USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 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 47 THR OG1 : rot 180:sc= -0.517 USER MOD Set 1.2: A 83 SER OG : rot -160:sc= -0.702 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -90:sc= -4.26! USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.512 (180deg=-3.43!) USER MOD Single : A 45 SER OG : rot 58:sc= 1.02 USER MOD Single : A 48 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.091) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.125) USER MOD Single : A 53 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 75 THR OG1 : rot -30:sc= -0.362 USER MOD Single : A 76 HIS : no HE2:sc= -0.947 X(o=-0.95,f=-1.4) 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 15:sc= 0.936 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-3.4!) 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 -105:sc= 1.72 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.43) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 122:sc= -0.815 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.039 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 39.171 -52.982 -75.051 1.00 73.21 N ATOM 472 CA ALA A 33 40.061 -53.928 -75.712 1.00 21.30 C ATOM 473 C ALA A 33 41.522 -53.594 -75.433 1.00 4.13 C ATOM 474 O ALA A 33 42.138 -54.162 -74.532 1.00 1.23 O ATOM 475 CB ALA A 33 39.798 -53.942 -77.210 1.00 71.55 C ATOM 0 HA ALA A 33 39.859 -54.921 -75.309 1.00 21.30 H new ATOM 0 HB1 ALA A 33 40.470 -54.653 -77.691 1.00 71.55 H new ATOM 0 HB2 ALA A 33 38.765 -54.237 -77.395 1.00 71.55 H new ATOM 0 HB3 ALA A 33 39.970 -52.946 -77.619 1.00 71.55 H new ATOM 481 N GLY A 34 42.073 -52.668 -76.213 1.00 34.22 N ATOM 482 CA GLY A 34 43.458 -52.275 -76.034 1.00 21.24 C ATOM 483 C GLY A 34 43.684 -51.523 -74.737 1.00 63.02 C ATOM 484 O GLY A 34 44.720 -51.682 -74.092 1.00 63.13 O ATOM 0 H GLY A 34 41.584 -52.183 -76.966 1.00 34.22 H new ATOM 0 HA2 GLY A 34 44.090 -53.163 -76.050 1.00 21.24 H new ATOM 0 HA3 GLY A 34 43.766 -51.649 -76.872 1.00 21.24 H new ATOM 488 N ALA A 35 42.713 -50.700 -74.355 1.00 43.02 N ATOM 489 CA ALA A 35 42.811 -49.921 -73.127 1.00 44.33 C ATOM 490 C ALA A 35 42.860 -50.829 -71.903 1.00 43.22 C ATOM 491 O ALA A 35 43.572 -50.548 -70.938 1.00 52.53 O ATOM 492 CB ALA A 35 41.643 -48.952 -73.022 1.00 74.20 C ATOM 0 H ALA A 35 41.850 -50.556 -74.878 1.00 43.02 H new ATOM 0 HA ALA A 35 43.739 -49.351 -73.161 1.00 44.33 H new ATOM 0 HB1 ALA A 35 41.729 -48.377 -72.100 1.00 74.20 H new ATOM 0 HB2 ALA A 35 41.655 -48.274 -73.875 1.00 74.20 H new ATOM 0 HB3 ALA A 35 40.707 -49.510 -73.015 1.00 74.20 H new ATOM 498 N ILE A 36 42.100 -51.917 -71.949 1.00 72.41 N ATOM 499 CA ILE A 36 42.057 -52.866 -70.844 1.00 25.35 C ATOM 500 C ILE A 36 43.463 -53.277 -70.417 1.00 51.32 C ATOM 501 O ILE A 36 43.709 -53.568 -69.246 1.00 53.34 O ATOM 502 CB ILE A 36 41.257 -54.128 -71.215 1.00 72.32 C ATOM 503 CG1 ILE A 36 42.168 -55.157 -71.888 1.00 52.14 C ATOM 504 CG2 ILE A 36 40.092 -53.768 -72.125 1.00 43.14 C ATOM 505 CD1 ILE A 36 41.414 -56.231 -72.641 1.00 51.44 C ATOM 0 H ILE A 36 41.505 -52.164 -72.740 1.00 72.41 H new ATOM 0 HA ILE A 36 41.560 -52.362 -70.015 1.00 25.35 H new ATOM 0 HB ILE A 36 40.857 -54.568 -70.302 1.00 72.32 H new ATOM 0 HG12 ILE A 36 42.836 -54.642 -72.578 1.00 52.14 H new ATOM 0 HG13 ILE A 36 42.794 -55.628 -71.129 1.00 52.14 H new ATOM 0 HG21 ILE A 36 39.536 -54.671 -72.379 1.00 43.14 H new ATOM 0 HG22 ILE A 36 39.433 -53.068 -71.612 1.00 43.14 H new ATOM 0 HG23 ILE A 36 40.472 -53.307 -73.037 1.00 43.14 H new ATOM 0 HD11 ILE A 36 42.123 -56.925 -73.092 1.00 51.44 H new ATOM 0 HD12 ILE A 36 40.766 -56.772 -71.952 1.00 51.44 H new ATOM 0 HD13 ILE A 36 40.809 -55.771 -73.423 1.00 51.44 H new ATOM 517 N LYS A 37 44.384 -53.296 -71.375 1.00 34.20 N ATOM 518 CA LYS A 37 45.767 -53.668 -71.100 1.00 54.50 C ATOM 519 C LYS A 37 46.412 -52.682 -70.131 1.00 42.03 C ATOM 520 O LYS A 37 47.126 -53.079 -69.211 1.00 24.42 O ATOM 521 CB LYS A 37 46.570 -53.721 -72.401 1.00 43.22 C ATOM 522 CG LYS A 37 47.567 -54.866 -72.454 1.00 53.13 C ATOM 523 CD LYS A 37 48.768 -54.602 -71.562 1.00 50.40 C ATOM 524 CE LYS A 37 49.817 -55.694 -71.701 1.00 73.51 C ATOM 525 NZ LYS A 37 51.138 -55.146 -72.115 1.00 11.03 N ATOM 0 H LYS A 37 44.197 -53.058 -72.349 1.00 34.20 H new ATOM 0 HA LYS A 37 45.768 -54.656 -70.640 1.00 54.50 H new ATOM 0 HB2 LYS A 37 45.880 -53.812 -73.240 1.00 43.22 H new ATOM 0 HB3 LYS A 37 47.104 -52.779 -72.527 1.00 43.22 H new ATOM 0 HG2 LYS A 37 47.078 -55.790 -72.144 1.00 53.13 H new ATOM 0 HG3 LYS A 37 47.901 -55.012 -73.481 1.00 53.13 H new ATOM 0 HD2 LYS A 37 49.208 -53.638 -71.819 1.00 50.40 H new ATOM 0 HD3 LYS A 37 48.444 -54.538 -70.523 1.00 50.40 H new ATOM 0 HE2 LYS A 37 49.923 -56.218 -70.751 1.00 73.51 H new ATOM 0 HE3 LYS A 37 49.482 -56.428 -72.434 1.00 73.51 H new ATOM 0 HZ1 LYS A 37 51.825 -55.922 -72.198 1.00 11.03 H new ATOM 0 HZ2 LYS A 37 51.043 -54.667 -73.033 1.00 11.03 H new ATOM 0 HZ3 LYS A 37 51.470 -54.465 -71.403 1.00 11.03 H new ATOM 539 N SER A 38 46.155 -51.395 -70.344 1.00 61.31 N ATOM 540 CA SER A 38 46.713 -50.353 -69.491 1.00 4.12 C ATOM 541 C SER A 38 46.162 -50.459 -68.072 1.00 51.23 C ATOM 542 O SER A 38 46.902 -50.341 -67.095 1.00 54.32 O ATOM 543 CB SER A 38 46.403 -48.971 -70.069 1.00 3.21 C ATOM 544 OG SER A 38 45.921 -48.095 -69.065 1.00 50.40 O ATOM 0 H SER A 38 45.564 -51.049 -71.100 1.00 61.31 H new ATOM 0 HA SER A 38 47.794 -50.489 -69.453 1.00 4.12 H new ATOM 0 HB2 SER A 38 47.302 -48.552 -70.520 1.00 3.21 H new ATOM 0 HB3 SER A 38 45.661 -49.063 -70.862 1.00 3.21 H new ATOM 0 HG SER A 38 44.945 -48.161 -69.015 1.00 50.40 H new ATOM 550 N LYS A 39 44.856 -50.682 -67.967 1.00 63.31 N ATOM 551 CA LYS A 39 44.203 -50.806 -66.670 1.00 12.24 C ATOM 552 C LYS A 39 44.756 -51.996 -65.893 1.00 5.04 C ATOM 553 O LYS A 39 44.971 -51.915 -64.683 1.00 44.11 O ATOM 554 CB LYS A 39 42.691 -50.959 -66.850 1.00 31.55 C ATOM 555 CG LYS A 39 42.122 -50.106 -67.969 1.00 52.35 C ATOM 556 CD LYS A 39 40.832 -49.422 -67.549 1.00 11.53 C ATOM 557 CE LYS A 39 39.626 -50.322 -67.769 1.00 51.45 C ATOM 558 NZ LYS A 39 39.393 -50.592 -69.215 1.00 70.22 N ATOM 0 H LYS A 39 44.229 -50.781 -68.766 1.00 63.31 H new ATOM 0 HA LYS A 39 44.405 -49.898 -66.101 1.00 12.24 H new ATOM 0 HB2 LYS A 39 42.462 -52.006 -67.050 1.00 31.55 H new ATOM 0 HB3 LYS A 39 42.194 -50.697 -65.916 1.00 31.55 H new ATOM 0 HG2 LYS A 39 42.854 -49.354 -68.263 1.00 52.35 H new ATOM 0 HG3 LYS A 39 41.936 -50.729 -68.844 1.00 52.35 H new ATOM 0 HD2 LYS A 39 40.892 -49.144 -66.497 1.00 11.53 H new ATOM 0 HD3 LYS A 39 40.707 -48.499 -68.116 1.00 11.53 H new ATOM 0 HE2 LYS A 39 39.775 -51.265 -67.243 1.00 51.45 H new ATOM 0 HE3 LYS A 39 38.740 -49.854 -67.339 1.00 51.45 H new ATOM 0 HZ1 LYS A 39 38.393 -50.423 -69.443 1.00 70.22 H new ATOM 0 HZ2 LYS A 39 39.990 -49.961 -69.787 1.00 70.22 H new ATOM 0 HZ3 LYS A 39 39.633 -51.581 -69.427 1.00 70.22 H new ATOM 572 N VAL A 40 44.987 -53.100 -66.596 1.00 31.44 N ATOM 573 CA VAL A 40 45.518 -54.307 -65.972 1.00 42.41 C ATOM 574 C VAL A 40 46.820 -54.016 -65.234 1.00 44.15 C ATOM 575 O VAL A 40 47.035 -54.497 -64.123 1.00 25.04 O ATOM 576 CB VAL A 40 45.767 -55.414 -67.013 1.00 50.25 C ATOM 577 CG1 VAL A 40 46.533 -56.571 -66.390 1.00 54.03 C ATOM 578 CG2 VAL A 40 44.450 -55.893 -67.606 1.00 44.43 C ATOM 0 H VAL A 40 44.815 -53.184 -67.598 1.00 31.44 H new ATOM 0 HA VAL A 40 44.769 -54.651 -65.259 1.00 42.41 H new ATOM 0 HB VAL A 40 46.373 -55.001 -67.819 1.00 50.25 H new ATOM 0 HG11 VAL A 40 46.699 -57.343 -67.141 1.00 54.03 H new ATOM 0 HG12 VAL A 40 47.493 -56.213 -66.018 1.00 54.03 H new ATOM 0 HG13 VAL A 40 45.956 -56.986 -65.564 1.00 54.03 H new ATOM 0 HG21 VAL A 40 44.644 -56.675 -68.340 1.00 44.43 H new ATOM 0 HG22 VAL A 40 43.816 -56.289 -66.812 1.00 44.43 H new ATOM 0 HG23 VAL A 40 43.944 -55.058 -68.091 1.00 44.43 H new ATOM 588 N GLU A 41 47.686 -53.225 -65.862 1.00 34.14 N ATOM 589 CA GLU A 41 48.968 -52.871 -65.264 1.00 14.21 C ATOM 590 C GLU A 41 48.769 -52.215 -63.901 1.00 3.55 C ATOM 591 O GLU A 41 49.640 -52.285 -63.034 1.00 12.14 O ATOM 592 CB GLU A 