USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 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 93 LYS NZ :NH3+ 180:sc= -0.143 (180deg=0) USER MOD Set 1.2: A 118 LYS NZ :NH3+ -118:sc= -0.352 (180deg=-0.785) USER MOD Set 2.1: A 47 THR OG1 : rot 15:sc= -1.77! USER MOD Set 2.2: A 83 SER OG : rot -59:sc= 0.013 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0616) USER MOD Single : A 38 SER OG : rot -113:sc= -1 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= -0.0304 (180deg=-0.0654) USER MOD Single : A 45 SER OG : rot 180:sc= -0.663 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.33) USER MOD Single : A 55 SER OG : rot 113:sc= -0.44 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.00074) USER MOD Single : A 75 THR OG1 : rot 130:sc= -0.418 USER MOD Single : A 76 HIS : no HE2:sc= -1.95 K(o=-2,f=-3.8!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 148:sc= -4.54! USER MOD Single : A 95 HIS : no HD1:sc= -0.835 X(o=-0.83,f=-1.3) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 54:sc= 0.36 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -146:sc= 0 (180deg=-0.49) USER MOD Single : A 116 THR OG1 : rot -134:sc= -0.642 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 119 THR OG1 : rot -156:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 41.889 -34.965 -74.001 1.00 30.42 N ATOM 472 CA ALA A 33 40.483 -35.329 -74.125 1.00 51.24 C ATOM 473 C ALA A 33 39.755 -35.169 -72.795 1.00 54.02 C ATOM 474 O ALA A 33 40.345 -35.336 -71.729 1.00 42.00 O ATOM 475 CB ALA A 33 40.350 -36.757 -74.634 1.00 11.31 C ATOM 0 HA ALA A 33 40.021 -34.654 -74.845 1.00 51.24 H new ATOM 0 HB1 ALA A 33 39.295 -37.015 -74.722 1.00 11.31 H new ATOM 0 HB2 ALA A 33 40.827 -36.841 -75.611 1.00 11.31 H new ATOM 0 HB3 ALA A 33 40.833 -37.439 -73.935 1.00 11.31 H new ATOM 481 N GLY A 34 38.467 -34.843 -72.866 1.00 23.42 N ATOM 482 CA GLY A 34 37.680 -34.666 -71.660 1.00 11.52 C ATOM 483 C GLY A 34 37.749 -35.868 -70.739 1.00 43.14 C ATOM 484 O GLY A 34 37.838 -35.721 -69.521 1.00 14.01 O ATOM 0 H GLY A 34 37.956 -34.699 -73.737 1.00 23.42 H new ATOM 0 HA2 GLY A 34 38.032 -33.783 -71.127 1.00 11.52 H new ATOM 0 HA3 GLY A 34 36.641 -34.480 -71.932 1.00 11.52 H new ATOM 488 N ALA A 35 37.708 -37.061 -71.323 1.00 72.12 N ATOM 489 CA ALA A 35 37.767 -38.294 -70.547 1.00 51.33 C ATOM 490 C ALA A 35 39.075 -38.391 -69.770 1.00 1.43 C ATOM 491 O ALA A 35 39.142 -39.043 -68.728 1.00 35.52 O ATOM 492 CB ALA A 35 37.602 -39.500 -71.460 1.00 23.13 C ATOM 0 H ALA A 35 37.634 -37.200 -72.331 1.00 72.12 H new ATOM 0 HA ALA A 35 36.948 -38.282 -69.828 1.00 51.33 H new ATOM 0 HB1 ALA A 35 37.648 -40.414 -70.868 1.00 23.13 H new ATOM 0 HB2 ALA A 35 36.638 -39.444 -71.966 1.00 23.13 H new ATOM 0 HB3 ALA A 35 38.401 -39.507 -72.201 1.00 23.13 H new ATOM 498 N ILE A 36 40.113 -37.738 -70.283 1.00 34.32 N ATOM 499 CA ILE A 36 41.419 -37.751 -69.636 1.00 34.45 C ATOM 500 C ILE A 36 41.308 -37.355 -68.167 1.00 63.21 C ATOM 501 O ILE A 36 42.073 -37.828 -67.326 1.00 11.43 O ATOM 502 CB ILE A 36 42.405 -36.801 -70.339 1.00 63.13 C ATOM 503 CG1 ILE A 36 43.831 -37.349 -70.244 1.00 73.14 C ATOM 504 CG2 ILE A 36 42.326 -35.409 -69.731 1.00 35.14 C ATOM 505 CD1 ILE A 36 44.740 -36.862 -71.351 1.00 22.05 C ATOM 0 H ILE A 36 40.074 -37.194 -71.145 1.00 34.32 H new ATOM 0 HA ILE A 36 41.797 -38.771 -69.708 1.00 34.45 H new ATOM 0 HB ILE A 36 42.131 -36.732 -71.392 1.00 63.13 H new ATOM 0 HG12 ILE A 36 44.258 -37.064 -69.282 1.00 73.14 H new ATOM 0 HG13 ILE A 36 43.795 -38.438 -70.267 1.00 73.14 H new ATOM 0 HG21 ILE A 36 43.029 -34.749 -70.239 1.00 35.14 H new ATOM 0 HG22 ILE A 36 41.315 -35.019 -69.846 1.00 35.14 H new ATOM 0 HG23 ILE A 36 42.577 -35.460 -68.672 1.00 35.14 H new ATOM 0 HD11 ILE A 36 45.734 -37.290 -71.220 1.00 22.05 H new ATOM 0 HD12 ILE A 36 44.336 -37.170 -72.315 1.00 22.05 H new ATOM 0 HD13 ILE A 36 44.806 -35.775 -71.316 1.00 22.05 H new ATOM 517 N LYS A 37 40.350 -36.486 -67.865 1.00 41.41 N ATOM 518 CA LYS A 37 40.136 -36.027 -66.498 1.00 12.13 C ATOM 519 C LYS A 37 39.646 -37.168 -65.612 1.00 13.33 C ATOM 520 O LYS A 37 40.020 -37.263 -64.443 1.00 14.02 O ATOM 521 CB LYS A 37 39.124 -34.879 -66.476 1.00 20.03 C ATOM 522 CG LYS A 37 39.746 -33.525 -66.181 1.00 64.20 C ATOM 523 CD LYS A 37 39.466 -33.081 -64.755 1.00 54.24 C ATOM 524 CE LYS A 37 40.079 -31.720 -64.465 1.00 5.14 C ATOM 525 NZ LYS A 37 39.393 -30.631 -65.213 1.00 2.51 N ATOM 0 H LYS A 37 39.709 -36.085 -68.549 1.00 41.41 H new ATOM 0 HA LYS A 37 41.089 -35.670 -66.107 1.00 12.13 H new ATOM 0 HB2 LYS A 37 38.617 -34.834 -67.440 1.00 20.03 H new ATOM 0 HB3 LYS A 37 38.363 -35.091 -65.725 1.00 20.03 H new ATOM 0 HG2 LYS A 37 40.823 -33.575 -66.342 1.00 64.20 H new ATOM 0 HG3 LYS A 37 39.354 -32.784 -66.877 1.00 64.20 H new ATOM 0 HD2 LYS A 37 38.389 -33.039 -64.591 1.00 54.24 H new ATOM 0 HD3 LYS A 37 39.866 -33.817 -64.058 1.00 54.24 H new ATOM 0 HE2 LYS A 37 40.023 -31.517 -63.396 1.00 5.14 H new ATOM 0 HE3 LYS A 37 41.136 -31.734 -64.732 1.00 5.14 H new ATOM 0 HZ1 LYS A 37 39.748 -29.709 -64.888 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 39.583 -30.736 -66.230 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 38.368 -30.686 -65.044 1.00 2.51 H new ATOM 539 N SER A 38 38.808 -38.032 -66.176 1.00 41.43 N ATOM 540 CA SER A 38 38.265 -39.165 -65.436 1.00 42.14 C ATOM 541 C SER A 38 39.372 -40.141 -65.050 1.00 32.45 C ATOM 542 O SER A 38 39.458 -40.578 -63.902 1.00 12.04 O ATOM 543 CB SER A 38 37.203 -39.884 -66.270 1.00 63.15 C ATOM 544 OG SER A 38 36.284 -38.962 -66.831 1.00 23.43 O ATOM 0 H SER A 38 38.490 -37.969 -67.143 1.00 41.43 H new ATOM 0 HA SER A 38 37.804 -38.785 -64.524 1.00 42.14 H new ATOM 0 HB2 SER A 38 37.684 -40.452 -67.066 1.00 63.15 H new ATOM 0 HB3 SER A 38 36.669 -40.600 -65.645 1.00 63.15 H new ATOM 0 HG SER A 38 35.401 -39.094 -66.428 1.00 23.43 H new ATOM 550 N LYS A 39 40.217 -40.481 -66.017 1.00 5.44 N ATOM 551 CA LYS A 39 41.320 -41.404 -65.780 1.00 25.31 C ATOM 552 C LYS A 39 42.310 -40.824 -64.775 1.00 1.13 C ATOM 553 O LYS A 39 42.912 -41.555 -63.988 1.00 43.03 O ATOM 554 CB LYS A 39 42.038 -41.721 -67.094 1.00 24.12 C ATOM 555 CG LYS A 39 42.591 -40.493 -67.797 1.00 14.04 C ATOM 556 CD LYS A 39 43.495 -40.874 -68.957 1.00 14.10 C ATOM 557 CE LYS A 39 44.920 -40.392 -68.735 1.00 10.24 C ATOM 558 NZ LYS A 39 45.899 -41.161 -69.551 1.00 25.32 N ATOM 0 H LYS A 39 40.159 -40.131 -66.973 1.00 5.44 H new ATOM 0 HA LYS A 39 40.907 -42.324 -65.367 1.00 25.31 H new ATOM 0 HB2 LYS A 39 42.856 -42.414 -66.894 1.00 24.12 H new ATOM 0 HB3 LYS A 39 41.345 -42.231 -67.763 1.00 24.12 H new ATOM 0 HG2 LYS A 39 41.767 -39.880 -68.163 1.00 14.04 H new ATOM 0 HG3 LYS A 39 43.149 -39.885 -67.085 1.00 14.04 H new ATOM 0 HD2 LYS A 39 43.491 -41.957 -69.082 1.00 14.10 H new ATOM 0 HD3 LYS A 39 43.104 -40.445 -69.880 1.00 14.10 H new ATOM 0 HE2 LYS A 39 44.989 -39.334 -68.987 1.00 10.24 H new ATOM 0 HE3 LYS A 39 45.175 -40.485 -67.679 1.00 10.24 H new ATOM 0 HZ1 LYS A 39 46.865 -40.873 -69.297 1.00 25.32 H new ATOM 0 HZ2 LYS A 39 45.782 -42.178 -69.367 1.00 25.32 H new ATOM 0 HZ3 LYS A 39 45.735 -40.971 -70.560 1.00 25.32 H new ATOM 572 N VAL A 40 42.473 -39.505 -64.805 1.00 15.11 N ATOM 573 CA VAL A 40 43.387 -38.826 -63.895 1.00 21.24 C ATOM 574 C VAL A 40 43.000 -39.074 -62.441 1.00 2.00 C ATOM 575 O VAL A 40 43.859 -39.312 -61.592 1.00 72.14 O ATOM 576 CB VAL A 40 43.415 -37.308 -64.155 1.00 61.54 C ATOM 577 CG1 VAL A 40 44.111 -36.583 -63.014 1.00 33.03 C ATOM 578 CG2 VAL A 40 44.096 -37.009 -65.482 1.00 44.22 C ATOM 0 H VAL A 40 41.983 -38.885 -65.450 1.00 15.11 H new ATOM 0 HA VAL A 40 44.380 -39.237 -64.080 1.00 21.24 H new ATOM 0 HB VAL A 40 42.388 -36.947 -64.209 1.00 61.54 H new ATOM 0 HG11 VAL A 40 44.121 -35.512 -63.216 1.00 33.03 H new ATOM 0 HG12 VAL A 40 43.576 -36.772 -62.083 1.00 33.03 H new ATOM 0 HG13 VAL A 40 45.135 -36.945 -62.924 1.00 33.03 H new ATOM 0 HG21 VAL A 40 44.107 -35.932 -65.651 1.00 44.22 H new ATOM 0 HG22 VAL A 40 45.119 -37.383 -65.458 1.00 44.22 H new ATOM 0 HG23 VAL A 40 43.550 -37.497 -66.289 1.00 44.22 H new ATOM 588 N GLU A 41 41.702 -39.016 -62.162 1.00 33.42 N ATOM 