USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 58 THR OG1 : rot 180:sc= -0.156 USER MOD Set 1.2: A 61 GLN : amide:sc= -1.12 K(o=-1.3,f=-4.7!) USER MOD Single : A 31 MET CE :methyl -163:sc= -0.067 (180deg=-0.444) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc=-0.00548 (180deg=-0.086) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.09 K(o=1.1,f=-0.081) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0856) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.439 -7.211 1.428 1.00 72.13 N ATOM 350 CA ASP A 24 -7.074 -6.748 1.139 1.00 72.23 C ATOM 351 C ASP A 24 -6.022 -7.493 1.982 1.00 54.42 C ATOM 352 O ASP A 24 -4.987 -7.920 1.461 1.00 13.22 O ATOM 353 CB ASP A 24 -6.980 -5.235 1.377 1.00 12.24 C ATOM 354 CG ASP A 24 -7.667 -4.821 2.666 1.00 30.43 C ATOM 355 OD1 ASP A 24 -7.010 -4.803 3.725 1.00 11.21 O ATOM 356 OD2 ASP A 24 -8.884 -4.540 2.623 1.00 11.33 O ATOM 0 HA ASP A 24 -6.860 -6.966 0.093 1.00 72.23 H new ATOM 0 HB2 ASP A 24 -5.932 -4.937 1.412 1.00 12.24 H new ATOM 0 HB3 ASP A 24 -7.433 -4.707 0.538 1.00 12.24 H new ATOM 361 N GLU A 25 -6.299 -7.657 3.276 1.00 75.20 N ATOM 362 CA GLU A 25 -5.374 -8.337 4.193 1.00 74.42 C ATOM 363 C GLU A 25 -4.937 -9.708 3.664 1.00 64.31 C ATOM 364 O GLU A 25 -3.761 -10.053 3.729 1.00 11.22 O ATOM 365 CB GLU A 25 -6.004 -8.506 5.580 1.00 2.43 C ATOM 366 CG GLU A 25 -6.299 -7.191 6.290 1.00 64.23 C ATOM 367 CD GLU A 25 -6.760 -7.396 7.721 1.00 44.44 C ATOM 368 OE1 GLU A 25 -7.981 -7.534 7.946 1.00 75.41 O ATOM 369 OE2 GLU A 25 -5.905 -7.430 8.626 1.00 12.23 O ATOM 0 H GLU A 25 -7.158 -7.328 3.717 1.00 75.20 H new ATOM 0 HA GLU A 25 -4.490 -7.703 4.268 1.00 74.42 H new ATOM 0 HB2 GLU A 25 -6.932 -9.069 5.480 1.00 2.43 H new ATOM 0 HB3 GLU A 25 -5.335 -9.101 6.202 1.00 2.43 H new ATOM 0 HG2 GLU A 25 -5.403 -6.570 6.285 1.00 64.23 H new ATOM 0 HG3 GLU A 25 -7.066 -6.648 5.738 1.00 64.23 H new ATOM 376 N ARG A 26 -5.887 -10.479 3.131 1.00 63.32 N ATOM 377 CA ARG A 26 -5.592 -11.822 2.608 1.00 62.02 C ATOM 378 C ARG A 26 -4.439 -11.799 1.588 1.00 30.13 C ATOM 379 O ARG A 26 -3.712 -12.779 1.442 1.00 3.15 O ATOM 380 CB ARG A 26 -6.850 -12.443 1.977 1.00 44.22 C ATOM 381 CG ARG A 26 -8.007 -12.615 2.959 1.00 74.52 C ATOM 382 CD ARG A 26 -9.156 -13.424 2.360 1.00 62.24 C ATOM 383 NE ARG A 26 -8.759 -14.793 2.026 1.00 44.44 N ATOM 384 CZ ARG A 26 -9.548 -15.834 2.106 1.00 60.50 C ATOM 385 NH1 ARG A 26 -10.781 -15.705 2.486 1.00 42.34 N ATOM 386 NH2 ARG A 26 -9.095 -17.009 1.812 1.00 60.34 N ATOM 0 H ARG A 26 -6.865 -10.201 3.049 1.00 63.32 H new ATOM 0 HA ARG A 26 -5.276 -12.437 3.450 1.00 62.02 H new ATOM 0 HB2 ARG A 26 -7.178 -11.815 1.149 1.00 44.22 H new ATOM 0 HB3 ARG A 26 -6.593 -13.416 1.557 1.00 44.22 H new ATOM 0 HG2 ARG A 26 -7.646 -13.111 3.860 1.00 74.52 H new ATOM 0 HG3 ARG A 26 -8.374 -11.634 3.261 1.00 74.52 H new ATOM 0 HD2 ARG A 26 -9.985 -13.451 3.067 1.00 62.24 H new ATOM 0 HD3 ARG A 26 -9.519 -12.924 1.462 1.00 62.24 H new ATOM 0 HE ARG A 26 -7.802 -14.946 1.709 1.00 44.44 H new ATOM 0 HH11 ARG A 26 -11.147 -14.784 2.727 1.00 42.34 H new ATOM 0 HH12 ARG A 26 -11.385 -16.525 2.544 1.00 42.34 H new ATOM 0 HH21 ARG A 26 -8.125 -17.123 1.519 1.00 60.34 H new ATOM 0 HH22 ARG A 26 -9.708 -17.822 1.874 1.00 60.34 H new ATOM 400 N ARG A 27 -4.275 -10.677 0.889 1.00 73.54 N ATOM 401 CA ARG A 27 -3.144 -10.495 -0.031 1.00 42.24 C ATOM 402 C ARG A 27 -1.905 -9.979 0.720 1.00 23.11 C ATOM 403 O ARG A 27 -0.782 -10.441 0.493 1.00 55.24 O ATOM 404 CB ARG A 27 -3.508 -9.522 -1.165 1.00 42.02 C ATOM 405 CG ARG A 27 -4.447 -10.105 -2.221 1.00 20.31 C ATOM 406 CD ARG A 27 -5.853 -10.360 -1.683 1.00 1.24 C ATOM 407 NE ARG A 27 -6.704 -10.998 -2.680 1.00 22.15 N ATOM 408 CZ ARG A 27 -7.975 -11.230 -2.521 1.00 2.11 C ATOM 409 NH1 ARG A 27 -8.590 -10.851 -1.445 1.00 42.52 N ATOM 410 NH2 ARG A 27 -8.631 -11.832 -3.459 1.00 71.05 N ATOM 0 H ARG A 27 -4.908 -9.879 0.939 1.00 73.54 H new ATOM 0 HA ARG A 27 -2.913 -11.468 -0.465 1.00 42.24 H new ATOM 0 HB2 ARG A 27 -3.973 -8.636 -0.732 1.00 42.02 H new ATOM 0 HB3 ARG A 27 -2.591 -9.193 -1.654 1.00 42.02 H new ATOM 0 HG2 ARG A 27 -4.505 -9.421 -3.067 1.00 20.31 H new ATOM 0 HG3 ARG A 27 -4.030 -11.040 -2.595 1.00 20.31 H new ATOM 0 HD2 ARG A 27 -5.795 -10.992 -0.797 1.00 1.24 H new ATOM 0 HD3 ARG A 27 -6.301 -9.416 -1.373 1.00 1.24 H new ATOM 0 HE ARG A 27 -6.275 -11.281 -3.561 1.00 22.15 H new ATOM 0 HH11 ARG A 27 -8.078 -10.364 -0.709 1.00 42.52 H new ATOM 0 HH12 ARG A 27 -9.586 -11.039 -1.334 1.00 42.52 H new ATOM 0 HH21 ARG A 27 -8.152 -12.120 -4.312 1.00 71.05 H new ATOM 0 HH22 ARG A 27 -9.627 -12.019 -3.345 1.00 71.05 H new ATOM 424 N ALA A 28 -2.124 -9.021 1.622 1.00 5.41 N ATOM 425 CA ALA A 28 -1.039 -8.422 2.407 1.00 23.20 C ATOM 426 C ALA A 28 -0.256 -9.480 3.204 1.00 51.42 C ATOM 427 O ALA A 28 0.966 -9.571 3.099 1.00 41.33 O ATOM 428 CB ALA A 28 -1.597 -7.353 3.342 1.00 61.11 C ATOM 0 H ALA A 28 -3.047 -8.640 1.829 1.00 5.41 H new ATOM 0 HA ALA A 28 -0.341 -7.959 1.710 1.00 23.20 H new ATOM 0 HB1 ALA A 28 -0.784 -6.915 3.920 1.00 61.11 H new ATOM 0 HB2 ALA A 28 -2.085 -6.575 2.755 1.00 61.11 H new ATOM 0 HB3 ALA A 28 -2.321 -7.805 4.020 1.00 61.11 H new ATOM 434 N LEU A 29 -0.965 -10.285 3.994 1.00 2.42 N ATOM 435 CA LEU A 29 -0.331 -11.339 4.796 1.00 55.23 C ATOM 436 C LEU A 29 0.238 -12.467 3.916 1.00 74.30 C ATOM 437 O LEU A 29 1.238 -13.095 4.269 1.00 72.33 O ATOM 438 CB LEU A 29 -1.323 -11.885 5.844 1.00 4.14 C ATOM 439 CG LEU A 29 -2.689 -12.373 5.308 1.00 73.44 C ATOM 440 CD1 LEU A 29 -2.616 -13.809 4.788 1.00 4.22 C ATOM 441 CD2 LEU A 29 -3.770 -12.236 6.381 1.00 61.44 C ATOM 0 H LEU A 29 -1.978 -10.230 4.098 1.00 2.42 H new ATOM 0 HA LEU A 29 0.515 -10.897 5.322 1.00 55.23 H new ATOM 0 HB2 LEU A 29 -0.846 -12.713 6.367 1.00 4.14 H new ATOM 0 HB3 LEU A 29 -1.505 -11.104 6.582 1.00 4.14 H new ATOM 0 HG LEU A 29 -2.956 -11.737 4.464 1.00 73.44 H new ATOM 0 HD11 LEU A 29 -3.596 -14.113 4.421 1.00 4.22 H new ATOM 0 HD12 LEU A 29 -1.891 -13.866 3.976 1.00 4.22 H new ATOM 0 HD13 LEU A 29 -2.309 -14.473 5.596 1.00 4.22 H new ATOM 0 HD21 LEU A 29 -4.723 -12.585 5.984 1.00 61.44 H new ATOM 0 HD22 LEU A 29 -3.498 -12.835 7.250 1.00 61.44 H new ATOM 0 HD23 LEU A 29 -3.860 -11.190 6.675 1.00 61.44 H new ATOM 453 N ALA A 30 -0.389 -12.707 2.760 1.00 1.14 N ATOM 454 CA ALA A 30 0.094 -13.715 1.807 1.00 23.42 C ATOM 455 C ALA A 30 1.487 -13.350 1.267 1.00 33.22 C ATOM 456 O ALA A 30 2.305 -14.225 0.970 1.00 32.13 O ATOM 457 CB ALA A 30 -0.899 -13.871 0.658 1.00 0.24 C ATOM 0 H ALA A 30 -1.232 -12.218 2.460 1.00 1.14 H new ATOM 0 HA ALA A 30 0.179 -14.666 2.334 1.00 23.42 H new ATOM 0 HB1 ALA A 30 -0.530 -14.621 -0.042 1.00 0.24 H new ATOM 0 HB2 ALA A 30 -1.865 -14.186 1.052 1.00 0.24 H new ATOM 0 HB3 ALA A 30 -1.012 -12.917 0.142 1.00 0.24 H new ATOM 463 N MET A 31 1.744 -12.048 1.136 1.00 44.42 N ATOM 464 CA MET A 31 3.055 -11.549 0.696 1.00 71.43 C ATOM 465 C MET A 31 3.915 -11.101 1.893 1.00 64.12 C ATOM 466 O MET A 31 5.126 -10.921 1.761 1.00 64.20 O ATOM 467 CB MET A 31 2.873 -10.385 -0.292 1.00 60.04 C ATOM 468 CG MET A 31 2.081 -10.763 -1.537 1.00 65.23 C ATOM 469 SD MET A 31 2.871 -12.069 -2.503 1.00 64.11 S ATOM 470 CE MET A 31 4.392 -11.263 -3.006 1.00 63.23 C ATOM 0 H MET A 31 1.061 -11.315 1.328 1.00 44.42 H new ATOM 0 HA MET A 31 3.576 -12.366 0.196 1.00 71.43 H new ATOM 0 HB2 MET A 31 2.367 -9.564 0.216 1.00 60.04 H new ATOM 0 HB3 MET A 31 3.854 -10.017 -0.593 1.00 60.04 H new ATOM 0 HG2 MET A 31 1.084 -11.089 -1.242 1.00 65.23 H new ATOM 0 HG3 MET A 31 1.955 -9.880 -2.164 1.00 65.23 H new ATOM 0 HE1 MET A 31 4.836 -11.811 -3.837 1.00 63.23 H new ATOM 0 HE2 MET A 31 4.176 -10.241 -3.319 1.00 63.23 H new ATOM 0 HE3 MET A 31 5.089 -11.246 -2.168 1.00 63.23 H new ATOM 480 N LYS A 32 3.272 -10.941 3.056 1.00 64.40 N ATOM 481 CA LYS A 32 3.932 -10.496 4.298 1.00 62.31 C ATOM 482 C LYS A 32 4.322 -9.010 4.245 1.00 12.31 C ATOM 483 O LYS A 32 5.424 -8.648 3.823 1.00 61.33 O ATOM 484 CB LYS A 32 5.156 -11.364 4.631 1.00 74.13 C ATOM 485 CG LYS A 32 4.826 -12.844 4.815 1.00 5.21 C ATOM 486 CD LYS A 32 6.038 -13.647 5.281 1.00 72.45 C ATOM 487 CE LYS A 32 6.529 -13.181 6.645 1.00 12.42 C ATOM 488 NZ LYS A 32 7.634 -14.032 7.154 1.00 32.12 N ATOM 0 H LYS A 32 2.273 -11.117 3.167 1.00 64.40 H new ATOM 0 HA LYS A 32 3.201 -10.618 5.098 1.00 62.31 H new ATOM 0 HB2 LYS A 32 5.891 -11.261 3.833 1.00 74.13 H new ATOM 0 HB3 LYS A 32 5.620 -10.988 5.543 1.00 74.13 H new ATOM 0 HG2 LYS A 32 4.021 -12.948 5.542 1.00 5.21 H new ATOM 0 HG3 LYS A 32 4.460 -13.254 3.873 1.00 5.21 H new ATOM 0 HD2 LYS A 32 5.778 -14.704 5.329 1.00 72.45 H new ATOM 0 HD3 LYS A 32 6.842 -13.549 4.552 1.00 72.45 H new ATOM 0 HE2 LYS A 32 6.869 -12.148 6.575 1.00 12.42 H new ATOM 0 HE3 LYS A 32 5.701 -13.197 7.354 1.00 12.42 H new ATOM 0 HZ1 LYS A 32 7.941 -13.683 8.084 1.00 32.12 H new ATOM 0 HZ2 LYS A 32 7.303 -15.014 7.245 1.00 32.12 H new ATOM 0 HZ3 LYS A 32 8.434 -13.996 6.490 1.00 32.12 H new ATOM 502 N ILE A 33 3.397 -8.155 4.674 1.00 61.43 N ATOM 503 CA ILE A 33 3.613 -6.704 4.708 1.00 41.01 C ATOM 504 C ILE A 33 3.810 -6.209 6.158 1.00 62.21 C ATOM 505 O ILE A 33 2.918 -6.344 6.993 1.00 72.32 O ATOM 506 CB ILE A 33 2.417 -5.956 4.058 1.00 30.25 C ATOM 507 CG1 ILE A 33 2.219 -6.415 2.599 1.00 3.24 C ATOM 508 CG2 ILE A 33 2.616 -4.443 4.125 1.00 40.33 C ATOM 509 CD1 ILE A 33 3.407 -6.146 1.694 1.00 53.03 C ATOM 0 H ILE A 33 2.477 -8.444 5.008 1.00 61.43 H new ATOM 0 HA ILE A 33 4.518 -6.490 4.139 1.00 41.01 H new ATOM 0 HB ILE A 33 1.517 -6.202 4.622 1.00 30.25 H new ATOM 0 HG12 ILE A 33 2.007 -7.484 2.592 1.00 3.24 H new ATOM 0 HG13 ILE A 33 1.343 -5.913 2.188 1.00 3.24 H new ATOM 0 HG21 ILE A 33 1.765 -3.943 3.663 1.00 40.33 H new ATOM 0 HG22 ILE A 33 2.698 -4.133 5.167 1.00 40.33 H new ATOM 0 HG23 ILE A 33 3.528 -4.172 3.593 1.00 40.33 H new ATOM 0 HD11 ILE A 33 3.185 -6.499 0.687 1.00 53.03 H new ATOM 0 HD12 ILE A 33 3.609 -5.075 1.667 1.00 53.03 H new ATOM 0 HD13 ILE A 33 4.282 -6.670 2.077 1.00 53.03 H new ATOM 521 N PRO A 34 4.986 -5.625 6.478 1.00 24.32 N ATOM 522 CA PRO A 34 5.324 -5.202 7.855 1.00 34.43 C ATOM 523 C PRO A 34 4.678 -3.871 8.297 1.00 21.55 C ATOM 524 O PRO A 34 5.124 -3.251 9.267 1.00 13.24 O ATOM 525 CB PRO A 34 6.850 -5.063 7.790 1.00 42.45 C ATOM 526 CG PRO A 34 7.122 -4.648 6.384 1.00 72.40 C ATOM 527 CD PRO A 34 6.089 -5.344 5.532 1.00 24.03 C ATOM 0 HA PRO A 34 4.951 -5.916 8.590 1.00 34.43 H new ATOM 0 HB2 PRO A 34 7.213 -4.321 8.501 1.00 42.45 H new ATOM 0 HB3 PRO A 34 7.346 -6.004 8.030 1.00 42.45 H new ATOM 0 HG2 PRO A 34 7.050 -3.566 6.277 1.00 72.40 H new ATOM 0 HG3 PRO A 34 8.130 -4.932 6.083 1.00 72.40 H new ATOM 0 HD2 PRO A 34 5.758 -4.712 4.708 1.00 24.03 H new ATOM 0 HD3 PRO A 34 6.483 -6.260 5.093 1.00 24.03 H new ATOM 535 N PHE A 35 3.625 -3.439 7.609 1.00 71.44 N ATOM 536 CA PHE A 35 2.927 -2.193 7.959 1.00 34.31 C ATOM 537 C PHE A 35 1.428 -2.263 7.610 1.00 73.42 C ATOM 538 O PHE A 35 1.039 -2.905 6.634 1.00 62.41 O ATOM 539 CB PHE A 35 3.595 -0.983 7.276 1.00 54.43 C ATOM 540 CG PHE A 35 3.847 -1.146 5.794 1.00 2.14 C ATOM 541 CD1 PHE A 35 2.878 -0.800 4.860 1.00 63.24 C ATOM 542 CD2 PHE A 35 5.064 -1.637 5.336 1.00 51.51 C ATOM 543 CE1 PHE A 35 3.120 -0.944 3.506 1.00 30.32 C ATOM 544 CE2 PHE A 35 5.308 -1.780 3.984 1.00 1.50 C ATOM 545 CZ PHE A 35 4.334 -1.434 3.069 1.00 74.53 C ATOM 0 H PHE A 35 3.232 -3.929 6.805 1.00 71.44 H new ATOM 0 HA PHE A 35 3.004 -2.065 9.039 1.00 34.31 H new ATOM 0 HB2 PHE A 35 2.966 -0.106 7.428 1.00 54.43 H new ATOM 0 HB3 PHE A 35 4.545 -0.784 7.771 1.00 54.43 H new ATOM 0 HD1 PHE A 35 1.926 -0.415 5.195 1.00 63.24 H new ATOM 0 HD2 PHE A 35 5.829 -1.910 6.047 1.00 51.51 H new ATOM 0 HE1 PHE A 35 2.358 -0.673 2.790 