41 49.743 -51.929 -66.187 1.00 62.14 C ATOM 593 CG GLU A 41 49.938 -52.477 -67.591 1.00 73.12 C ATOM 594 CD GLU A 41 50.966 -53.590 -67.646 1.00 20.24 C ATOM 595 OE1 GLU A 41 52.002 -53.474 -66.958 1.00 42.21 O ATOM 596 OE2 GLU A 41 50.735 -54.577 -68.375 1.00 42.23 O ATOM 0 H GLU A 41 47.523 -52.818 -66.783 1.00 34.14 H new ATOM 0 HA GLU A 41 49.542 -53.787 -65.127 1.00 14.21 H new ATOM 0 HB2 GLU A 41 49.215 -50.977 -66.248 1.00 62.14 H new ATOM 0 HB3 GLU A 41 50.719 -51.724 -65.747 1.00 62.14 H new ATOM 0 HG2 GLU A 41 48.985 -52.849 -67.967 1.00 73.12 H new ATOM 0 HG3 GLU A 41 50.248 -51.668 -68.253 1.00 73.12 H new ATOM 603 N ALA A 42 47.618 -51.576 -63.720 1.00 31.14 N ATOM 604 CA ALA A 42 47.304 -50.908 -62.462 1.00 71.45 C ATOM 605 C ALA A 42 46.395 -51.772 -61.594 1.00 62.02 C ATOM 606 O ALA A 42 46.278 -51.550 -60.390 1.00 21.05 O ATOM 607 CB ALA A 42 46.655 -49.559 -62.730 1.00 13.54 C ATOM 0 H ALA A 42 46.887 -51.507 -64.428 1.00 31.14 H new ATOM 0 HA ALA A 42 48.236 -50.749 -61.920 1.00 71.45 H new ATOM 0 HB1 ALA A 42 46.426 -49.071 -61.783 1.00 13.54 H new ATOM 0 HB2 ALA A 42 47.339 -48.934 -63.304 1.00 13.54 H new ATOM 0 HB3 ALA A 42 45.735 -49.704 -63.296 1.00 13.54 H new ATOM 613 N ALA A 43 45.753 -52.757 -62.214 1.00 45.23 N ATOM 614 CA ALA A 43 44.856 -53.654 -61.497 1.00 62.44 C ATOM 615 C ALA A 43 45.582 -54.362 -60.358 1.00 42.41 C ATOM 616 O ALA A 43 44.957 -54.833 -59.408 1.00 33.44 O ATOM 617 CB ALA A 43 44.253 -54.672 -62.454 1.00 31.32 C ATOM 0 H ALA A 43 45.838 -52.954 -63.211 1.00 45.23 H new ATOM 0 HA ALA A 43 44.053 -53.056 -61.065 1.00 62.44 H new ATOM 0 HB1 ALA A 43 43.585 -55.336 -61.905 1.00 31.32 H new ATOM 0 HB2 ALA A 43 43.691 -54.153 -63.231 1.00 31.32 H new ATOM 0 HB3 ALA A 43 45.050 -55.257 -62.912 1.00 31.32 H new ATOM 623 N LEU A 44 46.905 -54.433 -60.460 1.00 12.34 N ATOM 624 CA LEU A 44 47.717 -55.084 -59.437 1.00 52.42 C ATOM 625 C LEU A 44 47.498 -54.436 -58.074 1.00 15.13 C ATOM 626 O LEU A 44 47.773 -55.040 -57.037 1.00 41.30 O ATOM 627 CB LEU A 44 49.198 -55.016 -59.814 1.00 54.04 C ATOM 628 CG LEU A 44 49.622 -55.855 -61.020 1.00 22.40 C ATOM 629 CD1 LEU A 44 50.915 -55.319 -61.615 1.00 30.30 C ATOM 630 CD2 LEU A 44 49.781 -57.316 -60.624 1.00 12.04 C ATOM 0 H LEU A 44 47.438 -54.048 -61.240 1.00 12.34 H new ATOM 0 HA LEU A 44 47.411 -56.128 -59.376 1.00 52.42 H new ATOM 0 HB2 LEU A 44 49.455 -53.975 -60.012 1.00 54.04 H new ATOM 0 HB3 LEU A 44 49.787 -55.331 -58.952 1.00 54.04 H new ATOM 0 HG LEU A 44 48.841 -55.787 -61.778 1.00 22.40 H new ATOM 0 HD11 LEU A 44 51.201 -55.929 -62.472 1.00 30.30 H new ATOM 0 HD12 LEU A 44 50.768 -54.288 -61.936 1.00 30.30 H new ATOM 0 HD13 LEU A 44 51.704 -55.356 -60.864 1.00 30.30 H new ATOM 0 HD21 LEU A 44 50.083 -57.898 -61.495 1.00 12.04 H new ATOM 0 HD22 LEU A 44 50.542 -57.402 -59.848 1.00 12.04 H new ATOM 0 HD23 LEU A 44 48.832 -57.696 -60.245 1.00 12.04 H new ATOM 642 N SER A 45 46.998 -53.204 -58.083 1.00 20.22 N ATOM 643 CA SER A 45 46.743 -52.474 -56.847 1.00 12.41 C ATOM 644 C SER A 45 45.248 -52.419 -56.547 1.00 11.10 C ATOM 645 O SER A 45 44.406 -52.682 -57.406 1.00 63.41 O ATOM 646 CB SER A 45 47.308 -51.055 -56.942 1.00 73.03 C ATOM 647 OG SER A 45 47.728 -50.761 -58.263 1.00 65.42 O ATOM 0 H SER A 45 46.762 -52.691 -58.932 1.00 20.22 H new ATOM 0 HA SER A 45 47.240 -53.002 -56.033 1.00 12.41 H new ATOM 0 HB2 SER A 45 46.550 -50.337 -56.630 1.00 73.03 H new ATOM 0 HB3 SER A 45 48.149 -50.949 -56.257 1.00 73.03 H new ATOM 0 HG SER A 45 46.974 -50.875 -58.879 1.00 65.42 H new ATOM 653 N PRO A 46 44.909 -52.068 -55.298 1.00 35.45 N ATOM 654 CA PRO A 46 43.515 -51.970 -54.854 1.00 12.00 C ATOM 655 C PRO A 46 42.787 -50.789 -55.488 1.00 32.53 C ATOM 656 O PRO A 46 41.574 -50.641 -55.337 1.00 14.31 O ATOM 657 CB PRO A 46 43.637 -51.773 -53.341 1.00 2.01 C ATOM 658 CG PRO A 46 44.982 -51.162 -53.146 1.00 20.50 C ATOM 659 CD PRO A 46 45.859 -51.741 -54.222 1.00 2.32 C ATOM 0 HA PRO A 46 42.934 -52.848 -55.137 1.00 12.00 H new ATOM 0 HB2 PRO A 46 42.848 -51.123 -52.961 1.00 2.01 H new ATOM 0 HB3 PRO A 46 43.552 -52.721 -52.810 1.00 2.01 H new ATOM 0 HG2 PRO A 46 44.933 -50.076 -53.225 1.00 20.50 H new ATOM 0 HG3 PRO A 46 45.375 -51.392 -52.156 1.00 20.50 H new ATOM 0 HD2 PRO A 46 46.612 -51.026 -54.554 1.00 2.32 H new ATOM 0 HD3 PRO A 46 46.391 -52.626 -53.873 1.00 2.32 H new ATOM 667 N THR A 47 43.535 -49.951 -56.199 1.00 33.15 N ATOM 668 CA THR A 47 42.961 -48.783 -56.855 1.00 34.33 C ATOM 669 C THR A 47 41.909 -49.190 -57.881 1.00 22.53 C ATOM 670 O THR A 47 41.693 -50.378 -58.125 1.00 42.14 O ATOM 671 CB THR A 47 44.045 -47.942 -57.554 1.00 0.01 C ATOM 672 OG1 THR A 47 43.470 -46.739 -58.077 1.00 64.32 O ATOM 673 CG2 THR A 47 44.699 -48.729 -58.680 1.00 34.34 C ATOM 0 H THR A 47 44.540 -50.060 -56.335 1.00 33.15 H new ATOM 0 HA THR A 47 42.492 -48.182 -56.076 1.00 34.33 H new ATOM 0 HB THR A 47 44.808 -47.689 -56.818 1.00 0.01 H new ATOM 0 HG1 THR A 47 44.166 -46.209 -58.519 1.00 64.32 H new ATOM 0 HG21 THR A 47 45.461 -48.114 -59.159 1.00 34.34 H new ATOM 0 HG22 THR A 47 45.161 -49.629 -58.274 1.00 34.34 H new ATOM 0 HG23 THR A 47 43.944 -49.008 -59.415 1.00 34.34 H new ATOM 681 N HIS A 48 41.258 -48.198 -58.479 1.00 73.42 N ATOM 682 CA HIS A 48 40.229 -48.454 -59.481 1.00 32.10 C ATOM 683 C HIS A 48 40.483 -47.635 -60.743 1.00 1.35 C ATOM 684 O HIS A 48 40.981 -46.510 -60.675 1.00 74.51 O ATOM 685 CB HIS A 48 38.846 -48.128 -58.917 1.00 13.41 C ATOM 686 CG HIS A 48 37.754 -48.178 -59.941 1.00 70.30 C ATOM 687 ND1 HIS A 48 37.100 -47.055 -60.400 1.00 15.43 N ATOM 688 CD2 HIS A 48 37.204 -49.227 -60.597 1.00 54.52 C ATOM 689 CE1 HIS A 48 36.193 -47.410 -61.292 1.00 53.53 C ATOM 690 NE2 HIS A 48 36.236 -48.722 -61.431 1.00 31.42 N ATOM 0 H HIS A 48 41.424 -47.210 -58.288 1.00 73.42 H new ATOM 0 HA HIS A 48 40.267 -49.512 -59.742 1.00 32.10 H new ATOM 0 HB2 HIS A 48 38.614 -48.831 -58.116 1.00 13.41 H new ATOM 0 HB3 HIS A 48 38.870 -47.134 -58.471 1.00 13.41 H new ATOM 0 HD2 HIS A 48 37.475 -50.266 -60.486 1.00 54.52 H new ATOM 0 HE1 HIS A 48 35.529 -46.740 -61.818 1.00 53.53 H new ATOM 0 HE2 HIS A 48 35.646 -49.272 -62.056 1.00 31.42 H new ATOM 698 N PHE A 49 40.139 -48.205 -61.892 1.00 63.43 N ATOM 699 CA PHE A 49 40.332 -47.529 -63.170 1.00 1.55 C ATOM 700 C PHE A 49 39.069 -47.606 -64.022 1.00 50.21 C ATOM 701 O PHE A 49 38.587 -48.693 -64.341 1.00 54.33 O ATOM 702 CB PHE A 49 41.510 -48.147 -63.926 1.00 10.43 C ATOM 703 CG PHE A 49 42.843 -47.587 -63.520 1.00 2.44 C ATOM 704 CD1 PHE A 49 43.349 -47.818 -62.251 1.00 21.14 C ATOM 705 CD2 PHE A 49 43.591 -46.829 -64.407 1.00 32.41 C ATOM 706 CE1 PHE A 49 44.575 -47.303 -61.874 1.00 62.32 C ATOM 707 CE2 PHE A 49 44.818 -46.312 -64.036 1.00 70.33 C ATOM 708 CZ PHE A 49 45.311 -46.551 -62.768 1.00 41.45 C ATOM 0 H PHE A 49 39.725 -49.134 -61.965 1.00 63.43 H new ATOM 0 HA PHE A 49 40.550 -46.480 -62.968 1.00 1.55 H new ATOM 0 HB2 PHE A 49 41.512 -49.224 -63.761 1.00 10.43 H new ATOM 0 HB3 PHE A 49 41.369 -47.988 -64.995 1.00 10.43 H new ATOM 0 HD1 PHE A 49 42.779 -48.407 -61.548 1.00 21.14 H new ATOM 0 HD2 PHE A 49 43.211 -46.640 -65.400 1.00 32.41 H new ATOM 0 HE1 PHE A 49 44.957 -47.489 -60.881 1.00 62.32 H new ATOM 0 HE2 PHE A 49 45.390 -45.722 -64.736 1.00 70.33 H new ATOM 0 HZ PHE A 49 46.271 -46.150 -62.476 1.00 41.45 H new ATOM 718 N LYS A 50 38.537 -46.444 -64.387 1.00 62.35 N ATOM 719 CA LYS A 50 37.331 -46.378 -65.203 1.00 54.44 C ATOM 720 C LYS A 50 37.649 -45.864 -66.604 1.00 14.41 C ATOM 721 O LYS A 50 38.057 -44.714 -66.777 1.00 34.32 O ATOM 722 CB LYS A 50 36.291 -45.471 -64.540 1.00 70.50 C ATOM 723 CG LYS A 50 35.050 -45.248 -65.387 1.00 42.30 C ATOM 724 CD LYS A 50 34.821 -43.771 -65.660 1.00 55.33 C ATOM 725 CE LYS A 50 33.338 -43.446 -65.756 1.00 12.53 C ATOM 726 NZ LYS A 50 32.868 -43.406 -67.168 1.00 62.23 N ATOM 0 H LYS A 50 38.923 -45.535 -64.130 1.00 62.35 H new ATOM 0 HA LYS A 50 36.925 -47.386 -65.288 1.00 54.44 H new ATOM 0 HB2 LYS A 50 35.996 -45.908 -63.586 1.00 70.50 H new ATOM 0 HB3 LYS A 50 36.749 -44.507 -64.321 1.00 70.50 H new ATOM 0 HG2 LYS A 50 35.152 -45.782 -66.332 1.00 42.30 H new ATOM 