1.00 33.15 C ATOM 491 CD GLN A 32 55.922 -19.216 -25.645 1.00 11.55 C ATOM 492 OE1 GLN A 32 55.091 -18.992 -26.530 1.00 42.33 O ATOM 493 NE2 GLN A 32 57.183 -19.517 -25.915 1.00 22.30 N ATOM 0 H GLN A 32 55.994 -16.635 -23.028 1.00 51.33 H new ATOM 0 HA GLN A 32 54.613 -16.952 -25.509 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.195 -18.257 -22.794 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.436 -18.776 -24.286 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.382 -18.865 -23.583 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.306 -20.221 -23.857 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.839 -19.695 -25.154 1.00 22.30 H new ATOM 0 HE22 GLN A 32 57.498 -19.571 -26.884 1.00 22.30 H new ATOM 502 N CYS A 33 53.177 -15.316 -23.102 1.00 2.20 N ATOM 503 CA CYS A 33 51.988 -14.569 -22.725 1.00 22.24 C ATOM 504 C CYS A 33 52.336 -13.161 -22.245 1.00 72.42 C ATOM 505 O CYS A 33 51.906 -12.168 -22.833 1.00 22.31 O ATOM 506 CB CYS A 33 51.204 -15.332 -21.649 1.00 41.11 C ATOM 507 SG CYS A 33 52.182 -15.830 -20.207 1.00 25.30 S ATOM 0 H CYS A 33 53.983 -15.170 -22.495 1.00 2.20 H new ATOM 0 HA CYS A 33 51.362 -14.464 -23.611 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.376 -14.708 -21.311 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.768 -16.223 -22.100 1.00 41.11 H new ATOM 0 HG CYS A 33 51.391 -16.298 -19.287 1.00 25.30 H new ATOM 512 N GLY A 34 53.137 -13.082 -21.199 1.00 75.22 N ATOM 513 CA GLY A 34 53.446 -11.800 -20.606 1.00 61.15 C ATOM 514 C GLY A 34 53.513 -11.859 -19.092 1.00 41.20 C ATOM 515 O GLY A 34 53.681 -10.831 -18.442 1.00 65.41 O ATOM 0 H GLY A 34 53.580 -13.883 -20.748 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.400 -11.445 -20.995 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.690 -11.074 -20.905 1.00 61.15 H new ATOM 519 N PHE A 35 53.361 -13.060 -18.530 1.00 44.34 N ATOM 520 CA PHE A 35 53.452 -13.261 -17.086 1.00 63.14 C ATOM 521 C PHE A 35 54.784 -12.736 -16.554 1.00 62.11 C ATOM 522 O PHE A 35 55.844 -13.269 -16.883 1.00 22.11 O ATOM 523 CB PHE A 35 53.299 -14.753 -16.761 1.00 51.10 C ATOM 524 CG PHE A 35 53.243 -15.064 -15.288 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.057 -14.931 -14.582 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.372 -15.501 -14.614 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.002 -15.224 -13.232 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.321 -15.795 -13.265 1.00 63.43 C ATOM 529 CZ PHE A 35 53.135 -15.657 -12.573 1.00 22.21 C ATOM 0 H PHE A 35 53.173 -13.912 -19.059 1.00 44.34 H new ATOM 0 HA PHE A 35 52.649 -12.706 -16.601 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.390 -15.124 -17.234 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.133 -15.297 -17.204 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.166 -14.595 -15.092 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.303 -15.613 -15.150 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.073 -15.114 -12.693 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.209 -16.133 -12.752 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.093 -15.887 -11.519 1.00 22.21 H new ATOM 539 N GLU A 36 54.716 -11.679 -15.755 1.00 21.30 N ATOM 540 CA GLU A 36 55.904 -11.046 -15.202 1.00 35.33 C ATOM 541 C GLU A 36 56.185 -11.547 -13.792 1.00 44.03 C ATOM 542 O GLU A 36 55.392 -11.335 -12.874 1.00 52.25 O ATOM 543 CB GLU A 36 55.730 -9.526 -15.194 1.00 30.54 C ATOM 544 CG GLU A 36 55.830 -8.894 -16.571 1.00 13.22 C ATOM 545 CD GLU A 36 55.240 -7.501 -16.625 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.905 -6.549 -16.175 1.00 35.32 O ATOM 547 OE2 GLU A 36 54.103 -7.354 -17.123 1.00 54.43 O ATOM 0 H GLU A 36 53.840 -11.239 -15.474 1.00 21.30 H new ATOM 0 HA GLU A 36 56.755 -11.308 -15.831 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.760 -9.282 -14.762 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.488 -9.086 -14.546 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.877 -8.851 -16.870 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.318 -9.528 -17.294 1.00 13.22 H new ATOM 554 N TYR A 37 57.308 -12.225 -13.636 1.00 71.04 N ATOM 555 CA TYR A 37 57.744 -12.701 -12.337 1.00 2.31 C ATOM 556 C TYR A 37 58.864 -11.824 -11.801 1.00 2.10 C ATOM 557 O TYR A 37 59.926 -11.720 -12.409 1.00 33.24 O ATOM 558 CB TYR A 37 58.223 -14.156 -12.423 1.00 64.22 C ATOM 559 CG TYR A 37 58.930 -14.634 -11.168 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.215 -15.120 -10.083 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.318 -14.585 -11.070 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.861 -15.543 -8.936 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.970 -15.006 -9.927 1.00 42.11 C ATOM 564 CZ TYR A 37 60.238 -15.482 -8.864 1.00 3.33 C ATOM 565 OH TYR A 37 60.883 -15.900 -7.723 1.00 35.44 O ATOM 0 H TYR A 37 57.940 -12.460 -14.402 1.00 71.04 H new ATOM 0 HA TYR A 37 56.894 -12.652 -11.657 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.366 -14.802 -12.617 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.898 -14.259 -13.273 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.137 -15.169 -10.135 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.895 -14.211 -11.903 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.290 -15.920 -8.100 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.047 -14.962 -9.868 1.00 42.11 H new ATOM 0 HH TYR A 37 61.780 -15.506 -7.691 1.00 35.44 H new ATOM 575 N ASP A 38 58.615 -11.193 -10.671 1.00 70.50 N ATOM 576 CA ASP A 38 59.636 -10.412 -9.990 1.00 10.30 C ATOM 577 C ASP A 38 60.207 -11.229 -8.837 1.00 4.53 C ATOM 578 O ASP A 38 59.452 -11.776 -8.033 1.00 73.13 O ATOM 579 CB ASP A 38 59.043 -9.094 -9.481 1.00 64.12 C ATOM 580 CG ASP A 38 59.982 -8.344 -8.560 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.832 -7.577 -9.054 1.00 51.42 O ATOM 582 OD2 ASP A 38 59.862 -8.519 -7.335 1.00 30.54 O ATOM 0 H ASP A 38 57.710 -11.204 -10.200 1.00 70.50 H new ATOM 0 HA ASP A 38 60.439 -10.173 -10.687 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.794 -8.461 -10.332 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.112 -9.300 -8.953 1.00 64.12 H new ATOM 587 N GLU A 39 61.530 -11.336 -8.773 1.00 21.24 N ATOM 588 CA GLU A 39 62.186 -12.151 -7.743 1.00 73.35 C ATOM 589 C GLU A 39 61.864 -11.660 -6.326 1.00 61.05 C ATOM 590 O GLU A 39 61.785 -12.459 -5.389 1.00 14.23 O ATOM 591 CB GLU A 39 63.704 -12.164 -7.944 1.00 3.15 C ATOM 592 CG GLU A 39 64.183 -13.008 -9.118 1.00 2.32 C ATOM 593 CD GLU A 39 65.699 -13.037 -9.220 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.331 -11.974 -9.055 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.272 -14.120 -9.456 1.00 42.02 O ATOM 0 H GLU A 39 62.171 -10.873 -9.417 1.00 21.24 H new ATOM 0 HA GLU A 39 61.795 -13.163 -7.849 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.047 -11.139 -8.087 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.174 -12.533 -7.033 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.808 -14.026 -9.009 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.765 -12.611 -10.043 1.00 2.32 H new ATOM 602 N ALA A 40 61.663 -10.357 -6.172 1.00 41.21 N ATOM 603 CA ALA A 40 61.411 -9.775 -4.860 1.00 41.44 C ATOM 604 C ALA A 40 60.005 -10.112 -4.375 1.00 73.14 C ATOM 605 O ALA A 40 59.802 -10.385 -3.195 1.00 63.31 O ATOM 606 CB ALA A 40 61.616 -8.268 -4.896 1.00 64.54 C ATOM 0 H ALA A 40 61.670 -9.684 -6.939 1.00 41.21 H new ATOM 0 HA ALA A 40 62.124 -10.205 -4.157 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.423 -7.851 -3.908 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.642 -8.047 -5.189 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.929 -7.825 -5.617 1.00 64.54 H new ATOM 612 N LEU A 41 59.041 -10.081 -5.287 1.00 35.01 N ATOM 613 CA LEU A 41 57.660 -10.420 -4.957 1.00 43.03 C ATOM 614 C LEU A 41 57.471 -11.933 -4.888 1.00 41.24 C ATOM 615 O LEU A 41 56.748 -12.440 -4.028 1.00 5.12 O ATOM 616 CB LEU A 41 56.700 -9.819 -5.989 1.00 54.42 C ATOM 617 CG LEU A 41 56.697 -8.291 -6.064 1.00 52.33 C ATOM 618 CD1 LEU A 41 55.719 -7.816 -7.128 1.00 54.05 C ATOM 619 CD2 LEU A 41 56.348 -7.691 -4.711 1.00 50.10 C ATOM 0 H LEU A 41 59.189 -9.824 -6.263 1.00 35.01 H new ATOM 0 HA LEU A 41 57.436 -9.999 -3.977 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.955 -10.214 -6.972 1.00 54.42 H new ATOM 0 HB3 LEU A 41 55.689 -10.158 -5.762 1.00 54.42 H new ATOM 0 HG LEU A 41 57.697 -7.956 -6.339 1.00 52.33 H new ATOM 0 HD11 LEU A 41 55.728 -6.727 -7.170 1.00 54.05 H new ATOM 0 HD12 LEU A 41 56.012 -8.219 -8.097 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.715 -8.162 -6.880 1.00 54.05 H new ATOM 0 HD21 LEU A 41 56.351 -6.603 -4.784 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.359 -8.032 -4.406 1.00 50.10 H new ATOM 0 HD23 LEU A 41 57.084 -8.007 -3.972 1.00 50.10 H new ATOM 631 N GLY A 42 58.122 -12.643 -5.797 1.00 60.35 N ATOM 632 CA GLY A 42 58.038 -14.087 -5.813 1.00 65.42 C ATOM 633 C GLY A 42 56.700 -14.581 -6.328 1.00 1.31 C ATOM 634 O GLY A 42 55.970 -13.843 -6.994 1.00 22.32 O ATOM 0 H GLY A 42 58.710 -12.241 -6.527 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.836 -14.488 -6.438 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.200 -14.469 -4.805 1.00 65.42 H new ATOM 638 N TRP A 43 56.380 -15.828 -6.017 1.00 34.01 N ATOM 639 CA TRP A 43 55.095 -16.408 -6.371 1.00 72.13 C ATOM 640 C TRP A 43 54.778 -17.534 -5.395 1.00 1.53 C ATOM 641 O TRP A 43 54.987 -18.717 -5.683 1.00 0.54 O ATOM 642 CB TRP A 43 55.095 -16.928 -7.813 1.00 22.21 C ATOM 643 CG TRP A 43 53.729 -17.294 -8.307 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.228 -18.552 -8.480 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.685 -16.390 -8.684 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.936 -18.485 -8.943 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.581 -17.167 -9.078 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.576 -14.994 -8.730 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.383 -16.600 -9.508 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.386 -14.433 -9.157 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.304 -15.234 -9.542 1.00 72.01 C ATOM 0 H TRP A 43 57.001 -16.463 -5.515 1.00 34.01 H new ATOM 0 HA TRP A 43 54.328 -15.637 -6.307 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.519 -16.166 -8.467 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.744 -17.801 -7.878 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.768 -19.466 -8.282 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.338 -19.285 -9.152 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.406 -14.368 -8.437 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.547 -17.216 -9.804 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.290 -13.358 -9.194 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.389 -14.765 -9.872 1.00 72.01 H new ATOM 662 N PRO A 44 54.288 -17.172 -4.204 1.00 45.41 N ATOM 663 CA PRO A 44 54.119 -18.109 -3.103 1.00 41.22 C ATOM 664 C PRO A 44 52.912 -19.007 -3.298 1.00 43.31 C ATOM 665 O PRO A 44 52.729 -19.979 -2.571 1.00 52.04 O ATOM 666 CB PRO A 44 53.927 -17.214 -1.869 1.00 1.41 C ATOM 667 CG PRO A 44 54.020 -15.800 -2.352 1.00 43.31 C ATOM 668 CD PRO A 44 53.844 -15.826 -3.842 1.00 12.02 C ATOM 0 HA PRO A 44 54.972 -18.782 -3.016 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.961 -17.401 -1.400 1.00 1.41 H new ATOM 0 HB3 PRO A 44 54.690 -17.419 -1.118 1.00 1.41 H new ATOM 0 HG2 PRO A 44 53.252 -15.183 -1.885 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.984 -15.366 -2.086 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.807 -15.653 -4.129 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.443 -15.058 -4.332 1.00 12.02 H new ATOM 676 N GLU A 45 52.091 -18.668 -4.286 1.00 52.10 N ATOM 677 CA GLU A 45 50.943 -19.488 -4.644 1.00 33.11 C ATOM 678 C GLU A 45 51.388 -20.910 -4.965 1.00 32.45 C ATOM 679 O GLU A 45 50.743 -21.881 -4.569 1.00 53.21 O ATOM 680 CB GLU A 45 50.209 -18.891 -5.844 1.00 63.41 C ATOM 681 CG GLU A 45 49.758 -17.456 -5.635 1.00 44.43 C ATOM 682 CD GLU A 45 48.954 -17.273 -4.364 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.855 -17.859 -4.253 1.00 63.33 O ATOM 684 OE2 GLU A 45 49.417 -16.537 -3.468 1.00 61.31 O ATOM 0 H GLU A 45 52.201 -17.828 -4.854 1.00 52.10 H new ATOM 0 HA GLU A 45 50.262 -19.512 -3.793 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.862 -18.933 -6.715 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.338 -19.507 -6.068 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.632 -16.806 -5.603 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.157 -17.141 -6.488 1.00 44.43 H new ATOM 691 N ASP A 46 52.511 -21.024 -5.668 1.00 54.25 N ATOM 692 CA ASP A 46 53.053 -22.330 -6.026 1.00 30.40 C ATOM 693 C ASP A 46 54.100 -22.774 -5.005 1.00 61.32 C ATOM 694 O ASP A 46 54.398 -23.963 -4.878 1.00 73.23 O ATOM 695 CB ASP A 46 53.662 -22.295 -7.429 1.00 23.20 C ATOM 696 CG ASP A 46 54.006 -23.675 -7.946 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.078 -24.492 -8.131 1.00 44.11 O ATOM 698 OD2 ASP A 46 55.200 -23.947 -8.171 1.00 44.22 O ATOM 0 H ASP A 46 53.061 -20.232 -6.000 1.00 54.25 H new ATOM 0 HA ASP A 46 52.236 -23.051 -6.022 1.00 30.40 H new ATOM 0 HB2 ASP A 46 52.961 -21.818 -8.114 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.562 -21.681 -7.416 1.00 23.20 H new ATOM 703 N GLY A 47 54.651 -21.816 -4.270 1.00 73.12 N ATOM 704 CA GLY A 47 55.594 -22.147 -3.220 1.00 12.11 C ATOM 705 C GLY A 47 56.825 -21.263 -3.221 1.00 64.11 C ATOM 706 O GLY A 47 57.612 -21.287 -2.277 1.00 22.42 O ATOM 0 H GLY A 47 54.463 -20.820 -4.382 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.096 -22.064 -2.254 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.901 -23.187 -3.332 1.00 12.11 H new ATOM 710 N ILE A 48 56.992 -20.479 -4.276 1.00 0.01 N ATOM 711 CA ILE A 48 58.155 -19.614 -4.410 1.00 25.24 C ATOM 712 C ILE A 48 58.014 -18.377 -3.526 1.00 62.01 C ATOM 713 O ILE A 48 57.259 -17.455 -3.838 1.00 62.43 O ATOM 714 CB ILE A 48 58.386 -19.193 -5.883 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.888 -20.377 -6.716 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.379 -18.045 -5.972 1.00 22.34 C ATOM 717 CD1 ILE A 48 57.834 -21.412 -7.053 1.00 43.03 C ATOM 0 H ILE A 48 56.335 -20.424 -5.054 1.00 0.01 H new ATOM 0 HA ILE A 48 59.024 -20.185 -4.083 1.00 25.24 H new ATOM 0 HB ILE A 48 57.429 -18.860 -6.284 1.00 14.52 H new ATOM 0 HG12 ILE A 48 59.312 -19.995 -7.645 1.00 71.30 H new ATOM 0 HG13 ILE A 48 59.697 -20.867 -6.174 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.523 -17.769 -7.017 1.00 22.34 H new ATOM 0 HG22 ILE A 48 58.994 -17.188 -5.420 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.332 -18.354 -5.544 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.284 -22.210 -7.644 1.00 43.03 H new ATOM 0 HD12 ILE A 48 57.425 -21.828 -6.132 1.00 43.03 H new ATOM 