USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 41:sc= 0.47 USER MOD Set 1.2: A 83 SER OG : rot -67:sc= 0.1 USER MOD Set 2.1: A 53 ASN : amide:sc= -4.1! C(o=-12!,f=-11!) USER MOD Set 2.2: A 76 HIS : no HD1:sc= -8.06! C(o=-12!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -102:sc= 0.899 USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 0.0991 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.128 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.028 (180deg=-0.241) USER MOD Single : A 55 SER OG : rot 100:sc= 0.0967 USER MOD Single : A 56 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.45) USER MOD Single : A 75 THR OG1 : rot -29:sc= 0.0238 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 14:sc= 1 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -3.02 K(o=-3,f=-5.8!) USER MOD Single : A 96 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.66) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 61:sc= 0.227 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HE2:sc= 0.408 K(o=0.41,f=-2.1!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -129:sc= -0.119 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -22:sc= -2.37 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 32.783 -40.811 -73.449 1.00 22.05 N ATOM 472 CA ALA A 33 32.257 -41.595 -74.559 1.00 62.10 C ATOM 473 C ALA A 33 31.415 -42.763 -74.056 1.00 41.33 C ATOM 474 O ALA A 33 31.428 -43.084 -72.869 1.00 31.21 O ATOM 475 CB ALA A 33 33.395 -42.100 -75.434 1.00 31.42 C ATOM 0 HA ALA A 33 31.614 -40.948 -75.156 1.00 62.10 H new ATOM 0 HB1 ALA A 33 32.988 -42.684 -76.259 1.00 31.42 H new ATOM 0 HB2 ALA A 33 33.953 -41.252 -75.830 1.00 31.42 H new ATOM 0 HB3 ALA A 33 34.060 -42.726 -74.840 1.00 31.42 H new ATOM 481 N GLY A 34 30.682 -43.394 -74.969 1.00 24.33 N ATOM 482 CA GLY A 34 29.844 -44.519 -74.598 1.00 14.13 C ATOM 483 C GLY A 34 30.609 -45.590 -73.845 1.00 53.45 C ATOM 484 O GLY A 34 30.079 -46.209 -72.924 1.00 15.13 O ATOM 0 H GLY A 34 30.654 -43.146 -75.958 1.00 24.33 H new ATOM 0 HA2 GLY A 34 29.018 -44.165 -73.981 1.00 14.13 H new ATOM 0 HA3 GLY A 34 29.406 -44.954 -75.497 1.00 14.13 H new ATOM 488 N ALA A 35 31.859 -45.809 -74.240 1.00 74.32 N ATOM 489 CA ALA A 35 32.698 -46.812 -73.597 1.00 32.34 C ATOM 490 C ALA A 35 32.895 -46.496 -72.118 1.00 31.21 C ATOM 491 O ALA A 35 33.153 -47.390 -71.312 1.00 21.44 O ATOM 492 CB ALA A 35 34.043 -46.907 -74.302 1.00 14.31 C ATOM 0 H ALA A 35 32.313 -45.305 -75.002 1.00 74.32 H new ATOM 0 HA ALA A 35 32.193 -47.775 -73.672 1.00 32.34 H new ATOM 0 HB1 ALA A 35 34.659 -47.660 -73.811 1.00 14.31 H new ATOM 0 HB2 ALA A 35 33.889 -47.188 -75.344 1.00 14.31 H new ATOM 0 HB3 ALA