0 HG3 LYS A 50 34.181 -45.664 -64.878 1.00 42.30 H new ATOM 0 HD2 LYS A 50 35.274 -43.178 -64.865 1.00 55.33 H new ATOM 0 HD3 LYS A 50 35.317 -43.490 -66.589 1.00 55.33 H new ATOM 0 HE2 LYS A 50 32.766 -44.192 -65.204 1.00 12.53 H new ATOM 0 HE3 LYS A 50 33.146 -42.483 -65.282 1.00 12.53 H new ATOM 0 HZ1 LYS A 50 31.863 -43.672 -67.207 1.00 62.23 H new ATOM 0 HZ2 LYS A 50 32.987 -42.445 -67.546 1.00 62.23 H new ATOM 0 HZ3 LYS A 50 33.425 -44.074 -67.738 1.00 62.23 H new ATOM 740 N LEU A 51 37.458 -46.721 -67.601 1.00 3.41 N ATOM 741 CA LEU A 51 37.723 -46.352 -68.987 1.00 65.54 C ATOM 742 C LEU A 51 36.504 -46.619 -69.864 1.00 62.13 C ATOM 743 O LEU A 51 36.005 -47.743 -69.924 1.00 54.14 O ATOM 744 CB LEU A 51 38.929 -47.129 -69.520 1.00 72.04 C ATOM 745 CG LEU A 51 39.395 -46.761 -70.930 1.00 34.24 C ATOM 746 CD1 LEU A 51 40.911 -46.651 -70.979 1.00 74.51 C ATOM 747 CD2 LEU A 51 38.899 -47.786 -71.940 1.00 11.24 C ATOM 0 H LEU A 51 37.121 -47.675 -67.476 1.00 3.41 H new ATOM 0 HA LEU A 51 37.943 -45.285 -69.018 1.00 65.54 H new ATOM 0 HB2 LEU A 51 39.763 -46.982 -68.833 1.00 72.04 H new ATOM 0 HB3 LEU A 51 38.687 -48.192 -69.505 1.00 72.04 H new ATOM 0 HG LEU A 51 38.973 -45.791 -71.190 1.00 34.24 H new ATOM 0 HD11 LEU A 51 41.224 -46.389 -71.990 1.00 74.51 H new ATOM 0 HD12 LEU A 51 41.242 -45.879 -70.284 1.00 74.51 H new ATOM 0 HD13 LEU A 51 41.354 -47.606 -70.698 1.00 74.51 H new ATOM 0 HD21 LEU A 51 39.240 -47.508 -72.937 1.00 11.24 H new ATOM 0 HD22 LEU A 51 39.292 -48.770 -71.683 1.00 11.24 H new ATOM 0 HD23 LEU A 51 37.810 -47.815 -71.924 1.00 11.24 H new ATOM 759 N ILE A 52 36.032 -45.580 -70.544 1.00 11.52 N ATOM 760 CA ILE A 52 34.874 -45.703 -71.420 1.00 14.30 C ATOM 761 C ILE A 52 35.186 -45.185 -72.820 1.00 32.10 C ATOM 762 O ILE A 52 35.476 -44.004 -73.006 1.00 21.15 O ATOM 763 CB ILE A 52 33.660 -44.937 -70.860 1.00 44.33 C ATOM 764 CG1 ILE A 52 32.549 -44.862 -71.909 1.00 40.53 C ATOM 765 CG2 ILE A 52 34.073 -43.541 -70.417 1.00 65.14 C ATOM 766 CD1 ILE A 52 32.429 -43.504 -72.567 1.00 24.43 C ATOM 0 H ILE A 52 36.434 -44.643 -70.505 1.00 11.52 H new ATOM 0 HA ILE A 52 34.631 -46.764 -71.474 1.00 14.30 H new ATOM 0 HB ILE A 52 33.279 -45.474 -69.992 1.00 44.33 H new ATOM 0 HG12 ILE A 52 32.734 -45.614 -72.677 1.00 40.53 H new ATOM 0 HG13 ILE A 52 31.599 -45.114 -71.439 1.00 40.53 H new ATOM 0 HG21 ILE A 52 33.205 -43.012 -70.024 1.00 65.14 H new ATOM 0 HG22 ILE A 52 34.834 -43.616 -69.641 1.00 65.14 H new ATOM 0 HG23 ILE A 52 34.476 -42.993 -71.269 1.00 65.14 H new ATOM 0 HD11 ILE A 52 31.622 -43.524 -73.299 1.00 24.43 H new ATOM 0 HD12 ILE A 52 32.213 -42.751 -71.810 1.00 24.43 H new ATOM 0 HD13 ILE A 52 33.366 -43.258 -73.067 1.00 24.43 H new ATOM 778 N ASN A 53 35.122 -46.078 -73.803 1.00 1.42 N ATOM 779 CA ASN A 53 35.397 -45.711 -75.187 1.00 52.33 C ATOM 780 C ASN A 53 34.129 -45.789 -76.033 1.00 21.34 C ATOM 781 O ASN A 53 33.493 -46.840 -76.119 1.00 54.52 O ATOM 782 CB ASN A 53 36.473 -46.626 -75.775 1.00 51.33 C ATOM 783 CG ASN A 53 36.467 -46.625 -77.292 1.00 2.42 C ATOM 784 OD1 ASN A 53 36.447 -47.681 -77.924 1.00 45.54 O ATOM 785 ND2 ASN A 53 36.485 -45.435 -77.882 1.00 71.34 N ATOM 0 H ASN A 53 34.882 -47.060 -73.666 1.00 1.42 H new ATOM 0 HA ASN A 53 35.758 -44.683 -75.199 1.00 52.33 H new ATOM 0 HB2 ASN A 53 37.452 -46.307 -75.418 1.00 51.33 H new ATOM 0 HB3 ASN A 53 36.318 -47.643 -75.414 1.00 51.33 H new ATOM 0 HD21 ASN A 53 36.483 -45.370 -78.900 1.00 71.34 H new ATOM 0 HD22 ASN A 53 36.501 -44.586 -77.317 1.00 71.34 H new ATOM 792 N ASP A 54 33.769 -44.672 -76.654 1.00 42.14 N ATOM 793 CA ASP A 54 32.579 -44.614 -77.495 1.00 13.14 C ATOM 794 C ASP A 54 32.955 -44.632 -78.973 1.00 24.32 C ATOM 795 O ASP A 54 32.340 -45.338 -79.772 1.00 13.13 O ATOM 796 CB ASP A 54 31.766 -43.358 -77.178 1.00 51.53 C ATOM 797 CG ASP A 54 30.443 -43.677 -76.510 1.00 51.23 C ATOM 798 OD1 ASP A 54 29.691 -44.513 -77.053 1.00 25.41 O ATOM 799 OD2 ASP A 54 30.159 -43.089 -75.445 1.00 74.42 O ATOM 0 H ASP A 54 34.284 -43.794 -76.591 1.00 42.14 H new ATOM 0 HA ASP A 54 31.972 -45.494 -77.283 1.00 13.14 H new ATOM 0 HB2 ASP A 54 32.350 -42.706 -76.528 1.00 51.53 H new ATOM 0 HB3 ASP A 54 31.580 -42.807 -78.100 1.00 51.53 H new ATOM 804 N SER A 55 33.970 -43.851 -79.329 1.00 70.24 N ATOM 805 CA SER A 55 34.426 -43.774 -80.712 1.00 53.15 C ATOM 806 C SER A 55 33.336 -43.200 -81.612 1.00 54.04 C ATOM 807 O SER A 55 32.148 -43.284 -81.299 1.00 14.21 O ATOM 808 CB SER A 55 34.840 -45.159 -81.213 1.00 54.14 C ATOM 809 OG SER A 55 34.384 -45.380 -82.537 1.00 43.41 O ATOM 0 H SER A 55 34.492 -43.263 -78.679 1.00 70.24 H new ATOM 0 HA SER A 55 35.290 -43.110 -80.747 1.00 53.15 H new ATOM 0 HB2 SER A 55 35.925 -45.252 -81.179 1.00 54.14 H new ATOM 0 HB3 SER A 55 34.433 -45.925 -80.552 1.00 54.14 H new ATOM 0 HG SER A 55 34.663 -46.271 -82.834 1.00 43.41 H new ATOM 815 N HIS A 56 33.749 -42.616 -82.733 1.00 75.41 N ATOM 816 CA HIS A 56 32.808 -42.028 -83.680 1.00 70.32 C ATOM 817 C HIS A 56 33.188 -42.383 -85.115 1.00 31.34 C ATOM 818 O HIS A 56 34.083 -41.774 -85.700 1.00 40.52 O ATOM 819 CB HIS A 56 32.765 -40.509 -83.513 1.00 25.24 C ATOM 820 CG HIS A 56 31.567 -39.870 -84.143 1.00 75.31 C ATOM 821 ND1 HIS A 56 31.511 -39.527 -85.477 1.00 41.24 N ATOM 822 CD2 HIS A 56 30.372 -39.514 -83.615 1.00 24.24 C ATOM 823 CE1 HIS A 56 30.336 -38.985 -85.742 1.00 35.41 C ATOM 824 NE2 HIS A 56 29.625 -38.966 -84.628 1.00 64.54 N ATOM 0 H HIS A 56 34.728 -42.537 -83.007 1.00 75.41 H new ATOM 0 HA HIS A 56 31.819 -42.437 -83.472 1.00 70.32 H new ATOM 0 HB2 HIS A 56 32.778 -40.268 -82.450 1.00 25.24 H new ATOM 0 HB3 HIS A 56 33.667 -40.078 -83.948 1.00 25.24 H new ATOM 0 HD2 HIS A 56 30.064 -39.638 -82.587 1.00 24.24 H new ATOM 0 HE1 HIS A 56 30.011 -38.620 -86.705 1.00 35.41 H new ATOM 0 HE2 HIS A 56 28.676 -38.603 -84.536 1.00 64.54 H new ATOM 1069 N THR A 75 34.772 -35.293 -77.435 1.00 3.14 N ATOM 1070 CA THR A 75 35.479 -36.400 -76.804 1.00 21.33 C ATOM 1071 C THR A 75 34.527 -37.544 -76.475 1.00 72.52 C ATOM 1072 O THR A 75 33.459 -37.331 -75.901 1.00 34.12 O ATOM 1073 CB THR A 75 36.189 -35.951 -75.512 1.00 74.23 C ATOM 1074 OG1 THR A 75 35.314 -36.115 -74.390 1.00 61.44 O ATOM 1075 CG2 THR A 75 36.626 -34.498 -75.613 1.00 14.54 C ATOM 0 HA THR A 75 36.226 -36.746 -77.519 1.00 21.33 H new ATOM 0 HB THR A 75 37.075 -36.572 -75.375 1.00 74.23 H new ATOM 0 HG1 THR A 75 34.385 -36.005 -74.681 1.00 61.44 H new ATOM 0 HG21 THR A 75 37.125 -34.203 -74.690 1.00 14.54 H new ATOM 0 HG22 THR A 75 37.314 -34.382 -76.450 1.00 14.54 H new ATOM 0 HG23 THR A 75 35.753 -33.866 -75.772 1.00 14.54 H new ATOM 1083 N HIS A 76 34.920 -38.760 -76.842 1.00 44.14 N ATOM 1084 CA HIS A 76 34.101 -39.939 -76.585 1.00 24.00 C ATOM 1085 C HIS A 76 34.857 -40.948 -75.725 1.00 72.24 C ATOM 1086 O HIS A 76 34.265 -41.880 -75.180 1.00 64.32 O ATOM 1087 CB HIS A 76 33.678 -40.589 -77.902 1.00 70.44 C ATOM 1088 CG HIS A 76 32.366 -40.088 -78.423 1.00 63.34 C ATOM 1089 ND1 HIS A 76 31.754 -38.948 -77.948 1.00 51.22 N ATOM 1090 CD2 HIS A 76 31.550 -40.579 -79.386 1.00 3.44 C ATOM 1091 CE1 HIS A 76 30.617 -38.759 -78.594 1.00 62.34 C ATOM 1092 NE2 HIS A 76 30.470 -39.735 -79.473 1.00 3.14 N ATOM 0 H HIS A 76 35.801 -38.954 -77.318 1.00 44.14 H new ATOM 0 HA HIS A 76 33.210 -39.622 -76.043 1.00 24.00 H new ATOM 0 HB2 HIS A 76 34.449 -40.409 -78.651 1.00 70.44 H new ATOM 0 HB3 HIS A 76 33.616 -41.668 -77.762 1.00 70.44 H new ATOM 0 HD1 HIS A 76 32.122 -38.344 -77.212 1.00 51.22 H new ATOM 0 HD2 HIS A 76 31.717 -41.468 -79.976 1.00 3.44 H new ATOM 0 HE1 HIS A 76 29.925 -37.945 -78.431 1.00 62.34 H new ATOM 1100 N PHE A 77 36.167 -40.756 -75.610 1.00 34.35 N ATOM 1101 CA PHE A 77 37.003 -41.651 -74.818 1.00 2.41 C ATOM 1102 C PHE A 77 37.588 -40.922 -73.611 1.00 63.35 C ATOM 1103 O PHE A 77 38.074 -39.797 -73.728 1.00 13.12 O ATOM 1104 CB PHE A 77 38.131 -42.223 -75.679 1.00 23.24 C ATOM 1105 CG PHE A 77 39.216 -42.888 -74.880 1.00 71.32 C ATOM 1106 CD1 PHE A 77 39.032 -44.159 -74.361 1.00 33.43 C ATOM 1107 CD2 PHE A 77 40.419 -42.242 -74.649 1.00 5.11 C ATOM 1108 CE1 PHE A 77 40.028 -44.774 -73.626 1.00 31.51 C ATOM 