1.00 30.32 H new ATOM 0 HE2 PHE A 35 6.259 -2.162 3.643 1.00 1.50 H new ATOM 0 HZ PHE A 35 4.522 -1.547 2.011 1.00 74.53 H new ATOM 555 N PRO A 36 0.567 -1.601 8.418 1.00 61.53 N ATOM 556 CA PRO A 36 -0.900 -1.638 8.232 1.00 21.52 C ATOM 557 C PRO A 36 -1.369 -1.053 6.888 1.00 40.33 C ATOM 558 O PRO A 36 -0.745 -0.148 6.329 1.00 5.50 O ATOM 559 CB PRO A 36 -1.435 -0.797 9.404 1.00 1.33 C ATOM 560 CG PRO A 36 -0.285 0.059 9.816 1.00 50.02 C ATOM 561 CD PRO A 36 0.944 -0.774 9.582 1.00 10.11 C ATOM 0 HA PRO A 36 -1.266 -2.665 8.217 1.00 21.52 H new ATOM 0 HB2 PRO A 36 -2.289 -0.192 9.099 1.00 1.33 H new ATOM 0 HB3 PRO A 36 -1.770 -1.431 10.225 1.00 1.33 H new ATOM 0 HG2 PRO A 36 -0.252 0.979 9.232 1.00 50.02 H new ATOM 0 HG3 PRO A 36 -0.368 0.349 10.863 1.00 50.02 H new ATOM 0 HD2 PRO A 36 1.817 -0.156 9.372 1.00 10.11 H new ATOM 0 HD3 PRO A 36 1.188 -1.386 10.450 1.00 10.11 H new ATOM 569 N THR A 37 -2.498 -1.568 6.397 1.00 72.33 N ATOM 570 CA THR A 37 -3.056 -1.175 5.092 1.00 63.45 C ATOM 571 C THR A 37 -3.450 0.311 5.037 1.00 72.12 C ATOM 572 O THR A 37 -3.303 0.961 4.001 1.00 33.24 O ATOM 573 CB THR A 37 -4.297 -2.029 4.741 1.00 25.35 C ATOM 574 OG1 THR A 37 -5.305 -1.866 5.750 1.00 14.41 O ATOM 575 CG2 THR A 37 -3.932 -3.508 4.621 1.00 22.25 C ATOM 0 H THR A 37 -3.054 -2.268 6.888 1.00 72.33 H new ATOM 0 HA THR A 37 -2.263 -1.347 4.364 1.00 63.45 H new ATOM 0 HB THR A 37 -4.680 -1.688 3.779 1.00 25.35 H new ATOM 0 HG1 THR A 37 -6.088 -2.408 5.520 1.00 14.41 H new ATOM 0 HG21 THR A 37 -4.824 -4.084 4.374 1.00 22.25 H new ATOM 0 HG22 THR A 37 -3.188 -3.636 3.835 1.00 22.25 H new ATOM 0 HG23 THR A 37 -3.524 -3.860 5.568 1.00 22.25 H new ATOM 583 N ASP A 38 -3.954 0.848 6.150 1.00 21.22 N ATOM 584 CA ASP A 38 -4.345 2.264 6.217 1.00 74.23 C ATOM 585 C ASP A 38 -3.148 3.194 5.937 1.00 51.31 C ATOM 586 O ASP A 38 -3.263 4.170 5.186 1.00 14.14 O ATOM 587 CB ASP A 38 -4.968 2.582 7.585 1.00 41.22 C ATOM 588 CG ASP A 38 -4.069 2.192 8.749 1.00 24.41 C ATOM 589 OD1 ASP A 38 -3.194 2.998 9.130 1.00 32.21 O ATOM 590 OD2 ASP A 38 -4.230 1.076 9.284 1.00 52.13 O ATOM 0 H ASP A 38 -4.102 0.329 7.016 1.00 21.22 H new ATOM 0 HA ASP A 38 -5.090 2.442 5.441 1.00 74.23 H new ATOM 0 HB2 ASP A 38 -5.184 3.649 7.641 1.00 41.22 H new ATOM 0 HB3 ASP A 38 -5.920 2.058 7.676 1.00 41.22 H new ATOM 595 N LYS A 39 -2.001 2.870 6.533 1.00 54.34 N ATOM 596 CA LYS A 39 -0.764 3.640 6.344 1.00 32.05 C ATOM 597 C LYS A 39 -0.454 3.834 4.848 1.00 5.35 C ATOM 598 O LYS A 39 -0.087 4.926 4.406 1.00 65.11 O ATOM 599 CB LYS A 39 0.399 2.911 7.038 1.00 14.42 C ATOM 600 CG LYS A 39 1.728 3.658 6.981 1.00 4.02 C ATOM 601 CD LYS A 39 2.874 2.835 7.567 1.00 61.02 C ATOM 602 CE LYS A 39 2.672 2.531 9.050 1.00 35.54 C ATOM 603 NZ LYS A 39 2.661 3.762 9.884 1.00 73.10 N ATOM 0 H LYS A 39 -1.899 2.071 7.158 1.00 54.34 H new ATOM 0 HA LYS A 39 -0.895 4.627 6.787 1.00 32.05 H new ATOM 0 HB2 LYS A 39 0.135 2.741 8.082 1.00 14.42 H new ATOM 0 HB3 LYS A 39 0.526 1.931 6.577 1.00 14.42 H new ATOM 0 HG2 LYS A 39 1.957 3.912 5.946 1.00 4.02 H new ATOM 0 HG3 LYS A 39 1.640 4.597 7.528 1.00 4.02 H new ATOM 0 HD2 LYS A 39 2.965 1.899 7.016 1.00 61.02 H new ATOM 0 HD3 LYS A 39 3.811 3.375 7.434 1.00 61.02 H new ATOM 0 HE2 LYS A 39 1.732 1.996 9.184 1.00 35.54 H new ATOM 0 HE3 LYS A 39 3.467 1.869 9.394 1.00 35.54 H new ATOM 0 HZ1 LYS A 39 2.658 3.500 10.890 1.00 73.10 H new ATOM 0 HZ2 LYS A 39 3.508 4.329 9.677 1.00 73.10 H new ATOM 0 HZ3 LYS A 39 1.810 4.319 9.669 1.00 73.10 H new ATOM 617 N ILE A 40 -0.649 2.765 4.076 1.00 21.13 N ATOM 618 CA ILE A 40 -0.374 2.751 2.631 1.00 51.52 C ATOM 619 C ILE A 40 -1.043 3.924 1.888 1.00 13.34 C ATOM 620 O ILE A 40 -0.432 4.557 1.022 1.00 60.15 O ATOM 621 CB ILE A 40 -0.859 1.419 2.003 1.00 2.22 C ATOM 622 CG1 ILE A 40 -0.117 0.232 2.637 1.00 50.43 C ATOM 623 CG2 ILE A 40 -0.687 1.423 0.483 1.00 75.00 C ATOM 624 CD1 ILE A 40 -0.541 -1.118 2.099 1.00 24.31 C ATOM 0 H ILE A 40 -1.004 1.878 4.433 1.00 21.13 H new ATOM 0 HA ILE A 40 0.706 2.853 2.521 1.00 51.52 H new ATOM 0 HB ILE A 40 -1.924 1.314 2.209 1.00 2.22 H new ATOM 0 HG12 ILE A 40 0.953 0.357 2.474 1.00 50.43 H new ATOM 0 HG13 ILE A 40 -0.279 0.249 3.715 1.00 50.43 H new ATOM 0 HG21 ILE A 40 -1.037 0.475 0.075 1.00 75.00 H new ATOM 0 HG22 ILE A 40 -1.268 2.239 0.053 1.00 75.00 H new ATOM 0 HG23 ILE A 40 0.366 1.558 0.236 1.00 75.00 H new ATOM 0 HD11 ILE A 40 0.028 -1.903 2.596 1.00 24.31 H new ATOM 0 HD12 ILE A 40 -1.604 -1.267 2.286 1.00 24.31 H new ATOM 0 HD13 ILE A 40 -0.353 -1.158 1.026 1.00 24.31 H new ATOM 636 N VAL A 41 -2.298 4.211 2.226 1.00 10.15 N ATOM 637 CA VAL A 41 -3.068 5.250 1.528 1.00 24.42 C ATOM 638 C VAL A 41 -2.872 6.646 2.156 1.00 33.02 C ATOM 639 O VAL A 41 -2.820 7.652 1.447 1.00 73.43 O ATOM 640 CB VAL A 41 -4.583 4.905 1.519 1.00 12.20 C ATOM 641 CG1 VAL A 41 -5.381 5.927 0.704 1.00 33.31 C ATOM 642 CG2 VAL A 41 -4.812 3.486 0.992 1.00 23.11 C ATOM 0 H VAL A 41 -2.806 3.743 2.976 1.00 10.15 H new ATOM 0 HA VAL A 41 -2.690 5.279 0.506 1.00 24.42 H new ATOM 0 HB VAL A 41 -4.942 4.949 2.547 1.00 12.20 H new ATOM 0 HG11 VAL A 41 -6.437 5.658 0.717 1.00 33.31 H new ATOM 0 HG12 VAL A 41 -5.254 6.918 1.139 1.00 33.31 H new ATOM 0 HG13 VAL A 41 -5.021 5.933 -0.325 1.00 33.31 H new ATOM 0 HG21 VAL A 41 -5.879 3.265 0.994 1.00 23.11 H new ATOM 0 HG22 VAL A 41 -4.428 3.409 -0.025 1.00 23.11 H new ATOM 0 HG23 VAL A 41 -4.292 2.772 1.631 1.00 23.11 H new ATOM 652 N ASN A 42 -2.740 6.698 3.480 1.00 30.03 N ATOM 653 CA ASN A 42 -2.696 7.982 4.201 1.00 5.43 C ATOM 654 C ASN A 42 -1.320 8.675 4.146 1.00 11.20 C ATOM 655 O ASN A 42 -1.236 9.894 4.323 1.00 62.22 O ATOM 656 CB ASN A 42 -3.136 7.785 5.657 1.00 75.20 C ATOM 657 CG ASN A 42 -4.627 7.524 5.763 1.00 72.23 C ATOM 658 OD1 ASN A 42 -5.422 8.448 5.882 1.00 40.04 O ATOM 659 ND2 ASN A 42 -5.023 6.270 5.719 1.00 1.21 N ATOM 0 H ASN A 