0 HD13 ILE A 48 57.034 -20.943 -7.626 1.00 43.03 H new ATOM 729 N ALA A 49 58.737 -18.372 -2.416 1.00 31.20 N ATOM 730 CA ALA A 49 58.658 -17.281 -1.455 1.00 5.11 C ATOM 731 C ALA A 49 59.304 -16.009 -1.997 1.00 32.55 C ATOM 732 O ALA A 49 60.225 -16.062 -2.818 1.00 44.13 O ATOM 733 CB ALA A 49 59.302 -17.693 -0.140 1.00 50.42 C ATOM 0 H ALA A 49 59.387 -19.114 -2.158 1.00 31.20 H new ATOM 0 HA ALA A 49 57.605 -17.063 -1.279 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.237 -16.869 0.571 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.782 -18.562 0.263 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.349 -17.943 -0.310 1.00 50.42 H new ATOM 739 N ALA A 50 58.814 -14.869 -1.530 1.00 43.33 N ATOM 740 CA ALA A 50 59.325 -13.574 -1.956 1.00 31.42 C ATOM 741 C ALA A 50 60.814 -13.458 -1.648 1.00 65.35 C ATOM 742 O ALA A 50 61.228 -13.583 -0.493 1.00 33.24 O ATOM 743 CB ALA A 50 58.546 -12.459 -1.275 1.00 12.13 C ATOM 0 H ALA A 50 58.056 -14.816 -0.850 1.00 43.33 H new ATOM 0 HA ALA A 50 59.195 -13.482 -3.034 1.00 31.42 H new ATOM 0 HB1 ALA A 50 58.934 -11.493 -1.599 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.492 -12.535 -1.543 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.652 -12.549 -0.194 1.00 12.13 H new ATOM 749 N GLY A 51 61.613 -13.233 -2.679 1.00 23.11 N ATOM 750 CA GLY A 51 63.044 -13.155 -2.497 1.00 51.21 C ATOM 751 C GLY A 51 63.759 -14.363 -3.062 1.00 12.22 C ATOM 752 O GLY A 51 64.987 -14.389 -3.120 1.00 44.15 O ATOM 0 H GLY A 51 61.294 -13.103 -3.639 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.421 -12.253 -2.979 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.269 -13.066 -1.434 1.00 51.21 H new ATOM 756 N THR A 52 62.995 -15.376 -3.464 1.00 34.23 N ATOM 757 CA THR A 52 63.576 -16.556 -4.093 1.00 72.11 C ATOM 758 C THR A 52 64.150 -16.204 -5.465 1.00 32.45 C ATOM 759 O THR A 52 63.459 -15.635 -6.313 1.00 11.25 O ATOM 760 CB THR A 52 62.537 -17.688 -4.245 1.00 4.53 C ATOM 761 OG1 THR A 52 62.001 -18.034 -2.961 1.00 61.21 O ATOM 762 CG2 THR A 52 63.155 -18.924 -4.883 1.00 63.31 C ATOM 0 H THR A 52 61.980 -15.403 -3.366 1.00 34.23 H new ATOM 0 HA THR A 52 64.377 -16.909 -3.443 1.00 72.11 H new ATOM 0 HB THR A 52 61.740 -17.326 -4.895 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.483 -17.280 -2.609 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.398 -19.703 -4.976 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.538 -18.670 -5.871 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.972 -19.285 -4.259 1.00 63.31 H new ATOM 770 N ARG A 53 65.422 -16.524 -5.660 1.00 11.11 N ATOM 771 CA ARG A 53 66.092 -16.256 -6.923 1.00 1.42 C ATOM 772 C ARG A 53 65.609 -17.201 -8.013 1.00 24.11 C ATOM 773 O ARG A 53 65.241 -18.346 -7.743 1.00 33.21 O ATOM 774 CB ARG A 53 67.608 -16.400 -6.768 1.00 42.33 C ATOM 775 CG ARG A 53 68.252 -15.323 -5.911 1.00 70.11 C ATOM 776 CD ARG A 53 68.014 -13.940 -6.488 1.00 62.02 C ATOM 777 NE ARG A 53 68.923 -12.949 -5.919 1.00 73.44 N ATOM 778 CZ ARG A 53 69.147 -11.753 -6.459 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.426 -11.342 -7.494 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.068 -10.948 -5.940 1.00 20.33 N ATOM 0 H ARG A 53 66.011 -16.971 -4.957 1.00 11.11 H new ATOM 0 HA ARG A 53 65.850 -15.233 -7.211 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.826 -17.375 -6.331 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.066 -16.384 -7.757 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.849 -15.371 -4.900 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.324 -15.508 -5.836 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.142 -13.971 -7.570 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.984 -13.639 -6.297 1.00 62.02 H new ATOM 0 HE ARG A 53 69.415 -13.187 -5.058 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.697 -11.943 -7.879 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.600 -10.425 -7.905 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.605 -11.246 -5.126 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.238 -10.032 -6.356 1.00 20.33 H new ATOM 794 N TRP A 54 65.641 -16.718 -9.245 1.00 75.02 N ATOM 795 CA TRP A 54 65.303 -17.523 -10.412 1.00 4.51 C ATOM 796 C TRP A 54 66.313 -18.655 -10.566 1.00 51.50 C ATOM 797 O TRP A 54 66.022 -19.702 -11.151 1.00 53.22 O ATOM 798 CB TRP A 54 65.308 -16.630 -11.653 1.00 14.02 C ATOM 799 CG TRP A 54 64.731 -17.267 -12.877 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.420 -17.845 -13.901 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.345 -17.377 -13.211 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.547 -18.304 -14.856 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.264 -18.028 -14.452 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.163 -16.985 -12.576 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.044 -18.294 -15.074 1.00 72.10 C ATOM 806 CZ3 TRP A 54 60.957 -17.249 -13.192 1.00 62.21 C ATOM 807 CH2 TRP A 54 60.905 -17.899 -14.428 1.00 44.10 C ATOM 0 H TRP A 54 65.902 -15.757 -9.466 1.00 75.02 H new ATOM 0 HA TRP A 54 64.311 -17.958 -10.288 1.00 4.51 H new ATOM 0 HB2 TRP A 54 64.748 -15.721 -11.433 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.334 -16.329 -11.865 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.495 -17.930 -13.954 1.00 3.31 H new ATOM 0 HE1 TRP A 54 64.809 -18.773 -15.723 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.193 -16.484 -11.620 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.000 -18.794 -16.031 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.038 -16.948 -12.711 1.00 62.21 H new ATOM 0 HH2 TRP A 54 59.945 -18.094 -14.883 1.00 44.10 H new ATOM 818 N ASP A 55 67.503 -18.424 -10.024 1.00 34.41 N ATOM 819 CA ASP A 55 68.578 -19.409 -10.033 1.00 13.53 C ATOM 820 C ASP A 55 68.262 -20.551 -9.076 1.00 43.20 C ATOM 821 O ASP A 55 68.746 -21.671 -9.241 1.00 13.14 O ATOM 822 CB ASP A 55 69.899 -18.755 -9.621 1.00 34.21 C ATOM 823 CG ASP A 55 70.207 -17.505 -10.418 1.00 1.12 C ATOM 824 OD1 ASP A 55 69.698 -16.427 -10.052 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.962 -17.595 -11.408 1.00 31.22 O ATOM 0 H ASP A 55 67.750 -17.547 -9.565 1.00 34.41 H new ATOM 0 HA ASP A 55 68.669 -19.804 -11.045 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.860 -18.504 -8.561 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.710 -19.472 -9.750 1.00 34.21 H new ATOM 830 N ASP A 56 67.457 -20.252 -8.064 1.00 74.00 N ATOM 831 CA ASP A 56 67.072 -21.243 -7.066 1.00 13.50 C ATOM 832 C ASP A 56 65.934 -22.094 -7.608 1.00 35.01 C ATOM 833 O ASP A 56 65.896 -23.311 -7.416 1.00 73.34 O ATOM 834 CB ASP A 56 66.641 -20.555 -5.768 1.00 10.43 C ATOM 835 CG ASP A 56 66.544 -21.513 -4.599 1.00 24.32 C ATOM 836 OD1 ASP A 56 65.502 -22.181 -4.447 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.517 -21.592 -3.818 1.00 45.42 O ATOM 0 H ASP A 56 67.056 -19.326 -7.912 1.00 74.00 H new ATOM 0 HA ASP A 56 67.929 -21.881 -6.850 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.353 -19.766 -5.527 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.674 -20.076 -5.920 1.00 10.43 H new ATOM 842 N ILE A 57 65.019 -21.426 -8.299 1.00 54.25 N ATOM 843 CA ILE A 57 63.889 -22.078 -8.946 1.00 24.31 C ATOM 844 C ILE A 57 64.371 -23.080 -9.994 1.00 43.24 C ATOM 845 O ILE A 57 65.187 -22.740 -10.852 1.00 14.33 O ATOM 846 CB ILE A 57 62.977 -21.031 -9.628 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.470 -20.015 -8.602 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.807 -21.708 -10.328 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.642 -18.901 -9.208 1.00 14.05 C ATOM 0 H ILE A 57 65.040 -20.414 -8.426 1.00 54.25 H new ATOM 0 HA ILE A 57 63.324 -22.606 -8.178 1.00 24.31 H new ATOM 0 HB ILE A 57 63.565 -20.504 -10.379 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.872 -20.535 -7.854 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.323 -19.580 -8.082 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.179 -20.953 -10.800 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.184 -22.393 -11.087 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.219 -22.264 -9.598 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.317 -18.220 -8.421 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.243 -18.355 -9.936 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.769 -19.325 -9.704 1.00 14.05 H new ATOM 861 N PRO A 58 63.869 -24.322 -9.949 1.00 63.44 N ATOM 862 CA PRO A 58 64.293 -25.370 -10.883 1.00 3.44 C ATOM 863 C PRO A 58 63.784 -25.112 -12.300 1.00 51.00 C ATOM 864 O PRO A 58 62.688 -24.585 -12.484 1.00 45.01 O ATOM 865 CB PRO A 58 63.664 -26.638 -10.304 1.00 24.00 C ATOM 866 CG PRO A 58 62.482 -26.166 -9.525 1.00 73.11 C ATOM 867 CD PRO A 58 62.838 -24.798 -9.005 1.00 50.42 C ATOM 0 HA PRO A 58 65.378 -25.427 -10.975 1.00 3.44 H new ATOM 0 HB2 PRO A 58 63.365 -27.326 -11.095 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.369 -27.172 -9.666 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.593 -26.124 -10.154 1.00 73.11 H new ATOM 0 HG3 PRO A 58 62.259 -26.848 -8.705 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.972 -24.137 -8.992 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.220 -24.844 -7.985 1.00 50.42 H new ATOM 875 N ASP A 59 64.574 -25.489 -13.303 1.00 25.01 N ATOM 876 CA ASP A 59 64.184 -25.275 -14.699 1.00 41.44 C ATOM 877 C ASP A 59 63.057 -26.219 -15.096 1.00 34.41 C ATOM 878 O ASP A 59 62.484 -26.105 -16.181 1.00 72.22 O ATOM 879 CB ASP A 59 65.382 -25.418 -15.653 1.00 1.55 C ATOM 880 CG ASP A 59 65.987 -26.809 -15.678 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.788 -27.129 -14.773 1.00 11.32 O ATOM 882 OD2 ASP A 59 65.698 -27.574 -16.616 1.00 4.21 O ATOM 0 H ASP A 59 65.480 -25.940 -13.180 1.00 25.01 H new ATOM 0 HA ASP A 59 63.820 -24.251 -14.785 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.064 -25.153 -16.661 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.152 -24.703 -15.363 1.00 1.55 H new ATOM 887 N ASP A 60 62.740 -27.142 -14.199 1.00 32.43 N ATOM 888 CA ASP A 60 61.590 -28.021 -14.365 1.00 54.13 C ATOM 889 C ASP A 60 60.291 -27.272 -14.064 1.00 24.24 C ATOM 890 O ASP A 60 59.217 -27.641 -14.545 1.00 12.35 O ATOM 891 CB ASP A 60 61.737 -29.238 -13.448 1.00 23.23 C ATOM 892 CG ASP A 60 60.530 -30.155 -13.488 1.00 23.22 C ATOM 893 OD1 ASP A 60 60.281 -30.778 -14.542 1.00 70.35 O ATOM 894 OD2 ASP A 60 59.829 -30.259 -12.457 1.00 42.45 O ATOM 0 H ASP A 60 63.268 -27.303 -13.341 1.00 32.43 H new ATOM 0 HA ASP A 60 61.549 -28.360 -15.400 1.00 54.13 H new ATOM 0 HB2 ASP A 60 62.624 -29.801 -13.738 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.896 -28.899 -12.424 1.00 23.23 H new ATOM 899 N TRP A 61 60.401 -26.200 -13.281 1.00 5.24 N ATOM 900 CA TRP A 61 59.249 -25.381 -12.924 1.00 42.43 C ATOM 901 C TRP A 61 58.755 -24.613 -14.144 1.00 33.21 C ATOM 902 O TRP A 61 59.552 -24.060 -14.906 1.00 22.24 O ATOM 903 CB TRP A 61 59.630 -24.412 -11.799 1.00 54.42 C ATOM 904 CG TRP A 61 58.520 -23.503 -11.354 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.474 -23.817 -10.534 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.362 -22.114 -11.682 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.679 -22.720 -10.336 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.200 -21.661 -11.028 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.090 -21.211 -12.462 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.752 -20.347 -11.134 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.643 -19.909 -12.566 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.484 -19.486 -11.903 1.00 25.01 C ATOM 0 H TRP A 61 61.283 -25.879 -12.881 1.00 5.24 H new ATOM 0 HA TRP A 61 58.445 -26.028 -12.573 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.975 -24.989 -10.941 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.470 -23.802 -12.131 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.299 -24.792 -10.103 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.834 -22.696 -9.765 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.987 -21.526 -12.975 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.857 -20.019 -10.626 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.197 -19.204 -13.169 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.162 -18.460 -12.001 1.00 25.01 H new ATOM 923 N SER A 62 57.448 -24.594 -14.334 1.00 54.20 N ATOM 924 CA SER A 62 56.864 -23.922 -15.477 1.00 3.30 C ATOM 925 C SER A 62 55.983 -22.762 -15.025 1.00 13.23 C ATOM 926 O SER A 62 55.544 -22.713 -13.876 1.00 63.43 O ATOM 927 CB SER A 62 56.051 -24.914 -16.313 1.00 63.43 C ATOM 928 OG SER A 62 56.792 -26.103 -16.540 1.00 64.32 O ATOM 0 H SER A 62 56.772 -25.036 -13.711 1.00 54.20 H new ATOM 0 HA SER A 62 57.669 -23.521 -16.092 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.119 -25.152 -15.800 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.782 -24.459 -17.266 1.00 63.43 H new ATOM 0 HG SER A 62 56.256 -26.726 -17.074 1.00 64.32 H new ATOM 934 N CYS A 63 55.753 -21.829 -15.939 1.00 24.15 N ATOM 935 CA CYS A 63 54.894 -20.680 -15.695 1.00 63.43 C ATOM 936 C CYS A 63 53.507 -21.128 -15.242 1.00 24.51 C ATOM 937 O CYS A 63 52.811 -21.828 -15.973 1.00 44.14 O ATOM 938 CB CYS A 63 54.785 -19.850 -16.979 1.00 63.12 C ATOM 939 SG CYS A 63 53.748 -18.379 -16.844 1.00 13.20 S ATOM 0 H CYS A 63 56.159 -21.849 -16.874 1.00 24.15 H new ATOM 0 HA CYS A 63 55.330 -20.073 -14.901 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.786 -19.545 -17.284 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.390 -20.484 -17.772 1.00 63.12 H new ATOM 0 HG CYS A 63 54.260 -17.566 -15.968 1.00 13.20 H new ATOM 944 N PRO A 64 53.093 -20.735 -14.026 1.00 12.23 N ATOM 945 CA PRO A 64 51.763 -21.063 -13.488 1.00 52.51 C ATOM 946 C PRO A 64 50.617 -20.562 -14.375 1.00 52.22 C ATOM 947 O PRO A 64 49.472 -20.982 -14.218 1.00 21.33 O ATOM 948 CB PRO A 64 51.739 -20.341 -12.137 1.00 2.43 C ATOM 949 CG PRO A 64 53.167 -20.164 -11.766 1.00 63.34 C ATOM 950 CD PRO A 64 53.905 -19.974 -13.061 1.00 75.23 C ATOM 0 HA PRO A 64 51.615 -22.141 -13.422 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.230 -19.380 -12.213 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.207 -20.926 -11.387 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.297 -19.302 -11.111 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.542 -21.034 -11.226 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.974 -18.921 -13.335 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.924 -20.356 -13.003 1.00 75.23 H new ATOM 958 N ASP A 65 50.935 -19.668 -15.302 1.00 62.43 N ATOM 959 CA ASP A 65 49.936 -19.089 -16.192 1.00 4.14 C ATOM 960 C ASP A 65 49.699 -19.968 -17.421 1.00 73.14 C ATOM 961 O ASP A 65 48.594 -20.469 -17.627 1.00 75.43 O ATOM 962 CB ASP A 65 50.373 -17.686 -16.624 1.00 75.11 C ATOM 963 CG ASP A 65 49.453 -17.080 -17.665 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.286 -16.787 -17.336 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.902 -16.876 -18.810 1.00 12.44 O ATOM 0 H ASP A 65 51.883 -19.326 -15.458 1.00 62.43 H new ATOM 0 HA ASP A 65 48.996 -19.025 -15.644 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.405 -17.035 -15.750 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.386 -17.733 -17.024 1.00 75.11 H new ATOM 970 N CYS A 66 50.740 -20.168 -18.226 1.00 24.23 N ATOM 971 CA CYS A 66 50.591 -20.874 -19.499 1.00 44.35 C ATOM 972 C CYS A 66 51.388 -22.179 -19.543 1.00 61.50 C ATOM 973 O CYS A 66 51.425 -22.855 -20.574 1.00 33.10 O ATOM 974 CB CYS A 66 51.032 -19.959 -20.638 1.00 11.53 C ATOM 975 SG CYS A 66 52.659 -19.215 -20.384 1.00 2.42 S ATOM 0 H CYS A 66 51.689 -19.855 -18.023 1.00 24.23 H new ATOM 0 HA CYS A 66 49.539 -21.138 -19.608 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.044 -20.530 -21.567 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.295 -19.166 -20.761 1.00 11.53 H new ATOM 0 HG CYS A 66 52.531 -17.929 -20.247 1.00 2.42 H new ATOM 980 N GLY A 67 52.022 -22.528 -18.431 1.00 11.35 N ATOM 981 CA GLY A 67 52.805 -23.754 -18.365 1.00 2.21 C ATOM 982 C GLY A 67 53.996 -23.744 -19.308 1.00 45.15 C ATOM 983 O GLY A 67 54.308 -24.752 -19.936 1.00 12.15 O ATOM 0 H GLY A 67 52.010 -21.984 -17.568 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.157 -23.900 -17.344 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.164 -24.602 -18.606 1.00 2.21 H new ATOM 987 N ALA A 68 54.645 -22.598 -19.424 1.00 3.21 N ATOM 988 CA ALA A 68 55.847 -22.474 -20.237 1.00 51.33 C ATOM 989 C ALA A 68 57.081 -22.606 -19.355 1.00 24.02 C ATOM 990 O ALA A 68 57.035 -22.264 -18.178 1.00 24.41 O ATOM 991 CB ALA A 68 55.850 -21.144 -20.969 1.00 22.41 C ATOM 0 H ALA A 68 54.359 -21.734 -18.963 1.00 3.21 H new ATOM 0 HA ALA A 68 55.862 -23.272 -20.979 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.754 -21.063 -21.573 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.974 -21.082 -21.615 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.824 -20.330 -20.245 1.00 22.41 H new ATOM 997 N ALA A 69 58.176 -23.090 -19.920 1.00 63.43 N ATOM 998 CA ALA A 69 59.385 -23.345 -19.144 1.00 14.25 C ATOM 999 C ALA A 69 60.098 -22.043 -18.798 1.00 45.14 C ATOM 1000 O ALA A 69 59.745 -20.981 -19.310 1.00 64.45 O ATOM 1001 CB ALA A 69 60.317 -24.272 -19.914 1.00 43.25 C ATOM 0 H ALA A 69 58.255 -23.315 -20.912 1.00 63.43 H new ATOM 0 HA ALA A 69 59.096 -23.829 -18.211 1.00 14.25 H new ATOM 0 HB1 ALA A 69 61.216 -24.455 -19.325 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.811 -25.218 -20.108 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.592 -23.807 -20.861 1.00 43.25 H new ATOM 1007 N LYS A 70 61.110 -22.126 -17.938 1.00 44.04 N ATOM 1008 CA LYS A 70 61.871 -20.941 -17.541 1.00 2.40 C ATOM 1009 C LYS A 70 62.537 -20.296 -18.753 1.00 33.52 C ATOM 1010 O LYS A 70 62.727 -19.079 -18.802 1.00 53.10 O ATOM 1011 CB LYS A 70 62.939 -21.285 -16.496 1.00 2.20 C ATOM 1012 CG LYS A 70 62.388 -21.837 -15.190 1.00 4.42 C ATOM 1013 CD LYS A 70 63.335 -21.551 -14.024 1.00 65.43 C ATOM 1014 CE LYS A 70 64.756 -22.012 -14.315 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.708 -21.635 -13.236 1.00 61.24 N ATOM 0 H LYS A 70 61.422 -22.995 -17.504 1.00 44.04 H new ATOM 0 HA LYS A 70 61.166 -20.237 -17.099 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.626 -22.015 -16.924 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.521 -20.389 -16.280 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.413 -21.393 -14.987 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.236 -22.912 -15.282 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.337 -20.482 -13.813 1.00 65.43 H new ATOM 0 HD3 LYS A 70 62.968 -22.052 -13.128 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.765 -23.095 -14.441 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.090 -21.578 -15.258 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.664 -21.540 -13.634 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.416 -20.729 -12.816 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.711 -22.372 -12.502 1.00 61.24 H new ATOM 1029 N SER A 71 62.871 -21.118 -19.741 1.00 24.44 N ATOM 1030 CA SER A 71 63.532 -20.642 -20.945 1.00 74.02 C ATOM 1031 C SER A 71 62.567 -19.822 -21.798 1.00 74.23 C ATOM 1032 O SER A 71 62.979 -19.137 -22.734 1.00 30.43 O ATOM 1033 CB SER A 71 64.085 -21.822 -21.748 1.00 35.23 C ATOM 1034 OG SER A 71 64.901 -21.377 -22.820 1.00 35.24 O ATOM 0 H SER A 71 62.693 -22.122 -19.729 1.00 24.44 H new ATOM 0 HA SER A 71 64.363 -19.999 -20.653 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.665 -22.472 -21.092 1.00 35.23 H new ATOM 0 HB3 SER A 71 63.260 -22.418 -22.139 1.00 35.23 H new ATOM 0 HG SER A 71 64.604 -20.490 -23.111 1.00 35.24 H new ATOM 1040 N ASP A 72 61.285 -19.894 -21.463 1.00 22.41 N ATOM 1041 CA ASP A 72 60.268 -19.119 -22.152 1.00 53.55 C ATOM 1042 C ASP A 72 60.061 -17.787 -21.446 1.00 72.53 C ATOM 