A 35 34.546 -45.941 -74.257 1.00 14.31 H new ATOM 498 N ILE A 36 32.772 -45.220 -71.769 1.00 44.00 N ATOM 499 CA ILE A 36 32.937 -44.787 -70.387 1.00 31.21 C ATOM 500 C ILE A 36 32.083 -45.626 -69.443 1.00 31.43 C ATOM 501 O ILE A 36 32.454 -45.858 -68.292 1.00 21.01 O ATOM 502 CB ILE A 36 32.566 -43.302 -70.214 1.00 32.50 C ATOM 503 CG1 ILE A 36 33.310 -42.704 -69.018 1.00 71.24 C ATOM 504 CG2 ILE A 36 31.062 -43.149 -70.040 1.00 22.23 C ATOM 505 CD1 ILE A 36 33.896 -41.337 -69.294 1.00 64.31 C ATOM 0 H ILE A 36 32.559 -44.468 -72.424 1.00 44.00 H new ATOM 0 HA ILE A 36 33.990 -44.921 -70.138 1.00 31.21 H new ATOM 0 HB ILE A 36 32.865 -42.761 -71.111 1.00 32.50 H new ATOM 0 HG12 ILE A 36 32.625 -42.633 -68.173 1.00 71.24 H new ATOM 0 HG13 ILE A 36 34.111 -43.381 -68.723 1.00 71.24 H new ATOM 0 HG21 ILE A 36 30.815 -42.094 -69.919 1.00 22.23 H new ATOM 0 HG22 ILE A 36 30.552 -43.542 -70.919 1.00 22.23 H new ATOM 0 HG23 ILE A 36 30.740 -43.701 -69.157 1.00 22.23 H new ATOM 0 HD11 ILE A 36 34.409 -40.974 -68.403 1.00 64.31 H new ATOM 0 HD12 ILE A 36 34.606 -41.405 -70.119 1.00 64.31 H new ATOM 0 HD13 ILE A 36 33.097 -40.645 -69.560 1.00 64.31 H new ATOM 517 N LYS A 37 30.937 -46.082 -69.937 1.00 52.34 N ATOM 518 CA LYS A 37 30.030 -46.899 -69.140 1.00 54.42 C ATOM 519 C LYS A 37 30.693 -48.211 -68.735 1.00 60.11 C ATOM 520 O LYS A 37 30.528 -48.679 -67.608 1.00 44.15 O ATOM 521 CB LYS A 37 28.746 -47.184 -69.923 1.00 60.11 C ATOM 522 CG LYS A 37 27.547 -46.388 -69.437 1.00 44.32 C ATOM 523 CD LYS A 37 26.735 -47.169 -68.418 1.00 51.22 C ATOM 524 CE LYS A 37 25.580 -46.342 -67.874 1.00 51.02 C ATOM 525 NZ LYS A 37 24.385 -46.408 -68.760 1.00 50.34 N ATOM 0 H LYS A 37 30.614 -45.899 -70.887 1.00 52.34 H new ATOM 0 HA LYS A 37 29.781 -46.344 -68.235 1.00 54.42 H new ATOM 0 HB2 LYS A 37 28.916 -46.962 -70.976 1.00 60.11 H new ATOM 0 HB3 LYS A 37 28.517 -48.248 -69.854 1.00 60.11 H new ATOM 0 HG2 LYS A 37 27.886 -45.452 -68.993 1.00 44.32 H new ATOM 0 HG3 LYS A 37 26.914 -46.127 -70.285 1.00 44.32 H new ATOM 0 HD2 LYS A 37 26.348 -48.078 -68.879 1.00 51.22 H new ATOM 0 HD3 LYS A 37 27.381 -47.479 -67.596 1.00 51.22 H new ATOM 0 HE2 LYS A 37 25.315 -46.699 -66.879 1.00 51.02 H new ATOM 0 HE3 LYS A 37 25.895 -45.304 -67.766 1.00 51.02 H new ATOM 0 HZ1 LYS A 37 23.620 -45.832 -68.355 1.00 50.34 H new ATOM 0 HZ2 LYS A 37 24.631 -46.043 -69.702 1.00 50.34 H new ATOM 0 HZ3 LYS A 37 24.068 -47.395 -68.843 1.00 50.34 H new ATOM 539 N SER A 38 31.444 -48.800 -69.660 1.00 42.54 N ATOM 540 CA SER A 38 32.131 -50.059 -69.400 1.00 32.41 C ATOM 541 C SER A 38 33.191 -49.886 -68.316 1.00 74.51 C ATOM 542 O SER A 38 33.296 -50.700 -67.398 1.00 34.00 