589 CA GLU A 41 41.201 -39.234 -60.810 1.00 24.54 C ATOM 590 C GLU A 41 41.643 -40.595 -60.279 1.00 25.22 C ATOM 591 O GLU A 41 41.768 -40.791 -59.070 1.00 61.13 O ATOM 592 CB GLU A 41 39.675 -39.137 -60.785 1.00 14.31 C ATOM 593 CG GLU A 41 38.976 -40.466 -61.015 1.00 73.03 C ATOM 594 CD GLU A 41 38.771 -41.248 -59.732 1.00 43.22 C ATOM 595 OE1 GLU A 41 38.631 -40.613 -58.666 1.00 62.20 O ATOM 596 OE2 GLU A 41 38.751 -42.495 -59.795 1.00 21.00 O ATOM 0 H GLU A 41 40.978 -38.820 -62.854 1.00 33.42 H new ATOM 0 HA GLU A 41 41.618 -38.459 -60.167 1.00 24.54 H new ATOM 0 HB2 GLU A 41 39.361 -38.733 -59.823 1.00 14.31 H new ATOM 0 HB3 GLU A 41 39.352 -38.429 -61.549 1.00 14.31 H new ATOM 0 HG2 GLU A 41 38.009 -40.287 -61.485 1.00 73.03 H new ATOM 0 HG3 GLU A 41 39.563 -41.065 -61.711 1.00 73.03 H new ATOM 603 N ALA A 42 41.878 -41.532 -61.192 1.00 4.03 N ATOM 604 CA ALA A 42 42.308 -42.873 -60.817 1.00 33.53 C ATOM 605 C ALA A 42 43.781 -42.889 -60.423 1.00 50.44 C ATOM 606 O ALA A 42 44.236 -43.789 -59.719 1.00 71.42 O ATOM 607 CB ALA A 42 42.054 -43.847 -61.958 1.00 21.20 C ATOM 0 H ALA A 42 41.778 -41.387 -62.197 1.00 4.03 H new ATOM 0 HA ALA A 42 41.725 -43.185 -59.951 1.00 33.53 H new ATOM 0 HB1 ALA A 42 42.380 -44.845 -61.664 1.00 21.20 H new ATOM 0 HB2 ALA A 42 40.989 -43.867 -62.189 1.00 21.20 H new ATOM 0 HB3 ALA A 42 42.611 -43.528 -62.839 1.00 21.20 H new ATOM 613 N ALA A 43 44.522 -41.886 -60.884 1.00 12.33 N ATOM 614 CA ALA A 43 45.943 -41.784 -60.579 1.00 4.54 C ATOM 615 C ALA A 43 46.175 -41.658 -59.077 1.00 30.24 C ATOM 616 O ALA A 43 47.252 -41.983 -58.575 1.00 31.23 O ATOM 617 CB ALA A 43 46.556 -40.598 -61.310 1.00 23.32 C ATOM 0 H ALA A 43 44.161 -41.133 -61.470 1.00 12.33 H new ATOM 0 HA ALA A 43 46.429 -42.698 -60.920 1.00 4.54 H new ATOM 0 HB1 ALA A 43 47.618 -40.534 -61.073 1.00 23.32 H new ATOM 0 HB2 ALA A 43 46.431 -40.729 -62.385 1.00 23.32 H new ATOM 0 HB3 ALA A 43 46.058 -39.680 -60.996 1.00 23.32 H new ATOM 623 N LEU A 44 45.159 -41.184 -58.364 1.00 20.53 N ATOM 624 CA LEU A 44 45.252 -41.015 -56.918 1.00 21.33 C ATOM 625 C LEU A 44 45.521 -42.350 -56.230 1.00 5.34 C ATOM 626 O LEU A 44 45.987 -42.389 -55.091 1.00 21.32 O ATOM 627 CB LEU A 44 43.963 -40.399 -56.373 1.00 12.54 C ATOM 628 CG LEU A 44 43.858 -38.876 -56.461 1.00 55.41 C ATOM 629 CD1 LEU A 44 44.971 -38.216 -55.663 1.00 24.32 C ATOM 630 CD2 LEU A 44 43.899 -38.422 -57.913 1.00 53.30 C ATOM 0 H LEU A 44 44.261 -40.910 -58.764 1.00 20.53 H new ATOM 0 HA LEU A 44 46.085 -40.344 -56.708 1.00 21.33 H new ATOM 0 HB2 LEU A 44 43.120 -40.833 -56.911 1.00 12.54 H new ATOM 0 HB3 LEU A 44 43.858 -40.691 -55.328 1.00 12.54 H new ATOM 0 HG LEU A 44 42.903 -38.572 -56.032 1.00 55.41 H new ATOM 0 HD11 LEU A 44 44.879 -37.132 -55.738 1.00 24.32 H new ATOM 0 HD12 LEU A 44 44.896 -38.515 -54.618 1.00 24.32 H new ATOM 0 HD13 LEU A 44 45.937 -38.527 -56.061 1.00 24.32 H new ATOM 0 HD21 LEU A 44 43.823 -37.336 -57.957 1.00 53.30 H new ATOM 0 HD22 LEU A 44 44.838 -38.739 -58.367 1.00 53.30 H new ATOM 0 HD23 LEU A 44 43.065 -38.866 -58.457 1.00 53.30 H new ATOM 642 N SER A 45 45.227 -43.441 -56.930 1.00 4.34 N ATOM 643 CA SER A 45 45.436 -44.777 -56.386 1.00 24.44 C ATOM 644 C SER A 45 46.591 -45.478 -57.095 1.00 71.32 C ATOM 645 O SER A 45 46.959 -45.140 -58.220 1.00 73.24 O ATOM 646 CB SER A 45 44.160 -45.610 -56.519 1.00 20.35 C ATOM 647 OG SER A 45 44.456 -46.937 -56.918 1.00 24.31 O ATOM 0 H SER A 45 44.843 -43.426 -57.875 1.00 4.34 H new ATOM 0 HA SER A 45 45.688 -44.677 -55.330 1.00 24.44 H new ATOM 0 HB2 SER A 45 43.630 -45.623 -55.567 1.00 20.35 H new ATOM 0 HB3 SER A 45 43.495 -45.148 -57.248 1.00 20.35 H new ATOM 0 HG SER A 45 43.624 -47.449 -56.994 1.00 24.31 H new ATOM 653 N PRO A 46 47.177 -46.479 -56.422 1.00 64.52 N ATOM 654 CA PRO A 46 48.298 -47.250 -56.968 1.00 64.22 C ATOM 655 C PRO A 46 47.876 -48.146 -58.127 1.00 70.15 C ATOM 656 O PRO A 46 47.711 -49.355 -57.964 1.00 33.54 O ATOM 657 CB PRO A 46 48.760 -48.096 -55.779 1.00 34.41 C ATOM 658 CG PRO A 46 47.554 -48.222 -54.913 1.00 52.10 C ATOM 659 CD PRO A 46 46.791 -46.937 -55.077 1.00 12.52 C ATOM 0 HA PRO A 46 49.075 -46.604 -57.377 1.00 64.22 H new ATOM 0 HB2 PRO A 46 49.118 -49.073 -56.104 1.00 34.41 H new ATOM 0 HB3 PRO A 46 49.581 -47.616 -55.247 1.00 34.41 H new ATOM 0 HG2 PRO A 46 46.947 -49.077 -55.211 1.00 52.10 H new ATOM 0 HG3 PRO A 46 47.836 -48.378 -53.872 1.00 52.10 H new ATOM 0 HD2 PRO A 46 45.715 -47.096 -55.000 1.00 12.52 H new ATOM 0 HD3 PRO A 46 47.061 -46.209 -54.312 1.00 12.52 H new ATOM 667 N THR A 47 47.703 -47.546 -59.301 1.00 14.31 N ATOM 668 CA THR A 47 47.299 -48.289 -60.488 1.00 32.14 C ATOM 669 C THR A 47 47.792 -47.607 -61.758 1.00 41.33 C ATOM 670 O THR A 47 48.571 -46.655 -61.701 1.00 44.24 O ATOM 671 CB THR A 47 45.768 -48.441 -60.561 1.00 53.14 C ATOM 672 OG1 THR A 47 45.417 -49.385 -61.580 1.00 4.42 O ATOM 673 CG2 THR A 47 45.105 -47.103 -60.853 1.00 33.12 C ATOM 0 H THR A 47 47.837 -46.547 -59.455 1.00 14.31 H new ATOM 0 HA THR A 47 47.752 -49.278 -60.411 1.00 32.14 H new ATOM 0 HB THR A 47 45.414 -48.801 -59.595 1.00 53.14 H new ATOM 0 HG1 THR A 47 46.210 -49.902 -61.834 1.00 4.42 H new ATOM 0 HG21 THR A 47 44.024 -47.235 -60.900 1.00 33.12 H new ATOM 0 HG22 THR A 47 45.350 -46.395 -60.061 1.00 33.12 H new ATOM 0 HG23 THR A 47 45.465 -46.719 -61.807 1.00 33.12 H new ATOM 681 N HIS A 48 47.333 -48.098 -62.905 1.00 23.21 N ATOM 682 CA HIS A 48 47.728 -47.534 -64.191 1.00 34.01 C ATOM 683 C HIS A 48 46.503 -47.213 -65.042 1.00 73.51 C ATOM 684 O HIS A 48 45.492 -47.914 -64.982 1.00 12.30 O ATOM 685 CB HIS A 48 48.643 -48.504 -64.938 1.00 73.43 C ATOM 686 CG HIS A 48 49.624 -47.825 -65.844 1.00 33.51 C ATOM 687 ND1 HIS A 48 50.908 -47.506 -65.458 1.00 1.34 N ATOM 688 CD2 HIS A 48 49.503 -47.407 -67.125 1.00 54.14 C ATOM 689 CE1 HIS A 48 51.534 -46.918 -66.462 1.00 21.14 C ATOM 690 NE2 HIS A 48 50.703 -46.846 -67.486 1.00 23.41 N ATOM 0 H HIS A 48 46.687 -48.885 -62.970 1.00 23.21 H new ATOM 0 HA HIS A 48 48.271 -46.608 -64.003 1.00 34.01 H new ATOM 0 HB2 HIS A 48 49.188 -49.108 -64.213 1.00 73.43 H new ATOM 0 HB3 HIS A 48 48.031 -49.188 -65.526 1.00 73.43 H new ATOM 0 HD2 HIS A 48 48.625 -47.498 -67.748 1.00 54.14 H new ATOM 0 HE1 HIS A 48 52.552 -46.558 -66.448 1.00 21.14 H new ATOM 0 HE2 HIS A 48 50.918 -46.440 -68.397 1.00 23.41 H new ATOM 698 N PHE A 49 46.600 -46.151 -65.834 1.00 11.53 N ATOM 699 CA PHE A 49 45.499 -45.736 -66.696 1.00 23.11 C ATOM 700 C PHE A 49 45.999 -45.421 -68.103 1.00 22.32 C ATOM 701 O PHE A 49 46.999 -44.725 -68.278 1.00 2.43 O ATOM 702 CB PHE A 49 44.795 -44.512 -66.107 1.00 21.01 C ATOM 703 CG PHE A 49 45.741 -43.486 -65.551 1.00 31.22 C ATOM 704 CD1 PHE A 49 46.168 -43.560 -64.235 1.00 11.42 C ATOM 705 CD2 PHE A 49 46.203 -42.448 -66.344 1.00 74.31 C ATOM 706 CE1 PHE A 49 47.038 -42.617 -63.720 1.00 25.50 C ATOM 707 CE2 PHE A 49 47.074 -41.504 -65.835 1.00 55.40 C ATOM 708 CZ PHE A 49 47.491 -41.588 -64.521 1.00 40.41 C ATOM 0 H PHE A 49 47.430 -45.561 -65.897 1.00 11.53 H new ATOM 0 HA PHE A 49 44.788 -46.560 -66.758 1.00 23.11 H new ATOM 0 HB2 PHE A 49 44.182 -44.048 -66.880 1.00 21.01 H new ATOM 0 HB3 PHE A 49 44.119 -44.837 -65.316 1.00 21.01 H new ATOM 0 HD1 PHE A 49 45.817 -44.363 -63.604 1.00 11.42 H new ATOM 0 HD2 PHE A 49 45.879 -42.376 -67.372 1.00 74.31 H new ATOM 0 HE1 PHE A 49 47.363 -42.685 -62.692 1.00 25.50 H new ATOM 0 HE2 PHE A 49 47.429 -40.701 -66.464 1.00 55.40 H new ATOM 0 HZ PHE A 49 48.170 -40.850 -64.121 1.00 40.41 H new ATOM 718 N LYS A 50 45.296 -45.940 -69.104 1.00 24.42 N ATOM 719 CA LYS A 50 45.666 -45.716 -70.496 1.00 42.32 C ATOM 720 C LYS A 50 44.479 -45.189 -71.296 1.00 42.22 C ATOM 721 O LYS A 50 43.474 -45.881 -71.464 1.00 0.13 O ATOM 722 CB LYS A 50 46.183 -47.012 -71.124 1.00 34.42 C ATOM 723 CG LYS A 50 46.606 -46.859 -72.574 1.00 64.43 C ATOM 724 CD LYS A 50 45.990 -47.936 -73.452 1.00 14.41 C ATOM 725 CE LYS A 50 46.734 -48.073 -74.771 1.00 73.13 C ATOM 726 NZ LYS A 50 46.655 -49.459 -75.311 1.00 2.04 N ATOM 0 H LYS A 50 44.466 -46.519 -68.977 1.00 24.42 H new ATOM 0 HA LYS A 50 46.458 -44.968 -70.519 1.00 42.32 H new ATOM 0 HB2 LYS A 50 47.031 -47.374 -70.543 1.00 34.42 H new ATOM 0 HB3 LYS A 50 45.405 -47.773 -71.060 1.00 34.42 H new ATOM 0 HG2 LYS A 50 46.308 -45.876 -72.939 1.00 64.43 H new ATOM 0 HG3 LYS A 50 47.693 -46.909 -72.644 1.00 64.43 H new ATOM 0 HD2 LYS A 50 46.005 -48.890 -72.924 1.00 14.41 H new ATOM 0 HD3 LYS A 50 44.945 -47.695 -73.646 1.00 14.41 H new ATOM 0 HE2 LYS A 50 46.317 -47.376 -75.498 1.00 73.13 H new ATOM 0 HE3 LYS A 50 47.779 -47.798 -74.629 1.00 73.13 H new ATOM 0 HZ1 LYS A 50 47.174 -49.511 -76.211 1.00 2.04 H new ATOM 0 HZ2 LYS A 50 47.076 -50.122 -74.629 1.00 2.04 H new ATOM 0 HZ3 LYS A 50 45.659 -49.713 -75.471 1.00 2.04 H new ATOM 740 N LEU A 51 44.602 -43.962 -71.789 1.00 41.54 N ATOM 741 CA LEU A 51 43.539 -43.342 -72.574 1.00 24.21 C ATOM 742 C LEU A 51 44.070 -42.848 -73.916 1.00 24.22 C ATOM 743 O LEU A 51 44.971 -42.010 -73.967 1.00 61.03 O ATOM 744 CB LEU A 51 42.918 -42.179 -71.799 1.00 1.01 C ATOM 745 CG LEU A 51 41.665 -41.555 -72.415 1.00 24.01 C ATOM 746 CD1 LEU A 51 40.479 -41.699 -71.474 1.00 4.42 C ATOM 747 CD2 LEU A 51 41.908 -40.091 -72.750 1.00 5.31 C ATOM 0 H LEU A 51 45.427 -43.376 -71.659 1.00 41.54 H new ATOM 0 HA LEU A 51 42.774 -44.095 -72.762 1.00 24.21 H new ATOM 0 HB2 LEU A 51 42.671 -42.528 -70.796 1.00 1.01 H new ATOM 0 HB3 LEU A 51 43.671 -41.399 -71.688 1.00 1.01 H new ATOM 0 HG LEU A 51 41.435 -42.085 -73.339 1.00 24.01 H new ATOM 0 HD11 LEU A 51 39.597 -41.249 -71.929 1.00 4.42 H new ATOM 0 HD12 LEU A 51 40.291 -42.756 -71.285 1.00 4.42 H new ATOM 0 HD13 LEU A 51 40.698 -41.195 -70.533 1.00 4.42 H new ATOM 0 HD21 LEU A 51 41.006 -39.663 -73.187 1.00 5.31 H new ATOM 0 HD22 LEU A 51 42.163 -39.547 -71.841 1.00 5.31 H new ATOM 0 HD23 LEU A 51 42.729 -40.012 -73.462 1.00 5.31 H new ATOM 759 N ILE A 52 43.505 -43.371 -74.999 1.00 24.34 N ATOM 760 CA ILE A 52 43.920 -42.981 -76.340 1.00 51.33 C ATOM 761 C ILE A 52 42.727 -42.521 -77.172 1.00 63.32 C ATOM 762 O ILE A 52 41.812 -43.297 -77.445 1.00 23.11 O ATOM 763 CB ILE A 52 44.626 -44.138 -77.071 1.00 34.41 C ATOM 764 CG1 ILE A 52 43.742 -45.387 -77.066 1.00 71.43 C ATOM 765 CG2 ILE A 52 45.970 -44.432 -76.423 1.00 5.10 C ATOM 766 CD1 ILE A 52 43.417 -45.903 -78.451 1.00 10.22 C ATOM 0 H ILE A 52 42.759 -44.066 -74.974 1.00 24.34 H new ATOM 0 HA ILE A 52 44.621 -42.154 -76.225 1.00 51.33 H new ATOM 0 HB ILE A 52 44.800 -43.842 -78.106 1.00 34.41 H new ATOM 0 HG12 ILE A 52 44.242 -46.174 -76.502 1.00 71.43 H new ATOM 0 HG13 ILE A 52 42.812 -45.162 -76.543 1.00 71.43 H new ATOM 0 HG21 ILE A 52 46.457 -45.252 -76.951 1.00 5.10 H new ATOM 0 HG22 ILE A 52 46.600 -43.544 -76.473 1.00 5.10 H new ATOM 0 HG23 ILE A 52 45.818 -44.711 -75.380 1.00 5.10 H new ATOM 0 HD11 ILE A 52 42.788 -46.789 -78.371 1.00 10.22 H new ATOM 0 HD12 ILE A 52 42.888 -45.132 -79.012 1.00 10.22 H new ATOM 0 HD13 ILE A 52 44.341 -46.160 -78.970 1.00 10.22 H new ATOM 778 N ASN A 53 42.746 -41.255 -77.574 1.00 51.41 N ATOM 779 CA ASN A 53 41.666 -40.691 -78.377 1.00 23.52 C ATOM 780 C ASN A 53 42.127 -40.443 -79.810 1.00 14.10 C ATOM 781 O ASN A 53 43.095 -39.720 -80.045 1.00 64.52 O ATOM 782 CB ASN A 53 41.169 -39.385 -77.755 1.00 53.12 C ATOM 783 CG ASN A 53 40.419 -38.520 -78.750 1.00 43.11 C ATOM 784 OD1 ASN A 53 40.923 -37.489 -79.197 1.00 23.32 O ATOM 785 ND2 ASN A 53 39.208 -38.937 -79.102 1.00 5.41 N ATOM 0 H ASN A 53 43.497 -40.600 -77.357 1.00 51.41 H new ATOM 0 HA ASN A 53 40.847 -41.410 -78.397 1.00 23.52 H new ATOM 0 HB2 ASN A 53 40.517 -39.612 -76.911 1.00 53.12 H new ATOM 0 HB3 ASN A 53 42.018 -38.827 -77.360 1.00 53.12 H new ATOM 0 HD21 ASN A 53 38.656 -38.397 -79.768 1.00 5.41 H new ATOM 0 HD22 ASN A 53 38.830 -39.798 -78.706 1.00 5.41 H new ATOM 792 N ASP A 54 41.425 -41.046 -80.764 1.00 3.34 N ATOM 793 CA ASP A 54 41.760 -40.889 -82.174 1.00 43.22 C ATOM 794 C ASP A 54 40.896 -39.811 -82.821 1.00 43.13 C ATOM 795 O ASP A 54 41.396 -38.960 -83.557 1.00 12.30 O ATOM 796 CB ASP A 54 41.581 -42.216 -82.914 1.00 0.34 C ATOM 797 CG ASP A 54 42.722 -42.505 -83.869 1.00 1.11 C ATOM 798 OD1 ASP A 54 43.840 -42.788 -83.390 1.00 22.23 O ATOM 799 OD2 ASP A 54 42.497 -42.449 -85.096 1.00 12.23 O ATOM 0 H ASP A 54 40.621 -41.648 -80.586 1.00 3.34 H new ATOM 0 HA ASP A 54 42.804 -40.582 -82.242 1.00 43.22 H new ATOM 0 HB2 ASP A 54 41.505 -43.026 -82.188 1.00 0.34 H new ATOM 0 HB3 ASP A 54 40.643 -42.196 -83.469 1.00 0.34 H new ATOM 804 N SER A 55 39.597 -39.855 -82.543 1.00 3.42 N ATOM 805 CA SER A 55 38.663 -38.885 -83.102 1.00 13.34 C ATOM 806 C SER A 55 38.828 -38.780 -84.615 1.00 23.23 C ATOM 807 O SER A 55 39.521 -39.590 -85.233 1.00 13.25 O ATOM 808 CB SER A 55 38.873 -37.513 -82.458 1.00 42.32 C ATOM 809 OG SER A 55 37.659 -36.783 -82.404 1.00 24.30 O ATOM 0 H SER A 55 39.168 -40.552 -81.934 1.00 3.42 H new ATOM 0 HA SER A 55 37.651 -39.228 -82.888 1.00 13.34 H new ATOM 0 HB2 SER A 55 39.271 -37.638 -81.451 1.00 42.32 H new ATOM 0 HB3 SER A 55 39.614 -36.951 -83.026 1.00 42.32 H new ATOM 0 HG SER A 55 37.386 -36.670 -81.469 1.00 24.30 H new ATOM 815 N HIS A 56 38.187 -37.777 -85.206 1.00 3.11 N ATOM 816 CA HIS A 56 38.263 -37.565 -86.647 1.00 41.21 C ATOM 817 C HIS A 56 38.557 -36.102 -86.966 1.00 63.12 C ATOM 818 O HIS A 56 37.971 -35.196 -86.374 1.00 33.12 O ATOM 819 CB HIS A 56 36.956 -37.992 -87.316 1.00 65.02 C ATOM 820 CG HIS A 56 36.980 -37.869 -88.809 1.00 15.34 C ATOM 821 ND1 HIS A 56 36.014 -37.191 -89.523 1.00 2.12 N ATOM 822 CD2 HIS A 56 37.860 -38.340 -89.722 1.00 72.14 C ATOM 823 CE1 HIS A 56 36.299 -37.252 -90.811 1.00 73.14 C ATOM 824 NE2 HIS A 56 37.414 -37.944 -90.959 1.00 43.43 N ATOM 0 H HIS A 56 37.609 -37.098 -84.710 1.00 3.11 H new ATOM 0 HA HIS A 56 39.078 -38.175 -87.037 1.00 41.21 H new ATOM 0 HB2 HIS A 56 36.741 -39.027 -87.048 1.00 65.02 H new ATOM 0 HB3 HIS A 56 36.141 -37.385 -86.923 1.00 65.02 H new ATOM 0 HD2 HIS A 56 38.748 -38.919 -89.516 1.00 72.14 H new ATOM 0 HE1 HIS A 56 35.719 -36.811 -91.608 1.00 73.14 H new ATOM 0 HE2 HIS A 56 37.870 -38.151 -91.848 1.00 43.43 H new ATOM 1069 N THR A 75 36.129 -48.390 -83.429 1.00 3.42 N ATOM 1070 CA THR A 75 36.230 -47.371 -82.391 1.00 23.51 C ATOM 1071 C THR A 75 37.497 -46.540 -82.558 1.00 52.41 C ATOM 1072 O THR A 75 38.427 -46.940 -83.259 1.00 32.21 O ATOM 1073 CB THR A 75 36.225 -48.000 -80.985 1.00 34.23 C ATOM 1074 OG1 THR A 75 37.563 -48.314 -80.583 1.00 73.21 O ATOM 1075 CG2 THR A 75 35.373 -49.260 -80.959 1.00 20.50 C ATOM 0 HA THR A 75 35.358 -46.725 -82.496 1.00 23.51 H new ATOM 0 HB THR A 75 35.798 -47.277 -80.290 1.00 34.23 H new ATOM 0 HG1 THR A 75 37.729 -47.952 -79.688 1.00 73.21 H new ATOM 0 HG21 THR A 75 35.385 -49.686 -79.956 1.00 20.50 H new ATOM 0 HG22 THR A 75 34.348 -49.012 -81.236 1.00 20.50 H new ATOM 0 HG23 THR A 75 35.775 -49.986 -81.666 1.00 20.50 H new ATOM 1083 N HIS A 76 37.527 -45.380 -81.910 1.00 2.43 N ATOM 1084 CA HIS A 76 38.682 -44.491 -81.986 1.00 34.31 C ATOM 1085 C HIS A 76 39.206 -44.161 -80.592 1.00 21.23 C ATOM 1086 O HIS A 76 40.399 -43.920 -80.407 1.00 63.51 O ATOM 1087 CB HIS A 76 38.313 -43.203 -82.723 1.00 31.41 C ATOM 1088 CG HIS A 76 38.389 -43.324 -84.214 1.00 1.32 C ATOM 1089 ND1 HIS A 76 38.636 -44.516 -84.861 1.00 43.00 N ATOM 1090 CD2 HIS A 76 38.247 -42.392 -85.186 1.00 23.24 C ATOM 1091 CE1 HIS A 76 38.645 -44.312 -86.166 1.00 60.33 C ATOM 1092 NE2 HIS A 76 38.411 -43.032 -86.390 1.00 11.33 N ATOM 0 H HIS A 76 36.766 -45.033 -81.327 1.00 2.43 H new ATOM 0 HA HIS A 76 39.469 -45.004 -82.539 1.00 34.31 H new ATOM 0 HB2 HIS A 76 37.302 -42.910 -82.441 1.00 31.41 H new ATOM 0 HB3 HIS A 76 38.979 -42.404 -82.397 1.00 31.41 H new ATOM 0 HD1 HIS A 76 38.788 -45.415 -84.404 1.00 43.00 H new ATOM 0 HD2 HIS A 76 38.043 -41.341 -85.041 1.00 23.24 H new ATOM 0 HE1 HIS A 76 38.815 -45.065 -86.922 1.00 60.33 H new ATOM 1100 N PHE A 77 38.307 -44.151 -79.614 1.00 33.05 N ATOM 1101 CA PHE A 77 38.678 -43.849 -78.236 1.00 44.42 C ATOM 1102 C PHE A 77 38.524 -45.080 -77.348 1.00 63.14 C ATOM 1103 O PHE A 77 37.549 -45.822 -77.462 1.00 74.20 O ATOM 1104 CB PHE A 77 37.820 -42.704 -77.693 1.00 62.15 C ATOM 1105 CG PHE A 77 37.892 -42.557 -76.200 1.00 43.45 C ATOM 1106 CD1 PHE A 77 37.048 -43.284 -75.378 1.00 12.04 C ATOM 1107 