42 -2.662 5.875 4.078 1.00 30.03 H new ATOM 0 HA ASN A 42 -3.391 8.647 3.689 1.00 5.43 H new ATOM 0 HB2 ASN A 42 -2.589 6.949 6.093 1.00 75.20 H new ATOM 0 HB3 ASN A 42 -2.880 8.671 6.238 1.00 75.20 H new ATOM 0 HD21 ASN A 42 -6.016 6.046 5.785 1.00 1.21 H new ATOM 0 HD22 ASN A 42 -4.337 5.522 5.619 1.00 1.21 H new ATOM 666 N LEU A 43 -0.245 7.918 3.916 1.00 34.04 N ATOM 667 CA LEU A 43 1.099 8.517 3.796 1.00 23.12 C ATOM 668 C LEU A 43 1.218 9.407 2.546 1.00 41.23 C ATOM 669 O LEU A 43 0.671 9.085 1.492 1.00 61.24 O ATOM 670 CB LEU A 43 2.192 7.433 3.747 1.00 12.24 C ATOM 671 CG LEU A 43 2.476 6.707 5.070 1.00 4.45 C ATOM 672 CD1 LEU A 43 3.646 5.741 4.903 1.00 64.24 C ATOM 673 CD2 LEU A 43 2.752 7.704 6.195 1.00 4.11 C ATOM 0 H LEU A 43 -0.270 6.904 3.809 1.00 34.04 H new ATOM 0 HA LEU A 43 1.242 9.135 4.683 1.00 23.12 H new ATOM 0 HB2 LEU A 43 1.907 6.691 3.001 1.00 12.24 H new ATOM 0 HB3 LEU A 43 3.118 7.893 3.401 1.00 12.24 H new ATOM 0 HG LEU A 43 1.590 6.134 5.343 1.00 4.45 H new ATOM 0 HD11 LEU A 43 3.836 5.233 5.849 1.00 64.24 H new ATOM 0 HD12 LEU A 43 3.403 5.004 4.138 1.00 64.24 H new ATOM 0 HD13 LEU A 43 4.535 6.295 4.603 1.00 64.24 H new ATOM 0 HD21 LEU A 43 2.950 7.163 7.120 1.00 4.11 H new ATOM 0 HD22 LEU A 43 3.619 8.312 5.938 1.00 4.11 H new ATOM 0 HD23 LEU A 43 1.884 8.349 6.331 1.00 4.11 H new ATOM 685 N PRO A 44 1.945 10.540 2.644 1.00 25.52 N ATOM 686 CA PRO A 44 2.221 11.402 1.480 1.00 1.32 C ATOM 687 C PRO A 44 3.030 10.666 0.394 1.00 2.43 C ATOM 688 O PRO A 44 3.704 9.674 0.678 1.00 32.35 O ATOM 689 CB PRO A 44 3.031 12.566 2.072 1.00 13.12 C ATOM 690 CG PRO A 44 3.562 12.051 3.369 1.00 3.34 C ATOM 691 CD PRO A 44 2.539 11.076 3.880 1.00 21.11 C ATOM 0 HA PRO A 44 1.306 11.724 0.983 1.00 1.32 H new ATOM 0 HB2 PRO A 44 3.840 12.863 1.405 1.00 13.12 H new ATOM 0 HB3 PRO A 44 2.405 13.445 2.224 1.00 13.12 H new ATOM 0 HG2 PRO A 44 4.528 11.565 3.229 1.00 3.34 H new ATOM 0 HG3 PRO A 44 3.714 12.864 4.079 1.00 3.34 H new ATOM 0 HD2 PRO A 44 2.996 10.290 4.482 1.00 21.11 H new ATOM 0 HD3 PRO A 44 1.793 11.565 4.507 1.00 21.11 H new ATOM 699 N VAL A 45 2.976 11.161 -0.844 1.00 31.42 N ATOM 700 CA VAL A 45 3.575 10.450 -1.985 1.00 62.43 C ATOM 701 C VAL A 45 5.080 10.149 -1.791 1.00 32.33 C ATOM 702 O VAL A 45 5.526 9.031 -2.061 1.00 11.31 O ATOM 703 CB VAL A 45 3.348 11.209 -3.319 1.00 34.01 C ATOM 704 CG1 VAL A 45 3.910 12.627 -3.257 1.00 52.14 C ATOM 705 CG2 VAL A 45 3.943 10.433 -4.494 1.00 22.43 C ATOM 0 H VAL A 45 2.528 12.045 -1.086 1.00 31.42 H new ATOM 0 HA VAL A 45 3.058 9.492 -2.035 1.00 62.43 H new ATOM 0 HB VAL A 45 2.272 11.290 -3.476 1.00 34.01 H new ATOM 0 HG11 VAL A 45 3.734 13.130 -4.208 1.00 52.14 H new ATOM 0 HG12 VAL A 45 3.417 13.179 -2.457 1.00 52.14 H new ATOM 0 HG13 VAL A 45 4.982 12.585 -3.062 1.00 52.14 H new ATOM 0 HG21 VAL A 45 3.772 10.985 -5.418 1.00 22.43 H new ATOM 0 HG22 VAL A 45 5.015 10.306 -4.341 1.00 22.43 H new ATOM 0 HG23 VAL A 45 3.468 9.454 -4.562 1.00 22.43 H new ATOM 715 N ASP A 46 5.855 11.128 -1.318 1.00 15.15 N ATOM 716 CA ASP A 46 7.287 10.918 -1.053 1.00 61.23 C ATOM 717 C ASP A 46 7.508 9.792 -0.029 1.00 32.31 C ATOM 718 O ASP A 46 8.208 8.814 -0.303 1.00 43.05 O ATOM 719 CB ASP A 46 7.943 12.212 -0.557 1.00 33.32 C ATOM 720 CG ASP A 46 8.133 13.232 -1.666 1.00 12.34 C ATOM 721 OD1 ASP A 46 7.160 13.939 -2.011 1.00 52.04 O ATOM 722 OD2 ASP A 46 9.258 13.331 -2.205 1.00 14.45 O ATOM 0 H ASP A 46 5.521 12.069 -1.111 1.00 15.15 H new ATOM 0 HA ASP A 46 7.753 10.622 -1.993 1.00 61.23 H new ATOM 0 HB2 ASP A 46 7.329 12.648 0.231 1.00 33.32 H new ATOM 0 HB3 ASP A 46 8.911 11.978 -0.114 1.00 33.32 H new ATOM 727 N ASP A 47 6.887 9.924 1.143 1.00 24.23 N ATOM 728 CA ASP A 47 7.001 8.911 2.198 1.00 43.44 C ATOM 729 C ASP A 47 6.419 7.556 1.757 1.00 41.33 C ATOM 730 O ASP A 47 6.817 6.516 2.272 1.00 24.22 O ATOM 731 CB ASP A 47 6.316 9.398 3.480 1.00 53.14 C ATOM 732 CG ASP A 47 7.061 10.555 4.120 1.00 41.10 C ATOM 733 OD1 ASP A 47 6.791 11.721 3.762 1.00 75.45 O ATOM 734 OD2 ASP A 47 7.935 10.305 4.976 1.00 12.14 O ATOM 0 H ASP A 47 6.300 10.721 1.388 1.00 24.23 H new ATOM 0 HA ASP A 47 8.062 8.761 2.397 1.00 43.44 H new ATOM 0 HB2 ASP A 47 5.296 9.706 3.251 1.00 53.14 H new ATOM 0 HB3 ASP A 47 6.248 8.574 4.190 1.00 53.14 H new ATOM 739 N PHE A 48 5.486 7.575 0.804 1.00 33.11 N ATOM 740 CA PHE A 48 4.940 6.338 0.227 1.00 42.14 C ATOM 741 C PHE A 48 6.009 5.601 -0.596 1.00 71.11 C ATOM 742 O PHE A 48 6.243 4.407 -0.408 1.00 33.41 O ATOM 743 CB PHE A 48 3.716 6.642 -0.647 1.00 11.55 C ATOM 744 CG PHE A 48 3.163 5.427 -1.349 1.00 51.13 C ATOM 745 CD1 PHE A 48 2.511 4.432 -0.633 1.00 13.14 C ATOM 746 CD2 PHE A 48 3.302 5.275 -2.721 1.00 23.34 C ATOM 747 CE1 PHE A 48 2.008 3.315 -1.272 1.00 22.41 C ATOM 748 CE2 PHE A 48 2.802 4.159 -3.363 1.00 34.00 C ATOM 749 CZ PHE A 48 2.155 3.179 -2.638 1.00 70.41 C ATOM 0 H PHE A 48 5.091 8.430 0.413 1.00 33.11 H new ATOM 0 HA PHE A 48 4.630 5.692 1.048 1.00 42.14 H new ATOM 0 HB2 PHE A 48 2.935 7.080 -0.025 1.00 11.55 H new ATOM 0 HB3 PHE A 48 3.988 7.390 -1.392 1.00 11.55 H new ATOM 0 HD1 PHE A 48 2.396 4.532 0.436 1.00 13.14 H new ATOM 0 HD2 PHE A 48 3.807 6.038 -3.294 1.00 23.34 H new ATOM 0 HE1 PHE A 48 1.501 2.549 -0.704 1.00 22.41 H new ATOM 0 HE2 PHE A 48 2.917 4.053 -4.432 1.00 34.00 H new ATOM 0 HZ PHE A 48 1.764 2.306 -3.139 1.00 70.41 H new ATOM 759 N ASN A 49 6.659 6.322 -1.509 1.00 41.44 N ATOM 760 CA ASN A 49 7.764 5.755 -2.290 1.00 74.31 C ATOM 761 C ASN A 49 8.912 5.315 -1.370 1.00 0.42 C ATOM 762 O ASN A 49 9.542 4.277 -1.588 1.00 11.51 O ATOM 763 CB ASN A 49 8.275 6.766 -3.327 1.00 32.44 C ATOM 764 CG ASN A 49 7.299 6.967 -4.476 1.00 72.31 C ATOM 765 OD1 ASN A 49 7.326 6.236 -5.460 1.00 43.35 O ATOM 766 ND2 ASN A 49 6.447 7.968 -4.377 1.00 25.41 N ATOM 0 H ASN A 49 6.443 7.295 -1.727 1.00 41.44 H new ATOM 0 HA ASN A 49 7.386 