1109 CE2 PHE A 77 41.419 -42.852 -73.915 1.00 63.13 C ATOM 1110 CZ PHE A 77 41.223 -44.119 -73.402 1.00 71.31 C ATOM 0 H PHE A 77 36.672 -39.990 -76.055 1.00 34.35 H new ATOM 0 HA PHE A 77 36.379 -42.469 -74.459 1.00 2.41 H new ATOM 0 HB2 PHE A 77 37.712 -42.945 -76.380 1.00 23.24 H new ATOM 0 HB3 PHE A 77 38.568 -41.420 -76.272 1.00 23.24 H new ATOM 0 HD1 PHE A 77 38.099 -44.676 -74.533 1.00 33.43 H new ATOM 0 HD2 PHE A 77 40.578 -41.251 -75.047 1.00 5.11 H new ATOM 0 HE1 PHE A 77 39.872 -45.766 -73.227 1.00 31.51 H new ATOM 0 HE2 PHE A 77 42.353 -42.338 -73.743 1.00 63.13 H new ATOM 0 HZ PHE A 77 42.002 -44.597 -72.827 1.00 71.31 H new ATOM 1120 N ARG A 78 37.538 -41.572 -72.454 1.00 33.55 N ATOM 1121 CA ARG A 78 38.061 -40.987 -71.225 1.00 15.10 C ATOM 1122 C ARG A 78 38.619 -42.067 -70.303 1.00 3.21 C ATOM 1123 O ARG A 78 38.072 -43.167 -70.214 1.00 41.23 O ATOM 1124 CB ARG A 78 36.965 -40.201 -70.502 1.00 75.45 C ATOM 1125 CG ARG A 78 36.115 -41.054 -69.575 1.00 32.34 C ATOM 1126 CD ARG A 78 34.684 -40.544 -69.503 1.00 2.21 C ATOM 1127 NE ARG A 78 34.579 -39.320 -68.712 1.00 74.44 N ATOM 1128 CZ ARG A 78 33.472 -38.589 -68.634 1.00 64.12 C ATOM 1129 NH1 ARG A 78 32.383 -38.956 -69.295 1.00 30.34 N ATOM 1130 NH2 ARG A 78 33.454 -37.488 -67.894 1.00 24.24 N ATOM 0 H ARG A 78 37.141 -42.505 -72.341 1.00 33.55 H new ATOM 0 HA ARG A 78 38.870 -40.307 -71.492 1.00 15.10 H new ATOM 0 HB2 ARG A 78 37.425 -39.399 -69.924 1.00 75.45 H new ATOM 0 HB3 ARG A 78 36.319 -39.730 -71.243 1.00 75.45 H new ATOM 0 HG2 ARG A 78 36.117 -42.086 -69.925 1.00 32.34 H new ATOM 0 HG3 ARG A 78 36.553 -41.055 -68.577 1.00 32.34 H new ATOM 0 HD2 ARG A 78 34.314 -40.357 -70.511 1.00 2.21 H new ATOM 0 HD3 ARG A 78 34.046 -41.313 -69.067 1.00 2.21 H new ATOM 0 HE ARG A 78 35.400 -39.010 -68.192 1.00 74.44 H new ATOM 0 HH11 ARG A 78 32.393 -39.802 -69.865 1.00 30.34 H new ATOM 0 HH12 ARG A 78 31.535 -38.393 -69.233 1.00 30.34 H new ATOM 0 HH21 ARG A 78 34.290 -37.202 -67.385 1.00 24.24 H new ATOM 0 HH22 ARG A 78 32.604 -36.927 -67.835 1.00 24.24 H new ATOM 1144 N LEU A 79 39.712 -41.746 -69.619 1.00 12.22 N ATOM 1145 CA LEU A 79 40.346 -42.688 -68.703 1.00 73.23 C ATOM 1146 C LEU A 79 40.576 -42.049 -67.338 1.00 23.34 C ATOM 1147 O LEU A 79 41.304 -41.064 -67.218 1.00 20.30 O ATOM 1148 CB LEU A 79 41.675 -43.176 -69.282 1.00 1.11 C ATOM 1149 CG LEU A 79 42.432 -44.208 -68.446 1.00 64.41 C ATOM 1150 CD1 LEU A 79 43.231 -43.524 -67.348 1.00 1.12 C ATOM 1151 CD2 LEU A 79 41.468 -45.225 -67.852 1.00 42.05 C ATOM 0 H LEU A 79 40.178 -40.841 -69.681 1.00 12.22 H new ATOM 0 HA LEU A 79 39.678 -43.540 -68.576 1.00 73.23 H new ATOM 0 HB2 LEU A 79 41.484 -43.604 -70.266 1.00 1.11 H new ATOM 0 HB3 LEU A 79 42.323 -42.312 -69.430 1.00 1.11 H new ATOM 0 HG LEU A 79 43.128 -44.735 -69.099 1.00 64.41 H new ATOM 0 HD11 LEU A 79 43.763 -44.275 -66.764 1.00 1.12 H new ATOM 0 HD12 LEU A 79 43.949 -42.836 -67.795 1.00 1.12 H new ATOM 0 HD13 LEU A 79 42.555 -42.970 -66.697 1.00 1.12 H new ATOM 0 HD21 LEU A 79 42.025 -45.952 -67.260 1.00 42.05 H new ATOM 0 HD22 LEU A 79 40.747 -44.714 -67.214 1.00 42.05 H new ATOM 0 HD23 LEU A 79 40.941 -45.739 -68.656 1.00 42.05 H new ATOM 1163 N GLU A 80 39.953 -42.619 -66.311 1.00 10.33 N ATOM 1164 CA GLU A 80 40.092 -42.105 -64.953 1.00 41.42 C ATOM 1165 C GLU A 80 40.521 -43.211 -63.994 1.00 31.13 C ATOM 1166 O GLU A 80 40.271 -44.392 -64.238 1.00 40.51 O ATOM 1167 CB GLU A 80 38.774 -41.487 -64.480 1.00 45.14 C ATOM 1168 CG GLU A 80 38.667 -39.997 -64.758 1.00 13.11 C ATOM 1169 CD GLU A 80 37.863 -39.264 -63.702 1.00 55.50 C ATOM 1170 OE1 GLU A 80 38.332 -39.185 -62.547 1.00 64.35 O ATOM 1171 OE2 GLU A 80 36.764 -38.768 -64.030 1.00 21.43 O ATOM 0 H GLU A 80 39.348 -43.436 -66.393 1.00 10.33 H new ATOM 0 HA GLU A 80 40.864 -41.335 -64.961 1.00 41.42 H new ATOM 0 HB2 GLU A 80 37.946 -42.000 -64.969 1.00 45.14 H new ATOM 0 HB3 GLU A 80 38.666 -41.657 -63.409 1.00 45.14 H new ATOM 0 HG2 GLU A 80 39.668 -39.568 -64.810 1.00 13.11 H new ATOM 0 HG3 GLU A 80 38.204 -39.845 -65.733 1.00 13.11 H new ATOM 1178 N VAL A 81 41.169 -42.820 -62.901 1.00 31.42 N ATOM 1179 CA VAL A 81 41.633 -43.778 -61.904 1.00 14.34 C ATOM 1180 C VAL A 81 41.526 -43.201 -60.497 1.00 2.54 C ATOM 1181 O VAL A 81 41.918 -42.059 -60.250 1.00 21.54 O ATOM 1182 CB VAL A 81 43.091 -44.198 -62.165 1.00 70.51 C ATOM 1183 CG1 VAL A 81 43.668 -43.423 -63.339 1.00 43.13 C ATOM 1184 CG2 VAL A 81 43.935 -43.997 -60.916 1.00 22.32 C ATOM 0 H VAL A 81 41.384 -41.847 -62.684 1.00 31.42 H new ATOM 0 HA VAL A 81 40.991 -44.655 -61.984 1.00 14.34 H new ATOM 0 HB VAL A 81 43.106 -45.258 -62.418 1.00 70.51 H new ATOM 0 HG11 VAL A 81 44.699 -43.733 -63.508 1.00 43.13 H new ATOM 0 HG12 VAL A 81 43.077 -43.623 -64.233 1.00 43.13 H new ATOM 0 HG13 VAL A 81 43.642 -42.356 -63.119 1.00 43.13 H new ATOM 0 HG21 VAL A 81 44.963 -44.299 -61.119 1.00 22.32 H new ATOM 0 HG22 VAL A 81 43.916 -42.946 -60.629 1.00 22.32 H new ATOM 0 HG23 VAL A 81 43.533 -44.602 -60.104 1.00 22.32 H new ATOM 1194 N THR A 82 40.993 -43.997 -59.575 1.00 2.21 N ATOM 1195 CA THR A 82 40.834 -43.566 -58.192 1.00 2.41 C ATOM 1196 C THR A 82 41.606 -44.473 -57.241 1.00 33.32 C ATOM 1197 O THR A 82 41.290 -45.655 -57.103 1.00 24.20 O ATOM 1198 CB THR A 82 39.351 -43.547 -57.776 1.00 61.31 C ATOM 1199 OG1 THR A 82 38.608 -42.691 -58.650 1.00 52.32 O ATOM 1200 CG2 THR A 82 39.198 -43.071 -56.340 1.00 13.34 C ATOM 0 H THR A 82 40.664 -44.944 -59.762 1.00 2.21 H new ATOM 0 HA THR A 82 41.234 -42.554 -58.129 1.00 2.41 H new ATOM 0 HB THR A 82 38.963 -44.563 -57.848 1.00 61.31 H new ATOM 0 HG1 THR A 82 37.666 -42.686 -58.380 1.00 52.32 H new ATOM 0 HG21 THR A 82 38.142 -43.066 -56.069 1.00 13.34 H new ATOM 0 HG22 THR A 82 39.740 -43.742 -55.674 1.00 13.34 H new ATOM 0 HG23 THR A 82 39.602 -42.063 -56.246 1.00 13.34 H new ATOM 1208 N SER A 83 42.618 -43.913 -56.586 1.00 33.21 N ATOM 1209 CA SER A 83 43.437 -44.674 -55.649 1.00 55.22 C ATOM 1210 C SER A 83 43.411 -44.036 -54.263 1.00 61.24 C ATOM 1211 O SER A 83 44.062 -43.019 -54.024 1.00 53.21 O ATOM 1212 CB SER A 83 44.878 -44.764 -56.155 1.00 55.23 C ATOM 1213 OG SER A 83 45.028 -44.085 -57.390 1.00 74.23 O ATOM 0 H SER A 83 42.891 -42.935 -56.687 1.00 33.21 H new ATOM 0 HA SER A 83 43.022 -45.679 -55.575 1.00 55.22 H new ATOM 0 HB2 SER A 83 45.554 -44.334 -55.416 1.00 55.23 H new ATOM 0 HB3 SER A 83 45.160 -45.810 -56.275 1.00 55.23 H new ATOM 0 HG SER A 83 45.833 -44.408 -57.845 1.00 74.23 H new ATOM 1219 N ASP A 84 42.655 -44.642 -53.354 1.00 50.25 N ATOM 1220 CA ASP A 84 42.544 -44.135 -51.992 1.00 23.15 C ATOM 1221 C ASP A 84 41.804 -42.802 -51.966 1.00 11.50 C ATOM 1222 O ASP A 84 41.709 -42.153 -50.924 1.00 74.34 O ATOM 1223 CB ASP A 84 43.933 -43.974 -51.370 1.00 54.23 C ATOM 1224 CG ASP A 84 44.153 -44.906 -50.195 1.00 51.21 C ATOM 1225 OD1 ASP A 84 43.321 -44.892 -49.264 1.00 23.42 O ATOM 1226 OD2 ASP A 84 45.157 -45.648 -50.206 1.00 64.01 O ATOM 0 H ASP A 84 42.110 -45.485 -53.536 1.00 50.25 H new ATOM 0 HA ASP A 84 41.974 -44.857 -51.408 1.00 23.15 H new ATOM 0 HB2 ASP A 84 44.692 -44.165 -52.129 1.00 54.23 H new ATOM 0 HB3 ASP A 84 44.063 -42.943 -51.041 1.00 54.23 H new ATOM 1231 N ALA A 85 41.282 -42.398 -53.120 1.00 5.12 N ATOM 1232 CA ALA A 85 40.550 -41.142 -53.229 1.00 61.45 C ATOM 1233 C ALA A 85 41.284 -40.014 -52.513 1.00 21.24 C ATOM 1234 O ALA A 85 40.935 -39.648 -51.390 1.00 43.11 O ATOM 1235 CB ALA A 85 39.145 -41.300 -52.668 1.00 73.54 C ATOM 0 H ALA A 85 41.353 -42.922 -53.992 1.00 5.12 H new ATOM 0 HA ALA A 85 40.481 -40.881 -54.285 1.00 61.45 H new ATOM 0 HB1 ALA A 85 38.610 -40.355 -52.756 1.00 73.54 H new ATOM 0 HB2 ALA A 85 38.614 -42.071 -53.227 1.00 73.54 H new ATOM 0 HB3 ALA A 85 39.203 -41.588 -51.618 1.00 73.54 H new ATOM 1241 N PHE A 86 42.303 -39.467 -53.168 1.00 32.33 N ATOM 1242 CA PHE A 86 43.087 -38.381 -52.592 1.00 25.43 C ATOM 1243 C PHE A 86 44.211 -37.962 -53.535 1.00 61.53 C ATOM 1244 O PHE A 86 45.350 -38.411 -53.401 1.00 51.14 O ATOM 1245 CB PHE A 86 43.671 -38.805 -51.242 1.00 71.53 C ATOM 1246 CG PHE A 86 43.018 -38.132 -50.069 1.00 22.41 C ATOM 1247 CD1 PHE A 86 42.934 -36.751 -50.005 1.00 11.15 C ATOM 1248 CD2 PHE A 86 42.489 -38.881 -49.030 1.00 25.22 C ATOM 1249 CE1 PHE A 86 42.334 -36.128 -48.926 1.00 74.33 C ATOM 1250 CE2 PHE A 86 41.888 -38.264 -47.949 1.00 73.34 C ATOM 1251 CZ PHE A 86 41.811 -36.886 -47.897 1.00 33.21 C ATOM 0 H PHE A 86 42.605 -39.758 -54.098 1.00 32.33 H new ATOM 0 HA PHE A 86 42.425 -37.528 -52.442 1.00 25.43 H new ATOM 0 HB2 PHE A 86 43.569 -39.885 -51.134 1.00 71.53 H new ATOM 0 HB3 PHE A 86 44.738 -38.583 -51.231 1.00 71.53 H new ATOM 0 HD1 PHE A 86 43.342 -36.154 -50.807 1.00 11.15 H new ATOM 0 HD2 PHE A 86 42.547 -39.959 -49.065 1.00 25.22 H new ATOM 0 HE1 PHE A 86 42.275 -35.050 -48.888 1.00 74.33 H new ATOM 0 HE2 PHE A 86 41.479 -38.859 -47.146 1.00 73.34 H new ATOM 0 HZ PHE A 86 41.342 -36.402 -47.053 1.00 33.21 H new ATOM 1261 N LYS A 87 43.882 -37.100 -54.491 1.00 3.43 N ATOM 1262 CA LYS A 87 44.862 -36.618 -55.458 1.00 33.05 C ATOM 1263 C LYS A 87 45.886 -35.707 -54.787 1.00 74.43 C ATOM 1264 O LYS A 87 45.537 -34.875 -53.951 1.00 40.02 O ATOM 1265 CB LYS A 87 44.162 -35.867 -56.593 1.00 32.52 C ATOM 1266 CG LYS A 87 45.074 -34.914 -57.345 1.00 22.11 C ATOM 1267 CD LYS A 87 45.016 -33.512 -56.763 1.00 44.52 C ATOM 1268 CE LYS A 87 44.263 -32.559 -57.679 1.00 32.02 C ATOM 1269 NZ LYS A 87 43.487 -31.548 -56.909 1.00 53.52 N ATOM 0 H LYS A 87 42.944 -36.720 -54.617 1.00 3.43 H new ATOM 0 HA LYS A 87 45.384 -37.482 -55.870 1.00 33.05 H new ATOM 0 HB2 LYS A 87 43.748 -36.591 -57.295 1.00 32.52 H new ATOM 0 HB3 LYS A 87 43.323 -35.305 -56.182 1.00 32.52 H new ATOM 0 HG2 LYS A 87 46.099 -35.283 -57.306 1.00 22.11 H new ATOM 0 HG3 LYS A 87 44.785 -34.885 -58.396 1.00 22.11 H new ATOM 0 HD2 LYS A 87 44.530 -33.542 -55.788 1.00 44.52 H new ATOM 0 HD3 LYS A 87 46.028 -33.141 -56.603 1.00 44.52 H new ATOM 0 HE2 LYS A 87 44.970 -32.052 -58.335 1.00 32.02 H new ATOM 0 HE3 LYS A 87 43.586 -33.127 -58.317 1.00 32.02 H new ATOM 0 HZ1 LYS A 87 42.988 -30.917 -57.569 1.00 53.52 H new ATOM 0 HZ2 LYS A 87 42.795 -32.031 -56.301 1.00 53.52 H new ATOM 0 HZ3 LYS A 87 44.135 -30.989 -56.319 1.00 53.52 H new ATOM 1283 N GLY A 88 47.151 -35.871 -55.161 1.00 41.34 N ATOM 1284 CA GLY A 88 48.205 -35.055 -54.587 1.00 64.44 C ATOM 1285 C GLY A 88 49.484 -35.104 -55.400 1.00 71.52 C ATOM 1286 O GLY A 88 50.013 -34.067 -55.802 1.00 23.30 O ATOM 0 H GLY A 88 47.465 -36.554 -55.851 1.00 41.34 H new ATOM 0 HA2 GLY A 88 47.863 -34.023 -54.516 1.00 64.44 H new ATOM 0 HA3 GLY A 88 48.410 -35.394 -53.572 1.00 64.44 H new ATOM 1290 N LEU A 89 49.983 -36.311 -55.642 1.00 61.54 N ATOM 1291 CA LEU A 89 51.209 -36.492 -56.412 1.00 24.14 C ATOM 1292 C LEU A 89 50.963 -36.242 -57.896 1.00 73.40 C ATOM 1293 O LEU A 89 49.823 -36.272 -58.361 1.00 71.34 O ATOM 1294 CB LEU A 89 51.761 -37.904 -56.205 1.00 41.30 C ATOM 1295 CG LEU A 89 51.053 -39.020 -56.973 1.00 62.25 C ATOM 1296 CD1 LEU A 89 49.546 -38.917 -56.798 1.00 2.42 C ATOM 1297 CD2 LEU A 89 51.425 -38.971 -58.448 1.00 72.13 C ATOM 0 H LEU A 89 49.558 -37.179 -55.316 1.00 61.54 H new ATOM 0 HA LEU A 89 51.941 -35.767 -56.058 1.00 24.14 H new ATOM 0 HB2 LEU A 89 52.814 -37.906 -56.488 1.00 41.30 H new ATOM 0 HB3 LEU A 89 51.717 -38.138 -55.141 1.00 41.30 H new ATOM 0 HG LEU A 89 51.380 -39.977 -56.567 1.00 62.25 H new ATOM 0 HD11 LEU A 89 49.060 -39.720 -57.352 1.00 2.42 H new ATOM 0 HD12 LEU A 89 49.296 -39.003 -55.741 1.00 2.42 H new ATOM 0 HD13 LEU A 89 49.201 -37.955 -57.176 1.00 2.42 H new ATOM 0 HD21 LEU A 89 50.912 -39.773 -58.979 1.00 72.13 H new ATOM 0 HD22 LEU A 89 51.127 -38.010 -58.867 1.00 72.13 H new ATOM 0 HD23 LEU A 89 52.502 -39.096 -58.556 1.00 72.13 H new ATOM 1309 N THR A 90 52.039 -35.998 -58.637 1.00 4.23 N ATOM 1310 CA THR A 90 51.941 -35.744 -60.068 1.00 75.15 C ATOM 1311 C THR A 90 51.030 -36.762 -60.746 1.00 21.14 C ATOM 1312 O THR A 90 51.440 -37.891 -61.020 1.00 53.23 O ATOM 1313 CB THR A 90 53.325 -35.782 -60.743 1.00 20.14 C ATOM 1314 OG1 THR A 90 53.837 -37.120 -60.736 1.00 14.40 O ATOM 1315 CG2 THR A 90 54.300 -34.857 -60.029 1.00 72.43 C ATOM 0 H THR A 90 52.990 -35.971 -58.269 1.00 4.23 H new ATOM 0 HA THR A 90 51.517 -34.746 -60.183 1.00 75.15 H new ATOM 0 HB THR A 90 53.213 -35.442 -61.772 1.00 20.14 H new ATOM 0 HG1 THR A 90 53.112 -37.747 -60.532 1.00 14.40 H new ATOM 0 HG21 THR A 90 55.271 -34.900 -60.523 1.00 72.43 H new ATOM 0 HG22 THR A 90 53.922 -33.835 -60.061 1.00 72.43 H new ATOM 0 HG23 THR A 90 54.407 -35.172 -58.991 1.00 72.43 H new ATOM 1323 N LEU A 91 49.794 -36.357 -61.013 1.00 54.13 N ATOM 1324 CA LEU A 91 48.824 -37.234 -61.660 1.00 61.41 C ATOM 1325 C LEU A 91 49.394 -37.821 -62.948 1.00 3.34 C ATOM 1326 O LEU A 91 49.065 -38.943 -63.330 1.00 74.44 O ATOM 1327 CB LEU A 91 47.535 -36.468 -61.962 1.00 61.11 C ATOM 1328 CG LEU A 91 47.520 -35.667 -63.264 1.00 41.23 C ATOM 1329 CD1 LEU A 91 46.107 -35.210 -63.594 1.00 24.40 C ATOM 1330 CD2 LEU A 91 48.459 -34.473 -63.167 1.00 21.30 C ATOM 0 H LEU A 91 49.439 -35.427 -60.792 1.00 54.13 H new ATOM 0 HA LEU A 91 48.600 -38.053 -60.977 1.00 61.41 H new ATOM 0 HB2 LEU A 91 46.710 -37.180 -61.987 1.00 61.11 H new ATOM 0 HB3 LEU A 91 47.340 -35.784 -61.136 1.00 61.11 H new ATOM 0 HG LEU A 91 47.868 -36.314 -64.069 1.00 41.23 H new ATOM 0 HD11 LEU A 91 46.116 -34.641 -64.524 1.00 24.40 H new ATOM 0 HD12 LEU A 91 45.460 -36.080 -63.707 1.00 24.40 H new ATOM 0 HD13 LEU A 91 45.731 -34.581 -62.788 1.00 24.40 H new ATOM 0 HD21 LEU A 91 48.435 -33.915 -64.103 1.00 21.30 H new ATOM 0 HD22 LEU A 91 48.141 -33.825 -62.350 1.00 21.30 H new ATOM 0 HD23 LEU A 91 49.474 -34.823 -62.979 1.00 21.30 H new ATOM 1342 N VAL A 92 50.254 -37.054 -63.611 1.00 55.34 N ATOM 1343 CA VAL A 92 50.873 -37.498 -64.854 1.00 73.13 C ATOM 1344 C VAL A 92 51.630 -38.806 -64.654 1.00 71.11 C ATOM 1345 O VAL A 92 51.892 -39.537 -65.609 1.00 64.24 O ATOM 1346 CB VAL A 92 51.841 -36.437 -65.410 1.00 1.13 C ATOM 1347 CG1 VAL A 92 51.128 -35.105 -65.589 1.00 62.24 C ATOM 1348 CG2 VAL A 92 53.047 -36.286 -64.495 1.00 62.10 C ATOM 0 H VAL A 92 50.538 -36.122 -63.308 1.00 55.34 H new ATOM 0 HA VAL A 92 50.067 -37.654 -65.571 1.00 73.13 H new ATOM 0 HB VAL A 92 52.193 -36.768 -66.387 1.00 1.13 H new ATOM 0 HG11 VAL A 92 51.828 -34.368 -65.983 1.00 62.24 H new ATOM 0 HG12 VAL A 92 50.299 -35.227 -66.286 1.00 62.24 H new ATOM 0 HG13 VAL A 92 50.746 -34.765 -64.627 1.00 62.24 H new ATOM 0 HG21 VAL A 92 53.721 -35.532 -64.903 1.00 62.10 H new ATOM 0 HG22 VAL A 92 52.715 -35.978 -63.504 1.00 62.10 H new ATOM 0 HG23 VAL A 92 53.570 -37.239 -64.422 1.00 62.10 H new ATOM 1358 N LYS A 93 51.979 -39.096 -63.405 1.00 72.13 N ATOM 1359 CA LYS A 93 52.705 -40.317 -63.077 1.00 72.22 C ATOM 1360 C LYS A 93 51.813 -41.543 -63.249 1.00 24.02 C ATOM 1361 O LYS A 93 52.203 -42.521 -63.887 1.00 51.24 O ATOM 1362 CB LYS A 93 53.230 -40.253 -61.641 1.00 41.52 C ATOM 1363 CG LYS A 93 53.885 -41.541 -61.174 1.00 71.15 C ATOM 1364 CD LYS A 93 53.130 -42.160 -60.010 1.00 70.21 C ATOM 1365 CE LYS A 93 53.827 -43.410 -59.496 1.00 31.43 C ATOM 1366 NZ LYS A 93 54.476 -43.180 -58.176 1.00 3.05 N ATOM 0 H LYS A 93 51.770 -38.501 -62.603 1.00 72.13 H new ATOM 0 HA LYS A 93 53.548 -40.404 -63.762 1.00 72.22 H new ATOM 0 HB2 LYS A 93 53.951 -39.440 -61.563 1.00 41.52 H new ATOM 0 HB3 LYS A 93 52.404 -40.012 -60.972 1.00 41.52 H new ATOM 0 HG2 LYS A 93 53.926 -42.250 -62.001 1.00 71.15 H new ATOM 0 HG3 LYS A 93 54.914 -41.340 -60.876 1.00 71.15 H new ATOM 0 HD2 LYS A 93 53.043 -41.432 -59.203 1.00 70.21 H new ATOM 0 HD3 LYS A 93 52.117 -42.410 -60.324 1.00 70.21 H new ATOM 0 HE2 LYS A 93 53.103 -44.220 -59.408 1.00 31.43 H new ATOM 0 HE3 LYS A 93 54.577 -43.731 -60.219 1.00 31.43 H new ATOM 0 HZ1 LYS A 93 54.940 -44.055 -57.860 1.00 3.05 H new ATOM 0 HZ2 LYS A 93 55.185 -42.425 -58.265 1.00 3.05 H new ATOM 0 HZ3 LYS A 93 53.756 -42.899 -57.480 1.00 3.05 H new ATOM 1380 N ARG A 94 50.616 -41.483 -62.676 1.00 54.23 N ATOM 1381 CA ARG A 94 49.669 -42.588 -62.767 1.00 21.14 C ATOM 1382 C ARG A 94 49.300 -42.871 -64.220 1.00 43.41 C ATOM 1383 O ARG A 94 49.309 -44.020 -64.662 1.00 21.13 O ATOM 1384 CB ARG A 94 48.407 -42.274 -61.961 1.00 23.22 C ATOM 1385 CG ARG A 94 