CD2 PHE A 77 38.804 -41.690 -75.620 1.00 45.01 C ATOM 1108 CE1 PHE A 77 37.112 -43.151 -74.003 1.00 52.12 C ATOM 1109 CE2 PHE A 77 38.873 -41.553 -74.247 1.00 24.15 C ATOM 1110 CZ PHE A 77 38.025 -42.283 -73.437 1.00 62.52 C ATOM 0 H PHE A 77 37.316 -44.349 -79.750 1.00 33.05 H new ATOM 0 HA PHE A 77 39.725 -43.545 -78.227 1.00 44.42 H new ATOM 0 HB2 PHE A 77 38.138 -41.771 -78.158 1.00 62.15 H new ATOM 0 HB3 PHE A 77 36.783 -42.868 -77.984 1.00 62.15 H new ATOM 0 HD1 PHE A 77 36.331 -43.963 -75.816 1.00 12.04 H new ATOM 0 HD2 PHE A 77 39.468 -41.115 -76.248 1.00 45.01 H new ATOM 0 HE1 PHE A 77 36.449 -43.725 -73.373 1.00 52.12 H new ATOM 0 HE2 PHE A 77 39.590 -40.875 -73.807 1.00 24.15 H new ATOM 0 HZ PHE A 77 38.076 -42.175 -72.364 1.00 62.52 H new ATOM 1120 N ARG A 78 39.495 -45.291 -76.465 1.00 51.43 N ATOM 1121 CA ARG A 78 39.469 -46.432 -75.559 1.00 72.41 C ATOM 1122 C ARG A 78 40.117 -46.081 -74.223 1.00 70.11 C ATOM 1123 O ARG A 78 41.114 -45.360 -74.175 1.00 44.13 O ATOM 1124 CB ARG A 78 40.188 -47.627 -76.189 1.00 2.33 C ATOM 1125 CG ARG A 78 41.647 -47.744 -75.779 1.00 21.11 C ATOM 1126 CD ARG A 78 42.454 -48.519 -76.808 1.00 63.25 C ATOM 1127 NE ARG A 78 42.472 -49.952 -76.524 1.00 45.43 N ATOM 1128 CZ ARG A 78 43.156 -50.835 -77.244 1.00 14.03 C ATOM 1129 NH1 ARG A 78 43.873 -50.435 -78.284 1.00 40.53 N ATOM 1130 NH2 ARG A 78 43.122 -52.122 -76.922 1.00 43.13 N ATOM 0 H ARG A 78 40.309 -44.686 -76.358 1.00 51.43 H new ATOM 0 HA ARG A 78 38.427 -46.697 -75.379 1.00 72.41 H new ATOM 0 HB2 ARG A 78 39.666 -48.543 -75.910 1.00 2.33 H new ATOM 0 HB3 ARG A 78 40.130 -47.545 -77.274 1.00 2.33 H new ATOM 0 HG2 ARG A 78 42.073 -46.748 -75.656 1.00 21.11 H new ATOM 0 HG3 ARG A 78 41.715 -48.241 -74.812 1.00 21.11 H new ATOM 0 HD2 ARG A 78 42.033 -48.351 -77.800 1.00 63.25 H new ATOM 0 HD3 ARG A 78 43.476 -48.140 -76.827 1.00 63.25 H new ATOM 0 HE ARG A 78 41.930 -50.293 -75.730 1.00 45.43 H new ATOM 0 HH11 ARG A 78 43.901 -49.447 -78.534 1.00 40.53 H new ATOM 0 HH12 ARG A 78 44.397 -51.116 -78.834 1.00 40.53 H new ATOM 0 HH21 ARG A 78 42.571 -52.433 -76.122 1.00 43.13 H new ATOM 0 HH22 ARG A 78 43.647 -52.800 -77.474 1.00 43.13 H new ATOM 1144 N LEU A 79 39.544 -46.595 -73.140 1.00 53.44 N ATOM 1145 CA LEU A 79 40.065 -46.335 -71.803 1.00 31.13 C ATOM 1146 C LEU A 79 40.204 -47.632 -71.012 1.00 0.24 C ATOM 1147 O LEU A 79 39.236 -48.372 -70.841 1.00 63.31 O ATOM 1148 CB LEU A 79 39.148 -45.365 -71.056 1.00 50.31 C ATOM 1149 CG LEU A 79 39.689 -44.810 -69.738 1.00 40.41 C ATOM 1150 CD1 LEU A 79 39.551 -45.840 -68.628 1.00 63.12 C ATOM 1151 CD2 LEU A 79 41.141 -44.383 -69.895 1.00 63.01 C ATOM 0 H LEU A 79 38.719 -47.194 -73.162 1.00 53.44 H new ATOM 0 HA LEU A 79 41.053 -45.885 -71.906 1.00 31.13 H new ATOM 0 HB2 LEU A 79 38.925 -44.527 -71.716 1.00 50.31 H new ATOM 0 HB3 LEU A 79 38.204 -45.871 -70.854 1.00 50.31 H new ATOM 0 HG LEU A 79 39.101 -43.933 -69.467 1.00 40.41 H new ATOM 0 HD11 LEU A 79 39.941 -45.427 -67.698 1.00 63.12 H new ATOM 0 HD12 LEU A 79 38.500 -46.096 -68.498 1.00 63.12 H new ATOM 0 HD13 LEU A 79 40.113 -46.736 -68.891 1.00 63.12 H new ATOM 0 HD21 LEU A 79 41.509 -43.991 -68.947 1.00 63.01 H new ATOM 0 HD22 LEU A 79 41.743 -45.242 -70.191 1.00 63.01 H new ATOM 0 HD23 LEU A 79 41.212 -43.610 -70.660 1.00 63.01 H new ATOM 1163 N GLU A 80 41.414 -47.898 -70.529 1.00 50.14 N ATOM 1164 CA GLU A 80 41.678 -49.105 -69.755 1.00 4.22 C ATOM 1165 C GLU A 80 42.629 -48.811 -68.598 1.00 20.32 C ATOM 1166 O GLU A 80 43.583 -48.046 -68.742 1.00 35.03 O ATOM 1167 CB GLU A 80 42.270 -50.194 -70.652 1.00 3.20 C ATOM 1168 CG GLU A 80 41.339 -50.636 -71.768 1.00 35.54 C ATOM 1169 CD GLU A 80 42.010 -51.575 -72.751 1.00 45.10 C ATOM 1170 OE1 GLU A 80 42.675 -52.531 -72.299 1.00 2.44 O ATOM 1171 OE2 GLU A 80 41.872 -51.354 -73.972 1.00 42.21 O ATOM 0 H GLU A 80 42.226 -47.294 -70.660 1.00 50.14 H new ATOM 0 HA GLU A 80 40.732 -49.458 -69.345 1.00 4.22 H new ATOM 0 HB2 GLU A 80 43.199 -49.828 -71.089 1.00 3.20 H new ATOM 0 HB3 GLU A 80 42.525 -51.059 -70.039 1.00 3.20 H new ATOM 0 HG2 GLU A 80 40.469 -51.130 -71.336 1.00 35.54 H new ATOM 0 HG3 GLU A 80 40.975 -49.758 -72.301 1.00 35.54 H new ATOM 1178 N VAL A 81 42.361 -49.425 -67.449 1.00 64.25 N ATOM 1179 CA VAL A 81 43.192 -49.231 -66.267 1.00 62.11 C ATOM 1180 C VAL A 81 43.704 -50.563 -65.730 1.00 73.12 C ATOM 1181 O VAL A 81 42.971 -51.552 -65.690 1.00 31.15 O ATOM 1182 CB VAL A 81 42.419 -48.503 -65.151 1.00 62.14 C ATOM 1183 CG1 VAL A 81 41.670 -47.305 -65.715 1.00 20.23 C ATOM 1184 CG2 VAL A 81 41.464 -49.460 -64.454 1.00 1.11 C ATOM 0 H VAL A 81 41.575 -50.061 -67.312 1.00 64.25 H new ATOM 0 HA VAL A 81 44.039 -48.617 -66.573 1.00 62.11 H new ATOM 0 HB VAL A 81 43.135 -48.139 -64.414 1.00 62.14 H new ATOM 0 HG11 VAL A 81 41.130 -46.803 -64.912 1.00 20.23 H new ATOM 0 HG12 VAL A 81 42.380 -46.611 -66.164 1.00 20.23 H new ATOM 0 HG13 VAL A 81 40.963 -47.642 -66.473 1.00 20.23 H new ATOM 0 HG21 VAL A 81 40.926 -48.929 -63.668 1.00 1.11 H new ATOM 0 HG22 VAL A 81 40.752 -49.855 -65.178 1.00 1.11 H new ATOM 0 HG23 VAL A 81 42.029 -50.282 -64.015 1.00 1.11 H new ATOM 1194 N THR A 82 44.967 -50.583 -65.317 1.00 44.35 N ATOM 1195 CA THR A 82 45.578 -51.793 -64.783 1.00 62.21 C ATOM 1196 C THR A 82 46.055 -51.582 -63.351 1.00 34.45 C ATOM 1197 O THR A 82 46.965 -50.794 -63.099 1.00 4.41 O ATOM 1198 CB THR A 82 46.770 -52.249 -65.646 1.00 74.44 C ATOM 1199 OG1 THR A 82 46.344 -52.460 -66.997 1.00 54.12 O ATOM 1200 CG2 THR A 82 47.378 -53.530 -65.096 1.00 32.34 C ATOM 0 H THR A 82 45.587 -49.774 -65.342 1.00 44.35 H new ATOM 0 HA THR A 82 44.811 -52.567 -64.798 1.00 62.21 H new ATOM 0 HB THR A 82 47.528 -51.466 -65.622 1.00 74.44 H new ATOM 0 HG1 THR A 82 47.108 -52.748 -67.540 1.00 54.12 H new ATOM 0 HG21 THR A 82 48.218 -53.832 -65.722 1.00 32.34 H new ATOM 0 HG22 THR A 82 47.727 -53.359 -64.078 1.00 32.34 H new ATOM 0 HG23 THR A 82 46.625 -54.318 -65.094 1.00 32.34 H new ATOM 1208 N SER A 83 45.433 -52.293 -62.415 1.00 24.04 N ATOM 1209 CA SER A 83 45.792 -52.181 -61.006 1.00 25.13 C ATOM 1210 C SER A 83 46.439 -53.470 -60.506 1.00 14.42 C ATOM 1211 O SER A 83 45.761 -54.476 -60.295 1.00 11.54 O ATOM 1212 CB SER A 83 44.555 -51.859 -60.166 1.00 53.23 C ATOM 1213 OG SER A 83 43.516 -51.330 -60.972 1.00 34.21 O ATOM 0 H SER A 83 44.679 -52.952 -62.607 1.00 24.04 H new ATOM 0 HA SER A 83 46.513 -51.370 -60.904 1.00 25.13 H new ATOM 0 HB2 SER A 83 44.207 -52.762 -59.664 1.00 53.23 H new ATOM 0 HB3 SER A 83 44.816 -51.142 -59.387 1.00 53.23 H new ATOM 0 HG SER A 83 43.831 -50.518 -61.421 1.00 34.21 H new ATOM 1219 N ASP A 84 47.753 -53.431 -60.319 1.00 2.32 N ATOM 1220 CA ASP A 84 48.493 -54.594 -59.843 1.00 35.04 C ATOM 1221 C ASP A 84 48.533 -55.685 -60.908 1.00 30.43 C ATOM 1222 O ASP A 84 49.000 -56.796 -60.655 1.00 42.54 O ATOM 1223 CB ASP A 84 47.859 -55.138 -58.561 1.00 43.11 C ATOM 1224 CG ASP A 84 48.804 -55.076 -57.377 1.00 11.20 C ATOM 1225 OD1 ASP A 84 49.547 -54.079 -57.263 1.00 62.02 O ATOM 1226 OD2 ASP A 84 48.801 -56.025 -56.564 1.00 53.55 O ATOM 0 H ASP A 84 48.328 -52.606 -60.490 1.00 2.32 H new ATOM 0 HA ASP A 84 49.515 -54.282 -59.630 1.00 35.04 H new ATOM 0 HB2 ASP A 84 46.959 -54.567 -58.334 1.00 43.11 H new ATOM 0 HB3 ASP A 84 47.550 -56.171 -58.722 1.00 43.11 H new ATOM 1231 N ALA A 85 48.039 -55.362 -62.098 1.00 42.24 N ATOM 1232 CA ALA A 85 48.020 -56.314 -63.202 1.00 12.02 C ATOM 1233 C ALA A 85 47.514 -57.677 -62.742 1.00 21.12 C ATOM 1234 O ALA A 85 48.298 -58.604 -62.537 1.00 33.35 O ATOM 1235 CB ALA A 85 49.407 -56.442 -63.813 1.00 24.34 C ATOM 0 H ALA A 85 47.646 -54.448 -62.323 1.00 42.24 H new ATOM 0 HA ALA A 85 47.334 -55.938 -63.962 1.00 12.02 H new ATOM 0 HB1 ALA A 85 49.378 -57.156 -64.636 1.00 24.34 H new ATOM 0 HB2 ALA A 85 49.731 -55.471 -64.187 1.00 24.34 H new ATOM 0 HB3 ALA A 85 50.108 -56.791 -63.055 1.00 24.34 H new ATOM 1241 N PHE A 86 46.200 -57.792 -62.581 1.00 10.01 N ATOM 1242 CA PHE A 86 45.590 -59.042 -62.143 1.00 73.02 C ATOM 1243 C PHE A 86 44.078 -58.890 -62.006 1.00 33.23 C ATOM 1244 O PHE A 86 43.561 -58.674 -60.909 1.00 53.34 O ATOM 1245 CB PHE A 86 46.192 -59.489 -60.810 1.00 