4.879 -2.817 1.00 74.31 H new ATOM 0 HB2 ASN A 49 8.457 7.723 -2.838 1.00 32.44 H new ATOM 0 HB3 ASN A 49 9.231 6.424 -3.723 1.00 32.44 H new ATOM 0 HD21 ASN A 49 5.786 8.152 -5.132 1.00 25.41 H new ATOM 0 HD22 ASN A 49 6.449 8.559 -3.546 1.00 25.41 H new ATOM 773 N GLU A 50 9.172 6.111 -0.336 1.00 34.00 N ATOM 774 CA GLU A 50 10.196 5.782 0.659 1.00 40.53 C ATOM 775 C GLU A 50 9.737 4.650 1.590 1.00 1.45 C ATOM 776 O GLU A 50 10.560 3.919 2.128 1.00 63.52 O ATOM 777 CB GLU A 50 10.570 7.023 1.478 1.00 0.31 C ATOM 778 CG GLU A 50 11.317 8.086 0.676 1.00 4.44 C ATOM 779 CD GLU A 50 11.724 9.288 1.512 1.00 30.41 C ATOM 780 OE1 GLU A 50 12.188 9.094 2.658 1.00 32.13 O ATOM 781 OE2 GLU A 50 11.586 10.433 1.031 1.00 32.32 O ATOM 0 H GLU A 50 8.687 6.992 -0.163 1.00 34.00 H new ATOM 0 HA GLU A 50 11.077 5.435 0.120 1.00 40.53 H new ATOM 0 HB2 GLU A 50 9.662 7.463 1.890 1.00 0.31 H new ATOM 0 HB3 GLU A 50 11.187 6.717 2.323 1.00 0.31 H new ATOM 0 HG2 GLU A 50 12.208 7.640 0.234 1.00 4.44 H new ATOM 0 HG3 GLU A 50 10.686 8.421 -0.148 1.00 4.44 H new ATOM 788 N LEU A 51 8.425 4.507 1.775 1.00 23.55 N ATOM 789 CA LEU A 51 7.856 3.417 2.584 1.00 31.42 C ATOM 790 C LEU A 51 8.389 2.056 2.112 1.00 64.10 C ATOM 791 O LEU A 51 8.762 1.202 2.917 1.00 71.42 O ATOM 792 CB LEU A 51 6.321 3.445 2.487 1.00 75.13 C ATOM 793 CG LEU A 51 5.570 2.396 3.324 1.00 61.24 C ATOM 794 CD1 LEU A 51 5.796 2.626 4.816 1.00 71.12 C ATOM 795 CD2 LEU A 51 4.079 2.421 2.992 1.00 62.12 C ATOM 0 H LEU A 51 7.728 5.135 1.375 1.00 23.55 H new ATOM 0 HA LEU A 51 8.154 3.561 3.622 1.00 31.42 H new ATOM 0 HB2 LEU A 51 5.976 4.434 2.788 1.00 75.13 H new ATOM 0 HB3 LEU A 51 6.041 3.314 1.442 1.00 75.13 H new ATOM 0 HG LEU A 51 5.964 1.411 3.074 1.00 61.24 H new ATOM 0 HD11 LEU A 51 5.255 1.871 5.387 1.00 71.12 H new ATOM 0 HD12 LEU A 51 6.861 2.554 5.038 1.00 71.12 H new ATOM 0 HD13 LEU A 51 5.434 3.617 5.090 1.00 71.12 H new ATOM 0 HD21 LEU A 51 3.560 1.673 3.592 1.00 62.12 H new ATOM 0 HD22 LEU A 51 3.674 3.408 3.213 1.00 62.12 H new ATOM 0 HD23 LEU A 51 3.938 2.199 1.934 1.00 62.12 H new ATOM 807 N LEU A 52 8.448 1.889 0.793 1.00 72.23 N ATOM 808 CA LEU A 52 8.933 0.651 0.174 1.00 64.30 C ATOM 809 C LEU A 52 10.461 0.490 0.322 1.00 53.41 C ATOM 810 O LEU A 52 10.999 -0.602 0.141 1.00 52.40 O ATOM 811 CB LEU A 52 8.542 0.639 -1.310 1.00 4.41 C ATOM 812 CG LEU A 52 7.043 0.864 -1.589 1.00 41.33 C ATOM 813 CD1 LEU A 52 6.767 0.911 -3.090 1.00 1.45 C ATOM 814 CD2 LEU A 52 6.196 -0.221 -0.924 1.00 34.22 C ATOM 0 H LEU A 52 8.163 2.603 0.123 1.00 72.23 H new ATOM 0 HA LEU A 52 8.469 -0.190 0.690 1.00 64.30 H new ATOM 0 HB2 LEU A 52 9.112 1.411 -1.827 1.00 4.41 H new ATOM 0 HB3 LEU A 52 8.837 -0.318 -1.741 1.00 4.41 H new ATOM 0 HG LEU A 52 6.765 1.827 -1.161 1.00 41.33 H new ATOM 0 HD11 LEU A 52 5.702 1.071 -3.259 1.00 1.45 H new ATOM 0 HD12 LEU A 52 7.332 1.728 -3.538 1.00 1.45 H new ATOM 0 HD13 LEU A 52 7.069 -0.032 -3.545 1.00 1.45 H new ATOM 0 HD21 LEU A 52 5.142 -0.040 -1.135 1.00 34.22 H new ATOM 0 HD22 LEU A 52 6.482 -1.197 -1.315 1.00 34.22 H new ATOM 0 HD23 LEU A 52 6.359 -0.200 0.154 1.00 34.22 H new ATOM 826 N ALA A 53 11.157 1.594 0.604 1.00 72.03 N ATOM 827 CA ALA A 53 12.607 1.567 0.862 1.00 53.24 C ATOM 828 C ALA A 53 12.915 1.372 2.359 1.00 60.44 C ATOM 829 O ALA A 53 13.906 0.739 2.729 1.00 62.05 O ATOM 830 CB ALA A 53 13.254 2.849 0.347 1.00 62.12 C ATOM 0 H ALA A 53 10.742 2.524 0.661 1.00 72.03 H new ATOM 0 HA ALA A 53 13.027 0.715 0.328 1.00 53.24 H new ATOM 0 HB1 ALA A 53 14.326 2.819 0.542 1.00 62.12 H new ATOM 0 HB2 ALA A 53 13.083 2.937 -0.726 1.00 62.12 H new ATOM 0 HB3 ALA A 53 12.816 3.708 0.856 1.00 62.12 H new ATOM 836 N ARG A 54 12.060 1.940 3.212 1.00 44.23 N ATOM 837 CA ARG A 54 12.221 1.857 4.670 1.00 71.34 C ATOM 838 C ARG A 54 11.843 0.457 5.184 1.00 25.03 C ATOM 839 O ARG A 54 12.421 -0.044 6.151 1.00 73.33 O ATOM 840 CB ARG A 54 11.349 2.926 5.356 1.00 63.40 C ATOM 841 CG ARG A 54 11.666 4.360 4.922 1.00 10.51 C ATOM 842 CD ARG A 54 10.642 5.360 5.463 1.00 55.32 C ATOM 843 NE ARG A 54 10.845 6.713 4.933 1.00 44.12 N ATOM 844 CZ ARG A 54 9.988 7.696 5.066 1.00 72.31 C ATOM 845 NH1 ARG A 54 8.869 7.527 5.694 1.00 4.42 N ATOM 846 NH2 ARG A 54 10.247 8.852 4.559 1.00 35.34 N ATOM 0 H ARG A 54 11.239 2.469 2.916 1.00 44.23 H new ATOM 0 HA ARG A 54 13.268 2.038 4.912 1.00 71.34 H new ATOM 0 HB2 ARG A 54 10.301 2.716 5.144 1.00 63.40 H new ATOM 0 HB3 ARG A 54 11.477 2.847 6.436 1.00 63.40 H new ATOM 0 HG2 ARG A 54 12.661 4.634 5.273 1.00 10.51 H new ATOM 0 HG3 ARG A 54 11.686 4.414 3.834 1.00 10.51 H new ATOM 0 HD2 ARG A 54 9.638 5.020 5.209 1.00 55.32 H new ATOM 0 HD3 ARG A 54 10.704 5.386 6.551 1.00 55.32 H new ATOM 0 HE ARG A 54 11.711 6.901 4.427 1.00 44.12 H new ATOM 0 HH11 ARG A 54 8.642 6.617 6.095 1.00 4.42 H new ATOM 0 HH12 ARG A 54 8.214 8.304 5.788 1.00 4.42 H new ATOM 0 HH21 ARG A 54 11.120 9.003 4.053 1.00 35.34 H new ATOM 0 HH22 ARG A 54 9.579 9.616 4.663 1.00 35.34 H new ATOM 860 N TYR A 55 10.857 -0.161 4.535 1.00 63.51 N ATOM 861 CA TYR A 55 10.427 -1.522 4.870 1.00 73.33 C ATOM 862 C TYR A 55 10.821 -2.504 3.751 1.00 23.33 C ATOM 863 O TYR A 55 10.507 -2.277 2.584 1.00 23.41 O ATOM 864 CB TYR A 55 8.908 -1.558 5.089 1.00 32.51 C ATOM 865 CG TYR A 55 8.424 -0.704 6.254 1.00 23.02 C ATOM 866 CD1 TYR A 55 8.419 0.684 6.169 1.00 51.44 C ATOM 867 CD2 TYR A 55 7.972 -1.286 7.435 1.00 51.12 C ATOM 868 CE1 TYR A 55 7.978 1.465 7.220 1.00 53.34 C ATOM 869 CE2 TYR A 55 7.526 -0.510 8.489 1.00 24.24 C ATOM 870 CZ TYR A 55 7.532 0.865 8.378 1.00 23.35 C ATOM 871 OH TYR A 55 7.084 1.644 9.424 1.00 4.44 O ATOM 0 H TYR A 55 10.336 0.262 3.767 1.00 63.51 H new ATOM 0 HA TYR A 55 10.926 -1.825 5.791 1.00 73.33 H new ATOM 0 HB2 TYR A 55 8.413 -1.223 4.178 1.00 32.51 H new ATOM 0 HB3 TYR A 55 8.601 -2.590 5.258 1.00 32.51 H new ATOM 0 HD1 TYR A 55 8.766 1.161 