48.654 -42.152 -60.466 1.00 51.40 C ATOM 1386 CD ARG A 94 49.097 -43.476 -59.864 1.00 53.00 C ATOM 1387 NE ARG A 94 48.153 -44.552 -60.154 1.00 53.12 N ATOM 1388 CZ ARG A 94 48.319 -45.805 -59.747 1.00 21.31 C ATOM 1389 NH1 ARG A 94 49.387 -46.138 -59.035 1.00 61.44 N ATOM 1390 NH2 ARG A 94 47.416 -46.728 -60.051 1.00 33.42 N ATOM 0 H ARG A 94 50.279 -40.681 -62.144 1.00 54.23 H new ATOM 0 HA ARG A 94 50.146 -43.476 -62.352 1.00 21.14 H new ATOM 0 HB2 ARG A 94 47.975 -41.342 -62.327 1.00 23.22 H new ATOM 0 HB3 ARG A 94 47.670 -43.058 -62.136 1.00 23.22 H new ATOM 0 HG2 ARG A 94 49.416 -41.395 -60.283 1.00 51.40 H new ATOM 0 HG3 ARG A 94 47.743 -41.813 -59.972 1.00 51.40 H new ATOM 0 HD2 ARG A 94 50.080 -43.741 -60.254 1.00 53.00 H new ATOM 0 HD3 ARG A 94 49.202 -43.367 -58.785 1.00 53.00 H new ATOM 0 HE ARG A 94 47.320 -44.329 -60.699 1.00 53.12 H new ATOM 0 HH11 ARG A 94 50.083 -45.431 -58.799 1.00 61.44 H new ATOM 0 HH12 ARG A 94 49.512 -47.101 -58.724 1.00 61.44 H new ATOM 0 HH21 ARG A 94 46.593 -46.476 -60.598 1.00 33.42 H new ATOM 0 HH22 ARG A 94 47.545 -47.690 -59.738 1.00 33.42 H new ATOM 1404 N HIS A 95 48.976 -41.814 -64.959 1.00 32.21 N ATOM 1405 CA HIS A 95 48.604 -41.949 -66.363 1.00 13.51 C ATOM 1406 C HIS A 95 49.746 -42.554 -67.172 1.00 65.22 C ATOM 1407 O HIS A 95 49.532 -43.444 -67.995 1.00 42.10 O ATOM 1408 CB HIS A 95 48.218 -40.587 -66.943 1.00 23.24 C ATOM 1409 CG HIS A 95 46.876 -40.101 -66.489 1.00 24.14 C ATOM 1410 ND1 HIS A 95 45.787 -40.933 -66.335 1.00 1.40 N ATOM 1411 CD2 HIS A 95 46.451 -38.861 -66.153 1.00 3.34 C ATOM 1412 CE1 HIS A 95 44.750 -40.224 -65.926 1.00 33.52 C ATOM 1413 NE2 HIS A 95 45.126 -38.964 -65.807 1.00 23.12 N ATOM 0 H HIS A 95 48.964 -40.856 -64.609 1.00 32.21 H new ATOM 0 HA HIS A 95 47.746 -42.618 -66.423 1.00 13.51 H new ATOM 0 HB2 HIS A 95 48.975 -39.854 -66.662 1.00 23.24 H new ATOM 0 HB3 HIS A 95 48.223 -40.650 -68.031 1.00 23.24 H new ATOM 0 HD2 HIS A 95 47.044 -37.958 -66.156 1.00 3.34 H new ATOM 0 HE1 HIS A 95 43.762 -40.610 -65.723 1.00 33.52 H new ATOM 0 HE2 HIS A 95 44.530 -38.193 -65.507 1.00 23.12 H new ATOM 1421 N GLN A 96 50.959 -42.065 -66.933 1.00 31.32 N ATOM 1422 CA GLN A 96 52.134 -42.558 -67.641 1.00 24.00 C ATOM 1423 C GLN A 96 52.436 -44.003 -67.256 1.00 51.41 C ATOM 1424 O GLN A 96 52.932 -44.782 -68.070 1.00 63.52 O ATOM 1425 CB GLN A 96 53.346 -41.674 -67.339 1.00 54.12 C ATOM 1426 CG GLN A 96 54.650 -42.215 -67.902 1.00 74.44 C ATOM 1427 CD GLN A 96 55.498 -41.138 -68.550 1.00 34.52 C ATOM 1428 OE1 GLN A 96 55.654 -41.105 -69.771 1.00 35.12 O ATOM 1429 NE2 GLN A 96 56.051 -40.250 -67.733 1.00 43.20 N ATOM 0 H GLN A 96 51.153 -41.328 -66.255 1.00 31.32 H new ATOM 0 HA GLN A 96 51.924 -42.522 -68.710 1.00 24.00 H new ATOM 0 HB2 GLN A 96 53.169 -40.679 -67.746 1.00 54.12 H new ATOM 0 HB3 GLN A 96 53.444 -41.564 -66.259 1.00 54.12 H new ATOM 0 HG2 GLN A 96 55.219 -42.687 -67.101 1.00 74.44 H new ATOM 0 HG3 GLN A 96 54.430 -42.990 -68.636 1.00 74.44 H new ATOM 0 HE21 GLN A 96 55.895 -40.316 -66.727 1.00 43.20 H new ATOM 0 HE22 GLN A 96 56.632 -39.502 -68.111 1.00 43.20 H new ATOM 1438 N LEU A 97 52.134 -44.353 -66.011 1.00 74.30 N ATOM 1439 CA LEU A 97 52.373 -45.705 -65.517 1.00 74.14 C ATOM 1440 C LEU A 97 51.619 -46.732 -66.357 1.00 24.35 C ATOM 1441 O LEU A 97 52.198 -47.718 -66.816 1.00 0.45 O ATOM 1442 CB LEU A 97 51.948 -45.817 -64.052 1.00 51.40 C ATOM 1443 CG LEU A 97 53.058 -45.639 -63.016 1.00 44.30 C ATOM 1444 CD1 LEU A 97 52.492 -45.721 -61.607 1.00 61.30 C ATOM 1445 CD2 LEU A 97 54.148 -46.682 -63.217 1.00 75.31 C ATOM 0 H LEU A 97 51.723 -43.720 -65.325 1.00 74.30 H new ATOM 0 HA LEU A 97 53.441 -45.911 -65.596 1.00 74.14 H new ATOM 0 HB2 LEU A 97 51.176 -45.071 -63.860 1.00 51.40 H new ATOM 0 HB3 LEU A 97 51.491 -46.795 -63.901 1.00 51.40 H new ATOM 0 HG LEU A 97 53.499 -44.651 -63.151 1.00 44.30 H new ATOM 0 HD11 LEU A 97 53.297 -45.592 -60.883 1.00 61.30 H new ATOM 0 HD12 LEU A 97 51.749 -44.936 -61.467 1.00 61.30 H new ATOM 0 HD13 LEU A 97 52.024 -46.694 -61.459 1.00 61.30 H new ATOM 0 HD21 LEU A 97 54.930 -46.540 -62.471 1.00 75.31 H new ATOM 0 HD22 LEU A 97 53.721 -47.679 -63.110 1.00 75.31 H new ATOM 0 HD23 LEU A 97 54.575 -46.575 -64.214 1.00 75.31 H new ATOM 1457 N ILE A 98 50.327 -46.494 -66.554 1.00 63.14 N ATOM 1458 CA ILE A 98 49.496 -47.397 -67.341 1.00 43.22 C ATOM 1459 C ILE A 98 49.620 -47.099 -68.832 1.00 21.33 C ATOM 1460 O ILE A 98 49.356 -47.960 -69.671 1.00 63.43 O ATOM 1461 CB ILE A 98 48.015 -47.300 -66.931 1.00 40.31 C ATOM 1462 CG1 ILE A 98 47.436 -45.946 -67.347 1.00 73.14 C ATOM 1463 CG2 ILE A 98 47.866 -47.507 -65.431 1.00 70.24 C ATOM 1464 CD1 ILE A 98 45.929 -45.873 -67.234 1.00 60.10 C ATOM 0 H ILE A 98 49.833 -45.684 -66.180 1.00 63.14 H new ATOM 0 HA ILE A 98 49.854 -48.408 -67.144 1.00 43.22 H new ATOM 0 HB ILE A 98 47.459 -48.085 -67.444 1.00 40.31 H new ATOM 0 HG12 ILE A 98 47.877 -45.165 -66.727 1.00 73.14 H new ATOM 0 HG13 ILE A 98 47.726 -45.737 -68.377 1.00 73.14 H new ATOM 0 HG21 ILE A 98 46.814 -47.436 -65.157 1.00 70.24 H new ATOM 0 HG22 ILE A 98 48.245 -48.492 -65.160 1.00 70.24 H new ATOM 0 HG23 ILE A 98 48.432 -46.742 -64.900 1.00 70.24 H new ATOM 0 HD11 ILE A 98 45.588 -44.885 -67.545 1.00 60.10 H new ATOM 0 HD12 ILE A 98 45.479 -46.631 -67.875 1.00 60.10 H new ATOM 0 HD13 ILE A 98 45.633 -46.050 -66.200 1.00 60.10 H new ATOM 1476 N TYR A 99 50.025 -45.876 -69.153 1.00 54.43 N ATOM 1477 CA TYR A 99 50.183 -45.464 -70.543 1.00 3.41 C ATOM 1478 C TYR A 99 49.088 -46.065 -71.418 1.00 32.30 C ATOM 1479 O TYR A 99 49.368 -46.735 -72.411 1.00 44.22 O ATOM 1480 CB TYR A 99 51.558 -45.882 -71.067 1.00 72.42 C ATOM 1481 CG TYR A 99 51.901 -47.327 -70.780 1.00 42.30 C ATOM 1482 CD1 TYR A 99 52.521 -47.690 -69.591 1.00 32.43 C ATOM 1483 CD2 TYR A 99 51.607 -48.327 -71.698 1.00 30.21 C ATOM 1484 CE1 TYR A 99 52.837 -49.009 -69.324 1.00 41.41 C ATOM 1485 CE2 TYR A 99 51.918 -49.648 -71.439 1.00 42.02 C ATOM 1486 CZ TYR A 99 52.533 -49.984 -70.251 1.00 43.41 C ATOM 1487 OH TYR A 99 52.846 -51.298 -69.990 1.00 63.03 O ATOM 0 H TYR A 99 50.250 -45.152 -68.470 1.00 54.43 H new ATOM 0 HA TYR A 99 50.100 -44.378 -70.585 1.00 3.41 H new ATOM 0 HB2 TYR A 99 51.593 -45.716 -72.144 1.00 72.42 H new ATOM 0 HB3 TYR A 99 52.318 -45.241 -70.620 1.00 72.42 H new ATOM 0 HD1 TYR A 99 52.760 -46.929 -68.863 1.00 32.43 H new ATOM 0 HD2 TYR A 99 51.127 -48.068 -72.630 1.00 30.21 H new ATOM 0 HE1 TYR A 99 53.319 -49.275 -68.395 1.00 41.41 H new ATOM 0 HE2 TYR A 99 51.681 -50.414 -72.163 1.00 42.02 H new ATOM 0 HH TYR A 99 52.564 -51.857 -70.744 1.00 63.03 H new ATOM 1497 N GLY A 100 47.837 -45.820 -71.041 1.00 34.22 N ATOM 1498 CA GLY A 100 46.717 -46.344 -71.801 1.00 14.51 C ATOM 1499 C GLY A 100 46.109 -45.308 -72.726 1.00 42.30 C ATOM 1500 O GLY A 100 45.701 -45.626 -73.844 1.00 1.31 O ATOM 0 H GLY A 100 47.579 -45.268 -70.223 1.00 34.22 H new ATOM 0 HA2 GLY A 100 47.049 -47.200 -72.388 1.00 14.51 H new ATOM 0 HA3 GLY A 100 45.953 -46.706 -71.113 1.00 14.51 H new ATOM 1504 N LEU A 101 46.047 -44.065 -72.260 1.00 71.14 N ATOM 1505 CA LEU A 101 45.483 -42.978 -73.053 1.00 72.34 C ATOM 1506 C LEU A 101 46.156 -42.895 -74.420 1.00 11.14 C ATOM 1507 O LEU A 101 47.275 -43.376 -74.603 1.00 0.13 O ATOM 1508 CB LEU A 101 45.637 -41.648 -72.314 1.00 41.01 C ATOM 1509 CG LEU A 101 44.505 -41.278 -71.355 1.00 23.01 C ATOM 1510 CD1 LEU A 101 45.006 -41.264 -69.919 1.00 32.01 C ATOM 1511 CD2 LEU A 101 43.910 -39.928 -71.727 1.00 43.14 C ATOM 0 H LEU A 101 46.380 -43.785 -71.337 1.00 71.14 H new ATOM 0 HA LEU A 101 44.423 -43.182 -73.203 1.00 72.34 H new ATOM 0 HB2 LEU A 101 46.570 -41.674 -71.750 1.00 41.01 H new ATOM 0 HB3 LEU A 101 45.734 -40.853 -73.054 1.00 41.01 H new ATOM 0 HG LEU A 101 43.723 -42.032 -71.439 1.00 23.01 H new ATOM 0 HD11 LEU A 101 44.187 -40.999 -69.250 1.00 32.01 H new ATOM 0 HD12 LEU A 101 45.384 -42.252 -69.656 1.00 32.01 H new ATOM 0 HD13 LEU A 101 45.807 -40.531 -69.820 1.00 32.01 H new ATOM 0 HD21 LEU A 101 43.106 -39.681 -71.034 1.00 43.14 H new ATOM 0 HD22 LEU A 101 44.684 -39.162 -71.673 1.00 43.14 H new ATOM 0 HD23 LEU A 101 43.514 -39.972 -72.741 