USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=6 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 -69:sc= 0.475 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.685 K(o=1.2,f=-2.8!) USER MOD Set 2.1: A 31 MET CE :methyl -162:sc= -0.0969 (180deg=-0.515) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -145:sc= 0.859 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.1 K(o=1.1,f=-0.026) USER MOD Single : A 49 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.65) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0283 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.828 -6.562 0.904 1.00 54.14 N ATOM 350 CA ASP A 24 -7.518 -5.897 0.866 1.00 42.20 C ATOM 351 C ASP A 24 -6.531 -6.559 1.845 1.00 12.33 C ATOM 352 O ASP A 24 -5.419 -6.941 1.471 1.00 50.11 O ATOM 353 CB ASP A 24 -7.689 -4.414 1.239 1.00 25.34 C ATOM 354 CG ASP A 24 -8.808 -3.741 0.462 1.00 2.01 C ATOM 355 OD1 ASP A 24 -9.963 -4.204 0.561 1.00 22.54 O ATOM 356 OD2 ASP A 24 -8.550 -2.755 -0.253 1.00 3.32 O ATOM 0 HA ASP A 24 -7.115 -5.988 -0.143 1.00 42.20 H new ATOM 0 HB2 ASP A 24 -7.893 -4.333 2.307 1.00 25.34 H new ATOM 0 HB3 ASP A 24 -6.754 -3.886 1.053 1.00 25.34 H new ATOM 361 N GLU A 25 -6.963 -6.689 3.101 1.00 53.41 N ATOM 362 CA GLU A 25 -6.159 -7.319 4.157 1.00 0.10 C ATOM 363 C GLU A 25 -5.658 -8.700 3.724 1.00 10.10 C ATOM 364 O GLU A 25 -4.488 -9.039 3.912 1.00 44.33 O ATOM 365 CB GLU A 25 -6.990 -7.462 5.439 1.00 2.11 C ATOM 366 CG GLU A 25 -7.624 -6.163 5.923 1.00 34.23 C ATOM 367 CD GLU A 25 -6.609 -5.126 6.372 1.00 44.40 C ATOM 368 OE1 GLU A 25 -5.882 -5.389 7.355 1.00 11.33 O ATOM 369 OE2 GLU A 25 -6.545 -4.045 5.756 1.00 73.52 O ATOM 0 H GLU A 25 -7.876 -6.363 3.417 1.00 53.41 H new ATOM 0 HA GLU A 25 -5.297 -6.679 4.345 1.00 0.10 H new ATOM 0 HB2 GLU A 25 -7.778 -8.195 5.268 1.00 2.11 H new ATOM 0 HB3 GLU A 25 -6.352 -7.858 6.229 1.00 2.11 H new ATOM 0 HG2 GLU A 25 -8.231 -5.743 5.121 1.00 34.23 H new ATOM 0 HG3 GLU A 25 -8.298 -6.383 6.751 1.00 34.23 H new ATOM 376 N ARG A 26 -6.556 -9.489 3.140 1.00 11.35 N ATOM 377 CA ARG A 26 -6.218 -10.837 2.676 1.00 65.51 C ATOM 378 C ARG A 26 -5.125 -10.805 1.595 1.00 53.53 C ATOM 379 O ARG A 26 -4.258 -11.677 1.552 1.00 50.41 O ATOM 380 CB ARG A 26 -7.476 -11.545 2.155 1.00 70.01 C ATOM 381 CG ARG A 26 -8.556 -11.735 3.221 1.00 73.35 C ATOM 382 CD ARG A 26 -8.061 -12.595 4.381 1.00 11.00 C ATOM 383 NE ARG A 26 -9.062 -12.748 5.435 1.00 62.01 N ATOM 384 CZ ARG A 26 -8.924 -13.538 6.467 1.00 71.35 C ATOM 385 NH1 ARG A 26 -7.847 -14.244 6.622 1.00 43.15 N ATOM 386 NH2 ARG A 26 -9.859 -13.617 7.357 1.00 63.24 N ATOM 0 H ARG A 26 -7.526 -9.220 2.975 1.00 11.35 H new ATOM 0 HA ARG A 26 -5.822 -11.397 3.523 1.00 65.51 H new ATOM 0 HB2 ARG A 26 -7.891 -10.969 1.328 1.00 70.01 H new ATOM 0 HB3 ARG A 26 -7.195 -12.520 1.756 1.00 70.01 H new ATOM 0 HG2 ARG A 26 -8.870 -10.762 3.598 1.00 73.35 H new ATOM 0 HG3 ARG A 26 -9.433 -12.201 2.771 1.00 73.35 H new ATOM 0 HD2 ARG A 26 -7.781 -13.579 4.005 1.00 11.00 H new ATOM 0 HD3 ARG A 26 -7.161 -12.147 4.802 1.00 11.00 H new ATOM 0 HE ARG A 26 -9.922 -12.204 5.360 1.00 62.01 H new ATOM 0 HH11 ARG A 26 -7.096 -14.186 5.934 1.00 43.15 H new ATOM 0 HH12 ARG A 26 -7.751 -14.857 7.432 1.00 43.15 H new ATOM 0 HH21 ARG A 26 -10.708 -13.061 7.255 1.00 63.24 H new ATOM 0 HH22 ARG A 26 -9.747 -14.235 8.161 1.00 63.24 H new ATOM 400 N ARG A 27 -5.162 -9.789 0.734 1.00 5.21 N ATOM 401 CA ARG A 27 -4.111 -9.597 -0.272 1.00 1.52 C ATOM 402 C ARG A 27 -2.778 -9.237 0.405 1.00 24.45 C ATOM 403 O ARG A 27 -1.718 -9.751 0.039 1.00 54.03 O ATOM 404 CB ARG A 27 -4.502 -8.489 -1.263 1.00 24.41 C ATOM 405 CG ARG A 27 -5.848 -8.703 -1.950 1.00 64.23 C ATOM 406 CD ARG A 27 -5.907 -10.022 -2.716 1.00 75.40 C ATOM 407 NE ARG A 27 -4.925 -10.083 -3.801 1.00 1.51 N ATOM 408 CZ ARG A 27 -5.045 -10.847 -4.855 1.00 33.45 C ATOM 409 NH1 ARG A 27 -6.095 -11.588 -5.015 1.00 34.12 N ATOM 410 NH2 ARG A 27 -4.121 -10.865 -5.759 1.00 41.41 N ATOM 0 H ARG A 27 -5.903 -9.088 0.710 1.00 5.21 H new ATOM 0 HA ARG A 27 -3.993 -10.533 -0.818 1.00 1.52 H new ATOM 0 HB2 ARG A 27 -4.526 -7.537 -0.733 1.00 24.41 H new ATOM 0 HB3 ARG A 27 -3.727 -8.411 -2.026 1.00 24.41 H new ATOM 0 HG2 ARG A 27 -6.641 -8.684 -1.203 1.00 64.23 H new ATOM 0 HG3 ARG A 27 -6.037 -7.878 -2.637 1.00 64.23 H new ATOM 0 HD2 ARG A 27 -5.733 -10.848 -2.026 1.00 75.40 H new ATOM 0 HD3 ARG A 27 -6.908 -10.155 -3.127 1.00 75.40 H new ATOM 0 HE ARG A 27 -4.096 -9.493 -3.730 1.00 1.51 H new ATOM 0 HH11 ARG A 27 -6.837 -11.579 -4.315 1.00 34.12 H new ATOM 0 HH12 ARG A 27 -6.180 -12.181 -5.841 1.00 34.12 H new ATOM 0 HH21 ARG A 27 -3.292 -10.281 -5.652 1.00 41.41 H new ATOM 0 HH22 ARG A 27 -4.221 -11.464 -6.579 1.00 41.41 H new ATOM 424 N ALA A 28 -2.850 -8.355 1.404 1.00 61.25 N ATOM 425 CA ALA A 28 -1.668 -7.915 2.149 1.00 43.11 C ATOM 426 C ALA A 28 -0.963 -9.085 2.856 1.00 22.02 C ATOM 427 O ALA A 28 0.230 -9.312 2.665 1.00 13.41 O ATOM 428 CB ALA A 28 -2.055 -6.839 3.159 1.00 3.22 C ATOM 0 H ALA A 28 -3.722 -7.928 1.718 1.00 61.25 H new ATOM 0 HA ALA A 28 -0.962 -7.498 1.431 1.00 43.11 H new ATOM 0 HB1 ALA A 28 -1.169 -6.519 3.707 1.00 3.22 H new ATOM 0 HB2 ALA A 28 -2.485 -5.986 2.635 1.00 3.22 H new ATOM 0 HB3 ALA A 28 -2.788 -7.243 3.858 1.00 3.22 H new ATOM 434 N LEU A 29 -1.712 -9.832 3.666 1.00 2.11 N ATOM 435 CA LEU A 29 -1.148 -10.964 4.416 1.00 61.21 C ATOM 436 C LEU A 29 -0.742 -12.127 3.491 1.00 11.11 C ATOM 437 O LEU A 29 0.070 -12.974 3.867 1.00 33.01 O ATOM 438 CB LEU A 29 -2.132 -11.428 5.511 1.00 54.30 C ATOM 439 CG LEU A 29 -3.552 -11.817 5.041 1.00 33.35 C ATOM 440 CD1 LEU A 29 -3.600 -13.249 4.509 1.00 20.02 C ATOM 441 CD2 LEU A 29 -4.565 -11.627 6.168 1.00 25.12 C ATOM 0 H LEU A 29 -2.708 -9.678 3.822 1.00 2.11 H new ATOM 0 HA LEU A 29 -0.234 -10.619 4.900 1.00 61.21 H new ATOM 0 HB2 LEU A 29 -1.695 -12.286 6.022 1.00 54.30 