O ATOM 543 CB SER A 38 32.778 -50.587 -70.682 1.00 54.31 C ATOM 544 OG SER A 38 31.796 -51.034 -71.602 1.00 4.05 O ATOM 0 H SER A 38 31.592 -48.425 -70.597 1.00 42.54 H new ATOM 0 HA SER A 38 31.393 -50.781 -69.051 1.00 32.41 H new ATOM 0 HB2 SER A 38 33.379 -49.802 -71.140 1.00 54.31 H new ATOM 0 HB3 SER A 38 33.455 -51.407 -70.441 1.00 54.31 H new ATOM 0 HG SER A 38 31.745 -52.012 -71.577 1.00 4.05 H new ATOM 550 N LYS A 39 33.975 -48.820 -68.430 1.00 23.34 N ATOM 551 CA LYS A 39 35.027 -48.537 -67.460 1.00 62.25 C ATOM 552 C LYS A 39 34.436 -48.255 -66.083 1.00 3.01 C ATOM 553 O LYS A 39 35.045 -48.567 -65.059 1.00 41.14 O ATOM 554 CB LYS A 39 35.866 -47.343 -67.922 1.00 21.14 C ATOM 555 CG LYS A 39 35.521 -46.046 -67.210 1.00 23.42 C ATOM 556 CD LYS A 39 36.187 -44.852 -67.873 1.00 21.32 C ATOM 557 CE LYS A 39 36.074 -43.603 -67.013 1.00 2.31 C ATOM 558 NZ LYS A 39 37.335 -43.324 -66.272 1.00 4.51 N ATOM 0 H LYS A 39 33.902 -48.137 -69.184 1.00 23.34 H new ATOM 0 HA LYS A 39 35.667 -49.417 -67.387 1.00 62.25 H new ATOM 0 HB2 LYS A 39 36.921 -47.567 -67.761 1.00 21.14 H new ATOM 0 HB3 LYS A 39 35.729 -47.207 -68.995 1.00 21.14 H new ATOM 0 HG2 LYS A 39 34.440 -45.907 -67.209 1.00 23.42 H new ATOM 0 HG3 LYS A 39 35.835 -46.107 -66.168 1.00 23.42 H new ATOM 0 HD2 LYS A 39 37.238 -45.075 -68.056 1.00 21.32 H new ATOM 0 HD3 LYS A 39 35.726 -44.670 -68.844 1.00 21.32 H new ATOM 0 HE2 LYS A 39 35.827 -42.749 -67.644 1.00 2.31 H new ATOM 0 HE3 LYS A 39 35.255 -43.723 -66.304 1.00 2.31 H new ATOM 0 HZ1 LYS A 39 37.112 -43.083 -65.285 1.00 4.51 H new ATOM 0 HZ2 LYS A 39 37.944 -44.167 -66.293 1.00 4.51 H new ATOM 0 HZ3 LYS A 39 37.831 -42.527 -66.719 1.00 4.51 H new ATOM 572 N VAL A 40 33.246 -47.664 -66.064 1.00 73.13 N ATOM 573 CA VAL A 40 32.571 -47.342 -64.812 1.00 62.43 C ATOM 574 C VAL A 40 32.278 -48.603 -64.006 1.00 42.14 C ATOM 575 O VAL A 40 32.457 -48.628 -62.789 1.00 73.12 O ATOM 576 CB VAL A 40 31.252 -46.588 -65.063 1.00 72.42 C ATOM 577 CG1 VAL A 40 30.437 -46.498 -63.782 1.00 54.32 C ATOM 578 CG2 VAL A 40 31.529 -45.203 -65.627 1.00 63.25 C ATOM 0 H VAL A 40 32.729 -47.398 -66.902 1.00 73.13 H new ATOM 0 HA VAL A 40 33.245 -46.700 -64.245 1.00 62.43 H new ATOM 0 HB VAL A 40 30.670 -47.144 -65.798 1.00 72.42 H new ATOM 0 HG11 VAL A 40 29.508 -45.962 -63.978 1.00 54.32 H new ATOM 0 HG12 VAL A 40 30.208 -47.502 -63.425 1.00 54.32 H new ATOM 0 HG13 VAL A 40 31.010 -45.965 -63.023 1.00 54.32 H new ATOM 0 HG21 VAL A 40 30.586 -44.685 -65.798 1.00 63.25 H new ATOM 0 HG22 VAL A 40 32.132 -44.635 -64.918 1.00 63.25 H new ATOM 0 HG23 VAL A 40 32.069 -45.295 -66.570 1.00 63.25 H new ATOM 588 N GLU A 41 31.828 -49.647 -64.694 