1.00 43.14 H new ATOM 1523 N LEU A 102 45.468 -42.280 -75.375 1.00 43.04 N ATOM 1524 CA LEU A 102 46.000 -42.131 -76.726 1.00 3.14 C ATOM 1525 C LEU A 102 46.149 -43.488 -77.405 1.00 71.33 C ATOM 1526 O LEU A 102 47.099 -43.718 -78.153 1.00 61.52 O ATOM 1527 CB LEU A 102 47.352 -41.417 -76.686 1.00 45.32 C ATOM 1528 CG LEU A 102 47.778 -40.713 -77.975 1.00 73.14 C ATOM 1529 CD1 LEU A 102 47.120 -39.346 -78.079 1.00 40.22 C ATOM 1530 CD2 LEU A 102 49.293 -40.584 -78.038 1.00 33.31 C ATOM 0 H LEU A 102 44.541 -41.876 -75.240 1.00 43.04 H new ATOM 0 HA LEU A 102 45.296 -41.532 -77.304 1.00 3.14 H new ATOM 0 HB2 LEU A 102 47.327 -40.679 -75.884 1.00 45.32 H new ATOM 0 HB3 LEU A 102 48.118 -42.147 -76.424 1.00 45.32 H new ATOM 0 HG LEU A 102 47.450 -41.317 -78.821 1.00 73.14 H new ATOM 0 HD11 LEU A 102 47.435 -38.860 -79.002 1.00 40.22 H new ATOM 0 HD12 LEU A 102 46.036 -39.463 -78.082 1.00 40.22 H new ATOM 0 HD13 LEU A 102 47.417 -38.734 -77.227 1.00 40.22 H new ATOM 0 HD21 LEU A 102 49.577 -40.081 -78.962 1.00 33.31 H new ATOM 0 HD22 LEU A 102 49.644 -40.003 -77.185 1.00 33.31 H new ATOM 0 HD23 LEU A 102 49.744 -41.576 -78.012 1.00 33.31 H new ATOM 1542 N SER A 103 45.202 -44.383 -77.142 1.00 22.24 N ATOM 1543 CA SER A 103 45.228 -45.719 -77.727 1.00 4.34 C ATOM 1544 C SER A 103 44.023 -45.937 -78.636 1.00 30.32 C ATOM 1545 O SER A 103 44.128 -45.839 -79.859 1.00 12.25 O ATOM 1546 CB SER A 103 45.250 -46.780 -76.625 1.00 61.53 C ATOM 1547 OG SER A 103 44.201 -46.573 -75.696 1.00 10.43 O ATOM 0 H SER A 103 44.407 -44.207 -76.528 1.00 22.24 H new ATOM 0 HA SER A 103 46.134 -45.810 -78.327 1.00 4.34 H new ATOM 0 HB2 SER A 103 45.157 -47.771 -77.069 1.00 61.53 H new ATOM 0 HB3 SER A 103 46.209 -46.751 -76.108 1.00 61.53 H new ATOM 0 HG SER A 103 44.567 -46.196 -74.868 1.00 10.43 H new ATOM 1553 N ASP A 104 42.879 -46.235 -78.029 1.00 50.45 N ATOM 1554 CA ASP A 104 41.652 -46.467 -78.783 1.00 1.51 C ATOM 1555 C ASP A 104 41.015 -45.146 -79.204 1.00 11.14 C ATOM 1556 O ASP A 104 40.280 -45.087 -80.189 1.00 44.00 O ATOM 1557 CB ASP A 104 40.663 -47.282 -77.949 1.00 15.42 C ATOM 1558 CG ASP A 104 39.424 -47.668 -78.734 1.00 2.45 C ATOM 1559 OD1 ASP A 104 38.628 -46.765 -79.068 1.00 31.22 O ATOM 1560 OD2 ASP A 104 39.252 -48.872 -79.014 1.00 54.12 O ATOM 0 H ASP A 104 42.776 -46.322 -77.018 1.00 50.45 H new ATOM 0 HA ASP A 104 41.907 -47.029 -79.682 1.00 1.51 H new ATOM 0 HB2 ASP A 104 41.155 -48.184 -77.586 1.00 15.42 H new ATOM 0 HB3 ASP A 104 40.369 -46.705 -77.072 1.00 15.42 H new ATOM 1565 N GLU A 105 41.301 -44.090 -78.449 1.00 10.51 N ATOM 1566 CA GLU A 105 40.754 -42.770 -78.743 1.00 73.44 C ATOM 1567 C GLU A 105 41.183 -42.301 -80.130 1.00 50.54 C ATOM 1568 O GLU A 105 40.423 -41.637 -80.836 1.00 70.22 O ATOM 1569 CB GLU A 105 41.206 -41.759 -77.688 1.00 35.12 C ATOM 1570 CG GLU A 105 42.010 -40.603 -78.258 1.00 15.43 C ATOM 1571 CD GLU A 105 42.530 -39.668 -77.183 1.00 23.43 C ATOM 1572 OE1 GLU A 105 43.087 -40.166 -76.182 1.00 62.21 O ATOM 1573 OE2 GLU A 105 42.381 -38.439 -77.343 1.00 14.22 O ATOM 0 H GLU A 105 41.908 -44.122 -77.630 1.00 10.51 H new ATOM 0 HA GLU A 105 39.667 -42.843 -78.723 1.00 73.44 H new ATOM 0 HB2 GLU A 105 40.328 -41.363 -77.177 1.00 35.12 H new ATOM 0 HB3 GLU A 105 41.807 -42.273 -76.938 1.00 35.12 H new ATOM 0 HG2 GLU A 105 42.851 -40.997 -78.829 1.00 15.43 H new ATOM 0 HG3 GLU A 105 41.387 -40.040 -78.954 1.00 15.43 H new ATOM 1580 N PHE A 106 42.407 -42.649 -80.514 1.00 53.21 N ATOM 1581 CA PHE A 106 42.939 -42.262 -81.816 1.00 31.05 C ATOM 1582 C PHE A 106 42.003 -42.700 -82.938 1.00 14.10 C ATOM 1583 O PHE A 106 41.870 -42.017 -83.954 1.00 12.13 O ATOM 1584 CB PHE A 106 44.326 -42.873 -82.025 1.00 73.42 C ATOM 1585 CG PHE A 106 44.890 -42.624 -83.395 1.00 33.51 C ATOM 1586 CD1 PHE A 106 45.437 -41.394 -83.720 1.00 3.01 C ATOM 1587 CD2 PHE A 106 44.872 -43.621 -84.357 1.00 52.15 C ATOM 1588 CE1 PHE A 106 45.958 -41.162 -84.979 1.00 54.43 C ATOM 1589 CE2 PHE A 106 45.391 -43.395 -85.618 1.00 52.42 C ATOM 1590 CZ PHE A 106 45.933 -42.163 -85.930 1.00 22.11 C ATOM 0 H PHE A 106 43.049 -43.198 -79.942 1.00 53.21 H new ATOM 0 HA PHE A 106 43.021 -41.175 -81.839 1.00 31.05 H new ATOM 0 HB2 PHE A 106 45.010 -42.466 -81.280 1.00 73.42 H new ATOM 0 HB3 PHE A 106 44.270 -43.948 -81.853 1.00 73.42 H new ATOM 0 HD1 PHE A 106 45.457 -40.607 -82.981 1.00 3.01 H new ATOM 0 HD2 PHE A 106 44.448 -44.585 -84.119 1.00 52.15 H new ATOM 0 HE1 PHE A 106 46.384 -40.199 -85.219 1.00 54.43 H new ATOM 0 HE2 PHE A 106 45.373 -44.181 -86.359 1.00 52.42 H new ATOM 0 HZ PHE A 106 46.336 -41.983 -86.916 1.00 22.11 H new ATOM 1600 N LYS A 107 41.355 -43.845 -82.748 1.00 4.44 N ATOM 1601 CA LYS A 107 40.430 -44.376 -83.742 1.00 4.32 C ATOM 1602 C LYS A 107 39.147 -43.552 -83.786 1.00 23.11 C ATOM 1603 O LYS A 107 38.456 -43.517 -84.803 1.00 72.32 O ATOM 1604 CB LYS A 107 40.100 -45.838 -83.432 1.00 3.52 C ATOM 1605 CG LYS A 107 38.841 -46.336 -84.119 1.00 53.51 C ATOM 1606 CD LYS A 107 38.941 -47.812 -84.466 1.00 0.43 C ATOM 1607 CE LYS A 107 37.822 -48.613 -83.819 1.00 30.33 C ATOM 1608 NZ LYS A 107 37.337 -49.705 -84.707 1.00 74.24 N ATOM 0 H LYS A 107 41.454 -44.423 -81.914 1.00 4.44 H new ATOM 0 HA LYS A 107 40.912 -44.318 -84.718 1.00 4.32 H new ATOM 0 HB2 LYS A 107 40.940 -46.463 -83.734 1.00 3.52 H new ATOM 0 HB3 LYS A 107 39.986 -45.955 -82.354 1.00 3.52 H new ATOM 0 HG2 LYS A 107 37.982 -46.172 -83.469 1.00 53.51 H new ATOM 0 HG3 LYS A 107 38.669 -45.759 -85.027 1.00 53.51 H new ATOM 0 HD2 LYS A 107 38.900 -47.936 -85.548 1.00 0.43 H new ATOM 0 HD3 LYS A 107 39.905 -48.200 -84.137 1.00 0.43 H new ATOM 0 HE2 LYS A 107 38.176 -49.039 -82.880 1.00 30.33 H new ATOM 0 HE3 LYS A 107 36.993 -47.948 -83.575 1.00 30.33 H new ATOM 0 HZ1 LYS A 107 36.575 -50.228 -84.230 1.00 74.24 H new ATOM 0 HZ2 LYS A 107 36.976 -49.297 -85.593 1.00 74.24 H new ATOM 0 HZ3 LYS A 107 38.121 -50.354 -84.919 1.00 74.24 H new ATOM 1622 N ALA A 108 38.836 -42.890 -82.677 1.00 3.54 N ATOM 1623 CA ALA A 108 37.638 -42.064 -82.591 1.00 5.54 C ATOM 1624 C ALA A 108 37.761 -40.825 -83.472 1.00 3.15 C ATOM 1625 O ALA A 108 36.893 -40.551 -84.298 1.00 53.44 O ATOM 1626 CB ALA A 108 37.376 -41.663 -81.146 1.00 45.44 C ATOM 0 H ALA A 108 39.397 -42.909 -81.825 1.00 3.54 H new ATOM 0 HA ALA A 108 36.794 -42.652 -82.952 1.00 5.54 H new ATOM 0 HB1 ALA A 108 36.478 -41.046 -81.097 1.00 45.44 H new ATOM 0 HB2 ALA A 108 37.235 -42.558 -80.540 1.00 45.44 H new ATOM 0 HB3 ALA A 108 38.226 -41.097 -80.766 1.00 45.44 H new ATOM 1632 N GLY A 109 38.847 -40.079 -83.288 1.00 14.21 N ATOM 1633 CA GLY A 109 39.062 -38.877 -84.073 1.00 23.41 C ATOM 1634 C GLY A 109 38.834 -37.612 -83.270 1.00 51.25 C ATOM 1635 O GLY A 109 39.065 -36.506 -83.762 1.00 21.14 O ATOM 0 H GLY A 109 39.581 -40.286 -82.610 1.00 14.21 H new ATOM 0 HA2 GLY A 109 40.080 -38.878 -84.462 1.00 23.41 H new ATOM 0 HA3 GLY A 109 38.392 -38.884 -84.933 1.00 23.41 H new ATOM 1639 N LEU A 110 38.377 -37.772 -82.033 1.00 64.03 N ATOM 1640 CA LEU A 110 38.116 -36.633 -81.161 1.00 14.52 C ATOM 1641 C LEU A 110 38.971 -36.705 -79.900 1.00 15.34 C ATOM 1642 O LEU A 110 39.236 -37.788 -79.378 1.00 21.20 O ATOM 1643 CB LEU A 110 36.634 -36.583 -80.784 1.00 71.31 C ATOM 1644 CG LEU A 110 35.947 -37.935 -80.584 1.00 10.31 C ATOM 1645 CD1 LEU A 110 35.747 -38.635 -81.919 1.00 54.41 C ATOM 1646 CD2 LEU A 110 36.756 -38.809 -79.637 1.00 62.34 C ATOM 0 H LEU A 110 38.180 -38.680 -81.612 1.00 64.03 H new ATOM 0 HA LEU A 110 38.378 -35.724 -81.703 1.00 14.52 H new ATOM 0 HB2 LEU A 110 36.533 -36.007 -79.864 1.00 71.31 H new ATOM 0 HB3 LEU A 110 36.100 -36.038 -81.562 1.00 71.31 H new ATOM 0 HG LEU A 110 34.968 -37.761 -80.138 1.00 10.31 H new ATOM 0 HD11 LEU A 110 35.257 -39.595 -81.757 1.00 54.41 H new ATOM 0 HD12 LEU A 110 35.126 -38.015 -82.565 1.00 54.41 H new ATOM 0 HD13 LEU A 110 36.715 -38.797 -82.393 1.00 54.41 H new ATOM 0 HD21 LEU A 110 36.252 -39.767 -79.506 1.00 62.34 H new ATOM 0 HD22 LEU A 110 37.749 -38.975 -80.054 1.00 62.34 H new ATOM 0 HD23 LEU A 110 36.847 -38.312 -78.671 1.00 62.34 H new ATOM 1658 N HIS A 111 39.397 -35.544 -79.413 1.00 3.41 N