5.264 1.00 51.44 H new ATOM 0 HD2 TYR A 55 7.970 -2.362 7.530 1.00 51.12 H new ATOM 0 HE1 TYR A 55 7.983 2.542 7.135 1.00 53.34 H new ATOM 0 HE2 TYR A 55 7.174 -0.979 9.396 1.00 24.24 H new ATOM 0 HH TYR A 55 6.804 1.067 10.165 1.00 4.44 H new ATOM 881 N PRO A 56 11.506 -3.615 4.093 1.00 64.02 N ATOM 882 CA PRO A 56 12.007 -4.585 3.096 1.00 65.14 C ATOM 883 C PRO A 56 10.883 -5.360 2.380 1.00 22.41 C ATOM 884 O PRO A 56 10.226 -6.220 2.972 1.00 31.34 O ATOM 885 CB PRO A 56 12.874 -5.533 3.941 1.00 24.30 C ATOM 886 CG PRO A 56 12.289 -5.447 5.309 1.00 12.22 C ATOM 887 CD PRO A 56 11.841 -4.021 5.472 1.00 10.32 C ATOM 0 HA PRO A 56 12.544 -4.091 2.286 1.00 65.14 H new ATOM 0 HB2 PRO A 56 12.839 -6.552 3.557 1.00 24.30 H new ATOM 0 HB3 PRO A 56 13.920 -5.226 3.936 1.00 24.30 H new ATOM 0 HG2 PRO A 56 11.451 -6.136 5.420 1.00 12.22 H new ATOM 0 HG3 PRO A 56 13.025 -5.715 6.067 1.00 12.22 H new ATOM 0 HD2 PRO A 56 10.980 -3.942 6.136 1.00 10.32 H new ATOM 0 HD3 PRO A 56 12.628 -3.397 5.896 1.00 10.32 H new ATOM 895 N LEU A 57 10.668 -5.046 1.102 1.00 43.21 N ATOM 896 CA LEU A 57 9.646 -5.722 0.291 1.00 15.13 C ATOM 897 C LEU A 57 10.216 -6.205 -1.053 1.00 51.41 C ATOM 898 O LEU A 57 11.132 -5.598 -1.609 1.00 25.30 O ATOM 899 CB LEU A 57 8.460 -4.777 0.033 1.00 73.04 C ATOM 900 CG LEU A 57 7.715 -4.284 1.284 1.00 65.50 C ATOM 901 CD1 LEU A 57 6.601 -3.319 0.895 1.00 21.24 C ATOM 902 CD2 LEU A 57 7.152 -5.460 2.082 1.00 55.25 C ATOM 0 H LEU A 57 11.188 -4.325 0.602 1.00 43.21 H new ATOM 0 HA LEU A 57 9.308 -6.593 0.852 1.00 15.13 H new ATOM 0 HB2 LEU A 57 8.824 -3.909 -0.516 1.00 73.04 H new ATOM 0 HB3 LEU A 57 7.747 -5.287 -0.614 1.00 73.04 H new ATOM 0 HG LEU A 57 8.427 -3.755 1.918 1.00 65.50 H new ATOM 0 HD11 LEU A 57 6.084 -2.980 1.792 1.00 21.24 H new ATOM 0 HD12 LEU A 57 7.028 -2.461 0.376 1.00 21.24 H new ATOM 0 HD13 LEU A 57 5.894 -3.825 0.238 1.00 21.24 H new ATOM 0 HD21 LEU A 57 6.629 -5.085 2.962 1.00 55.25 H new ATOM 0 HD22 LEU A 57 6.457 -6.023 1.459 1.00 55.25 H new ATOM 0 HD23 LEU A 57 7.968 -6.112 2.394 1.00 55.25 H new ATOM 914 N THR A 58 9.672 -7.309 -1.566 1.00 12.34 N ATOM 915 CA THR A 58 10.031 -7.811 -2.901 1.00 73.11 C ATOM 916 C THR A 58 9.183 -7.120 -3.980 1.00 33.23 C ATOM 917 O THR A 58 8.117 -6.583 -3.682 1.00 51.11 O ATOM 918 CB THR A 58 9.838 -9.345 -3.014 1.00 25.20 C ATOM 919 OG1 THR A 58 8.441 -9.683 -2.929 1.00 45.25 O ATOM 920 CG2 THR A 58 10.611 -10.077 -1.923 1.00 21.44 C ATOM 0 H THR A 58 8.979 -7.877 -1.079 1.00 12.34 H new ATOM 0 HA THR A 58 11.086 -7.583 -3.053 1.00 73.11 H new ATOM 0 HB THR A 58 10.225 -9.659 -3.983 1.00 25.20 H new ATOM 0 HG1 THR A 58 8.334 -10.654 -3.003 1.00 45.25 H new ATOM 0 HG21 THR A 58 10.457 -11.151 -2.027 1.00 21.44 H new ATOM 0 HG22 THR A 58 11.673 -9.852 -2.016 1.00 21.44 H new ATOM 0 HG23 THR A 58 10.256 -9.752 -0.945 1.00 21.44 H new ATOM 928 N GLU A 59 9.649 -7.147 -5.231 1.00 22.54 N ATOM 929 CA GLU A 59 8.995 -6.414 -6.337 1.00 64.44 C ATOM 930 C GLU A 59 7.459 -6.545 -6.334 1.00 72.22 C ATOM 931 O GLU A 59 6.743 -5.543 -6.409 1.00 53.14 O ATOM 932 CB GLU A 59 9.547 -6.886 -7.686 1.00 74.02 C ATOM 933 CG GLU A 59 11.039 -6.622 -7.866 1.00 22.53 C ATOM 934 CD GLU A 59 11.537 -6.986 -9.254 1.00 74.43 C ATOM 935 OE1 GLU A 59 11.907 -8.157 -9.475 1.00 21.30 O ATOM 936 OE2 GLU A 59 11.552 -6.104 -10.135 1.00 42.43 O ATOM 0 H GLU A 59 10.479 -7.668 -5.512 1.00 22.54 H new ATOM 0 HA GLU A 59 9.225 -5.360 -6.182 1.00 64.44 H new ATOM 0 HB2 GLU A 59 9.361 -7.955 -7.790 1.00 74.02 H new ATOM 0 HB3 GLU A 59 9.000 -6.388 -8.486 1.00 74.02 H new ATOM 0 HG2 GLU A 59 11.242 -5.568 -7.677 1.00 22.53 H new ATOM 0 HG3 GLU A 59 11.597 -7.193 -7.123 1.00 22.53 H new ATOM 943 N SER A 60 6.953 -7.774 -6.238 1.00 3.24 N ATOM 944 CA SER A 60 5.499 -8.014 -6.223 1.00 64.42 C ATOM 945 C SER A 60 4.830 -7.381 -4.995 1.00 43.13 C ATOM 946 O SER A 60 3.673 -6.969 -5.054 1.00 11.22 O ATOM 947 CB SER A 60 5.191 -9.515 -6.260 1.00 1.31 C ATOM 948 OG SER A 60 5.665 -10.110 -7.458 1.00 34.43 O ATOM 0 H SER A 60 7.520 -8.619 -6.169 1.00 3.24 H new ATOM 0 HA SER A 60 5.091 -7.542 -7.117 1.00 64.42 H new ATOM 0 HB2 SER A 60 5.652 -10.004 -5.402 1.00 1.31 H new ATOM 0 HB3 SER A 60 4.115 -9.670 -6.176 1.00 1.31 H new ATOM 0 HG SER A 60 5.456 -11.067 -7.453 1.00 34.43 H new ATOM 954 N GLN A 61 5.557 -7.310 -3.880 1.00 35.51 N ATOM 955 CA GLN A 61 5.044 -6.661 -2.668 1.00 14.04 C ATOM 956 C GLN A 61 4.904 -5.146 -2.877 1.00 42.33 C ATOM 957 O GLN A 61 3.922 -4.543 -2.447 1.00 10.31 O ATOM 958 CB GLN A 61 5.953 -6.955 -1.465 1.00 12.02 C ATOM 959 CG GLN A 61 5.975 -8.423 -1.056 1.00 60.40 C ATOM 960 CD GLN A 61 6.854 -8.683 0.154 1.00 63.52 C ATOM 961 OE1 GLN A 61 8.036 -8.986 0.030 1.00 64.22 O ATOM 962 NE2 GLN A 61 6.291 -8.560 1.335 1.00 64.23 N ATOM 0 H GLN A 61 6.499 -7.691 -3.788 1.00 35.51 H new ATOM 0 HA GLN A 61 4.056 -7.071 -2.460 1.00 14.04 H new ATOM 0 HB2 GLN A 61 6.969 -6.638 -1.703 1.00 12.02 H new ATOM 0 HB3 GLN A 61 5.623 -6.356 -0.617 1.00 12.02 H new ATOM 0 HG2 GLN A 61 4.958 -8.750 -0.838 1.00 60.40 H new ATOM 0 HG3 GLN A 61 6.330 -9.024 -1.893 1.00 60.40 H new ATOM 0 HE21 GLN A 61 5.306 -8.307 1.406 1.00 64.23 H new ATOM 0 HE22 GLN A 61 6.840 -8.718 2.180 1.00 64.23 H new ATOM 971 N LEU A 62 5.880 -4.535 -3.551 1.00 22.43 N ATOM 972 CA LEU A 62 5.785 -3.112 -3.915 1.00 23.33 C ATOM 973 C LEU A 62 4.571 -2.872 -4.825 1.00 75.24 C ATOM 974 O LEU A 62 3.816 -1.913 -4.643 1.00 51.22 O ATOM 975 CB LEU A 62 7.066 -2.618 -4.614 1.00 20.24 C ATOM 976 CG LEU A 62 8.309 -2.443 -3.715 1.00 55.22 C ATOM 977 CD1 LEU A 62 8.882 -3.784 -3.293 1.00 20.53 C ATOM 978 CD2 LEU A 62 9.372 -1.605 -4.422 1.00 34.21 C ATOM 0 H LEU A 62 6.739 -4.994 -3.855 1.00 22.43 H new ATOM 0 HA LEU A 62 5.663 -2.546 -2.992 1.00 23.33 H new ATOM 0 HB2 LEU A 62 7.315 -3.320 -5.410 1.00 20.24 H new ATOM 0 HB3 LEU A 62 6.850 -1.661 -5.089 1.00 20.24 H new ATOM 0 HG LEU A 62 7.994 -1.917 -2.814 1.00 55.22 H new ATOM 0 HD11 LEU A 62 9.756 -3.624 -2.661 1.00 20.53 H new ATOM 0 HD12 LEU A 62 8.129 -4.342 -2.736 1.00 20.53 H new ATOM 0 HD13 LEU A 62 9.173 -4.350 -4.178 1.00 20.53 H new ATOM 0 HD21 LEU A 62 10.240 -1.494 -3.772 1.00 34.21 H new ATOM 0 HD22 LEU A 62 9.672 -2.101 -5.345 1.00 34.21 H new ATOM 0 HD23 LEU A 62 8.964 -0.621 -4.655 1.00 34.21 H new ATOM 990 N ALA A 63 4.391 -3.758 -5.802 1.00 1.25 N ATOM 991 CA ALA A 63 3.231 -3.706 -6.698 1.00 34.21 C ATOM 992 C ALA A 63 1.916 -3.869 -5.917 1.00 52.05 C ATOM 993 O ALA A 63 0.927 -3.186 -6.194 1.00 23.32 O ATOM 994 CB ALA A 63 3.348 -4.783 -7.770 1.00 3.23 C ATOM 0 H ALA A 63 5.035 -4.525 -5.996 1.00 1.25 H new ATOM 0 HA ALA A 63 3.216 -2.727 -7.177 1.00 34.21 H new ATOM 0 HB1 ALA A 63 2.482 -4.735 -8.430 1.00 3.23 H new ATOM 0 HB2 ALA A 63 4.256 -4.621 -8.351 1.00 3.23 H new ATOM 0 HB3 ALA A 63 3.390 -5.764 -7.297 1.00 3.23 H new ATOM 1000 N LEU A 64 1.920 -4.777 -4.935 1.00 34.44 N ATOM 1001 CA LEU A 64 0.755 -5.000 -4.070 1.00 30.30 C ATOM 1002 C LEU A 64 0.410 -3.741 -3.255 1.00 51.10 C ATOM 1003 O LEU A 64 -0.737 -3.302 -3.234 1.00 30.23 O ATOM 1004 CB LEU A 64 1.019 -6.177 -3.117 1.00 61.23 C ATOM 1005 CG LEU A 64 -0.126 -6.503 -2.142 1.00 73.14 C ATOM 1006 CD1 LEU A 64 -1.378 -6.939 -2.898 1.00 62.01 C ATOM 1007 CD2 LEU A 64 0.307 -7.568 -1.139 1.00 63.44 C ATOM 0 H LEU A 64 2.720 -5.372 -4.718 1.00 34.44 H new ATOM 0 HA LEU A 64 -0.094 -5.234 -4.712 1.00 30.30 H new ATOM 0 HB2 LEU A 64 1.231 -7.065 -3.713 1.00 61.23 H new ATOM 0 HB3 LEU A 64 1.917 -5.960 -2.538 1.00 61.23 H new ATOM 0 HG LEU A 64 -0.370 -5.596 -1.588 1.00 73.14 H new ATOM 0 HD11 LEU A 64 -2.173 -7.164 -2.187 1.00 62.01 H new ATOM 0 HD12 LEU A 64 -1.701 -6.136 -3.561 1.00 62.01 H new ATOM 0 HD13 LEU A 64 -1.156 -7.829 -3.487 1.00 62.01 H new ATOM 0 HD21 LEU A 64 -0.517 -7.784 -0.459 1.00 63.44 H new ATOM 0 HD22 LEU A 64 0.586 -8.477 -1.671 1.00 63.44 H new ATOM 0 HD23 LEU A 64 1.162 -7.205 -0.569 1.00 63.44 H new ATOM 1019 N VAL A 65 1.411 -3.165 -2.592 1.00 13.11 N ATOM 1020 CA VAL A 65 1.224 -1.930 -1.816 1.00 31.55 C ATOM 1021 C VAL A 65 0.673 -0.796 -2.698 1.00 51.03 C ATOM 1022 O VAL A 65 -0.257 -0.083 -2.309 1.00 2.22 O ATOM 1023 CB VAL A 65 2.549 -1.476 -1.148 1.00 61.25 C ATOM 1024 CG1 VAL A 65 2.374 -0.160 -0.395 1.00 22.11 C ATOM 1025 CG2 VAL A 65 3.070 -2.562 -0.209 1.00 4.43 C ATOM 0 H VAL A 65 2.363 -3.531 -2.574 1.00 13.11 H new ATOM 0 HA VAL A 65 0.498 -2.151 -1.034 1.00 31.55 H new ATOM 0 HB VAL A 65 3.281 -1.311 -1.939 1.00 61.25 H new ATOM 0 HG11 VAL A 65 3.322 0.128 0.060 1.00 22.11 H new ATOM 0 HG12 VAL A 65 2.054 0.617 -1.090 1.00 22.11 H new ATOM 0 HG13 VAL A 65 1.621 -0.283 0.383 1.00 22.11 H new ATOM 0 HG21 VAL A 65 4.000 -2.229 0.252 1.00 4.43 H new ATOM 0 HG22 VAL A 65 2.330 -2.758 0.567 1.00 4.43 H new ATOM 0 HG23 VAL A 65 3.253 -3.475 -0.775 1.00 4.43 H new ATOM 1035 N ARG A 66 1.242 -0.644 -3.895 1.00 72.51 N ATOM 1036 CA ARG A 66 0.754 0.344 -4.864 1.00 75.31 C ATOM 1037 C ARG A 66 -0.667 0.004 -5.350 1.00 54.31 C ATOM 1038 O ARG A 66 -1.432 0.891 -5.736 1.00 34.22 O ATOM 1039 CB ARG A 66 1.712 0.436 -6.062 1.00 44.40 C ATOM 1040 CG ARG A 66 3.093 0.995 -5.712 1.00 54.35 C ATOM 1041 CD ARG A 66 4.006 1.054 -6.935 1.00 64.35 C ATOM 1042 NE ARG A 66 5.318 1.626 -6.631 1.00 32.23 N ATOM 1043 CZ ARG A 66 6.282 1.754 -7.507 1.00 51.04 C ATOM 1044 NH1 ARG A 66 6.097 1.441 -8.749 1.00 31.35 N ATOM 1045 NH2 ARG A 66 7.427 2.226 -7.144 1.00 23.32 N ATOM 0 H ARG A 66 2.040 -1.191 -4.218 1.00 72.51 H new ATOM 0 HA ARG A 66 0.716 1.310 -4.360 1.00 75.31 H new ATOM 0 HB2 ARG A 66 1.832 -0.557 -6.495 1.00 44.40 H new ATOM 0 HB3 ARG A 66 1.260 1.066 -6.828 1.00 44.40 H new ATOM 0 HG2 ARG A 66 2.985 1.994 -5.290 1.00 54.35 H new ATOM 0 HG3 ARG A 66 3.553 0.373 -4.944 1.00 54.35 H new ATOM 0 HD2 ARG A 66 4.136 0.049 -7.335 1.00 64.35 H new ATOM 0 HD3 ARG A 66 3.527 1.648 -7.713 1.00 64.35 H new ATOM 0 HE ARG A 66 5.492 1.945 -5.678 1.00 32.23 H new ATOM 0 HH11 ARG A 66 5.190 1.089 -9.057 1.00 31.35 H new ATOM 0 HH12 ARG A 66 6.858 1.546 -9.420 1.00 31.35 H new ATOM 0 HH21 ARG A 66 7.581 2.500 -6.174 1.00 23.32 H new ATOM 0 HH22 ARG A 66 8.178 2.325 -7.827 1.00 23.32 H new ATOM 1059 N ASP A 67 -1.013 -1.283 -5.335 1.00 63.13 N ATOM 1060 CA ASP A 67 -2.354 -1.728 -5.726 1.00 63.53 C ATOM 1061 C ASP A 67 -3.375 -1.417 -4.619 1.00 14.03 C ATOM 1062 O ASP A 67 -4.467 -0.916 -4.889 1.00 42.44 O ATOM 1063 CB ASP A 67 -2.339 -3.231 -6.036 1.00 71.22 C ATOM 1064 CG ASP A 67 -3.524 -3.660 -6.881 1.00 41.25 C ATOM 1065 OD1 ASP A 67 -4.620 -3.870 -6.322 1.00 51.52 O ATOM 1066 OD2 ASP A 67 -3.363 -3.789 -8.114 1.00 54.42 O ATOM 0 H ASP A 67 -0.385 -2.037 -5.057 1.00 63.13 H new ATOM 0 HA ASP A 67 -2.652 -1.186 -6.624 1.00 63.53 H new ATOM 0 HB2 ASP A 67 -1.415 -3.482 -6.557 1.00 71.22 H new ATOM 0 HB3 ASP A 67 -2.341 -3.792 -5.101 1.00 71.22 H new ATOM 1071 N ILE A 68 -3.006 -1.706 -3.371 1.00 64.21 N ATOM 1072 CA ILE A 68 -3.854 -1.392 -2.219 1.00 3.40 C ATOM 1073 C ILE A 68 -4.164 0.111 -2.166 1.00 34.02 C ATOM 1074 O ILE A 68 -5.308 0.511 -1.933 1.00 40.41 O ATOM 1075 CB ILE A 68 -3.191 -1.842 -0.890 1.00 24.50 C ATOM 1076 CG1 ILE A 68 -2.947 -3.362 -0.904 1.00 0.30 C ATOM 1077 CG2 ILE A 68 -4.054 -1.444 0.310 1.00 25.42 C ATOM 1078 CD1 ILE A 68 -2.266 -3.889 0.344 1.00 53.41 C ATOM 0 H ILE A 68 -2.124 -2.158 -3.131 1.00 64.21 H new ATOM 0 HA ILE A 68 -4.787 -1.942 -2.340 1.00 3.40 H new ATOM 0 HB ILE A 68 -2.230 -1.337 -0.796 1.00 24.50 H new ATOM 0 HG12 ILE A 68 -3.903 -3.872 -1.027 1.00 0.30 H new ATOM 0 HG13 ILE A 68 -2.337 -3.614 -1.772 1.00 0.30 H new ATOM 0 HG21 ILE A 68 -3.570 -1.770 1.231 1.00 25.42 H new ATOM 0 HG22 ILE A 68 -4.176 -0.361 0.327 1.00 25.42 H new ATOM 0 HG23 ILE A 68 -5.032 -1.918 0.228 1.00 25.42 H new