1.00 72.45 N ATOM 589 CA GLU A 41 31.510 -50.912 -64.041 1.00 53.25 C ATOM 590 C GLU A 41 32.709 -51.436 -63.257 1.00 42.11 C ATOM 591 O GLU A 41 32.553 -52.158 -62.273 1.00 1.54 O ATOM 592 CB GLU A 41 31.070 -51.949 -65.077 1.00 23.55 C ATOM 593 CG GLU A 41 32.207 -52.819 -65.587 1.00 31.21 C ATOM 594 CD GLU A 41 31.890 -53.470 -66.919 1.00 64.13 C ATOM 595 OE1 GLU A 41 31.597 -52.733 -67.884 1.00 32.20 O ATOM 596 OE2 GLU A 41 31.936 -54.715 -66.998 1.00 30.54 O ATOM 0 H GLU A 41 31.675 -49.642 -65.703 1.00 72.45 H new ATOM 0 HA GLU A 41 30.691 -50.736 -63.343 1.00 53.25 H new ATOM 0 HB2 GLU A 41 30.304 -52.588 -64.637 1.00 23.55 H new ATOM 0 HB3 GLU A 41 30.610 -51.435 -65.921 1.00 23.55 H new ATOM 0 HG2 GLU A 41 33.107 -52.212 -65.688 1.00 31.21 H new ATOM 0 HG3 GLU A 41 32.426 -53.593 -64.851 1.00 31.21 H new ATOM 603 N ALA A 42 33.906 -51.068 -63.702 1.00 2.52 N ATOM 604 CA ALA A 42 35.132 -51.499 -63.042 1.00 2.43 C ATOM 605 C ALA A 42 35.522 -50.536 -61.925 1.00 32.43 C ATOM 606 O ALA A 42 36.275 -50.894 -61.020 1.00 1.34 O ATOM 607 CB ALA A 42 36.262 -51.621 -64.054 1.00 13.52 C ATOM 0 H ALA A 42 34.053 -50.472 -64.517 1.00 2.52 H new ATOM 0 HA ALA A 42 34.951 -52.477 -62.597 1.00 2.43 H new ATOM 0 HB1 ALA A 42 37.171 -51.944 -63.547 1.00 13.52 H new ATOM 0 HB2 ALA A 42 35.992 -52.353 -64.815 1.00 13.52 H new ATOM 0 HB3 ALA A 42 36.434 -50.654 -64.526 1.00 13.52 H new ATOM 613 N ALA A 43 35.004 -49.314 -61.995 1.00 62.43 N ATOM 614 CA ALA A 43 35.297 -48.301 -60.989 1.00 63.41 C ATOM 615 C ALA A 43 34.861 -48.763 -59.602 1.00 44.35 C ATOM 616 O ALA A 43 35.353 -48.265 -58.588 1.00 54.14 O ATOM 617 CB ALA A 43 34.618 -46.988 -61.348 1.00 74.45 C ATOM 0 H ALA A 43 34.379 -49.002 -62.738 1.00 62.43 H new ATOM 0 HA ALA A 43 36.376 -48.145 -60.969 1.00 63.41 H new ATOM 0 HB1 ALA A 43 34.846 -46.241 -60.588 1.00 74.45 H new ATOM 0 HB2 ALA A 43 34.982 -46.643 -62.316 1.00 74.45 H new ATOM 0 HB3 ALA A 43 33.539 -47.138 -61.398 1.00 74.45 H new ATOM 623 N LEU A 44 33.937 -49.716 -59.565 1.00 13.42 N ATOM 624 CA LEU A 44 33.434 -50.244 -58.301 1.00 73.05 C ATOM 625 C LEU A 44 34.262 -51.440 -57.843 1.00 4.41 C ATOM 626 O LEU A 44 33.856 -52.184 -56.951 1.00 75.21 O ATOM 627 CB LEU A 44 31.966 -50.651 -58.444 1.00 61.05 C ATOM 628 CG LEU A 44 30.936 -49.555 -58.170 1.00 32.12 C ATOM 629 CD1 LEU A 44 31.191 -48.347 -59.058 1.00 64.41 C ATOM 630 CD2 LEU A 44 29.525 -50.085 -58.380 1.00 12.23 C ATOM 0 H LEU A 44 33.521 -50.139 -60.395 1.00 13.42 H new ATOM 0 HA LEU A 44 33.516 -49.459 -57.549 1.00 73.05 H new ATOM 0 HB2 LEU A 44 31.810 -51.023 -59.456 1.00 61.05 H new ATOM 0 HB3 LEU A 44 31.772 -51.482 -57.765 1.00 61.05 H new ATOM 