H new ATOM 0 HB3 LEU A 29 -2.223 -10.630 6.248 1.00 54.30 H new ATOM 0 HG LEU A 29 -3.818 -11.153 4.219 1.00 33.35 H new ATOM 0 HD11 LEU A 29 -4.615 -13.484 4.189 1.00 20.02 H new ATOM 0 HD12 LEU A 29 -2.921 -13.345 3.662 1.00 20.02 H new ATOM 0 HD13 LEU A 29 -3.299 -13.940 5.296 1.00 20.02 H new ATOM 0 HD21 LEU A 29 -5.558 -11.907 5.816 1.00 25.12 H new ATOM 0 HD22 LEU A 29 -4.290 -12.256 7.014 1.00 25.12 H new ATOM 0 HD23 LEU A 29 -4.571 -10.582 6.479 1.00 25.12 H new ATOM 453 N ALA A 30 -1.312 -12.170 2.286 1.00 21.24 N ATOM 454 CA ALA A 30 -0.914 -13.165 1.285 1.00 24.14 C ATOM 455 C ALA A 30 0.554 -12.974 0.865 1.00 2.41 C ATOM 456 O ALA A 30 1.298 -13.941 0.692 1.00 41.40 O ATOM 457 CB ALA A 30 -1.830 -13.091 0.069 1.00 5.11 C ATOM 0 H ALA A 30 -2.047 -11.532 1.979 1.00 21.24 H new ATOM 0 HA ALA A 30 -1.009 -14.153 1.736 1.00 24.14 H new ATOM 0 HB1 ALA A 30 -1.522 -13.836 -0.665 1.00 5.11 H new ATOM 0 HB2 ALA A 30 -2.858 -13.287 0.375 1.00 5.11 H new ATOM 0 HB3 ALA A 30 -1.767 -12.097 -0.374 1.00 5.11 H new ATOM 463 N MET A 31 0.963 -11.717 0.699 1.00 12.23 N ATOM 464 CA MET A 31 2.356 -11.390 0.359 1.00 23.45 C ATOM 465 C MET A 31 3.148 -10.935 1.600 1.00 43.25 C ATOM 466 O MET A 31 4.366 -10.760 1.534 1.00 73.43 O ATOM 467 CB MET A 31 2.394 -10.301 -0.718 1.00 52.41 C ATOM 468 CG MET A 31 1.719 -10.711 -2.021 1.00 43.13 C ATOM 469 SD MET A 31 2.509 -12.141 -2.790 1.00 64.20 S ATOM 470 CE MET A 31 4.134 -11.482 -3.158 1.00 12.15 C ATOM 0 H MET A 31 0.353 -10.905 0.793 1.00 12.23 H new ATOM 0 HA MET A 31 2.827 -12.294 -0.026 1.00 23.45 H new ATOM 0 HB2 MET A 31 1.909 -9.404 -0.333 1.00 52.41 H new ATOM 0 HB3 MET A 31 3.432 -10.039 -0.923 1.00 52.41 H new ATOM 0 HG2 MET A 31 0.671 -10.940 -1.827 1.00 43.13 H new ATOM 0 HG3 MET A 31 1.739 -9.872 -2.716 1.00 43.13 H new ATOM 0 HE1 MET A 31 4.622 -12.112 -3.902 1.00 12.15 H new ATOM 0 HE2 MET A 31 4.036 -10.469 -3.548 1.00 12.15 H new ATOM 0 HE3 MET A 31 4.734 -11.464 -2.248 1.00 12.15 H new ATOM 480 N LYS A 32 2.436 -10.744 2.716 1.00 53.05 N ATOM 481 CA LYS A 32 3.032 -10.361 4.009 1.00 11.31 C ATOM 482 C LYS A 32 3.646 -8.947 3.979 1.00 74.22 C ATOM 483 O LYS A 32 4.794 -8.758 3.576 1.00 65.20 O ATOM 484 CB LYS A 32 4.062 -11.412 4.459 1.00 21.11 C ATOM 485 CG LYS A 32 3.435 -12.784 4.707 1.00 23.25 C ATOM 486 CD LYS A 32 4.478 -13.858 5.002 1.00 0.35 C ATOM 487 CE LYS A 32 3.823 -15.214 5.259 1.00 3.11 C ATOM 488 NZ LYS A 32 4.818 -16.311 5.383 1.00 20.03 N ATOM 0 H LYS A 32 1.422 -10.851 2.752 1.00 53.05 H new ATOM 0 HA LYS A 32 2.226 -10.330 4.743 1.00 11.31 H new ATOM 0 HB2 LYS A 32 4.838 -11.504 3.699 1.00 21.11 H new ATOM 0 HB3 LYS A 32 4.549 -11.069 5.372 1.00 21.11 H new ATOM 0 HG2 LYS A 32 2.741 -12.717 5.544 1.00 23.25 H new ATOM 0 HG3 LYS A 32 2.853 -13.077 3.833 1.00 23.25 H new ATOM 0 HD2 LYS A 32 5.168 -13.939 4.162 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.067 -13.566 5.871 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.230 -15.160 6.172 1.00 3.11 H new ATOM 0 HE3 LYS A 32 3.135 -15.442 4.445 1.00 3.11 H new ATOM 0 HZ1 LYS A 32 4.324 -17.210 5.557 1.00 20.03 H new ATOM 0 HZ2 LYS A 32 5.368 -16.382 4.503 1.00 20.03 H new ATOM 0 HZ3 LYS A 32 5.460 -16.110 6.176 1.00 20.03 H new ATOM 502 N ILE A 33 2.849 -7.958 4.394 1.00 53.53 N ATOM 503 CA ILE A 33 3.277 -6.550 4.438 1.00 60.53 C ATOM 504 C ILE A 33 3.403 -6.055 5.899 1.00 74.52 C ATOM 505 O ILE A 33 2.447 -6.135 6.665 1.00 72.20 O ATOM 506 CB ILE A 33 2.271 -5.649 3.673 1.00 52.21 C ATOM 507 CG1 ILE A 33 2.130 -6.112 2.210 1.00 24.32 C ATOM 508 CG2 ILE A 33 2.688 -4.183 3.732 1.00 62.32 C ATOM 509 CD1 ILE A 33 3.431 -6.104 1.428 1.00 2.11 C ATOM 0 H ILE A 33 1.890 -8.107 4.709 1.00 53.53 H new ATOM 0 HA ILE A 33 4.254 -6.486 3.958 1.00 60.53 H new ATOM 0 HB ILE A 33 1.301 -5.743 4.161 1.00 52.21 H new ATOM 0 HG12 ILE A 33 1.718 -7.121 2.198 1.00 24.32 H new ATOM 0 HG13 ILE A 33 1.411 -5.468 1.704 1.00 24.32 H new ATOM 0 HG21 ILE A 33 1.964 -3.577 3.187 1.00 62.32 H new ATOM 0 HG22 ILE A 33 2.726 -3.857 4.771 1.00 62.32 H new ATOM 0 HG23 ILE A 33 3.673 -4.066 3.279 1.00 62.32 H new ATOM 0 HD11 ILE A 33 3.245 -6.443 0.409 1.00 2.11 H new ATOM 0 HD12 ILE A 33 3.836 -5.092 1.406 1.00 2.11 H new ATOM 0 HD13 ILE A 33 4.148 -6.771 1.907 1.00 2.11 H new ATOM 521 N PRO A 34 4.584 -5.526 6.296 1.00 41.35 N ATOM 522 CA PRO A 34 4.867 -5.144 7.701 1.00 14.52 C ATOM 523 C PRO A 34 4.095 -3.903 8.205 1.00 63.12 C ATOM 524 O PRO A 34 3.989 -3.684 9.414 1.00 21.43 O ATOM 525 CB PRO A 34 6.383 -4.848 7.697 1.00 32.22 C ATOM 526 CG PRO A 34 6.896 -5.352 6.385 1.00 55.22 C ATOM 527 CD PRO A 34 5.742 -5.268 5.427 1.00 24.32 C ATOM 0 HA PRO A 34 4.552 -5.940 8.375 1.00 14.52 H new ATOM 0 HB2 PRO A 34 6.573 -3.780 7.806 1.00 32.22 H new ATOM 0 HB3 PRO A 34 6.881 -5.347 8.529 1.00 32.22 H new ATOM 0 HG2 PRO A 34 7.736 -4.750 6.038 1.00 55.22 H new ATOM 0 HG3 PRO A 34 7.254 -6.377 6.475 1.00 55.22 H new ATOM 0 HD2 PRO A 34 5.681 -4.290 4.951 1.00 24.32 H new ATOM 0 HD3 PRO A 34 5.823 -6.007 4.629 1.00 24.32 H new ATOM 535 N PHE A 35 3.571 -3.094 7.288 1.00 50.21 N ATOM 536 CA PHE A 35 2.918 -1.826 7.654 1.00 34.24 C ATOM 537 C PHE A 35 1.419 -1.808 7.286 1.00 14.53 C ATOM 538 O PHE A 35 0.998 -2.441 6.318 1.00 71.43 O ATOM 539 CB PHE A 35 3.663 -0.641 7.009 1.00 0.31 C ATOM 540 CG PHE A 35 4.105 -0.878 5.582 1.00 33.02 C ATOM 541 CD1 PHE A 35 3.252 -0.624 4.518 1.00 65.14 C ATOM 542 CD2 PHE A 35 5.383 -1.348 5.309 1.00 42.55 C ATOM 543 CE1 PHE A 35 3.664 -0.836 3.215 1.00 65.01 C ATOM 544 CE2 PHE A 35 5.797 -1.561 4.009 1.00 13.02 C ATOM 545 CZ PHE A 35 4.937 -1.305 2.961 1.00 1.01 C ATOM 0 H PHE A 35 3.582 -3.287 6.287 1.00 50.21 H new ATOM 0 HA PHE A 35 2.971 -1.729 8.738 1.00 34.24 H new ATOM 0 HB2 PHE A 35 3.016 0.236 7.034 1.00 0.31 H new ATOM 0 HB3 PHE A 35 4.540 -0.407 7.613 1.00 0.31 H new ATOM 0 HD1 PHE A 35 2.255 -0.256 4.709 