2.35 C ATOM 1246 CG PHE A 86 46.568 -60.942 -60.779 1.00 25.53 C ATOM 1247 CD1 PHE A 86 47.399 -61.477 -61.750 1.00 24.42 C ATOM 1248 CD2 PHE A 86 46.091 -61.774 -59.779 1.00 32.22 C ATOM 1249 CE1 PHE A 86 47.748 -62.815 -61.724 1.00 50.32 C ATOM 1250 CE2 PHE A 86 46.436 -63.112 -59.748 1.00 22.12 C ATOM 1251 CZ PHE A 86 47.265 -63.633 -60.722 1.00 72.33 C ATOM 0 H PHE A 86 45.537 -57.035 -62.747 1.00 10.01 H new ATOM 0 HA PHE A 86 45.795 -59.801 -62.898 1.00 73.02 H new ATOM 0 HB2 PHE A 86 47.077 -58.888 -60.601 1.00 2.35 H new ATOM 0 HB3 PHE A 86 45.476 -59.290 -60.012 1.00 2.35 H new ATOM 0 HD1 PHE A 86 47.779 -60.842 -62.536 1.00 24.42 H new ATOM 0 HD2 PHE A 86 45.442 -61.372 -59.015 1.00 32.22 H new ATOM 0 HE1 PHE A 86 48.397 -63.219 -62.486 1.00 50.32 H new ATOM 0 HE2 PHE A 86 46.058 -63.750 -58.963 1.00 22.12 H new ATOM 0 HZ PHE A 86 47.535 -64.678 -60.700 1.00 72.33 H new ATOM 1261 N LYS A 87 43.373 -59.005 -63.126 1.00 43.35 N ATOM 1262 CA LYS A 87 41.920 -58.881 -63.134 1.00 25.33 C ATOM 1263 C LYS A 87 41.281 -59.934 -62.234 1.00 74.13 C ATOM 1264 O LYS A 87 41.727 -61.080 -62.188 1.00 51.44 O ATOM 1265 CB LYS A 87 41.383 -59.019 -64.560 1.00 64.10 C ATOM 1266 CG LYS A 87 39.910 -59.383 -64.623 1.00 10.43 C ATOM 1267 CD LYS A 87 39.709 -60.888 -64.676 1.00 13.20 C ATOM 1268 CE LYS A 87 39.355 -61.353 -66.080 1.00 61.51 C ATOM 1269 NZ LYS A 87 40.570 -61.662 -66.885 1.00 13.43 N ATOM 0 H LYS A 87 43.785 -59.184 -64.042 1.00 43.35 H new ATOM 0 HA LYS A 87 41.662 -57.894 -62.750 1.00 25.33 H new ATOM 0 HB2 LYS A 87 41.539 -58.080 -65.091 1.00 64.10 H new ATOM 0 HB3 LYS A 87 41.960 -59.781 -65.084 1.00 64.10 H new ATOM 0 HG2 LYS A 87 39.396 -58.977 -63.752 1.00 10.43 H new ATOM 0 HG3 LYS A 87 39.458 -58.924 -65.502 1.00 10.43 H new ATOM 0 HD2 LYS A 87 40.618 -61.390 -64.344 1.00 13.20 H new ATOM 0 HD3 LYS A 87 38.916 -61.175 -63.986 1.00 13.20 H new ATOM 0 HE2 LYS A 87 38.724 -62.240 -66.021 1.00 61.51 H new ATOM 0 HE3 LYS A 87 38.773 -60.580 -66.583 1.00 61.51 H new ATOM 0 HZ1 LYS A 87 40.286 -61.975 -67.835 1.00 13.43 H new ATOM 0 HZ2 LYS A 87 41.161 -60.810 -66.963 1.00 13.43 H new ATOM 0 HZ3 LYS A 87 41.112 -62.417 -66.419 1.00 13.43 H new ATOM 1283 N GLY A 88 40.231 -59.538 -61.521 1.00 54.20 N ATOM 1284 CA GLY A 88 39.546 -60.460 -60.634 1.00 12.21 C ATOM 1285 C GLY A 88 38.129 -60.020 -60.322 1.00 70.44 C ATOM 1286 O GLY A 88 37.212 -60.841 -60.279 1.00 33.33 O ATOM 0 H GLY A 88 39.843 -58.595 -61.542 1.00 54.20 H new ATOM 0 HA2 GLY A 88 39.524 -61.450 -61.090 1.00 12.21 H new ATOM 0 HA3 GLY A 88 40.108 -60.550 -59.704 1.00 12.21 H new ATOM 1290 N LEU A 89 37.949 -58.723 -60.104 1.00 15.44 N ATOM 1291 CA LEU A 89 36.633 -58.175 -59.792 1.00 53.15 C ATOM 1292 C LEU A 89 36.018 -57.505 -61.017 1.00 43.13 C ATOM 1293 O LEU A 89 36.721 -57.155 -61.966 1.00 63.21 O ATOM 1294 CB LEU A 89 36.736 -57.169 -58.645 1.00 14.03 C ATOM 1295 CG LEU A 89 36.788 -57.761 -57.236 1.00 21.21 C ATOM 1296 CD1 LEU A 89 37.608 -56.872 -56.313 1.00 71.55 C ATOM 1297 CD2 LEU A 89 35.383 -57.952 -56.685 1.00 35.30 C ATOM 0 H LEU A 89 38.697 -58.030 -60.137 1.00 15.44 H new ATOM 0 HA LEU A 89 35.987 -58.998 -59.488 1.00 53.15 H new ATOM 0 HB2 LEU A 89 37.631 -56.565 -58.797 1.00 14.03 H new ATOM 0 HB3 LEU A 89 35.882 -56.494 -58.703 1.00 14.03 H new ATOM 0 HG LEU A 89 37.271 -58.737 -57.291 1.00 21.21 H new ATOM 0 HD11 LEU A 89 37.634 -57.309 -55.315 1.00 71.55 H new ATOM 0 HD12 LEU A 89 38.624 -56.787 -56.698 1.00 71.55 H new ATOM 0 HD13 LEU A 89 37.154 -55.882 -56.264 1.00 71.55 H new ATOM 0 HD21 LEU A 89 35.440 -58.374 -55.682 1.00 35.30 H new ATOM 0 HD22 LEU A 89 34.874 -56.989 -56.645 1.00 35.30 H new ATOM 0 HD23 LEU A 89 34.827 -58.630 -57.333 1.00 35.30 H new ATOM 1309 N THR A 90 34.701 -57.327 -60.990 1.00 1.52 N ATOM 1310 CA THR A 90 33.992 -56.697 -62.097 1.00 33.54 C ATOM 1311 C THR A 90 34.740 -55.470 -62.603 1.00 4.01 C ATOM 1312 O THR A 90 35.044 -54.555 -61.836 1.00 24.31 O ATOM 1313 CB THR A 90 32.566 -56.282 -61.687 1.00 21.33 C ATOM 1314 OG1 THR A 90 31.870 -55.742 -62.815 1.00 75.32 O ATOM 1315 CG2 THR A 90 32.603 -55.253 -60.567 1.00 61.11 C ATOM 0 H THR A 90 34.104 -57.610 -60.213 1.00 1.52 H new ATOM 0 HA THR A 90 33.932 -57.437 -62.895 1.00 33.54 H new ATOM 0 HB THR A 90 32.042 -57.168 -61.328 1.00 21.33 H new ATOM 0 HG1 THR A 90 30.915 -55.950 -62.741 1.00 75.32 H new ATOM 0 HG21 THR A 90 31.585 -54.975 -60.294 1.00 61.11 H new ATOM 0 HG22 THR A 90 33.108 -55.678 -59.699 1.00 61.11 H new ATOM 0 HG23 THR A 90 33.143 -54.368 -60.904 1.00 61.11 H new ATOM 1323 N LEU A 91 35.035 -55.455 -63.898 1.00 72.02 N ATOM 1324 CA LEU A 91 35.748 -54.338 -64.508 1.00 1.02 C ATOM 1325 C LEU A 91 34.852 -53.108 -64.605 1.00 53.35 C ATOM 1326 O LEU A 91 35.333 -51.974 -64.603 1.00 74.42 O ATOM 1327 CB LEU A 91 36.252 -54.727 -65.898 1.00 65.45 C ATOM 1328 CG LEU A 91 35.198 -54.781 -67.004 1.00 73.12 C ATOM 1329 CD1 LEU A 91 35.842 -54.576 -68.367 1.00 33.34 C ATOM 1330 CD2 LEU A 91 34.446 -56.104 -66.961 1.00 4.32 C ATOM 0 H LEU A 91 34.791 -56.204 -64.546 1.00 72.02 H new ATOM 0 HA LEU A 91 36.601 -54.094 -63.875 1.00 1.02 H new ATOM 0 HB2 LEU A 91 37.024 -54.017 -66.194 1.00 65.45 H new ATOM 0 HB3 LEU A 91 36.728 -55.705 -65.829 1.00 65.45 H new ATOM 0 HG LEU A 91 34.484 -53.974 -66.838 1.00 73.12 H new ATOM 0 HD11 LEU A 91 35.076 -54.618 -69.141 1.00 33.34 H new ATOM 0 HD12 LEU A 91 36.333 -53.603 -68.395 1.00 33.34 H new ATOM 0 HD13 LEU A 91 36.579 -55.360 -68.543 1.00 33.34 H new ATOM 0 HD21 LEU A 91 33.700 -56.124 -67.755 1.00 4.32 H new ATOM 0 HD22 LEU A 91 35.148 -56.926 -67.101 1.00 4.32 H new ATOM 0 HD23 LEU A 91 33.951 -56.210 -65.996 1.00 4.32 H new ATOM 1342 N VAL A 92 33.545 -53.339 -64.689 1.00 44.22 N ATOM 1343 CA VAL A 92 32.581 -52.250 -64.784 1.00 51.51 C ATOM 1344 C VAL A 92 32.655 -51.342 -63.561 1.00 73.12 C ATOM 1345 O VAL A 92 32.180 -50.206 -63.587 1.00 61.33 O ATOM 1346 CB VAL A 92 31.143 -52.784 -64.927 1.00 43.43 C ATOM 1347 CG1 VAL A 92 31.081 -53.873 -65.987 1.00 44.12 C ATOM 1348 CG2 VAL A 92 30.631 -53.299 -63.591 1.00 2.12 C ATOM 0 H VAL A 92 33.130 -54.271 -64.693 1.00 44.22 H new ATOM 0 HA VAL A 92 32.838 -51.677 -65.675 1.00 51.51 H new ATOM 0 HB VAL A 92 30.499 -51.964 -65.245 1.00 43.43 H new ATOM 0 HG11 VAL A 92 30.058 -54.238 -66.074 1.00 44.12 H new ATOM 0 HG12 VAL A 92 31.404 -53.467 -66.945 1.00 44.12 H new ATOM 0 HG13 VAL A 92 31.737 -54.696 -65.702 1.00 44.12 H new ATOM 0 HG21 VAL A 92 29.614 -53.672 -63.711 1.00 2.12 H new ATOM 0 HG22 VAL A 92 31.275 -54.106 -63.241 1.00 2.12 H new ATOM 0 HG23 VAL A 92 30.637 -52.488 -62.862 1.00 2.12 H new ATOM 1358 N LYS A 93 33.254 -51.850 -62.490 1.00 34.34 N ATOM 1359 CA LYS A 93 33.392 -51.086 -61.256 1.00 24.15 C ATOM 1360 C LYS A 93 34.302 -49.880 -61.462 1.00 44.41 C ATOM 1361 O LYS A 93 33.948 -48.755 -61.109 1.00 14.04 O ATOM 1362 CB LYS A 93 33.950 -51.974 -60.141 1.00 65.54 C ATOM 1363 CG LYS A 93 34.381 -51.203 -58.906 1.00 44.53 C ATOM 1364 CD LYS A 93 35.887 -51.258 -58.711 1.00 43.13 C ATOM 1365 CE LYS A 93 36.266 -52.163 -57.549 1.00 11.43 C ATOM 1366 NZ LYS A 93 36.693 -51.382 -56.355 1.00 0.13 N ATOM 0 H LYS A 93 33.652 -52.788 -62.451 1.00 34.34 H new ATOM 0 HA LYS A 93 32.403 -50.729 -60.967 1.00 24.15 H new ATOM 0 HB2 LYS A 93 33.193 -52.704 -59.857 1.00 65.54 H new ATOM 0 HB3 LYS A 93 34.803 -52.533 -60.526 1.00 65.54 H new ATOM 0 HG2 LYS A 93 34.063 -50.164 -58.995 1.00 44.53 H new ATOM 0 HG3 LYS A 93 33.884 -51.615 -58.027 1.00 44.53 H new ATOM 0 HD2 LYS A 93 36.360 -51.619 -59.624 1.00 43.13 H new ATOM 0 HD3 LYS A 93 36.268 -50.253 -58.530 1.00 43.13 H new ATOM 0 HE2 LYS A 93 35.416 -52.792 -57.286 1.00 11.43 H new ATOM 0 HE3 LYS A 93 37.073 -52.829 -57.855 1.00 11.43 H new ATOM 0 HZ1 LYS A 93 36.943 -52.034 -55.585 1.00 0.13 H new ATOM 0 HZ2 LYS A 93 37.520 -50.800 -56.598 1.00 0.13 H new ATOM 0 HZ3 LYS A 93 35.914 -50.765 -56.047 1.00 0.13 H new ATOM 1380 N ARG A 94 35.476 -50.121 -62.038 1.00 12.24 N ATOM 1381 CA ARG A 94 36.436 -49.054 -62.291 1.00 41.43 C ATOM 1382 C ARG A 94 35.918 -48.099 -63.363 1.00 34.10 C ATOM 1383 O ARG A 94 35.953 -46.880 -63.193 1.00 42.13 O ATOM 1384 CB ARG