0 HG LEU A 44 31.035 -49.243 -57.130 1.00 32.12 H new ATOM 0 HD11 LEU A 44 30.448 -47.578 -58.848 1.00 64.41 H new ATOM 0 HD12 LEU A 44 32.187 -47.953 -58.859 1.00 64.41 H new ATOM 0 HD13 LEU A 44 31.121 -48.643 -60.105 1.00 64.41 H new ATOM 0 HD21 LEU A 44 28.805 -49.291 -58.181 1.00 12.23 H new ATOM 0 HD22 LEU A 44 29.414 -50.426 -59.409 1.00 12.23 H new ATOM 0 HD23 LEU A 44 29.344 -50.918 -57.701 1.00 12.23 H new ATOM 642 N SER A 45 35.428 -51.616 -58.457 1.00 52.03 N ATOM 643 CA SER A 45 36.314 -52.722 -58.113 1.00 53.02 C ATOM 644 C SER A 45 37.721 -52.217 -57.810 1.00 10.30 C ATOM 645 O SER A 45 38.082 -51.082 -58.123 1.00 13.10 O ATOM 646 CB SER A 45 36.360 -53.740 -59.254 1.00 70.03 C ATOM 647 OG SER A 45 35.681 -54.933 -58.901 1.00 43.13 O ATOM 0 H SER A 45 35.781 -51.007 -59.195 1.00 52.03 H new ATOM 0 HA SER A 45 35.920 -53.206 -57.219 1.00 53.02 H new ATOM 0 HB2 SER A 45 35.906 -53.310 -60.147 1.00 70.03 H new ATOM 0 HB3 SER A 45 37.397 -53.968 -59.501 1.00 70.03 H new ATOM 0 HG SER A 45 35.723 -55.567 -59.647 1.00 43.13 H new ATOM 653 N PRO A 46 38.536 -53.079 -57.185 1.00 64.11 N ATOM 654 CA PRO A 46 39.917 -52.744 -56.826 1.00 5.14 C ATOM 655 C PRO A 46 40.821 -52.623 -58.048 1.00 5.35 C ATOM 656 O PRO A 46 41.601 -53.527 -58.349 1.00 71.30 O ATOM 657 CB PRO A 46 40.353 -53.924 -55.953 1.00 2.30 C ATOM 658 CG PRO A 46 39.491 -55.057 -56.391 1.00 21.14 C ATOM 659 CD PRO A 46 38.173 -54.448 -56.782 1.00 2.01 C ATOM 0 HA PRO A 46 39.985 -51.778 -56.326 1.00 5.14 H new ATOM 0 HB2 PRO A 46 41.409 -54.152 -56.095 1.00 2.30 H new ATOM 0 HB3 PRO A 46 40.213 -53.706 -54.894 1.00 2.30 H new ATOM 0 HG2 PRO A 46 39.940 -55.587 -57.231 1.00 21.14 H new ATOM 0 HG3 PRO A 46 39.363 -55.783 -55.588 1.00 21.14 H new ATOM 0 HD2 PRO A 46 37.704 -54.996 -57.599 1.00 2.01 H new ATOM 0 HD3 PRO A 46 37.468 -54.449 -55.951 1.00 2.01 H new ATOM 667 N THR A 47 40.713 -51.498 -58.749 1.00 63.50 N ATOM 668 CA THR A 47 41.520 -51.259 -59.939 1.00 24.33 C ATOM 669 C THR A 47 41.269 -49.866 -60.503 1.00 13.42 C ATOM 670 O THR A 47 40.424 -49.124 -59.999 1.00 25.11 O ATOM 671 CB THR A 47 41.231 -52.304 -61.033 1.00 51.33 C ATOM 672 OG1 THR A 47 42.101 -52.096 -62.151 1.00 41.33 O ATOM 673 CG2 THR A 47 39.782 -52.222 -61.490 1.00 1.22 C ATOM 0 H THR A 47 40.074 -50.738 -58.513 1.00 63.50 H new ATOM 0 HA THR A 47 42.563 -51.342 -59.635 1.00 24.33 H new ATOM 0 HB THR A 47 41.408 -53.295 -60.614 1.00 51.33 H new ATOM 0 HG1 THR A 47 43.000 -51.875 -61.829 1.00 41.33 H new ATOM 0 HG21 THR A 47 39.601 -52.969 -62.263 1.00 1.22 H new ATOM 0 HG22 THR A 47 39.122 -52.409 -60.643 1.00 1.22 H new ATOM 0 HG23 THR A 47 39.583 -51.229 -61.892 1.00 1.22 H new