1.00 65.14 H new ATOM 0 HD2 PHE A 35 6.062 -1.550 6.124 1.00 42.55 H new ATOM 0 HE1 PHE A 35 2.989 -0.635 2.396 1.00 65.01 H new ATOM 0 HE2 PHE A 35 6.794 -1.928 3.813 1.00 13.02 H new ATOM 0 HZ PHE A 35 5.259 -1.471 1.944 1.00 1.01 H new ATOM 555 N PRO A 36 0.595 -1.071 8.071 1.00 1.12 N ATOM 556 CA PRO A 36 -0.876 -1.052 7.907 1.00 32.42 C ATOM 557 C PRO A 36 -1.351 -0.484 6.556 1.00 1.32 C ATOM 558 O PRO A 36 -0.805 0.499 6.043 1.00 44.41 O ATOM 559 CB PRO A 36 -1.354 -0.162 9.068 1.00 44.13 C ATOM 560 CG PRO A 36 -0.172 0.674 9.422 1.00 14.32 C ATOM 561 CD PRO A 36 1.029 -0.199 9.181 1.00 4.03 C ATOM 0 HA PRO A 36 -1.282 -2.064 7.920 1.00 32.42 H new ATOM 0 HB2 PRO A 36 -2.200 0.457 8.769 1.00 44.13 H new ATOM 0 HB3 PRO A 36 -1.682 -0.762 9.917 1.00 44.13 H new ATOM 0 HG2 PRO A 36 -0.131 1.574 8.809 1.00 14.32 H new ATOM 0 HG3 PRO A 36 -0.219 0.998 10.462 1.00 14.32 H new ATOM 0 HD2 PRO A 36 1.907 0.389 8.912 1.00 4.03 H new ATOM 0 HD3 PRO A 36 1.292 -0.776 10.068 1.00 4.03 H new ATOM 569 N THR A 37 -2.403 -1.098 6.010 1.00 10.34 N ATOM 570 CA THR A 37 -2.958 -0.720 4.700 1.00 33.14 C ATOM 571 C THR A 37 -3.463 0.729 4.672 1.00 54.05 C ATOM 572 O THR A 37 -3.253 1.452 3.695 1.00 72.30 O ATOM 573 CB THR A 37 -4.130 -1.648 4.303 1.00 3.34 C ATOM 574 OG1 THR A 37 -5.172 -1.574 5.292 1.00 21.22 O ATOM 575 CG2 THR A 37 -3.660 -3.094 4.169 1.00 20.33 C ATOM 0 H THR A 37 -2.896 -1.870 6.459 1.00 10.34 H new ATOM 0 HA THR A 37 -2.138 -0.821 3.989 1.00 33.14 H new ATOM 0 HB THR A 37 -4.514 -1.315 3.339 1.00 3.34 H new ATOM 0 HG1 THR A 37 -5.592 -2.454 5.391 1.00 21.22 H new ATOM 0 HG21 THR A 37 -4.503 -3.726 3.889 1.00 20.33 H new ATOM 0 HG22 THR A 37 -2.889 -3.156 3.401 1.00 20.33 H new ATOM 0 HG23 THR A 37 -3.252 -3.434 5.121 1.00 20.33 H new ATOM 583 N ASP A 38 -4.134 1.142 5.745 1.00 62.34 N ATOM 584 CA ASP A 38 -4.662 2.507 5.863 1.00 2.21 C ATOM 585 C ASP A 38 -3.565 3.567 5.654 1.00 75.03 C ATOM 586 O ASP A 38 -3.736 4.511 4.877 1.00 31.31 O ATOM 587 CB ASP A 38 -5.338 2.692 7.230 1.00 73.52 C ATOM 588 CG ASP A 38 -4.466 2.213 8.379 1.00 31.54 C ATOM 589 OD1 ASP A 38 -3.631 2.997 8.873 1.00 54.15 O ATOM 590 OD2 ASP A 38 -4.608 1.044 8.789 1.00 54.41 O ATOM 0 H ASP A 38 -4.328 0.549 6.552 1.00 62.34 H new ATOM 0 HA ASP A 38 -5.401 2.648 5.075 1.00 2.21 H new ATOM 0 HB2 ASP A 38 -5.577 3.746 7.374 1.00 73.52 H new ATOM 0 HB3 ASP A 38 -6.282 2.147 7.242 1.00 73.52 H new ATOM 595 N LYS A 39 -2.437 3.401 6.342 1.00 43.21 N ATOM 596 CA LYS A 39 -1.314 4.334 6.224 1.00 32.10 C ATOM 597 C LYS A 39 -0.802 4.423 4.777 1.00 14.42 C ATOM 598 O LYS A 39 -0.502 5.511 4.285 1.00 64.10 O ATOM 599 CB LYS A 39 -0.179 3.924 7.169 1.00 32.13 C ATOM 600 CG LYS A 39 1.039 4.835 7.089 1.00 33.45 C ATOM 601 CD LYS A 39 2.040 4.563 8.207 1.00 41.43 C ATOM 602 CE LYS A 39 1.453 4.885 9.577 1.00 21.44 C ATOM 603 NZ LYS A 39 2.459 4.756 10.660 1.00 1.32 N ATOM 0 H LYS A 39 -2.275 2.629 6.988 1.00 43.21 H new ATOM 0 HA LYS A 39 -1.672 5.323 6.509 1.00 32.10 H new ATOM 0 HB2 LYS A 39 -0.553 3.920 8.193 1.00 32.13 H new ATOM 0 HB3 LYS A 39 0.125 2.903 6.937 1.00 32.13 H new ATOM 0 HG2 LYS A 39 1.529 4.699 6.125 1.00 33.45 H new ATOM 0 HG3 LYS A 39 0.716 5.875 7.139 1.00 33.45 H new ATOM 0 HD2 LYS A 39 2.344 3.517 8.178 1.00 41.43 H new ATOM 0 HD3 LYS A 39 2.938 5.160 8.046 1.00 41.43 H new ATOM 0 HE2 LYS A 39 1.056 5.900 9.571 1.00 21.44 H new ATOM 0 HE3 LYS A 39 0.616 4.216 9.779 1.00 21.44 H new ATOM 0 HZ1 LYS A 39 2.017 4.984 11.573 1.00 1.32 H new ATOM 0 HZ2 LYS A 39 2.820 3.781 10.684 1.00 1.32 H new ATOM 0 HZ3 LYS A 39 3.246 5.413 10.483 1.00 1.32 H new ATOM 617 N ILE A 40 -0.728 3.276 4.098 1.00 52.52 N ATOM 618 CA ILE A 40 -0.318 3.226 2.685 1.00 24.04 C ATOM 619 C ILE A 40 -1.156 4.191 1.827 1.00 32.14 C ATOM 620 O ILE A 40 -0.646 4.861 0.926 1.00 12.55 O ATOM 621 CB ILE A 40 -0.476 1.792 2.110 1.00 41.24 C ATOM 622 CG1 ILE A 40 0.319 0.777 2.948 1.00 34.24 C ATOM 623 CG2 ILE A 40 -0.040 1.743 0.646 1.00 1.21 C ATOM 624 CD1 ILE A 40 0.137 -0.663 2.498 1.00 5.23 C ATOM 0 H ILE A 40 -0.946 2.365 4.502 1.00 52.52 H new ATOM 0 HA ILE A 40 0.730 3.524 2.648 1.00 24.04 H new ATOM 0 HB ILE A 40 -1.531 1.522 2.160 1.00 41.24 H new ATOM 0 HG12 ILE A 40 1.378 1.032 2.902 1.00 34.24 H new ATOM 0 HG13 ILE A 40 0.015 0.863 3.991 1.00 34.24 H new ATOM 0 HG21 ILE A 40 -0.159 0.729 0.265 1.00 1.21 H new ATOM 0 HG22 ILE A 40 -0.655 2.426 0.060 1.00 1.21 H new ATOM 0 HG23 ILE A 40 1.006 2.039 0.568 1.00 1.21 H new ATOM 0 HD11 ILE A 40 0.728 -1.321 3.135 1.00 5.23 H new ATOM 0 HD12 ILE A 40 -0.916 -0.937 2.571 1.00 5.23 H new ATOM 0 HD13 ILE A 40 0.468 -0.766 1.465 1.00 5.23 H new ATOM 636 N VAL A 41 -2.450 4.253 2.127 1.00 2.14 N ATOM 637 CA VAL A 41 -3.391 5.099 1.382 1.00 70.34 C ATOM 638 C VAL A 41 -3.235 6.592 1.731 1.00 35.45 C ATOM 639 O VAL A 41 -3.386 7.462 0.868 1.00 30.25 O ATOM 640 CB VAL A 41 -4.854 4.668 1.657 1.00 32.43 C ATOM 641 CG1 VAL A 41 -5.840 5.522 0.857 1.00 43.13 C ATOM 642 CG2 VAL A 41 -5.039 3.181 1.346 1.00 61.14 C ATOM 0 H VAL A 41 -2.878 3.724 2.887 1.00 2.14 H new ATOM 0 HA VAL A 41 -3.157 4.966 0.326 1.00 70.34 H new ATOM 0 HB VAL A 41 -5.063 4.827 2.715 1.00 32.43 H new ATOM 0 HG11 VAL A 41 -6.859 5.197 1.070 1.00 43.13 H new ATOM 0 HG12 VAL A 41 -5.727 6.569 1.139 1.00 43.13 H new ATOM 0 HG13 VAL A 41 -5.638 5.409 -0.208 1.00 43.13 H new ATOM 0 HG21 VAL A 41 -6.072 2.894 1.544 1.00 61.14 H new ATOM 0 HG22 VAL A 41 -4.806 2.997 0.297 1.00 61.14 H new ATOM 0 HG23 VAL A 41 -4.371 2.592 1.975 1.00 61.14 H new ATOM 652 N ASN A 42 -2.937 6.884 2.996 1.00 42.12 N ATOM 653 CA ASN A 42 -2.843 8.275 3.467 1.00 1.51 C ATOM 654 C ASN A 42 -1.478 8.923 3.160 1.00 3.02 C ATOM 655 O ASN A 42 -1.393 10.140 2.983 1.00 63.10 O ATOM 656 CB ASN A 42 -3.136 8.355 4.972 1.00 11.52 C ATOM 657 CG ASN A 42 -4.603 8.115 5.292 1.00 43.04 C ATOM 658 OD1 ASN A 42 -5.405 9.045 5.318 1.00 