1043 O ASP A 72 59.144 -17.033 -21.768 1.00 51.33 O ATOM 1044 CB ASP A 72 58.947 -19.890 -22.215 1.00 31.01 C ATOM 1045 CG ASP A 72 59.039 -21.133 -23.075 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.784 -21.031 -24.291 1.00 20.11 O ATOM 1047 OD2 ASP A 72 59.364 -22.216 -22.540 1.00 14.24 O ATOM 0 H ASP A 72 60.926 -20.486 -20.714 1.00 22.41 H new ATOM 0 HA ASP A 72 60.607 -18.935 -23.171 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.647 -20.172 -21.206 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.168 -19.237 -22.609 1.00 31.01 H new ATOM 1052 N PHE A 73 60.908 -17.514 -20.464 1.00 54.42 N ATOM 1053 CA PHE A 73 60.911 -16.226 -19.792 1.00 32.03 C ATOM 1054 C PHE A 73 62.085 -15.393 -20.278 1.00 41.43 C ATOM 1055 O PHE A 73 63.133 -15.934 -20.643 1.00 33.41 O ATOM 1056 CB PHE A 73 61.003 -16.394 -18.274 1.00 12.00 C ATOM 1057 CG PHE A 73 59.737 -16.873 -17.624 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.345 -18.197 -17.717 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.941 -15.990 -16.912 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.184 -18.636 -17.108 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.780 -16.420 -16.300 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.400 -17.744 -16.399 1.00 32.20 C ATOM 0 H PHE A 73 61.605 -18.172 -20.115 1.00 54.42 H new ATOM 0 HA PHE A 73 59.974 -15.721 -20.028 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.803 -17.099 -18.047 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.285 -15.439 -17.832 1.00 12.00 H new ATOM 0 HD1 PHE A 73 59.953 -18.896 -18.272 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.232 -14.953 -16.835 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.890 -19.672 -17.186 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.170 -15.722 -15.745 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.491 -18.083 -15.923 1.00 32.20 H new ATOM 1072 N GLU A 74 61.915 -14.083 -20.279 1.00 11.30 N ATOM 1073 CA GLU A 74 62.985 -13.177 -20.652 1.00 71.52 C ATOM 1074 C GLU A 74 63.426 -12.380 -19.431 1.00 63.42 C ATOM 1075 O GLU A 74 62.597 -11.987 -18.599 1.00 24.10 O ATOM 1076 CB GLU A 74 62.540 -12.233 -21.775 1.00 55.11 C ATOM 1077 CG GLU A 74 61.343 -11.366 -21.414 1.00 15.31 C ATOM 1078 CD GLU A 74 61.024 -10.340 -22.479 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.720 -9.308 -22.537 1.00 33.13 O ATOM 1080 OE2 GLU A 74 60.076 -10.556 -23.262 1.00 22.12 O ATOM 0 H GLU A 74 61.042 -13.622 -20.024 1.00 11.30 H new ATOM 0 HA GLU A 74 63.826 -13.763 -21.023 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.375 -11.587 -22.046 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.295 -12.824 -22.657 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.473 -12.003 -21.256 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.540 -10.856 -20.471 1.00 15.31 H new ATOM 1087 N MET A 75 64.728 -12.162 -19.317 1.00 1.12 N ATOM 1088 CA MET A 75 65.292 -11.481 -18.162 1.00 0.12 C ATOM 1089 C MET A 75 65.264 -9.972 -18.353 1.00 41.40 C ATOM 1090 O MET A 75 66.053 -9.415 -19.119 1.00 64.03 O ATOM 1091 CB MET A 75 66.727 -11.953 -17.917 1.00 65.23 C ATOM 1092 CG MET A 75 67.381 -11.325 -16.696 1.00 22.24 C ATOM 1093 SD MET A 75 69.093 -11.853 -16.479 1.00 62.41 S ATOM 1094 CE MET A 75 68.895 -13.632 -16.370 1.00 41.21 C ATOM 0 H MET A 75 65.416 -12.448 -20.014 1.00 1.12 H new ATOM 0 HA MET A 75 64.683 -11.728 -17.292 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.728 -13.037 -17.801 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.329 -11.726 -18.797 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.348 -10.239 -16.788 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.808 -11.587 -15.806 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.701 -14.122 -16.916 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.926 -13.938 -15.324 1.00 41.21 H new ATOM 0 HE3 MET A 75 67.937 -13.919 -16.803 1.00 41.21 H new ATOM 1104 N VAL A 76 64.336 -9.323 -17.678 1.00 52.24 N ATOM 1105 CA VAL A 76 64.252 -7.876 -17.695 1.00 50.44 C ATOM 1106 C VAL A 76 64.828 -7.320 -16.398 1.00 33.40 C ATOM 1107 O VAL A 76 64.396 -7.695 -15.304 1.00 12.34 O ATOM 1108 CB VAL A 76 62.793 -7.394 -17.863 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.738 -5.882 -18.005 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.132 -8.068 -19.059 1.00 70.33 C ATOM 0 H VAL A 76 63.625 -9.779 -17.107 1.00 52.24 H new ATOM 0 HA VAL A 76 64.826 -7.512 -18.547 1.00 50.44 H new ATOM 0 HB VAL A 76 62.241 -7.675 -16.966 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.702 -5.565 -18.122 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.161 -5.417 -17.114 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.312 -5.578 -18.880 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.106 -7.712 -19.156 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.687 -7.826 -19.965 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.129 -9.148 -18.912 1.00 70.33 H new