ATOM 0 HD11 ILE A 68 -2.130 -4.967 0.257 1.00 53.41 H new ATOM 0 HD12 ILE A 68 -1.294 -3.409 0.459 1.00 53.41 H new ATOM 0 HD13 ILE A 68 -2.884 -3.671 1.215 1.00 53.41 H new ATOM 1090 N ARG A 69 -3.144 0.942 -2.396 1.00 41.22 N ATOM 1091 CA ARG A 69 -3.352 2.389 -2.507 1.00 34.23 C ATOM 1092 C ARG A 69 -4.293 2.723 -3.675 1.00 12.35 C ATOM 1093 O ARG A 69 -5.111 3.634 -3.579 1.00 65.21 O ATOM 1094 CB ARG A 69 -2.014 3.133 -2.673 1.00 22.22 C ATOM 1095 CG ARG A 69 -2.180 4.593 -3.107 1.00 31.30 C ATOM 1096 CD ARG A 69 -0.878 5.385 -3.030 1.00 22.12 C ATOM 1097 NE ARG A 69 -0.494 5.665 -1.649 1.00 45.15 N ATOM 1098 CZ ARG A 69 -0.071 6.824 -1.224 1.00 4.15 C ATOM 1099 NH1 ARG A 69 0.095 7.816 -2.044 1.00 42.23 N ATOM 1100 NH2 ARG A 69 0.204 6.982 0.026 1.00 2.12 N ATOM 0 H ARG A 69 -2.175 0.642 -2.508 1.00 41.22 H new ATOM 0 HA ARG A 69 -3.818 2.724 -1.580 1.00 34.23 H new ATOM 0 HB2 ARG A 69 -1.470 3.102 -1.729 1.00 22.22 H new ATOM 0 HB3 ARG A 69 -1.405 2.610 -3.410 1.00 22.22 H new ATOM 0 HG2 ARG A 69 -2.558 4.623 -4.129 1.00 31.30 H new ATOM 0 HG3 ARG A 69 -2.929 5.072 -2.476 1.00 31.30 H new ATOM 0 HD2 ARG A 69 -0.083 4.825 -3.522 1.00 22.12 H new ATOM 0 HD3 ARG A 69 -0.991 6.323 -3.573 1.00 22.12 H new ATOM 0 HE ARG A 69 -0.561 4.905 -0.972 1.00 45.15 H new ATOM 0 HH11 ARG A 69 -0.106 7.696 -3.037 1.00 42.23 H new ATOM 0 HH12 ARG A 69 0.426 8.716 -1.696 1.00 42.23 H new ATOM 0 HH21 ARG A 69 0.090 6.204 0.676 1.00 2.12 H new ATOM 0 HH22 ARG A 69 0.535 7.885 0.365 1.00 2.12 H new ATOM 1114 N ARG A 70 -4.175 1.980 -4.774 1.00 3.41 N ATOM 1115 CA ARG A 70 -5.061 2.162 -5.931 1.00 73.14 C ATOM 1116 C ARG A 70 -6.528 1.914 -5.546 1.00 25.45 C ATOM 1117 O ARG A 70 -7.403 2.738 -5.818 1.00 70.22 O ATOM 1118 CB ARG A 70 -4.651 1.208 -7.064 1.00 10.14 C ATOM 1119 CG ARG A 70 -5.467 1.368 -8.347 1.00 12.11 C ATOM 1120 CD ARG A 70 -5.092 0.315 -9.385 1.00 74.02 C ATOM 1121 NE ARG A 70 -3.659 0.315 -9.676 1.00 5.00 N ATOM 1122 CZ ARG A 70 -3.097 -0.377 -10.628 1.00 14.14 C ATOM 1123 NH1 ARG A 70 -3.807 -1.124 -11.413 1.00 41.45 N ATOM 1124 NH2 ARG A 70 -1.817 -0.321 -10.787 1.00 41.11 N ATOM 0 H ARG A 70 -3.476 1.246 -4.891 1.00 3.41 H new ATOM 0 HA ARG A 70 -4.965 3.192 -6.273 1.00 73.14 H new ATOM 0 HB2 ARG A 70 -3.598 1.368 -7.295 1.00 10.14 H new ATOM 0 HB3 ARG A 70 -4.748 0.181 -6.711 1.00 10.14 H new ATOM 0 HG2 ARG A 70 -6.529 1.290 -8.116 1.00 12.11 H new ATOM 0 HG3 ARG A 70 -5.304 2.363 -8.761 1.00 12.11 H new ATOM 0 HD2 ARG A 70 -5.388 -0.670 -9.025 1.00 74.02 H new ATOM 0 HD3 ARG A 70 -5.648 0.499 -10.304 1.00 74.02 H new ATOM 0 HE ARG A 70 -3.057 0.897 -9.094 1.00 5.00 H new ATOM 0 HH11 ARG A 70 -4.818 -1.176 -11.290 1.00 41.45 H new ATOM 0 HH12 ARG A 70 -3.355 -1.660 -12.154 1.00 41.45 H new ATOM 0 HH21 ARG A 70 -1.251 0.262 -10.170 1.00 41.11 H new ATOM 0 HH22 ARG A 70 -1.371 -0.860 -11.530 1.00 41.11 H new ATOM 1138 N ARG A 71 -6.786 0.779 -4.900 1.00 33.42 N ATOM 1139 CA ARG A 71 -8.149 0.404 -4.506 1.00 11.01 C ATOM 1140 C ARG A 71 -8.697 1.345 -3.420 1.00 20.32 C ATOM 1141 O ARG A 71 -9.875 1.705 -3.434 1.00 21.24 O ATOM 1142 CB ARG A 71 -8.183 -1.051 -4.009 1.00 23.30 C ATOM 1143 CG ARG A 71 -7.409 -2.028 -4.894 1.00 63.42 C ATOM 1144 CD ARG A 71 -7.846 -1.963 -6.356 1.00 20.42 C ATOM 1145 NE ARG A 71 -9.215 -2.435 -6.553 1.00 2.20 N ATOM 1146 CZ ARG A 71 -9.850 -2.388 -7.694 1.00 43.14 C ATOM 1147 NH1 ARG A 71 -9.287 -1.886 -8.745 1.00 71.40 N ATOM 1148 NH2 ARG A 71 -11.050 -2.859 -7.774 1.00 62.34 N ATOM 0 H ARG A 71 -6.071 0.101 -4.637 1.00 33.42 H new ATOM 0 HA ARG A 71 -8.786 0.495 -5.386 1.00 11.01 H new ATOM 0 HB2 ARG A 71 -7.774 -1.089 -2.999 1.00 23.30 H new ATOM 0 HB3 ARG A 71 -9.221 -1.378 -3.945 1.00 23.30 H new ATOM 0 HG2 ARG A 71 -6.343 -1.809 -4.826 1.00 63.42 H new ATOM 0 HG3 ARG A 71 -7.550 -3.042 -4.520 1.00 63.42 H new ATOM 0 HD2 ARG A 71 -7.765 -0.935 -6.711 1.00 20.42 H new ATOM 0 HD3 ARG A 71 -7.167 -2.564 -6.962 1.00 20.42 H new ATOM 0 HE ARG A 71 -9.706 -2.826 -5.749 1.00 2.20 H new ATOM 0 HH11 ARG A 71 -8.336 -1.521 -8.689 1.00 71.40 H new ATOM 0 HH12 ARG A 71 -9.794 -1.855 -9.630 1.00 71.40 H new ATOM 0 HH21 ARG A 71 -11.495 -3.264 -6.950 1.00 62.34 H new ATOM 0 HH22 ARG A 71 -11.553 -2.826 -8.661 1.00 62.34 H new ATOM 1162 N GLY A 72 -7.837 1.733 -2.480 1.00 65.15 N ATOM 1163 CA GLY A 72 -8.235 2.677 -1.439 1.00 0.00 C ATOM 1164 C GLY A 72 -8.469 4.088 -1.972 1.00 33.32 C ATOM 1165 O GLY A 72 -9.388 4.788 -1.535 1.00 14.31 O ATOM 0 H GLY A 72 -6.871 1.412 -2.418 1.00 65.15 H new ATOM 0 HA2 GLY A 72 -9.147 2.319 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.463 2.708 -0.670 1.00 0.00 H new ATOM 1169 N LYS A 73 -7.636 4.508 -2.920 1.00 32.11 N ATOM 1170 CA LYS A 73 -7.778 5.818 -3.561 1.00 31.31 C ATOM 1171 C LYS A 73 -9.109 5.917 -4.320 1.00 73.42 C ATOM 1172 O LYS A 73 -9.689 6.994 -4.427 1.00 71.13 O ATOM 1173 CB LYS A 73 -6.602 6.073 -4.519 1.00 63.54 C ATOM 1174 CG LYS A 73 -6.688 7.396 -5.281 1.00 25.23 C ATOM 1175 CD LYS A 73 -5.514 7.583 -6.243 1.00 52.12 C ATOM 1176 CE LYS A 73 -4.199 7.802 -5.502 1.00 12.11 C ATOM 1177 NZ LYS A 73 -4.157 9.126 -4.823 1.00 63.30 N ATOM 0 H LYS A 73 -6.849 3.958 -3.265 1.00 32.11 H new ATOM 0 HA LYS A 73 -7.772 6.580 -2.781 1.00 31.31 H new ATOM 0 HB2 LYS A 73 -5.673 6.055 -3.949 1.00 63.54 H new ATOM 0 HB3 LYS A 73 -6.550 5.255 -5.238 1.00 63.54 H new ATOM 0 HG2 LYS A 73 -7.623 7.432 -5.840 1.00 25.23 H new ATOM 0 HG3 LYS A 73 -6.709 8.222 -4.571 1.00 25.23 H new ATOM 0 HD2 LYS A 73 -5.427 6.706 -6.884 1.00 52.12 H new ATOM 0 HD3 LYS A 73 -5.710 8.435 -6.893 1.00 52.12 H new ATOM 0 HE2 LYS A 73 -4.062 7.011 -4.764 1.00 12.11 H new ATOM 0 HE3 LYS A 73 -3.370 7.728 -6.205 1.00 12.11 H new ATOM 0 HZ1 LYS A 73 -3.193 9.308 -4.476 1.00 63.30 H new ATOM 0 HZ2 LYS A 73 -4.429 9.870 -5.496 1.00 63.30 H new ATOM 0 HZ3 LYS A 73 -4.819 9.126 -4.021 1.00 63.30 H new