24.20 O ATOM 659 ND2 ASN A 42 -4.967 6.877 5.550 1.00 52.13 N ATOM 0 H ASN A 42 -2.756 6.183 3.715 1.00 42.12 H new ATOM 0 HA ASN A 42 -3.596 8.839 2.917 1.00 1.51 H new ATOM 0 HB2 ASN A 42 -2.528 7.619 5.497 1.00 11.52 H new ATOM 0 HB3 ASN A 42 -2.842 9.336 5.345 1.00 11.52 H new ATOM 0 HD21 ASN A 42 -5.939 6.668 5.780 1.00 52.13 H new ATOM 0 HD22 ASN A 42 -4.277 6.126 5.520 1.00 52.13 H new ATOM 666 N LEU A 43 -0.415 8.125 3.106 1.00 25.42 N ATOM 667 CA LEU A 43 0.930 8.660 2.841 1.00 12.34 C ATOM 668 C LEU A 43 1.061 9.200 1.406 1.00 72.41 C ATOM 669 O LEU A 43 0.546 8.605 0.456 1.00 34.11 O ATOM 670 CB LEU A 43 2.008 7.589 3.082 1.00 74.14 C ATOM 671 CG LEU A 43 2.226 7.177 4.547 1.00 31.43 C ATOM 672 CD1 LEU A 43 3.365 6.164 4.653 1.00 63.42 C ATOM 673 CD2 LEU A 43 2.503 8.401 5.420 1.00 43.42 C ATOM 0 H LEU A 43 -0.451 7.114 3.240 1.00 25.42 H new ATOM 0 HA LEU A 43 1.080 9.486 3.536 1.00 12.34 H new ATOM 0 HB2 LEU A 43 1.744 6.700 2.510 1.00 74.14 H new ATOM 0 HB3 LEU A 43 2.954 7.956 2.683 1.00 74.14 H new ATOM 0 HG LEU A 43 1.313 6.705 4.910 1.00 31.43 H new ATOM 0 HD11 LEU A 43 3.506 5.883 5.697 1.00 63.42 H new ATOM 0 HD12 LEU A 43 3.119 5.277 4.069 1.00 63.42 H new ATOM 0 HD13 LEU A 43 4.284 6.608 4.269 1.00 63.42 H new ATOM 0 HD21 LEU A 43 2.654 8.085 6.452 1.00 43.42 H new ATOM 0 HD22 LEU A 43 3.398 8.909 5.061 1.00 43.42 H new ATOM 0 HD23 LEU A 43 1.654 9.083 5.370 1.00 43.42 H new ATOM 685 N PRO A 44 1.750 10.347 1.234 1.00 2.30 N ATOM 686 CA PRO A 44 2.054 10.898 -0.094 1.00 75.13 C ATOM 687 C PRO A 44 3.227 10.164 -0.767 1.00 72.21 C ATOM 688 O PRO A 44 3.898 9.344 -0.138 1.00 1.34 O ATOM 689 CB PRO A 44 2.421 12.354 0.218 1.00 3.01 C ATOM 690 CG PRO A 44 3.016 12.300 1.585 1.00 22.31 C ATOM 691 CD PRO A 44 2.275 11.208 2.319 1.00 60.45 C ATOM 0 HA PRO A 44 1.224 10.796 -0.793 1.00 75.13 H new ATOM 0 HB2 PRO A 44 3.130 12.750 -0.509 1.00 3.01 H new ATOM 0 HB3 PRO A 44 1.543 13.000 0.192 1.00 3.01 H new ATOM 0 HG2 PRO A 44 4.083 12.083 1.538 1.00 22.31 H new ATOM 0 HG3 PRO A 44 2.907 13.257 2.096 1.00 22.31 H new ATOM 0 HD2 PRO A 44 2.936 10.654 2.985 1.00 60.45 H new ATOM 0 HD3 PRO A 44 1.471 11.613 2.933 1.00 60.45 H new ATOM 699 N VAL A 45 3.479 10.477 -2.038 1.00 4.40 N ATOM 700 CA VAL A 45 4.529 9.803 -2.817 1.00 13.21 C ATOM 701 C VAL A 45 5.889 9.806 -2.093 1.00 13.23 C ATOM 702 O VAL A 45 6.608 8.810 -2.102 1.00 5.44 O ATOM 703 CB VAL A 45 4.680 10.454 -4.218 1.00 15.54 C ATOM 704 CG1 VAL A 45 5.033 11.937 -4.102 1.00 31.21 C ATOM 705 CG2 VAL A 45 5.712 9.702 -5.060 1.00 70.33 C ATOM 0 H VAL A 45 2.971 11.195 -2.555 1.00 4.40 H new ATOM 0 HA VAL A 45 4.215 8.765 -2.931 1.00 13.21 H new ATOM 0 HB VAL A 45 3.719 10.384 -4.727 1.00 15.54 H new ATOM 0 HG11 VAL A 45 5.132 12.366 -5.099 1.00 31.21 H new ATOM 0 HG12 VAL A 45 4.244 12.458 -3.560 1.00 31.21 H new ATOM 0 HG13 VAL A 45 5.975 12.046 -3.565 1.00 31.21 H new ATOM 0 HG21 VAL A 45 5.800 10.177 -6.037 1.00 70.33 H new ATOM 0 HG22 VAL A 45 6.679 9.725 -4.557 1.00 70.33 H new ATOM 0 HG23 VAL A 45 5.394 8.667 -5.187 1.00 70.33 H new ATOM 715 N ASP A 46 6.215 10.920 -1.441 1.00 62.20 N ATOM 716 CA ASP A 46 7.497 11.077 -0.744 1.00 73.43 C ATOM 717 C ASP A 46 7.685 10.005 0.345 1.00 34.54 C ATOM 718 O ASP A 46 8.597 9.175 0.271 1.00 54.13 O ATOM 719 CB ASP A 46 7.565 12.473 -0.119 1.00 44.01 C ATOM 720 CG ASP A 46 7.123 13.550 -1.091 1.00 30.31 C ATOM 721 OD1 ASP A 46 5.900 13.770 -1.217 1.00 42.01 O ATOM 722 OD2 ASP A 46 7.989 14.173 -1.739 1.00 51.41 O ATOM 0 H ASP A 46 5.606 11.736 -1.379 1.00 62.20 H new ATOM 0 HA ASP A 46 8.300 10.954 -1.471 1.00 73.43 H new ATOM 0 HB2 ASP A 46 6.934 12.504 0.769 1.00 44.01 H new ATOM 0 HB3 ASP A 46 8.585 12.675 0.208 1.00 44.01 H new ATOM 727 N ASP A 47 6.809 10.023 1.348 1.00 31.23 N ATOM 728 CA ASP A 47 6.873 9.063 2.456 1.00 22.41 C ATOM 729 C ASP A 47 6.551 7.635 1.991 1.00 72.02 C ATOM 730 O ASP A 47 6.983 6.660 2.605 1.00 41.11 O ATOM 731 CB ASP A 47 5.911 9.495 3.564 1.00 32.20 C ATOM 732 CG ASP A 47 6.254 10.873 4.097 1.00 3.15 C ATOM 733 OD1 ASP A 47 7.085 10.968 5.026 1.00 12.42 O ATOM 734 OD2 ASP A 47 5.713 11.868 3.575 1.00 10.04 O ATOM 0 H ASP A 47 6.043 10.693 1.419 1.00 31.23 H new ATOM 0 HA ASP A 47 7.893 9.055 2.841 1.00 22.41 H new ATOM 0 HB2 ASP A 47 4.891 9.496 3.180 1.00 32.20 H new ATOM 0 HB3 ASP A 47 5.944 8.771 4.378 1.00 32.20 H new ATOM 739 N PHE A 48 5.791 7.523 0.905 1.00 21.21 N ATOM 740 CA PHE A 48 5.476 6.224 0.300 1.00 44.44 C ATOM 741 C PHE A 48 6.753 5.541 -0.220 1.00 13.30 C ATOM 742 O PHE A 48 7.022 4.377 0.088 1.00 25.33 O ATOM 743 CB PHE A 48 4.467 6.410 -0.843 1.00 61.01 C ATOM 744 CG PHE A 48 4.022 5.122 -1.493 1.00 73.10 C ATOM 745 CD1 PHE A 48 3.186 4.243 -0.820 1.00 63.22 C ATOM 746 CD2 PHE A 48 4.438 4.794 -2.777 1.00 23.23 C ATOM 747 CE1 PHE A 48 2.772 3.065 -1.415 1.00 41.43 C ATOM 748 CE2 PHE A 48 4.027 3.618 -3.374 1.00 73.23 C ATOM 749 CZ PHE A 48 3.193 2.753 -2.691 1.00 53.13 C ATOM 0 H PHE A 48 5.378 8.320 0.420 1.00 21.21 H new ATOM 0 HA PHE A 48 5.034 5.583 1.063 1.00 44.44 H new ATOM 0 HB2 PHE A 48 3.591 6.931 -0.457 1.00 61.01 H new ATOM 0 HB3 PHE A 48 4.911 7.053 -1.603 1.00 61.01 H new ATOM 0 HD1 PHE A 48 2.855 4.481 0.180 1.00 63.22 H new ATOM 0 HD2 PHE A 48 5.090 5.466 -3.315 1.00 23.23 H new ATOM 0 HE1 PHE A 48 2.120 2.390 -0.881 1.00 41.43 H new ATOM 0 HE2 PHE A 48 4.357 3.375 -4.373 1.00 73.23 H new ATOM 0 HZ PHE A 48 2.871 1.833 -3.156 1.00 53.13 H new ATOM 759 N ASN A 49 7.539 6.282 -1.004 1.00 54.23 N ATOM 760 CA ASN A 49 8.829 5.786 -1.502 1.00 61.33 C ATOM 761 C ASN A 49 9.766 5.429 -0.337 1.00 51.43 C ATOM 762 O ASN A 49 10.408 4.375 -0.340 1.00 31.22 O ATOM 763 CB ASN A 49 9.489 6.835 -2.402 1.00 22.20 C ATOM 764 CG ASN A 49 8.663 7.149 -3.636 1.00 23.11 C ATOM 765 OD1 ASN A 49 7.949 6.299 -4.158 1.00 3.52 O ATOM 766 ND2 ASN A 49 8.756 8.373 -4.115 1.00 13.52 N ATOM 0 H ASN