ATOM 1659 CA HIS A 111 40.220 -35.475 -78.210 1.00 41.25 C ATOM 1660 C HIS A 111 39.609 -36.305 -77.086 1.00 21.31 C ATOM 1661 O HIS A 111 38.463 -36.744 -77.177 1.00 51.24 O ATOM 1662 CB HIS A 111 40.380 -34.023 -77.759 1.00 1.10 C ATOM 1663 CG HIS A 111 41.702 -33.423 -78.129 1.00 14.21 C ATOM 1664 ND1 HIS A 111 42.901 -34.080 -77.956 1.00 4.11 N ATOM 1665 CD2 HIS A 111 42.008 -32.219 -78.667 1.00 73.24 C ATOM 1666 CE1 HIS A 111 43.889 -33.306 -78.370 1.00 55.22 C ATOM 1667 NE2 HIS A 111 43.373 -32.171 -78.807 1.00 71.02 N ATOM 0 H HIS A 111 39.186 -34.638 -79.832 1.00 3.41 H new ATOM 0 HA HIS A 111 41.202 -35.884 -78.447 1.00 41.25 H new ATOM 0 HB2 HIS A 111 39.583 -33.424 -78.199 1.00 1.10 H new ATOM 0 HB3 HIS A 111 40.257 -33.972 -76.677 1.00 1.10 H new ATOM 0 HD2 HIS A 111 41.309 -31.441 -78.936 1.00 73.24 H new ATOM 0 HE1 HIS A 111 44.939 -33.558 -78.354 1.00 55.22 H new ATOM 0 HE2 HIS A 111 43.903 -31.386 -79.187 1.00 71.02 H new ATOM 1675 N ALA A 112 40.383 -36.518 -76.026 1.00 54.32 N ATOM 1676 CA ALA A 112 39.917 -37.294 -74.884 1.00 20.31 C ATOM 1677 C ALA A 112 40.329 -36.639 -73.570 1.00 64.21 C ATOM 1678 O ALA A 112 41.228 -35.798 -73.539 1.00 44.33 O ATOM 1679 CB ALA A 112 40.454 -38.716 -74.958 1.00 74.13 C ATOM 0 H ALA A 112 41.335 -36.164 -75.935 1.00 54.32 H new ATOM 0 HA ALA A 112 38.828 -37.326 -74.918 1.00 20.31 H new ATOM 0 HB1 ALA A 112 40.098 -39.284 -74.099 1.00 74.13 H new ATOM 0 HB2 ALA A 112 40.105 -39.189 -75.876 1.00 74.13 H new ATOM 0 HB3 ALA A 112 41.544 -38.694 -74.952 1.00 74.13 H new ATOM 1685 N LEU A 113 39.667 -37.029 -72.487 1.00 21.34 N ATOM 1686 CA LEU A 113 39.965 -36.479 -71.169 1.00 34.24 C ATOM 1687 C LEU A 113 40.250 -37.592 -70.166 1.00 34.44 C ATOM 1688 O LEU A 113 39.559 -38.611 -70.141 1.00 10.44 O ATOM 1689 CB LEU A 113 38.798 -35.621 -70.677 1.00 53.13 C ATOM 1690 CG LEU A 113 37.401 -36.212 -70.872 1.00 20.22 C ATOM 1691 CD1 LEU A 113 36.651 -36.257 -69.549 1.00 43.14 C ATOM 1692 CD2 LEU A 113 36.621 -35.409 -71.902 1.00 73.34 C ATOM 0 H LEU A 113 38.920 -37.724 -72.495 1.00 21.34 H new ATOM 0 HA LEU A 113 40.855 -35.856 -71.256 1.00 34.24 H new ATOM 0 HB2 LEU A 113 38.942 -35.423 -69.615 1.00 53.13 H new ATOM 0 HB3 LEU A 113 38.839 -34.660 -71.189 1.00 53.13 H new ATOM 0 HG LEU A 113 37.507 -37.232 -71.241 1.00 20.22 H new ATOM 0 HD11 LEU A 113 35.659 -36.680 -69.707 1.00 43.14 H new ATOM 0 HD12 LEU A 113 37.201 -36.876 -68.840 1.00 43.14 H new ATOM 0 HD13 LEU A 113 36.555 -35.247 -69.151 1.00 43.14 H new ATOM 0 HD21 LEU A 113 35.630 -35.844 -72.028 1.00 73.34 H new ATOM 0 HD22 LEU A 113 36.524 -34.378 -71.562 1.00 73.34 H new ATOM 0 HD23 LEU A 113 37.149 -35.429 -72.855 1.00 73.34 H new ATOM 1704 N ALA A 114 41.270 -37.390 -69.339 1.00 3.11 N ATOM 1705 CA ALA A 114 41.644 -38.374 -68.331 1.00 32.31 C ATOM 1706 C ALA A 114 41.979 -37.701 -67.004 1.00 63.52 C ATOM 1707 O ALA A 114 42.559 -36.616 -66.977 1.00 73.12 O ATOM 1708 CB ALA A 114 42.822 -39.206 -68.816 1.00 43.52 C ATOM 0 H ALA A 114 41.853 -36.553 -69.347 1.00 3.11 H new ATOM 0 HA ALA A 114 40.791 -39.033 -68.169 1.00 32.31 H new ATOM 0 HB1 ALA A 114 43.090 -39.937 -68.053 1.00 43.52 H new ATOM 0 HB2 ALA A 114 42.547 -39.725 -69.734 1.00 43.52 H new ATOM 0 HB3 ALA A 114 43.674 -38.553 -69.009 1.00 43.52 H new ATOM 1714 N MET A 115 41.611 -38.353 -65.906 1.00 14.31 N ATOM 1715 CA MET A 115 41.874 -37.816 -64.575 1.00 75.45 C ATOM 1716 C MET A 115 42.236 -38.933 -63.601 1.00 44.34 C ATOM 1717 O MET A 115 41.447 -39.849 -63.368 1.00 41.21 O ATOM 1718 CB MET A 115 40.653 -37.051 -64.061 1.00 21.05 C ATOM 1719 CG MET A 115 39.830 -36.406 -65.164 1.00 22.01 C ATOM 1720 SD MET A 115 38.786 -35.066 -64.559 1.00 31.41 S ATOM 1721 CE MET A 115 38.535 -34.127 -66.063 1.00 72.11 C ATOM 0 H MET A 115 41.130 -39.253 -65.911 1.00 14.31 H new ATOM 0 HA MET A 115 42.719 -37.131 -64.646 1.00 75.45 H new ATOM 0 HB2 MET A 115 40.018 -37.734 -63.497 1.00 21.05 H new ATOM 0 HB3 MET A 115 40.984 -36.278 -63.367 1.00 21.05 H new ATOM 0 HG2 MET A 115 40.499 -36.021 -65.933 1.00 22.01 H new ATOM 0 HG3 MET A 115 39.205 -37.164 -65.636 1.00 22.01 H new ATOM 0 HE1 MET A 115 37.906 -33.262 -65.851 1.00 72.11 H new ATOM 0 HE2 MET A 115 39.498 -33.790 -66.446 1.00 72.11 H new ATOM 0 HE3 MET A 115 38.048 -34.756 -66.808 1.00 72.11 H new ATOM 1731 N THR A 116 43.436 -38.851 -63.035 1.00 3.14 N ATOM 1732 CA THR A 116 43.904 -39.855 -62.087 1.00 40.41 C ATOM 1733 C THR A 116 44.176 -39.236 -60.721 1.00 25.23 C ATOM 1734 O THR A 116 44.953 -38.288 -60.600 1.00 21.12 O ATOM 1735 CB THR A 116 45.185 -40.547 -62.589 1.00 61.21 C ATOM 1736 OG1 THR A 116 45.658 -41.474 -61.606 1.00 22.42 O ATOM 1737 CG2 THR A 116 46.270 -39.525 -62.893 1.00 14.33 C ATOM 0 H THR A 116 44.102 -38.100 -63.217 1.00 3.14 H new ATOM 0 HA THR A 116 43.111 -40.597 -61.995 1.00 40.41 H new ATOM 0 HB THR A 116 44.946 -41.082 -63.508 1.00 61.21 H new ATOM 0 HG1 THR A 116 45.706 -42.371 -61.998 1.00 22.42 H new ATOM 0 HG21 THR A 116 47.165 -40.038 -63.246 1.00 14.33 H new ATOM 0 HG22 THR A 116 45.918 -38.839 -63.663 1.00 14.33 H new ATOM 0 HG23 THR A 116 46.506 -38.965 -61.988 1.00 14.33 H new ATOM 1745 N THR A 117 43.533 -39.779 -59.692 1.00 1.14 N ATOM 1746 CA THR A 117 43.706 -39.280 -58.333 1.00 52.02 C ATOM 1747 C THR A 117 44.237 -40.371 -57.410 1.00 41.32 C ATOM 1748 O THR A 117 43.580 -41.389 -57.193 1.00 23.21 O ATOM 1749 CB THR A 117 42.382 -38.739 -57.761 1.00 10.12 C ATOM 1750 OG1 THR A 117 42.498 -38.557 -56.345 1.00 44.54 O ATOM 1751 CG2 THR A 117 41.233 -39.690 -58.062 1.00 5.11 C ATOM 0 H THR A 117 42.888 -40.565 -59.774 1.00 1.14 H new ATOM 0 HA THR A 117 44.430 -38.467 -58.384 1.00 52.02 H new ATOM 0 HB THR A 117 42.173 -37.780 -58.235 1.00 10.12 H new ATOM 0 HG1 THR A 117 41.653 -38.211 -55.989 1.00 44.54 H new ATOM 0 HG21 THR A 117 40.309 -39.287 -57.648 1.00 5.11 H new ATOM 0 HG22 THR A 117 41.128 -39.804 -59.141 1.00 5.11 H new ATOM 0 HG23 THR A 117 41.438 -40.662 -57.613 1.00 5.11 H new ATOM 1759 N LYS A 118 45.430 -40.151 -56.868 1.00 63.33 N ATOM 1760 CA LYS A 118 46.050 -41.115 -55.966 1.00 43.52 C ATOM 1761 C LYS A 118 46.722 -40.407 -54.794 1.00 24.43 C ATOM 1762 O LYS A 118 47.222 -39.290 -54.932 1.00 62.41 O ATOM 1763 CB LYS A 118 47.077 -41.963 -56.720 1.00 52.12 C ATOM 1764 CG LYS A 118 47.707 -43.052 -55.870 1.00 65.32 C ATOM 1765 CD LYS A 118 49.187 -42.794 -55.641 1.00 22.21 C ATOM 1766 CE LYS A 118 50.051 -43.787 -56.404 1.00 10.13 C ATOM 1767 NZ LYS A 118 50.753 -44.729 -55.489 1.00 32.13 N ATOM 0 H LYS A 118 45.987 -39.314 -57.038 1.00 63.33 H new ATOM 0 HA LYS A 118 45.268 -41.766 -55.575 1.00 43.52 H new ATOM 0 HB2 LYS A 118 46.594 -42.421 -57.583 1.00 52.12 H new ATOM 0 HB3 LYS A 118 47.863 -41.312 -57.103 1.00 52.12 H new ATOM 0 HG2 LYS A 118 47.194 -43.108 -54.910 1.00 65.32 H new ATOM 0 HG3 LYS A 118 47.576 -44.018 -56.359 1.00 65.32 H new ATOM 0 HD2 LYS A 118 49.433 -41.780 -55.955 1.00 22.21 H new ATOM 0 HD3 LYS A 118 49.408 -42.861 -54.576 1.00 22.21 H new ATOM 0 HE2 LYS A 118 49.429 -44.351 -57.098 1.00 10.13 H new ATOM 0 HE3 LYS A 118 50.785 -43.246 -57.001 1.00 10.13 H new ATOM 0 HZ1 LYS A 118 51.331 -45.389 -56.047 1.00 32.13 H new ATOM 0 HZ2 LYS A 118 51.367 -44.193 -54.843 1.00 32.13 H new ATOM 0 HZ3 LYS A 118 50.052 -45.264 -54.937 1.00 32.13 H new ATOM 1781 N THR A 119 46.733 -41.065 -53.639 1.00 33.55 N ATOM 1782 CA THR A 119 47.344 -40.500 -52.442 1.00 73.13 C ATOM 1783 C THR A 119 48.837 -40.270 -52.644 1.00 21.42 C ATOM 1784 O THR A 119 49.470 -40.869 -53.514 1.00 51.20 O ATOM 1785 CB THR A 119 47.137 -41.415 -51.220 1.00 52.41 C ATOM 1786 OG1 THR A 119 47.170 -42.788 -51.624 1.00 40.25 O ATOM 1787 CG2 THR A 119 45.811 -41.114 -50.537 1.00 42.43 C ATOM 0 H THR A 119 46.325 -41.991 -53.507 1.00 33.55 H new ATOM 0 HA THR A 119 46.854 -39.544 -52.257 1.00 73.13 H new ATOM 0 HB THR A 119 47.944 -41.226 -50.512 1.00 52.41 H new ATOM 0 HG1 THR A 119 47.039 -43.363 -50.841 1.00 40.25 H new ATOM 0 HG21 THR A 119 45.687 -41.772 -49.677 1.00 42.43 H new ATOM 0 HG22 THR A 119 45.801 -40.076 -50.204 1.00 42.43 H new ATOM 0 HG23 THR A 119 44.994 -41.278 -51.240 1.00 42.43 H new