A 94 37.781 -49.641 -62.724 1.00 11.33 C ATOM 1385 CG ARG A 94 38.591 -50.219 -61.575 1.00 35.42 C ATOM 1386 CD ARG A 94 39.736 -49.300 -61.182 1.00 42.10 C ATOM 1387 NE ARG A 94 39.301 -47.913 -61.038 1.00 73.42 N ATOM 1388 CZ ARG A 94 40.128 -46.906 -60.781 1.00 73.13 C ATOM 1389 NH1 ARG A 94 41.427 -47.130 -60.641 1.00 70.02 N ATOM 1390 NH2 ARG A 94 39.655 -45.672 -60.665 1.00 5.44 N ATOM 0 H ARG A 94 35.784 -51.046 -62.338 1.00 12.24 H new ATOM 0 HA ARG A 94 36.572 -48.495 -61.365 1.00 41.43 H new ATOM 0 HB2 ARG A 94 37.606 -50.423 -63.463 1.00 11.33 H new ATOM 0 HB3 ARG A 94 38.366 -48.863 -63.215 1.00 11.33 H new ATOM 0 HG2 ARG A 94 37.941 -50.380 -60.715 1.00 35.42 H new ATOM 0 HG3 ARG A 94 38.987 -51.193 -61.862 1.00 35.42 H new ATOM 0 HD2 ARG A 94 40.170 -49.643 -60.243 1.00 42.10 H new ATOM 0 HD3 ARG A 94 40.521 -49.357 -61.936 1.00 42.10 H new ATOM 0 HE ARG A 94 38.307 -47.706 -61.140 1.00 73.42 H new ATOM 0 HH11 ARG A 94 41.794 -48.078 -60.731 1.00 70.02 H new ATOM 0 HH12 ARG A 94 42.060 -46.355 -60.444 1.00 70.02 H new ATOM 0 HH21 ARG A 94 38.656 -45.496 -60.773 1.00 5.44 H new ATOM 0 HH22 ARG A 94 40.290 -44.899 -60.468 1.00 5.44 H new ATOM 1404 N HIS A 95 35.437 -48.662 -64.467 1.00 15.01 N ATOM 1405 CA HIS A 95 34.910 -47.861 -65.567 1.00 25.14 C ATOM 1406 C HIS A 95 33.749 -46.990 -65.097 1.00 72.34 C ATOM 1407 O HIS A 95 33.574 -45.867 -65.568 1.00 42.14 O ATOM 1408 CB HIS A 95 34.455 -48.766 -66.712 1.00 12.21 C ATOM 1409 CG HIS A 95 33.506 -48.099 -67.660 1.00 64.55 C ATOM 1410 ND1 HIS A 95 33.715 -46.835 -68.169 1.00 10.20 N ATOM 1411 CD2 HIS A 95 32.340 -48.530 -68.194 1.00 74.34 C ATOM 1412 CE1 HIS A 95 32.717 -46.516 -68.973 1.00 54.12 C ATOM 1413 NE2 HIS A 95 31.869 -47.528 -69.006 1.00 74.04 N ATOM 0 H HIS A 95 35.401 -49.669 -64.624 1.00 15.01 H new ATOM 0 HA HIS A 95 35.707 -47.209 -65.925 1.00 25.14 H new ATOM 0 HB2 HIS A 95 35.330 -49.106 -67.266 1.00 12.21 H new ATOM 0 HB3 HIS A 95 33.977 -49.653 -66.296 1.00 12.21 H new ATOM 0 HD2 HIS A 95 31.868 -49.485 -68.015 1.00 74.34 H new ATOM 0 HE1 HIS A 95 32.612 -45.586 -69.512 1.00 54.12 H new ATOM 0 HE2 HIS A 95 31.005 -47.560 -69.547 1.00 74.04 H new ATOM 1421 N GLN A 96 32.958 -47.517 -64.168 1.00 62.41 N ATOM 1422 CA GLN A 96 31.813 -46.788 -63.637 1.00 73.01 C ATOM 1423 C GLN A 96 32.263 -45.684 -62.687 1.00 4.24 C ATOM 1424 O GLN A 96 31.649 -44.618 -62.620 1.00 62.22 O ATOM 1425 CB GLN A 96 30.863 -47.744 -62.913 1.00 63.42 C ATOM 1426 CG GLN A 96 29.811 -47.038 -62.074 1.00 4.33 C ATOM 1427 CD GLN A 96 28.420 -47.601 -62.287 1.00 10.44 C ATOM 1428 OE1 GLN A 96 27.904 -48.343 -61.451 1.00 74.21 O ATOM 1429 NE2 GLN A 96 27.804 -47.249 -63.409 1.00 63.04 N ATOM 0 H GLN A 96 33.089 -48.446 -63.768 1.00 62.41 H new ATOM 0 HA GLN A 96 31.287 -46.330 -64.474 1.00 73.01 H new ATOM 0 HB2 GLN A 96 30.365 -48.375 -63.649 1.00 63.42 H new ATOM 0 HB3 GLN A 96 31.446 -48.404 -62.270 1.00 63.42 H new ATOM 0 HG2 GLN A 96 30.076 -47.123 -61.020 1.00 4.33 H new ATOM 0 HG3 GLN A 96 29.810 -45.976 -62.318 1.00 4.33 H new ATOM 0 HE21 GLN A 96 28.269 -46.632 -64.074 1.00 63.04 H new ATOM 0 HE22 GLN A 96 26.865 -47.596 -63.606 1.00 63.04 H new ATOM 1438 N LEU A 97 33.339 -45.945 -61.952 1.00 60.11 N ATOM 1439 CA LEU A 97 33.873 -44.973 -61.004 1.00 74.20 C ATOM 1440 C LEU A 97 34.341 -43.712 -61.723 1.00 23.13 C ATOM 1441 O LEU A 97 33.982 -42.598 -61.340 1.00 23.10 O ATOM 1442 CB LEU A 97 35.031 -45.585 -60.215 1.00 4.45 C ATOM 1443 CG LEU A 97 34.644 -46.550 -59.094 1.00 25.12 C ATOM 1444 CD1 LEU A 97 35.822 -47.438 -58.724 1.00 63.41 C ATOM 1445 CD2 LEU A 97 34.150 -45.783 -57.876 1.00 72.01 C ATOM 0 H LEU A 97 33.859 -46.822 -61.994 1.00 60.11 H new ATOM 0 HA LEU A 97 33.076 -44.699 -60.313 1.00 74.20 H new ATOM 0 HB2 LEU A 97 35.681 -46.113 -60.913 1.00 4.45 H new ATOM 0 HB3 LEU A 97 35.618 -44.775 -59.783 1.00 4.45 H new ATOM 0 HG LEU A 97 33.834 -47.185 -59.452 1.00 25.12 H new ATOM 0 HD11 LEU A 97 35.528 -48.118 -57.925 1.00 63.41 H new ATOM 0 HD12 LEU A 97 36.131 -48.015 -59.596 1.00 63.41 H new ATOM 0 HD13 LEU A 97 36.653 -46.818 -58.386 1.00 63.41 H new ATOM 0 HD21 LEU A 97 33.879 -46.486 -57.088 1.00 72.01 H new ATOM 0 HD22 LEU A 97 34.939 -45.123 -57.517 1.00 72.01 H new ATOM 0 HD23 LEU A 97 33.277 -45.190 -58.149 1.00 72.01 H new ATOM 1457 N ILE A 98 35.143 -43.896 -62.766 1.00 51.54 N ATOM 1458 CA ILE A 98 35.657 -42.773 -63.540 1.00 44.34 C ATOM 1459 C ILE A 98 34.631 -42.293 -64.561 1.00 45.43 C ATOM 1460 O ILE A 98 34.570 -41.106 -64.884 1.00 14.11 O ATOM 1461 CB ILE A 98 36.960 -43.144 -64.274 1.00 33.22 C ATOM 1462 CG1 ILE A 98 36.717 -44.316 -65.227 1.00 63.12 C ATOM 1463 CG2 ILE A 98 38.053 -43.487 -63.272 1.00 55.42 C ATOM 1464 CD1 ILE A 98 37.961 -44.763 -65.964 1.00 34.02 C ATOM 0 H ILE A 98 35.451 -44.811 -63.094 1.00 51.54 H new ATOM 0 HA ILE A 98 35.864 -41.971 -62.832 1.00 44.34 H new ATOM 0 HB ILE A 98 37.288 -42.285 -64.860 1.00 33.22 H new ATOM 0 HG12 ILE A 98 36.318 -45.157 -64.661 1.00 63.12 H new ATOM 0 HG13 ILE A 98 35.956 -44.031 -65.954 1.00 63.12 H new ATOM 0 HG21 ILE A 98 38.967 -43.747 -63.806 1.00 55.42 H new ATOM 0 HG22 ILE A 98 38.240 -42.627 -62.629 1.00 55.42 H new ATOM 0 HG23 ILE A 98 37.735 -44.333 -62.663 1.00 55.42 H new ATOM 0 HD11 ILE A 98 37.715 -45.597 -66.621 1.00 34.02 H new ATOM 0 HD12 ILE A 98 38.349 -43.935 -66.558 1.00 34.02 H new ATOM 0 HD13 ILE A 98 38.716 -45.079 -65.245 1.00 34.02 H new ATOM 1476 N TYR A 99 33.827 -43.222 -65.065 1.00 41.21 N ATOM 1477 CA TYR A 99 32.803 -42.894 -66.050 1.00 63.02 C ATOM 1478 C TYR A 99 33.315 -41.855 -67.043 1.00 65.11 C ATOM 1479 O TYR A 99 32.597 -40.928 -67.415 1.00 62.22 O ATOM 1480 CB TYR A 99 31.544 -42.374 -65.355 1.00 3.35 C ATOM 1481 CG TYR A 99 31.801 -41.200 -64.437 1.00 11.30 C ATOM 1482 CD1 TYR A 99 32.128 -41.395 -63.101 1.00 30.11 C ATOM 1483 CD2 TYR A 99 31.717 -39.895 -64.907 1.00 1.43 C ATOM 1484 CE1 TYR A 99 32.362 -40.325 -62.259 1.00 63.20 C ATOM 1485 CE2 TYR A 99 31.951 -38.819 -64.072 1.00 43.34 C ATOM 1486 CZ TYR A 99 32.273 -39.039 -62.749 1.00 60.14 C ATOM 1487 OH TYR A 99 32.507 -37.971 -61.914 1.00 42.23 O ATOM 0 H TYR A 99 33.864 -44.208 -64.808 1.00 41.21 H new ATOM 0 HA TYR A 99 32.558 -43.804 -66.598 1.00 63.02 H new ATOM 0 HB2 TYR A 99 30.816 -42.081 -66.112 1.00 3.35 H new ATOM 0 HB3 TYR A 99 31.096 -43.184 -64.779 1.00 3.35 H new ATOM 0 HD1 TYR A 99 32.201 -42.401 -62.714 1.00 30.11 H new ATOM 0 HD2 TYR A 99 31.465 -39.719 -65.942 1.00 1.43 H new ATOM 0 HE1 TYR A 99 32.613 -40.495 -61.222 1.00 63.20 H new ATOM 0 HE2 TYR A 99 31.882 -37.811 -64.453 1.00 43.34 H new ATOM 0 HH TYR A 99 32.405 -37.135 -62.415 1.00 42.23 H new ATOM 1497 N GLY A 100 34.564 -42.018 -67.469 1.00 64.32 N ATOM 1498 CA GLY A 100 35.153 -41.089 -68.415 1.00 51.54 C ATOM 1499 C GLY A 100 34.798 -41.420 -69.851 1.00 54.12 C ATOM 1500 O GLY A 100 34.675 -40.527 -70.690 1.00 53.44 O ATOM 0 H GLY A 100 35.178 -42.777 -67.175 1.00 64.32 H new ATOM 0 HA2 GLY A 100 34.816 -40.078 -68.185 1.00 51.54 H new ATOM 0 HA3 GLY A 100 36.237 -41.098 -68.301 1.00 51.54 H new ATOM 1504 N LEU A 101 34.633 -42.707 -70.136 1.00 44.03 N ATOM 1505 CA LEU A 101 34.292 -43.155 -71.482 1.00 15.01 C ATOM 1506 C LEU A 101 33.086 -42.391 -72.020 1.00 72.42 C ATOM 1507 O LEU A 101 32.325 -41.794 -71.258 1.00 34.33 O ATOM 1508 CB LEU A 101 34.000 -44.657 -71.482 1.00 41.30 C ATOM 1509 CG LEU A 101 34.621 -45.461 -72.625 1.00 11.31 C ATOM 1510 CD1 LEU A 101 35.982 -46.003 -72.218 1.00 62.11 C ATOM 1511 CD2 LEU A 101 33.696 -46.595 -73.043 1.00 2.31 C ATOM 0 H LEU A 101 34.730 -43.459 -69.453 1.00 44.03 H new ATOM 0 HA LEU A 101 35.144 -42.957 -72.132 1.00 15.01 H new ATOM 0 HB2 LEU A 101 34.350 -45.075 -70.538 1.00 41.30 H new ATOM 0 HB3 LEU A 101 32.919 -44.797 -71.511 1.00 41.30 H new ATOM 0 HG LEU A 101 34.758 -44.797 -73.479 1.00 11.31 H new ATOM 0 HD11 LEU A 101 36.409 -46.572 -73.044 1.00 62.11 H new ATOM 0 HD12 LEU A 101 36.644 -45.174 -71.969 1.00 62.11 H new ATOM 0 HD13 LEU A 101 35.870 -46.652 -71.349 1.00 62.11 H new ATOM 0 HD21 LEU A 101 34.154 -47.157 -73.857 1.00 2.31 H new ATOM 0 HD22 LEU A 101 33.527 -47.258 -72.195 1.00 2.31 H new ATOM 0 