A 49 7.307 7.227 -1.309 1.00 54.23 H new ATOM 0 HA ASN A 49 8.643 4.883 -2.084 1.00 61.33 H new ATOM 0 HB2 ASN A 49 9.646 7.751 -1.832 1.00 22.20 H new ATOM 0 HB3 ASN A 49 10.472 6.478 -2.709 1.00 22.20 H new ATOM 0 HD21 ASN A 49 8.225 8.638 -4.944 1.00 13.52 H new ATOM 0 HD22 ASN A 49 9.359 9.056 -3.656 1.00 13.52 H new ATOM 773 N GLU A 50 9.833 6.314 0.659 1.00 62.01 N ATOM 774 CA GLU A 50 10.610 6.056 1.878 1.00 10.12 C ATOM 775 C GLU A 50 10.142 4.770 2.578 1.00 51.33 C ATOM 776 O GLU A 50 10.954 3.935 2.974 1.00 20.52 O ATOM 777 CB GLU A 50 10.495 7.246 2.844 1.00 13.54 C ATOM 778 CG GLU A 50 11.183 8.517 2.354 1.00 31.02 C ATOM 779 CD GLU A 50 12.696 8.374 2.282 1.00 21.52 C ATOM 780 OE1 GLU A 50 13.332 8.225 3.345 1.00 31.50 O ATOM 781 OE2 GLU A 50 13.259 8.392 1.165 1.00 62.35 O ATOM 0 H GLU A 50 9.359 7.217 0.648 1.00 62.01 H new ATOM 0 HA GLU A 50 11.652 5.926 1.587 1.00 10.12 H new ATOM 0 HB2 GLU A 50 9.440 7.460 3.015 1.00 13.54 H new ATOM 0 HB3 GLU A 50 10.923 6.962 3.805 1.00 13.54 H new ATOM 0 HG2 GLU A 50 10.799 8.776 1.367 1.00 31.02 H new ATOM 0 HG3 GLU A 50 10.931 9.342 3.021 1.00 31.02 H new ATOM 788 N LEU A 51 8.827 4.616 2.711 1.00 74.15 N ATOM 789 CA LEU A 51 8.233 3.442 3.359 1.00 33.05 C ATOM 790 C LEU A 51 8.653 2.142 2.650 1.00 41.03 C ATOM 791 O LEU A 51 9.046 1.167 3.295 1.00 14.14 O ATOM 792 CB LEU A 51 6.704 3.577 3.370 1.00 64.13 C ATOM 793 CG LEU A 51 5.942 2.461 4.099 1.00 51.54 C ATOM 794 CD1 LEU A 51 6.330 2.415 5.574 1.00 63.41 C ATOM 795 CD2 LEU A 51 4.436 2.655 3.940 1.00 73.11 C ATOM 0 H LEU A 51 8.144 5.295 2.376 1.00 74.15 H new ATOM 0 HA LEU A 51 8.598 3.392 4.385 1.00 33.05 H new ATOM 0 HB2 LEU A 51 6.445 4.530 3.832 1.00 64.13 H new ATOM 0 HB3 LEU A 51 6.354 3.617 2.339 1.00 64.13 H new ATOM 0 HG LEU A 51 6.215 1.506 3.650 1.00 51.54 H new ATOM 0 HD11 LEU A 51 5.778 1.617 6.071 1.00 63.41 H new ATOM 0 HD12 LEU A 51 7.400 2.226 5.663 1.00 63.41 H new ATOM 0 HD13 LEU A 51 6.090 3.369 6.043 1.00 63.41 H new ATOM 0 HD21 LEU A 51 3.909 1.856 4.462 1.00 73.11 H new ATOM 0 HD22 LEU A 51 4.147 3.617 4.362 1.00 73.11 H new ATOM 0 HD23 LEU A 51 4.176 2.630 2.882 1.00 73.11 H new ATOM 807 N LEU A 52 8.580 2.142 1.318 1.00 51.00 N ATOM 808 CA LEU A 52 9.021 0.991 0.516 1.00 64.01 C ATOM 809 C LEU A 52 10.539 0.774 0.627 1.00 52.12 C ATOM 810 O LEU A 52 11.021 -0.353 0.529 1.00 1.52 O ATOM 811 CB LEU A 52 8.627 1.181 -0.958 1.00 25.41 C ATOM 812 CG LEU A 52 7.115 1.215 -1.237 1.00 1.02 C ATOM 813 CD1 LEU A 52 6.847 1.404 -2.729 1.00 3.43 C ATOM 814 CD2 LEU A 52 6.441 -0.056 -0.720 1.00 52.43 C ATOM 0 H LEU A 52 8.221 2.923 0.769 1.00 51.00 H new ATOM 0 HA LEU A 52 8.522 0.106 0.911 1.00 64.01 H new ATOM 0 HB2 LEU A 52 9.067 2.112 -1.317 1.00 25.41 H new ATOM 0 HB3 LEU A 52 9.069 0.374 -1.542 1.00 25.41 H new ATOM 0 HG LEU A 52 6.688 2.065 -0.705 1.00 1.02 H new ATOM 0 HD11 LEU A 52 5.772 1.425 -2.906 1.00 3.43 H new ATOM 0 HD12 LEU A 52 7.288 2.344 -3.062 1.00 3.43 H new ATOM 0 HD13 LEU A 52 7.290 0.578 -3.286 1.00 3.43 H new ATOM 0 HD21 LEU A 52 5.372 -0.011 -0.928 1.00 52.43 H new ATOM 0 HD22 LEU A 52 6.871 -0.925 -1.218 1.00 52.43 H new ATOM 0 HD23 LEU A 52 6.599 -0.140 0.355 1.00 52.43 H new ATOM 826 N ALA A 53 11.285 1.858 0.824 1.00 75.44 N ATOM 827 CA ALA A 53 12.744 1.786 0.976 1.00 23.23 C ATOM 828 C ALA A 53 13.152 1.248 2.360 1.00 45.21 C ATOM 829 O ALA A 53 14.208 0.633 2.513 1.00 74.10 O ATOM 830 CB ALA A 53 13.359 3.161 0.738 1.00 14.50 C ATOM 0 H ALA A 53 10.905 2.803 0.883 1.00 75.44 H new ATOM 0 HA ALA A 53 13.123 1.086 0.232 1.00 23.23 H new ATOM 0 HB1 ALA A 53 14.441 3.100 0.852 1.00 14.50 H new ATOM 0 HB2 ALA A 53 13.119 3.497 -0.271 1.00 14.50 H new ATOM 0 HB3 ALA A 53 12.957 3.870 1.462 1.00 14.50 H new ATOM 836 N ARG A 54 12.305 1.478 3.361 1.00 23.01 N ATOM 837 CA ARG A 54 12.583 1.057 4.743 1.00 64.01 C ATOM 838 C ARG A 54 12.706 -0.472 4.889 1.00 4.40 C ATOM 839 O ARG A 54 13.657 -0.976 5.491 1.00 14.40 O ATOM 840 CB ARG A 54 11.471 1.561 5.675 1.00 4.45 C ATOM 841 CG ARG A 54 11.460 3.073 5.881 1.00 14.23 C ATOM 842 CD ARG A 54 10.251 3.520 6.699 1.00 74.51 C ATOM 843 NE ARG A 54 10.155 2.814 7.978 1.00 63.11 N ATOM 844 CZ ARG A 54 9.335 3.148 8.937 1.00 10.35 C ATOM 845 NH1 ARG A 54 8.545 4.167 8.806 1.00 52.34 N ATOM 846 NH2 ARG A 54 9.312 2.460 10.030 1.00 61.03 N ATOM 0 H ARG A 54 11.412 1.957 3.245 1.00 23.01 H new ATOM 0 HA ARG A 54 13.544 1.493 5.017 1.00 64.01 H new ATOM 0 HB2 ARG A 54 10.507 1.255 5.269 1.00 4.45 H new ATOM 0 HB3 ARG A 54 11.578 1.075 6.645 1.00 4.45 H new ATOM 0 HG2 ARG A 54 12.376 3.378 6.387 1.00 14.23 H new ATOM 0 HG3 ARG A 54 11.450 3.573 4.912 1.00 14.23 H new ATOM 0 HD2 ARG A 54 10.315 4.593 6.882 1.00 74.51 H new ATOM 0 HD3 ARG A 54 9.342 3.349 6.123 1.00 74.51 H new ATOM 0 HE ARG A 54 10.767 2.012 8.129 1.00 63.11 H new ATOM 0 HH11 ARG A 54 8.560 4.717 7.947 1.00 52.34 H new ATOM 0 HH12 ARG A 54 7.908 4.419 9.562 1.00 52.34 H new ATOM 0 HH21 ARG A 54 9.933 1.659 10.141 1.00 61.03 H new ATOM 0 HH22 ARG A 54 8.673 2.718 10.782 1.00 61.03 H new ATOM 860 N TYR A 55 11.736 -1.200 4.346 1.00 75.40 N ATOM 861 CA TYR A 55 11.652 -2.655 4.546 1.00 31.34 C ATOM 862 C TYR A 55 12.144 -3.442 3.317 1.00 34.42 C ATOM 863 O TYR A 55 11.934 -3.024 2.177 1.00 61.01 O ATOM 864 CB TYR A 55 10.206 -3.047 4.881 1.00 21.33 C ATOM 865 CG TYR A 55 9.673 -2.352 6.122 1.00 0.51 C ATOM 866 CD1 TYR A 55 9.906 -2.879 7.389 1.00 72.10 C ATOM 867 CD2 TYR A 55 8.951 -1.166 6.029 1.00 62.34 C ATOM 868 CE1 TYR A 55 9.438 -2.243 8.522 1.00 34.31 C ATOM 869 CE2 TYR A 55 8.477 -0.527 7.159 1.00 21.35 C ATOM 870 CZ TYR A 55 8.723 -1.067 8.403 1.00 2.23 C ATOM 871 OH TYR A 55 8.257 -0.429 9.531 1.00 51.53 O ATOM 0 H TYR A 55 10.994 -0.813 3.763 1.00 75.40 H new ATOM 0 HA TYR A 55 12.308 -2.914 5.377 1.00 31.34 H new ATOM 0 HB2 TYR A 55 9.565 -2.806 4.033 1.00 21.33 H new ATOM 0 HB3 TYR A 55 10.152 -4.126 5.025 1.00 21.33 H new ATOM 0 HD1 TYR A 55 10.462 -3.800 7.488 1.00 72.10 H new ATOM 0 HD2 TYR A 55 8.758 -0.737 5.057 1.00 62.34 H new ATOM 0 HE1 TYR A 55 9.630 -2.664 9.498 1.00 34.31 H new ATOM 0 HE2 TYR A 55 7.916 0.391 7.068 1.00 21.35 H new ATOM 0 HH TYR A 55 7.776 0.384 9.272 1.00 51.53 H new ATOM 881 N PRO A 56 12.812 -4.597 3.537 1.00 52.40 N ATOM 882 CA PRO A 56 13.304 -5.466 2.448 1.00 41.30 C ATOM 883 C PRO A 56 12.173 -6.243 1.741 1.00 25.24 C ATOM 884 O PRO A 56 12.142 -7.477 1.753 1.00 42.42 O ATOM 885 CB PRO A 56 14.269 -6.441 3.163 1.00 42.31 C ATOM 886 CG PRO A 56 14.419 -5.920 4.560 1.00 34.44 C ATOM 887 CD PRO A 56 13.165 -5.148 4.855 1.00 41.12 C ATOM 0 HA PRO A 56 13.776 -4.884 1.657 1.00 41.30 H new ATOM 0 HB2 PRO A 56 13.869 -7.455 3.165 1.00 42.31 H new ATOM 0 HB3 PRO A 56 15.233 -6.480 2.655 1.00 42.31 H new ATOM 0 HG2 PRO A 56 14.549 -6.738 5.269 1.00 34.44 H new ATOM 0 HG3 PRO A 56 15.298 -5.282 4.645 1.00 34.44 H new ATOM 0 HD2 PRO A 56 12.377 -5.789 5.251 1.00 41.12 H new ATOM 0 HD3 PRO A 56 13.336 -4.362 5.591 1.00 41.12 H new ATOM 895 N LEU A 57 11.245 -5.514 1.124 1.00 24.41 N ATOM 896 CA LEU A 57 10.130 -6.131 0.402 1.00 1.53 C ATOM 897 C LEU A 57 10.557 -6.575 -1.001 1.00 21.45 C ATOM 898 O LEU A 57 11.276 -5.860 -1.700 1.00 31.43 O ATOM 899 CB LEU A 57 8.951 -5.147 0.298 1.00 62.23 C ATOM 900 CG LEU A 57 8.386 -4.654 1.638 1.00 43.02 C ATOM 901 CD1 LEU A 57 7.257 -3.655 1.407 1.00 22.43 C ATOM 902 CD2 LEU A 57 7.902 -5.829 2.484 1.00 11.05 C ATOM 0 H LEU A 57 11.242 -4.494 1.109 1.00 24.41 H new ATOM 0 HA LEU A 57 9.817 -7.012 0.962 1.00 1.53 H new ATOM 0 HB2 LEU A 57 9.272 -4.282 -0.282 1.00 62.23 H new ATOM 0 HB3 LEU A 57 8.148 -5.626 -0.262 1.00 62.23 H new ATOM 0 HG LEU A 57 9.184 -4.149 2.182 1.00 43.02 H new ATOM 0 HD11 LEU A 57 6.869 -3.316 2.368 1.00 22.43 H new ATOM 0 HD12 LEU A 57 7.636 -2.800 0.847 1.00 22.43 H new ATOM 0 HD13 LEU A 57 6.458 -4.134 0.841 1.00 22.43 H new ATOM 0 HD21 LEU A 57 7.506 -5.458 3.429 1.00 11.05 H new ATOM 0 HD22 LEU A 57 7.119 -6.365 1.948 1.00 11.05 H new ATOM 0 HD23 LEU A 57 8.735 -6.504 2.680 1.00 11.05 H new ATOM 914 N THR A 58 10.123 -7.766 -1.404 1.00 22.11 N ATOM 915 CA THR A 58 10.376 -8.251 -2.765 1.00 4.10 C ATOM 916 C THR A 58 9.578 -7.435 -3.791 1.00 53.14 C ATOM 917 O THR A 58 8.517 -6.895 -3.473 1.00 31.42 O ATOM 918 CB THR A 58 10.023 -9.752 -2.923 1.00 64.20 C ATOM 919 OG1 THR A 58 8.627 -9.974 -2.669 1.00 63.41 O ATOM 920 CG2 THR A 58 10.850 -10.618 -1.978 1.00 51.21 C ATOM 0 H THR A 58 9.598 -8.412 -0.815 1.00 22.11 H new ATOM 0 HA THR A 58 11.444 -8.128 -2.948 1.00 4.10 H new ATOM 0 HB THR A 58 10.254 -10.033 -3.950 1.00 64.20 H new ATOM 0 HG1 THR A 58 8.441 -9.834 -1.717 1.00 63.41 H new ATOM 0 HG21 THR A 58 10.579 -11.665 -2.113 1.00 51.21 H new ATOM 0 HG22 THR A 58 11.910 -10.486 -2.197 1.00 51.21 H new ATOM 0 HG23 THR A 58 10.653 -10.322 -0.947 1.00 51.21 H new ATOM 928 N GLU A 59 10.089 -7.360 -5.018 1.00 25.45 N ATOM 929 CA GLU A 59 9.514 -6.500 -6.068 1.00 31.53 C ATOM 930 C GLU A 59 7.989 -6.676 -6.210 1.00 75.02 C ATOM 931 O GLU A 59 7.255 -5.700 -6.389 1.00 43.34 O ATOM 932 CB GLU A 59 10.216 -6.782 -7.405 1.00 4.14 C ATOM 933 CG GLU A 59 11.709 -6.465 -7.379 1.00 0.40 C ATOM 934 CD GLU A 59 12.428 -6.883 -8.651 1.00 40.53 C ATOM 935 OE1 GLU A 59 12.119 -6.329 -9.725 1.00 15.23 O ATOM 936 OE2 GLU A 59 13.298 -7.779 -8.590 1.00 21.32 O ATOM 0 H GLU A 59 10.909 -7.888 -5.318 1.00 25.45 H new ATOM 0 HA GLU A 59 9.681 -5.464 -5.774 1.00 31.53 H new ATOM 0 HB2 GLU A 59 10.078 -7.831 -7.666 1.00 4.14 H new ATOM 0 HB3 GLU A 59 9.740 -6.193 -8.189 1.00 4.14 H new ATOM 0 HG2 GLU A 59 11.845 -5.394 -7.227 1.00 0.40 H new ATOM 0 HG3 GLU A 59 12.167 -6.968 -6.527 1.00 0.40 H new ATOM 943 N SER A 60 7.518 -7.919 -6.103 1.00 41.04 N ATOM 944 CA SER A 60 6.077 -8.217 -6.197 1.00 30.44 C ATOM 945 C SER A 60 5.289 -7.589 -5.034 1.00 1.20 C ATOM 946 O SER A 60 4.133 -7.187 -5.192 1.00 1.21 O ATOM 947 CB SER A 60 5.839 -9.736 -6.222 1.00 54.02 C ATOM 948 OG SER A 60 4.456 -10.038 -6.357 1.00 60.34 O ATOM 0 H SER A 60 8.107 -8.738 -5.951 1.00 41.04 H new ATOM 0 HA SER A 60 5.717 -7.779 -7.128 1.00 30.44 H new ATOM 0 HB2 SER A 60 6.393 -10.180 -7.049 1.00 54.02 H new ATOM 0 HB3 SER A 60 6.223 -10.182 -5.305 1.00 54.02 H new ATOM 0 HG SER A 60 4.333 -11.010 -6.372 1.00 60.34 H new ATOM 954 N GLN A 61 5.922 -7.495 -3.864 1.00 12.44 N ATOM 955 CA GLN A 61 5.285 -6.893 -2.686 1.00 50.10 C ATOM 956 C GLN A 61 5.095 -5.378 -2.863 1.00 40.10 C ATOM 957 O GLN A 61 4.040 -4.842 -2.530 1.00 11.25 O ATOM 958 CB GLN A 61 6.101 -7.183 -1.417 1.00 32.22 C ATOM 959 CG GLN A 61 6.109 -8.653 -1.018 1.00 52.15 C ATOM 960 CD GLN A 61 6.976 -8.926 0.199 1.00 50.13 C ATOM 961 OE1 GLN A 61 8.164 -9.201 0.077 1.00 21.11 O ATOM 962 NE2 GLN A 61 6.394 -8.870 1.379 1.00 52.42 N ATOM 0 H GLN A 61 6.873 -7.826 -3.704 1.00 12.44 H new ATOM 0 HA GLN A 61 4.299 -7.346 -2.579 1.00 50.10 H new ATOM 0 HB2 GLN A 61 7.128 -6.852 -1.572 1.00 32.22 H new ATOM 0 HB3 GLN A 61 5.697 -6.594 -0.593 1.00 32.22 H new ATOM 0 HG2 GLN A 61 5.088 -8.975 -0.811 1.00 52.15 H new ATOM 0 HG3 GLN A 61 6.468 -9.251 -1.856 1.00 52.15 H new ATOM 0 HE21 GLN A 61 5.403 -8.638 1.448 1.00 52.42 H new ATOM 0 HE22 GLN A 61 6.934 -9.058 2.224 1.00 52.42 H new ATOM 971 N LEU A 62 6.112 -4.693 -3.397 1.00 70.44 N ATOM 972 CA LEU A 62 5.995 -3.253 -3.681 1.00 35.22 C ATOM 973 C LEU A 62 4.837 -2.986 -4.654 1.00 72.22 C ATOM 974 O LEU A 62 4.087 -2.022 -4.497 1.00 5.22 O ATOM 975 CB LEU A 62 7.299 -2.672 -4.262 1.00 1.44 C ATOM 976 CG LEU A 62 8.493 -2.575 -3.290 1.00 12.21 C ATOM 977 CD1 LEU A 62 9.115 -3.943 -3.044 1.00 2.01 C ATOM 978 CD2 LEU A 62 9.536 -1.585 -3.813 1.00 62.40 C ATOM 0 H LEU A 62 7.014 -5.102 -3.639 1.00 70.44 H new ATOM 0 HA LEU A 62 5.796 -2.757 -2.731 1.00 35.22 H new ATOM 0 HB2 LEU A 62 7.598 -3.285 -5.112 1.00 1.44 H new ATOM 0 HB3 LEU A 62 7.088 -1.674 -4.647 1.00 1.44 H new ATOM 0 HG LEU A 62 8.120 -2.205 -2.335 1.00 12.21 H new ATOM 0 HD11 LEU A 62 9.954 -3.843 -2.355 1.00 2.01 H new ATOM 0 HD12 LEU A 62 8.369 -4.610 -2.612 1.00 2.01 H new ATOM 0 HD13 LEU A 62 9.468 -4.357 -3.988 1.00 2.01 H new ATOM 0 HD21 LEU A 62 10.370 -1.531 -3.113 1.00 62.40 H new ATOM 0 HD22 LEU A 62 9.899 -1.919 -4.785 1.00 62.40 H new ATOM 0 HD23 LEU A 62 9.083 -0.599 -3.914 1.00 62.40 H new ATOM 990 N ALA A 63 4.703 -3.853 -5.657 1.00 22.14 N ATOM 991 CA ALA A 63 3.578 -3.793 -6.594 1.00 1.42 C ATOM 992 C ALA A 63 2.235 -3.889 -5.852 1.00 21.33 C ATOM 993 O ALA A 63 1.306 -3.127 -6.122 1.00 54.15 O ATOM 994 CB ALA A 63 3.698 -4.907 -7.629 1.00 64.23 C ATOM 0 H ALA A 63 5.362 -4.609 -5.843 1.00 22.14 H new ATOM 0 HA ALA A 63 3.609 -2.831 -7.106 1.00 1.42 H new ATOM 0 HB1 ALA A 63 2.857 -4.853 -8.320 1.00 64.23 H new ATOM 0 HB2 ALA A 63 4.630 -4.791 -8.182 1.00 64.23 H new ATOM 0 HB3 ALA A 63 3.693 -5.874 -7.125 1.00 64.23 H new ATOM 1000 N LEU A 64 2.149 -4.821 -4.900 1.00 11.11 N ATOM 1001 CA LEU A 64 0.941 -4.982 -4.083 1.00 33.42 C ATOM 1002 C LEU A 64 0.656 -3.718 -3.252 1.00 64.31 C ATOM 1003 O LEU A 64 -0.475 -3.240 -3.209 1.00 4.35 O ATOM 1004 CB LEU A 64 1.078 -6.191 -3.151 1.00 31.53 C ATOM 1005 CG LEU A 64 -0.128 -6.442 -2.230 1.00 35.11 C ATOM 1006 CD1 LEU A 64 -1.361 -6.827 -3.041 1.00 12.11 C ATOM 1007 CD2 LEU A 64 0.198 -7.512 -1.194 1.00 42.24 C ATOM 0 H LEU A 64 2.899 -5.475 -4.675 1.00 11.11 H new ATOM 0 HA LEU A 64 0.105 -5.145 -4.763 1.00 33.42 H new ATOM 0 HB2 LEU A 64 1.244 -7.081 -3.758 1.00 31.53 H new ATOM 0 HB3 LEU A 64 1.966 -6.056 -2.533 1.00 31.53 H new ATOM 0 HG LEU A 64 -0.350 -5.515 -1.701 1.00 35.11 H new ATOM 0 HD11 LEU A 64 -2.200 -6.999 -2.367 1.00 12.11 H new ATOM 0 HD12 LEU A 64 -1.609 -6.020 -3.731 1.00 12.11 H new ATOM 0 HD13 LEU A 64 -1.156 -7.737 -3.605 1.00 12.11 H new ATOM 0 HD21 LEU A 64 -0.669 -7.674 -0.553 1.00 42.24 H new ATOM 0 HD22 LEU A 64 0.454 -8.443 -1.700 1.00 42.24 H new ATOM 0 HD23 LEU A 64 1.042 -7.185 -0.587 1.00 42.24 H new ATOM 1019 N VAL A 65 1.687 -3.183 -2.599 1.00 23.51 N ATOM 1020 CA VAL A 65 1.546 -1.968 -1.781 1.00 54.32 C ATOM 1021 C VAL A 65 0.992 -0.799 -2.616 1.00 31.05 C ATOM 1022 O VAL A 65 0.125 -0.047 -2.160 1.00 45.13 O ATOM 1023 CB VAL A 65 2.902 -1.557 -1.143 1.00 61.40 C ATOM 1024 CG1 VAL A 65 2.754 -0.285 -0.306 1.00 45.41 C ATOM 1025 CG2 VAL A 65 3.464 -2.701 -0.295 1.00 4.11 C ATOM 0 H VAL A 65 2.631 -3.568 -2.617 1.00 23.51 H new ATOM 0 HA VAL A 65 0.840 -2.198 -0.983 1.00 54.32 H new ATOM 0 HB VAL A 65 3.605 -1.347 -1.949 1.00 61.40 H new ATOM 0 HG11 VAL A 65 3.718 -0.021 0.128 1.00 45.41 H new ATOM 0 HG12 VAL A 65 2.407 0.530 -0.941 1.00 45.41 H new ATOM 0 HG13 VAL A 65 2.031 -0.457 0.492 1.00 45.41 H new ATOM 0 HG21 VAL A 65 4.414 -2.396 0.144 1.00 4.11 H new ATOM 0 HG22 VAL A 65 2.759 -2.945 0.499 1.00 4.11 H new ATOM 0 HG23 VAL A 65 3.620 -3.577 -0.924 1.00 4.11 H new ATOM 1035 N ARG A 66 1.487 -0.667 -3.847 1.00 43.12 N ATOM 1036 CA ARG A 66 0.986 0.347 -4.782 1.00 72.23 C ATOM 1037 C ARG A 66 -0.487 0.082 -5.146 1.00 13.34 C ATOM 1038 O ARG A 66 -1.296 1.011 -5.235 1.00 15.55 O ATOM 1039 CB ARG A 66 1.849 0.367 -6.051 1.00 72.11 C ATOM 1040 CG ARG A 66 3.301 0.767 -5.796 1.00 72.23 C ATOM 1041 CD ARG A 66 4.164 0.627 -7.044 1.00 32.24 C ATOM 1042 NE ARG A 66 5.552 1.012 -6.789 1.00 41.24 N ATOM 1043 CZ ARG A 66 6.579 0.239 -7.011 1.00 23.25 C ATOM 1044 NH1 ARG A 66 6.409 -0.950 -7.492 1.00 31.22 N ATOM 1045 NH2 ARG A 66 7.775 0.660 -6.762 1.00 22.45 N ATOM 0 H ARG A 66 2.236 -1.249 -4.222 1.00 43.12 H new ATOM 0 HA ARG A 66 1.046 1.320 -4.294 1.00 72.23 H new ATOM 0 HB2 ARG A 66 1.828 -0.621 -6.510 1.00 72.11 H new ATOM 0 HB3 ARG A 66 1.410 1.061 -6.768 1.00 72.11 H new ATOM 0 HG2 ARG A 66 3.336 1.799 -5.446 1.00 72.23 H new ATOM 0 HG3 ARG A 66 3.713 0.146 -5.000 1.00 72.23 H new ATOM 0 HD2 ARG A 66 4.131 -0.404 -7.395 1.00 32.24 H new ATOM 0 HD3 ARG A 66 3.755 1.248 -7.841 1.00 32.24 H new ATOM 0 HE ARG A 66 5.728 1.944 -6.414 1.00 41.24 H new ATOM 0 HH11 ARG A 66 5.469 -1.287 -7.699 1.00 31.22 H new ATOM 0 HH12 ARG A 66 7.215 -1.551 -7.664 1.00 31.22 H new ATOM 0 HH21 ARG A 66 7.918 1.599 -6.391 1.00 22.45 H new ATOM 0 HH22 ARG A 66 8.576 0.053 -6.937 1.00 22.45 H new ATOM 1059 N ASP A 67 -0.825 -1.194 -5.347 1.00 73.32 N ATOM 1060 CA ASP A 67 -2.204 -1.601 -5.632 1.00 74.52 C ATOM 1061 C ASP A 67 -3.135 -1.252 -4.458 1.00 41.43 C ATOM 1062 O ASP A 67 -4.224 -0.718 -4.657 1.00 35.52 O ATOM 1063 CB ASP A 67 -2.258 -3.107 -5.933 1.00 71.23 C ATOM 1064 CG ASP A 67 -3.638 -3.570 -6.371 1.00 62.52 C ATOM 1065 OD1 ASP A 67 -4.033 -3.262 -7.517 1.00 22.12 O ATOM 1066 OD2 ASP A 67 -4.334 -4.236 -5.576 1.00 34.42 O ATOM 0 H ASP A 67 -0.160 -1.967 -5.318 1.00 73.32 H new ATOM 0 HA ASP A 67 -2.550 -1.054 -6.509 1.00 74.52 H new ATOM 0 HB2 ASP A 67 -1.535 -3.343 -6.714 1.00 71.23 H new ATOM 0 HB3 ASP A 67 -1.959 -3.662 -5.044 1.00 71.23 H new ATOM 1071 N ILE A 68 -2.689 -1.542 -3.234 1.00 1.12 N ATOM 1072 CA ILE A 68 -3.449 -1.202 -2.025 1.00 44.21 C ATOM 1073 C ILE A 68 -3.678 0.316 -1.921 1.00 54.03 C ATOM 1074 O ILE A 68 -4.789 0.771 -1.626 1.00 31.03 O ATOM 1075 CB ILE A 68 -2.727 -1.705 -0.746 1.00 54.44 C ATOM 1076 CG1 ILE A 68 -2.581 -3.236 -0.775 1.00 13.10 C ATOM 1077 CG2 ILE A 68 -3.475 -1.259 0.512 1.00 60.31 C ATOM 1078 CD1 ILE A 68 -1.813 -3.804 0.403 1.00 4.13 C ATOM 0 H ILE A 68 -1.803 -2.013 -3.052 1.00 1.12 H new ATOM 0 HA ILE A 68 -4.415 -1.701 -2.104 1.00 44.21 H new ATOM 0 HB ILE A 68 -1.730 -1.264 -0.722 1.00 54.44 H new ATOM 0 HG12 ILE A 68 -3.574 -3.685 -0.799 1.00 13.10 H new ATOM 0 HG13 ILE A 68 -2.078 -3.525 -1.698 1.00 13.10 H new ATOM 0 HG21 ILE A 68 -2.951 -1.623 1.395 1.00 60.31 H new ATOM 0 HG22 ILE A 68 -3.522 -0.170 0.541 1.00 60.31 H new ATOM 0 HG23 ILE A 68 -4.486 -1.665 0.497 1.00 60.31 H new ATOM 0 HD11 ILE A 68 -1.753 -4.888 0.310 1.00 4.13 H new ATOM 0 HD12 ILE A 68 -0.807 -3.385 0.417 1.00 4.13 H new ATOM 0 HD13 ILE A 68 -2.326 -3.547 1.330 1.00 4.13 H new ATOM 1090 N ARG A 69 -2.624 1.097 -2.175 1.00 74.33 N ATOM 1091 CA ARG A 69 -2.730 2.559 -2.181 1.00 63.11 C ATOM 1092 C ARG A 69 -3.761 3.020 -3.222 1.00 74.12 C ATOM 1093 O ARG A 69 -4.544 3.940 -2.976 1.00 52.21 O ATOM 1094 CB ARG A 69 -1.365 3.202 -2.474 1.00 41.45 C ATOM 1095 CG ARG A 69 -1.354 4.716 -2.296 1.00 61.32 C ATOM 1096 CD ARG A 69 0.011 5.326 -2.609 1.00 72.21 C ATOM 1097 NE ARG A 69 0.019 6.771 -2.383 1.00 74.32 N ATOM 1098 CZ ARG A 69 0.689 7.633 -3.102 1.00 63.25 C ATOM 1099 NH1 ARG A 69 1.456 7.237 -4.068 1.00 43.52 N ATOM 1100 NH2 ARG A 69 0.596 8.896 -2.841 1.00 40.14 N ATOM 0 H ARG A 69 -1.690 0.742 -2.379 1.00 74.33 H new ATOM 0 HA ARG A 69 -3.061 2.878 -1.193 1.00 63.11 H new ATOM 0 HB2 ARG A 69 -0.616 2.762 -1.816 1.00 41.45 H new ATOM 0 HB3 ARG A 69 -1.071 2.962 -3.496 1.00 41.45 H new ATOM 0 HG2 ARG A 69 -2.107 5.162 -2.947 1.00 61.32 H new ATOM 0 HG3 ARG A 69 -1.633 4.961 -1.271 1.00 61.32 H new ATOM 0 HD2 ARG A 69 0.772 4.855 -1.986 1.00 72.21 H new ATOM 0 HD3 ARG A 69 0.274 5.118 -3.646 1.00 72.21 H new ATOM 0 HE ARG A 69 -0.538 7.132 -1.609 1.00 74.32 H new ATOM 0 HH11 ARG A 69 1.543 6.242 -4.275 1.00 43.52 H new ATOM 0 HH12 ARG A 69 1.973 7.920 -4.621 1.00 43.52 H new ATOM 0 HH21 ARG A 69 0.002 9.216 -2.077 1.00 40.14 H new ATOM 0 HH22 ARG A 69 1.117 9.572 -3.400 1.00 40.14 H new ATOM 1114 N ARG A 70 -3.754 2.366 -4.384 1.00 54.42 N ATOM 1115 CA ARG A 70 -4.750 2.618 -5.432 1.00 61.43 C ATOM 1116 C ARG A 70 -6.167 2.265 -4.949 1.00 71.32 C ATOM 1117 O ARG A 70 -7.098 3.050 -5.111 1.00 45.23 O ATOM 1118 CB ARG A 70 -4.410 1.809 -6.700 1.00 44.23 C ATOM 1119 CG ARG A 70 -5.520 1.794 -7.756 1.00 11.13 C ATOM 1120 CD ARG A 70 -5.848 3.192 -8.271 1.00 53.34 C ATOM 1121 NE ARG A 70 -7.042 3.202 -9.115 1.00 12.03 N ATOM 1122 CZ ARG A 70 -7.521 4.270 -9.695 1.00 44.35 C ATOM 1123 NH1 ARG A 70 -6.908 5.408 -9.590 1.00 22.22 N ATOM 1124 NH2 ARG A 70 -8.605 4.193 -10.399 1.00 70.12 N ATOM 0 H ARG A 70 -3.066 1.653 -4.626 1.00 54.42 H new ATOM 0 HA ARG A 70 -4.725 3.682 -5.668 1.00 61.43 H new ATOM 0 HB2 ARG A 70 -3.505 2.220 -7.147 1.00 44.23 H new ATOM 0 HB3 ARG A 70 -4.185 0.782 -6.412 1.00 44.23 H new ATOM 0 HG2 ARG A 70 -5.215 1.164 -8.591 1.00 11.13 H new ATOM 0 HG3 ARG A 70 -6.418 1.346 -7.330 1.00 11.13 H new ATOM 0 HD2 ARG A 70 -5.997 3.864 -7.425 1.00 53.34 H new ATOM 0 HD3 ARG A 70 -5.001 3.577 -8.838 1.00 53.34 H new ATOM 0 HE ARG A 70 -7.532 2.319 -9.260 1.00 12.03 H new ATOM 0 HH11 ARG A 70 -6.044 5.474 -9.051 1.00 22.22 H new ATOM 0 HH12 ARG A 70 -7.289 6.237 -10.046 1.00 22.22 H new ATOM 0 HH21 ARG A 70 -9.085 3.299 -10.501 1.00 70.12 H new ATOM 0 HH22 ARG A 70 -8.979 5.027 -10.852 1.00 70.12 H new ATOM 1138 N ARG A 71 -6.315 1.082 -4.353 1.00 64.11 N ATOM 1139 CA ARG A 71 -7.618 0.598 -3.876 1.00 0.04 C ATOM 1140 C ARG A 71 -8.244 1.547 -2.836 1.00 54.44 C ATOM 1141 O ARG A 71 -9.456 1.772 -2.842 1.00 35.25 O ATOM 1142 CB ARG A 71 -7.467 -0.812 -3.287 1.00 63.21 C ATOM 1143 CG ARG A 71 -7.103 -1.872 -4.327 1.00 23.45 C ATOM 1144 CD ARG A 71 -6.871 -3.242 -3.695 1.00 13.24 C ATOM 1145 NE ARG A 71 -7.988 -3.640 -2.840 1.00 21.11 N ATOM 1146 CZ ARG A 71 -8.798 -4.633 -3.085 1.00 44.11 C ATOM 1147 NH1 ARG A 71 -8.640 -5.370 -4.137 1.00 44.10 N ATOM 1148 NH2 ARG A 71 -9.763 -4.888 -2.261 1.00 53.31 N ATOM 0 H ARG A 71 -5.545 0.434 -4.186 1.00 64.11 H new ATOM 0 HA ARG A 71 -8.293 0.567 -4.732 1.00 0.04 H new ATOM 0 HB2 ARG A 71 -6.699 -0.794 -2.514 1.00 63.21 H new ATOM 0 HB3 ARG A 71 -8.401 -1.096 -2.802 1.00 63.21 H new ATOM 0 HG2 ARG A 71 -7.902 -1.944 -5.065 1.00 23.45 H new ATOM 0 HG3 ARG A 71 -6.204 -1.562 -4.860 1.00 23.45 H new ATOM 0 HD2 ARG A 71 -6.731 -3.985 -4.480 1.00 13.24 H new ATOM 0 HD3 ARG A 71 -5.953 -3.221 -3.108 1.00 13.24 H new ATOM 0 HE ARG A 71 -8.146 -3.101 -1.988 1.00 21.11 H new ATOM 0 HH11 ARG A 71 -7.876 -5.177 -4.785 1.00 44.10 H new ATOM 0 HH12 ARG A 71 -9.279 -6.144 -4.318 1.00 44.10 H new ATOM 0 HH21 ARG A 71 -9.886 -4.314 -1.427 1.00 53.31 H new ATOM 0 HH22 ARG A 71 -10.400 -5.663 -2.446 1.00 53.31 H new ATOM 1162 N GLY A 72 -7.417 2.090 -1.947 1.00 75.24 N ATOM 1163 CA GLY A 72 -7.894 3.068 -0.972 1.00 34.45 C ATOM 1164 C GLY A 72 -8.174 4.435 -1.594 1.00 43.04 C ATOM 1165 O GLY A 72 -9.239 5.020 -1.386 1.00 41.12 O ATOM 0 H GLY A 72 -6.423 1.873 -1.881 1.00 75.24 H new ATOM 0 HA2 GLY A 72 -8.804 2.693 -0.504 1.00 34.45 H new ATOM 0 HA3 GLY A 72 -7.151 3.179 -0.182 1.00 34.45 H new ATOM 1169 N LYS A 73 -7.215 4.942 -2.371 1.00 65.43 N ATOM 1170 CA LYS A 73 -7.366 6.236 -3.054 1.00 4.01 C ATOM 1171 C LYS A 73 -8.550 6.215 -4.040 1.00 3.15 C ATOM 1172 O LYS A 73 -9.148 7.254 -4.338 1.00 21.24 O ATOM 1173 CB LYS A 73 -6.065 6.600 -3.788 1.00 25.31 C ATOM 1174 CG LYS A 73 -6.104 7.951 -4.502 1.00 40.30 C ATOM 1175 CD LYS A 73 -4.768 8.288 -5.168 1.00 14.53 C ATOM 1176 CE LYS A 73 -3.649 8.482 -4.148 1.00 40.15 C ATOM 1177 NZ LYS A 73 -3.930 9.609 -3.219 1.00 70.32 N ATOM 0 H LYS A 73 -6.323 4.479 -2.545 1.00 65.43 H new ATOM 0 HA LYS A 73 -7.575 6.995 -2.300 1.00 4.01 H new ATOM 0 HB2 LYS A 73 -5.245 6.605 -3.070 1.00 25.31 H new ATOM 0 HB3 LYS A 73 -5.844 5.822 -4.519 1.00 25.31 H new ATOM 0 HG2 LYS A 73 -6.892 7.940 -5.255 1.00 40.30 H new ATOM 0 HG3 LYS A 73 -6.359 8.732 -3.786 1.00 40.30 H new ATOM 0 HD2 LYS A 73 -4.495 7.488 -5.857 1.00 14.53 H new ATOM 0 HD3 LYS A 73 -4.878 9.196 -5.761 1.00 14.53 H new ATOM 0 HE2 LYS A 73 -3.518 7.564 -3.575 1.00 40.15 H new ATOM 0 HE3 LYS A 73 -2.711 8.668 -4.670 1.00 40.15 H new ATOM 0 HZ1 LYS A 73 -3.066 9.849 -2.693 1.00 70.32 H new ATOM 0 HZ2 LYS A 73 -4.245 10.437 -3.763 1.00 70.32 H new ATOM 0 HZ3 LYS A 73 -4.676 9.330 -2.550 1.00 70.32 H new