HD23 LEU A 101 32.744 -46.183 -73.377 1.00 2.31 H new ATOM 1523 N LEU A 102 32.917 -42.416 -73.338 1.00 35.25 N ATOM 1524 CA LEU A 102 31.801 -41.728 -73.979 1.00 24.03 C ATOM 1525 C LEU A 102 31.898 -40.220 -73.768 1.00 65.44 C ATOM 1526 O LEU A 102 31.390 -39.687 -72.783 1.00 32.05 O ATOM 1527 CB LEU A 102 30.472 -42.247 -73.428 1.00 12.31 C ATOM 1528 CG LEU A 102 29.237 -41.973 -74.287 1.00 11.41 C ATOM 1529 CD1 LEU A 102 28.974 -43.136 -75.230 1.00 72.12 C ATOM 1530 CD2 LEU A 102 28.023 -41.712 -73.407 1.00 52.44 C ATOM 0 H LEU A 102 33.538 -42.905 -73.983 1.00 35.25 H new ATOM 0 HA LEU A 102 31.847 -41.931 -75.049 1.00 24.03 H new ATOM 0 HB2 LEU A 102 30.557 -43.324 -73.283 1.00 12.31 H new ATOM 0 HB3 LEU A 102 30.312 -41.805 -72.445 1.00 12.31 H new ATOM 0 HG LEU A 102 29.425 -41.082 -74.886 1.00 11.41 H new ATOM 0 HD11 LEU A 102 28.091 -42.923 -75.833 1.00 72.12 H new ATOM 0 HD12 LEU A 102 29.835 -43.276 -75.884 1.00 72.12 H new ATOM 0 HD13 LEU A 102 28.807 -44.044 -74.650 1.00 72.12 H new ATOM 0 HD21 LEU A 102 27.153 -41.519 -74.035 1.00 52.44 H new ATOM 0 HD22 LEU A 102 27.833 -42.584 -72.782 1.00 52.44 H new ATOM 0 HD23 LEU A 102 28.212 -40.846 -72.773 1.00 52.44 H new ATOM 1542 N SER A 103 32.553 -39.539 -74.703 1.00 3.30 N ATOM 1543 CA SER A 103 32.718 -38.092 -74.619 1.00 64.34 C ATOM 1544 C SER A 103 33.361 -37.545 -75.890 1.00 4.40 C ATOM 1545 O SER A 103 32.694 -36.930 -76.722 1.00 15.14 O ATOM 1546 CB SER A 103 33.571 -37.724 -73.403 1.00 72.44 C ATOM 1547 OG SER A 103 32.770 -37.196 -72.360 1.00 62.23 O ATOM 0 H SER A 103 32.978 -39.965 -75.527 1.00 3.30 H new ATOM 0 HA SER A 103 31.730 -37.644 -74.510 1.00 64.34 H new ATOM 0 HB2 SER A 103 34.102 -38.607 -73.047 1.00 72.44 H new ATOM 0 HB3 SER A 103 34.326 -36.993 -73.692 1.00 72.44 H new ATOM 0 HG SER A 103 32.042 -37.820 -72.159 1.00 62.23 H new ATOM 1553 N ASP A 104 34.662 -37.772 -76.032 1.00 64.43 N ATOM 1554 CA ASP A 104 35.397 -37.303 -77.201 1.00 63.54 C ATOM 1555 C ASP A 104 35.033 -38.122 -78.436 1.00 43.33 C ATOM 1556 O ASP A 104 34.877 -37.577 -79.529 1.00 21.43 O ATOM 1557 CB ASP A 104 36.904 -37.381 -76.948 1.00 73.44 C ATOM 1558 CG ASP A 104 37.707 -36.651 -78.006 1.00 50.32 C ATOM 1559 OD1 ASP A 104 37.368 -36.778 -79.201 1.00 53.41 O ATOM 1560 OD2 ASP A 104 38.676 -35.952 -77.639 1.00 75.53 O ATOM 0 H ASP A 104 35.230 -38.278 -75.352 1.00 64.43 H new ATOM 0 HA ASP A 104 35.120 -36.264 -77.381 1.00 63.54 H new ATOM 0 HB2 ASP A 104 37.128 -36.957 -75.969 1.00 73.44 H new ATOM 0 HB3 ASP A 104 37.211 -38.426 -76.920 1.00 73.44 H new ATOM 1565 N GLU A 105 34.901 -39.432 -78.254 1.00 41.11 N ATOM 1566 CA GLU A 105 34.558 -40.325 -79.355 1.00 14.34 C ATOM 1567 C GLU A 105 33.293 -39.851 -80.065 1.00 52.00 C ATOM 1568 O GLU A 105 33.134 -40.047 -81.270 1.00 73.20 O ATOM 1569 CB GLU A 105 34.362 -41.753 -78.840 1.00 45.45 C ATOM 1570 CG GLU A 105 32.950 -42.038 -78.359 1.00 20.41 C ATOM 1571 CD GLU A 105 32.882 -43.234 -77.428 1.00 54.34 C ATOM 1572 OE1 GLU A 105 33.378 -43.126 -76.287 1.00 52.43 O ATOM 1573 OE2 GLU A 105 32.333 -44.277 -77.841 1.00 14.33 O ATOM 0 H GLU A 105 35.026 -39.898 -77.356 1.00 41.11 H new ATOM 0 HA GLU A 105 35.381 -40.313 -80.069 1.00 14.34 H new ATOM 0 HB2 GLU A 105 34.615 -42.455 -79.635 1.00 45.45 H new ATOM 0 HB3 GLU A 105 35.059 -41.934 -78.022 1.00 45.45 H new ATOM 0 HG2 GLU A 105 32.561 -41.159 -77.845 1.00 20.41 H new ATOM 0 HG3 GLU A 105 32.305 -42.215 -79.220 1.00 20.41 H new ATOM 1580 N PHE A 106 32.396 -39.227 -79.309 1.00 55.34 N ATOM 1581 CA PHE A 106 31.144 -38.726 -79.865 1.00 53.01 C ATOM 1582 C PHE A 106 31.404 -37.607 -80.869 1.00 14.40 C ATOM 1583 O PHE A 106 30.753 -37.528 -81.911 1.00 41.04 O ATOM 1584 CB PHE A 106 30.230 -38.221 -78.746 1.00 63.03 C ATOM 1585 CG PHE A 106 28.846 -38.802 -78.794 1.00 61.32 C ATOM 1586 CD1 PHE A 106 28.640 -40.155 -78.574 1.00 3.43 C ATOM 1587 CD2 PHE A 106 27.751 -37.996 -79.060 1.00 71.45 C ATOM 1588 CE1 PHE A 106 27.368 -40.693 -78.617 1.00 12.33 C ATOM 1589 CE2 PHE A 106 26.476 -38.529 -79.104 1.00 42.33 C ATOM 1590 CZ PHE A 106 26.285 -39.879 -78.883 1.00 55.44 C ATOM 0 H PHE A 106 32.512 -39.056 -78.310 1.00 55.34 H new ATOM 0 HA PHE A 106 30.651 -39.548 -80.384 1.00 53.01 H new ATOM 0 HB2 PHE A 106 30.682 -38.459 -77.783 1.00 63.03 H new ATOM 0 HB3 PHE A 106 30.162 -37.135 -78.806 1.00 63.03 H new ATOM 0 HD1 PHE A 106 29.484 -40.796 -78.366 1.00 3.43 H new ATOM 0 HD2 PHE A 106 27.895 -36.940 -79.235 1.00 71.45 H new ATOM 0 HE1 PHE A 106 27.221 -41.749 -78.443 1.00 12.33 H new ATOM 0 HE2 PHE A 106 25.630 -37.890 -79.311 1.00 42.33 H new ATOM 0 HZ PHE A 106 25.290 -40.297 -78.918 1.00 55.44 H new ATOM 1600 N LYS A 107 32.359 -36.741 -80.547 1.00 21.32 N ATOM 1601 CA LYS A 107 32.707 -35.626 -81.419 1.00 4.33 C ATOM 1602 C LYS A 107 33.165 -36.125 -82.785 1.00 73.54 C ATOM 1603 O LYS A 107 33.144 -35.383 -83.767 1.00 20.32 O ATOM 1604 CB LYS A 107 33.809 -34.777 -80.780 1.00 13.33 C ATOM 1605 CG LYS A 107 34.427 -33.767 -81.731 1.00 1.34 C ATOM 1606 CD LYS A 107 35.002 -32.576 -80.982 1.00 42.24 C ATOM 1607 CE LYS A 107 36.314 -32.928 -80.298 1.00 32.33 C ATOM 1608 NZ LYS A 107 37.118 -31.715 -79.981 1.00 33.30 N ATOM 0 H LYS A 107 32.906 -36.790 -79.688 1.00 21.32 H new ATOM 0 HA LYS A 107 31.816 -35.013 -81.555 1.00 4.33 H new ATOM 0 HB2 LYS A 107 33.397 -34.249 -79.920 1.00 13.33 H new ATOM 0 HB3 LYS A 107 34.592 -35.436 -80.404 1.00 13.33 H new ATOM 0 HG2 LYS A 107 35.214 -34.247 -82.312 1.00 1.34 H new ATOM 0 HG3 LYS A 107 33.673 -33.423 -82.439 1.00 1.34 H new ATOM 0 HD2 LYS A 107 35.162 -31.751 -81.676 1.00 42.24 H new ATOM 0 HD3 LYS A 107 34.284 -32.231 -80.238 1.00 42.24 H new ATOM 0 HE2 LYS A 107 36.108 -33.478 -79.379 1.00 32.33 H new ATOM 0 HE3 LYS A 107 36.893 -33.589 -80.942 1.00 32.33 H new ATOM 0 HZ1 LYS A 107 38.004 -31.998 -79.516 1.00 33.30 H new ATOM 0 HZ2 LYS A 107 37.336 -31.204 -80.860 1.00 33.30 H new ATOM 0 HZ3 LYS A 107 36.576 -31.095 -79.346 1.00 33.30 H new ATOM 1622 N ALA A 108 33.576 -37.388 -82.842 1.00 33.15 N ATOM 1623 CA ALA A 108 34.034 -37.987 -84.089 1.00 23.45 C ATOM 1624 C ALA A 108 32.956 -38.876 -84.700 1.00 2.13 C ATOM 1625 O ALA A 108 32.775 -38.901 -85.916 1.00 72.12 O ATOM 1626 CB ALA A 108 35.308 -38.786 -83.853 1.00 41.33 C ATOM 0 H ALA A 108 33.601 -38.016 -82.039 1.00 33.15 H new ATOM 0 HA ALA A 108 34.247 -37.183 -84.793 1.00 23.45 H new ATOM 0 HB1 ALA A 108 35.639 -39.228 -84.793 1.00 41.33 H new ATOM 0 HB2 ALA A 108 36.085 -38.126 -83.468 1.00 41.33 H new ATOM 0 HB3 ALA A 108 35.113 -39.577 -83.129 1.00 41.33 H new ATOM 1632 N GLY A 109 32.243 -39.605 -83.847 1.00 32.22 N ATOM 1633 CA GLY A 109 31.192 -40.486 -84.322 1.00 50.13 C ATOM 1634 C GLY A 109 31.601 -41.945 -84.294 1.00 25.11 C ATOM 1635 O GLY A 109 30.998 -42.780 -84.969 1.00 65.23 O ATOM 0 H GLY A 109 32.374 -39.601 -82.836 1.00 32.22 H new ATOM 0 HA2 GLY A 109 30.302 -40.350 -83.707 1.00 50.13 H new ATOM 0 HA3 GLY A 109 30.921 -40.207 -85.340 1.00 50.13 H new ATOM 1639 N LEU A 110 32.630 -42.254 -83.512 1.00 60.00 N ATOM 1640 CA LEU A 110 33.121 -43.623 -83.399 1.00 63.03 C ATOM 1641 C LEU A 110 32.906 -44.164 -81.990 1.00 24.34 C ATOM 1642 O LEU A 110 33.094 -43.450 -81.004 1.00 34.42 O ATOM 1643 CB LEU A 110 34.606 -43.684 -83.760 1.00 65.25 C ATOM 1644 CG LEU A 110 34.988 -43.122 -85.130 1.00 52.42 C ATOM 1645 CD1 LEU A 110 33.948 -43.503 -86.172 1.00 60.13 C ATOM 1646 CD2 LEU A 110 35.146 -41.610 -85.061 1.00 10.34 C ATOM 0 H LEU A 110 33.140 -41.575 -82.947 1.00 60.00 H new ATOM 0 HA LEU A 110 32.558 -44.244 -84.096 1.00 63.03 H new ATOM 0 HB2 LEU A 110 35.167 -43.142 -82.998 1.00 65.25 H new ATOM 0 HB3 LEU A 110 34.928 -44.724 -83.714 1.00 65.25 H new ATOM 0 HG LEU A 110 35.944 -43.555 -85.425 1.00 52.42 H new ATOM 0 HD11 LEU A 110 34.237 -43.094 -87.140 1.00 60.13 H new ATOM 0 HD12 LEU A 110 33.883 -44.589 -86.241 1.00 60.13 H new ATOM 0 HD13 LEU A 110 32.978 -43.099 -85.882 1.00 60.13 H new ATOM 0 HD21 LEU A 110 35.418 -41.227 -86.045 1.00 10.34 H new ATOM 0 HD22 LEU A 110 34.205 -41.160 -84.744 1.00 10.34 H new ATOM 0 HD23 LEU A 110 35.928 -41.358 -84.345 1.00 10.34 H new ATOM 1658 N HIS A 111 32.514 -45.431 -81.901 1.00 61.41 N ATOM 1659 CA HIS A 111 32.277 -46.070 -80.611 1.00 54.23 C ATOM 1660 C HIS A 111 33.542 -46.059 -79.758 1.00 54.24 C ATOM 1661 O HIS A 111 34.521 -45.392 -80.092 1.00 72.21 O ATOM 1662 CB HIS A 111 31.795 -47.507 -80.811 1.00 73.00 C ATOM 1663 CG HIS A 111 30.536 -47.826 -80.064 1.00 24.21 C ATOM 1664 ND1 HIS A 111 30.473 -48.778 -79.068 1.00 3.42 N ATOM 1665 CD2 HIS A 111 29.289 -47.312 -80.171 1.00 73.50 C ATOM 1666 CE1 HIS A 111 29.241 -48.837 -78.596 1.00 11.31 C ATOM 1667 NE2 HIS A 111 28.502 -47.957 -79.248 1.00 63.12 N ATOM 0 H HIS A 111 32.354 -46.036 -82.707 1.00 61.41 H new ATOM 0 HA HIS A 111 31.504 -45.505 -80.090 1.00 54.23 H new ATOM 0 HB2 HIS A 111 31.631 -47.682 -81.874 1.00 73.00 H new ATOM 0 HB3 HIS A 111 32.580 -48.193 -80.493 1.00 73.00 H new ATOM 0 HD2 HIS A 111 28.971 -46.539 -80.855 1.00 73.50 H new ATOM 0 HE1 HIS A 111 28.896 -49.493 -77.811 1.00 11.31 H new ATOM 0 HE2 HIS A 111 27.509 -47.785 -79.092 1.00 63.12 H new ATOM 1675 N ALA A 112 33.513 -46.801 -78.656 1.00 52.41 N ATOM 1676 CA ALA A 112 34.657 -46.877 -77.757 1.00 1.15 C ATOM 1677 C ALA A 112 34.613 -48.151 -76.919 1.00 44.25 C ATOM 1678 O ALA A 112 33.563 -48.779 -76.781 1.00 21.12 O ATOM 1679 CB ALA A 112 34.702 -45.652 -76.855 1.00 43.01 C ATOM 0 H ALA A 112 32.710 -47.358 -78.365 1.00 52.41 H new ATOM 0 HA ALA A 112 35.563 -46.902 -78.363 1.00 1.15 H new ATOM 0 HB1 ALA A 112 35.562 -45.722 -76.189 1.00 43.01 H new ATOM 0 HB2 ALA A 112 34.789 -44.753 -77.466 1.00 43.01 H new ATOM 0 HB3 ALA A 112 33.788 -45.602 -76.264 1.00 43.01 H new ATOM 1685 N LEU A 113 35.760 -48.527 -76.364 1.00 33.42 N ATOM 1686 CA LEU A 113 35.853 -49.728 -75.540 1.00 54.11 C ATOM 1687 C LEU A 113 36.449 -49.406 -74.174 1.00 1.13 C ATOM 1688 O LEU A 113 37.243 -48.476 -74.036 1.00 23.13 O ATOM 1689 CB LEU A 113 36.702 -50.788 -76.243 1.00 61.11 C ATOM 1690 CG LEU A 113 37.906 -50.270 -77.030 1.00 4.21 C ATOM 1691 CD1 LEU A 113 39.169 -51.014 -76.625 1.00 21.31 C ATOM 1692 CD2 LEU A 113 37.663 -50.403 -78.526 1.00 42.02 C ATOM 0 H LEU A 113 36.638 -48.018 -76.469 1.00 33.42 H new ATOM 0 HA LEU A 113 34.846 -50.117 -75.393 1.00 54.11 H new ATOM 0 HB2 LEU A 113 37.060 -51.494 -75.493 1.00 61.11 H new ATOM 0 HB3 LEU A 113 36.060 -51.345 -76.925 1.00 61.11 H new ATOM 0 HG LEU A 113 38.041 -49.214 -76.797 1.00 4.21 H new ATOM 0 HD11 LEU A 113 40.015 -50.632 -77.196 1.00 21.31 H new ATOM 0 HD12 LEU A 113 39.353 -50.867 -75.561 1.00 21.31 H new ATOM 0 HD13 LEU A 113 39.046 -52.078 -76.828 1.00 21.31 H new ATOM 0 HD21 LEU A 113 38.530 -50.029 -79.070 1.00 42.02 H new ATOM 0 HD22 LEU A 113 37.501 -51.451 -78.777 1.00 42.02 H new ATOM 0 HD23 LEU A 113 36.783 -49.824 -78.805 1.00 42.02 H new ATOM 1704 N ALA A 114 36.062 -50.182 -73.167 1.00 20.31 N ATOM 1705 CA ALA A 114 36.562 -49.983 -71.812 1.00 53.43 C ATOM 1706 C ALA A 114 36.919 -51.312 -71.157 1.00 72.52 C ATOM 1707 O ALA A 114 36.111 -52.241 -71.136 1.00 4.02 O ATOM 1708 CB ALA A 114 35.532 -49.239 -70.974 1.00 43.24 C ATOM 0 H ALA A 114 35.403 -50.955 -73.264 1.00 20.31 H new ATOM 0 HA ALA A 114 37.470 -49.382 -71.871 1.00 53.43 H new ATOM 0 HB1 ALA A 114 35.918 -49.097 -69.965 1.00 43.24 H new ATOM 0 HB2 ALA A 114 35.329 -48.268 -71.425 1.00 43.24 H new ATOM 0 HB3 ALA A 114 34.610 -49.819 -70.932 1.00 43.24 H new ATOM 1714 N MET A 115 38.133 -51.397 -70.624 1.00 64.14 N ATOM 1715 CA MET A 115 38.597 -52.614 -69.968 1.00 75.31 C ATOM 1716 C MET A 115 39.447 -52.283 -68.746 1.00 31.01 C ATOM 1717 O MET A 115 40.493 -51.643 -68.859 1.00 11.20 O ATOM 1718 CB MET A 115 39.401 -53.472 -70.946 1.00 61.25 C ATOM 1719 CG MET A 115 38.893 -53.401 -72.377 1.00 52.13 C ATOM 1720 SD MET A 115 39.330 -54.860 -73.343 1.00 54.40 S ATOM 1721 CE MET A 115 38.790 -54.359 -74.976 1.00 13.22 C ATOM 0 H MET A 115 38.814 -50.637 -70.633 1.00 64.14 H new ATOM 0 HA MET A 115 37.722 -53.175 -69.639 1.00 75.31 H new ATOM 0 HB2 MET A 115 40.443 -53.154 -70.923 1.00 61.25 H new ATOM 0 HB3 MET A 115 39.377 -54.509 -70.612 1.00 61.25 H new ATOM 0 HG2 MET A 115 37.809 -53.287 -72.368 1.00 52.13 H new ATOM 0 HG3 MET A 115 39.303 -52.514 -72.860 1.00 52.13 H new ATOM 0 HE1 MET A 115 38.421 -55.228 -75.520 1.00 13.22 H new ATOM 0 HE2 MET A 115 37.992 -53.622 -74.885 1.00 13.22 H new ATOM 0 HE3 MET A 115 39.628 -53.921 -75.518 1.00 13.22 H new ATOM 1731 N THR A 116 38.992 -52.723 -67.577 1.00 13.43 N ATOM 1732 CA THR A 116 39.710 -52.472 -66.334 1.00 13.54 C ATOM 1733 C THR A 116 40.080 -53.777 -65.639 1.00 72.11 C ATOM 1734 O THR A 116 39.222 -54.625 -65.390 1.00 64.41 O ATOM 1735 CB THR A 116 38.876 -51.608 -65.368 1.00 44.11 C ATOM 1736 OG1 THR A 116 37.890 -52.415 -64.715 1.00 64.42 O ATOM 1737 CG2 THR A 116 38.195 -50.469 -66.112 1.00 1.15 C ATOM 0 H THR A 116 38.129 -53.255 -67.465 1.00 13.43 H new ATOM 0 HA THR A 116 40.620 -51.934 -66.598 1.00 13.54 H new ATOM 0 HB THR A 116 39.548 -51.184 -64.623 1.00 44.11 H new ATOM 0 HG1 THR A 116 37.025 -51.955 -64.736 1.00 64.42 H new ATOM 0 HG21 THR A 116 37.612 -49.873 -65.410 1.00 1.15 H new ATOM 0 HG22 THR A 116 38.950 -49.839 -66.583 1.00 1.15 H new ATOM 0 HG23 THR A 116 37.534 -50.878 -66.877 1.00 1.15 H new ATOM 1745 N THR A 117 41.363 -53.933 -65.327 1.00 33.20 N ATOM 1746 CA THR A 117 41.846 -55.136 -64.661 1.00 44.02 C ATOM 1747 C THR A 117 42.500 -54.800 -63.325 1.00 73.15 C ATOM 1748 O THR A 117 43.583 -54.216 -63.281 1.00 73.23 O ATOM 1749 CB THR A 117 42.860 -55.895 -65.539 1.00 14.12 C ATOM 1750 OG1 THR A 117 43.606 -56.818 -64.738 1.00 71.54 O ATOM 1751 CG2 THR A 117 43.811 -54.928 -66.226 1.00 44.33 C ATOM 0 H THR A 117 42.086 -53.241 -65.525 1.00 33.20 H new ATOM 0 HA THR A 117 40.978 -55.772 -64.488 1.00 44.02 H new ATOM 0 HB THR A 117 42.308 -56.441 -66.304 1.00 14.12 H new ATOM 0 HG1 THR A 117 44.247 -57.298 -65.303 1.00 71.54 H new ATOM 0 HG21 THR A 117 44.517 -55.487 -66.840 1.00 44.33 H new ATOM 0 HG22 THR A 117 43.242 -54.245 -66.857 1.00 44.33 H new ATOM 0 HG23 THR A 117 44.356 -54.358 -65.474 1.00 44.33 H new ATOM 1759 N LYS A 118 41.835 -55.173 -62.237 1.00 2.21 N ATOM 1760 CA LYS A 118 42.352 -54.913 -60.898 1.00 74.23 C ATOM 1761 C LYS A 118 42.257 -56.162 -60.027 1.00 13.41 C ATOM 1762 O LYS A 118 41.325 -56.956 -60.161 1.00 23.11 O ATOM 1763 CB LYS A 118 41.581 -53.763 -60.246 1.00 74.30 C ATOM 1764 CG LYS A 118 41.915 -53.562 -58.778 1.00 71.41 C ATOM 1765 CD LYS A 118 40.907 -54.256 -57.877 1.00 25.43 C ATOM 1766 CE LYS A 118 39.565 -53.541 -57.887 1.00 21.22 C ATOM 1767 NZ LYS A 118 39.349 -52.749 -56.645 1.00 5.24 N ATOM 0 H LYS A 118 40.937 -55.656 -62.256 1.00 2.21 H new ATOM 0 HA LYS A 118 43.402 -54.633 -60.988 1.00 74.23 H new ATOM 0 HB2 LYS A 118 41.793 -52.841 -60.788 1.00 74.30 H new ATOM 0 HB3 LYS A 118 40.512 -53.952 -60.344 1.00 74.30 H new ATOM 0 HG2 LYS A 118 42.913 -53.949 -58.575 1.00 71.41 H new ATOM 0 HG3 LYS A 118 41.934 -52.496 -58.551 1.00 71.41 H new ATOM 0 HD2 LYS A 118 40.774 -55.287 -58.205 1.00 25.43 H new ATOM 0 HD3 LYS A 118 41.293 -54.293 -56.858 1.00 25.43 H new ATOM 0 HE2 LYS A 118 39.512 -52.881 -58.753 1.00 21.22 H new ATOM 0 HE3 LYS A 118 38.764 -54.273 -57.995 1.00 21.22 H new ATOM 0 HZ1 LYS A 118 38.519 -53.117 -56.139 1.00 5.24 H new ATOM 0 HZ2 LYS A 118 40.188 -52.824 -56.035 1.00 5.24 H new ATOM 0 HZ3 LYS A 118 39.189 -51.752 -56.893 1.00 5.24 H new ATOM 1781 N THR A 119 43.226 -56.329 -59.132 1.00 52.53 N ATOM 1782 CA THR A 119 43.251 -57.480 -58.239 1.00 2.32 C ATOM 1783 C THR A 119 42.389 -57.237 -57.005 1.00 61.42 C ATOM 1784 O THR A 119 42.456 -56.186 -56.369 1.00 14.35 O ATOM 1785 CB THR A 119 44.687 -57.811 -57.791 1.00 21.34 C ATOM 1786 OG1 THR A 119 45.623 -57.377 -58.784 1.00 30.04 O ATOM 1787 CG2 THR A 119 44.849 -59.305 -57.553 1.00 75.23 C ATOM 0 H THR A 119 44.004 -55.681 -59.007 1.00 52.53 H new ATOM 0 HA THR A 119 42.849 -58.324 -58.799 1.00 2.32 H new ATOM 0 HB THR A 119 44.882 -57.287 -56.855 1.00 21.34 H new ATOM 0 HG1 THR A 119 46.449 -57.898 -58.704 1.00 30.04 H new ATOM 0 HG21 THR A 119 45.871 -59.514 -57.238 1.00 75.23 H new ATOM 0 HG22 THR A 119 44.156 -59.627 -56.776 1.00 75.23 H new ATOM 0 HG23 THR A 119 44.636 -59.846 -58.475 1.00 75.23 H new