ATOM 681 N HIS A 48 42.006 -49.515 -61.552 1.00 12.21 N ATOM 682 CA HIS A 48 41.861 -48.209 -62.186 1.00 30.13 C ATOM 683 C HIS A 48 41.680 -48.354 -63.694 1.00 24.23 C ATOM 684 O HIS A 48 42.496 -48.982 -64.369 1.00 70.03 O ATOM 685 CB HIS A 48 43.080 -47.336 -61.888 1.00 65.10 C ATOM 686 CG HIS A 48 43.064 -46.020 -62.602 1.00 55.14 C ATOM 687 ND1 HIS A 48 44.111 -45.572 -63.380 1.00 75.10 N ATOM 688 CD2 HIS A 48 42.118 -45.053 -62.655 1.00 75.21 C ATOM 689 CE1 HIS A 48 43.810 -44.386 -63.879 1.00 30.33 C ATOM 690 NE2 HIS A 48 42.606 -44.049 -63.454 1.00 54.13 N ATOM 0 H HIS A 48 42.709 -50.116 -61.981 1.00 12.21 H new ATOM 0 HA HIS A 48 40.972 -47.730 -61.776 1.00 30.13 H new ATOM 0 HB2 HIS A 48 43.134 -47.157 -60.814 1.00 65.10 H new ATOM 0 HB3 HIS A 48 43.983 -47.880 -62.166 1.00 65.10 H new ATOM 0 HD2 HIS A 48 41.158 -45.069 -62.161 1.00 75.21 H new ATOM 0 HE1 HIS A 48 44.441 -43.793 -64.524 1.00 30.33 H new ATOM 0 HE2 HIS A 48 42.118 -43.183 -63.682 1.00 54.13 H new ATOM 698 N PHE A 49 40.606 -47.770 -64.215 1.00 24.40 N ATOM 699 CA PHE A 49 40.318 -47.836 -65.643 1.00 33.31 C ATOM 700 C PHE A 49 40.397 -46.451 -66.278 1.00 65.33 C ATOM 701 O PHE A 49 39.657 -45.541 -65.906 1.00 3.34 O ATOM 702 CB PHE A 49 38.931 -48.438 -65.877 1.00 74.21 C ATOM 703 CG PHE A 49 38.929 -49.939 -65.924 1.00 33.41 C ATOM 704 CD1 PHE A 49 39.319 -50.681 -64.820 1.00 54.41 C ATOM 705 CD2 PHE A 49 38.537 -50.609 -67.072 1.00 25.41 C ATOM 706 CE1 PHE A 49 39.318 -52.062 -64.860 1.00 33.34 C ATOM 707 CE2 PHE A 49 38.534 -51.991 -67.117 1.00 41.31 C ATOM 708 CZ PHE A 49 38.926 -52.718 -66.010 1.00 72.12 C ATOM 0 H PHE A 49 39.921 -47.246 -63.670 1.00 24.40 H new ATOM 0 HA PHE A 49 41.068 -48.474 -66.111 1.00 33.31 H new ATOM 0 HB2 PHE A 49 38.261 -48.106 -65.083 1.00 74.21 H new ATOM 0 HB3 PHE A 49 38.530 -48.053 -66.814 1.00 74.21 H new ATOM 0 HD1 PHE A 49 39.627 -50.174 -63.918 1.00 54.41 H new ATOM 0 HD2 PHE A 49 38.231 -50.046 -67.941 1.00 25.41 H new ATOM 0 HE1 PHE A 49 39.624 -52.628 -63.992 1.00 33.34 H new ATOM 0 HE2 PHE A 49 38.225 -52.502 -68.017 1.00 41.31 H new ATOM 0 HZ PHE A 49 38.926 -53.797 -66.044 1.00 72.12 H new ATOM 718 N LYS A 50 41.302 -46.299 -67.240 1.00 75.41 N ATOM 719 CA LYS A 50 41.480 -45.027 -67.929 1.00 73.04 C ATOM 720 C LYS A 50 40.922 -45.094 -69.348 1.00 0.34 C ATOM 721 O LYS A 50 41.382 -45.887 -70.170 1.00 22.01 O ATOM 722 CB LYS A 50 42.962 -44.649 -67.970 1.00 40.32 C ATOM 723 CG LYS A 50 43.229 -43.306 -68.628 1.00 2.12 C ATOM 724 CD LYS A 50 44.190 -43.439 -69.797 1.00 63.01 C ATOM 725 CE LYS A 50 44.328 -42.129 -70.558 1.00 35.02 C ATOM 726 NZ LYS A 50 44.707 -41.003 -69.660 1.00 31.33 N ATOM 0 H LYS A 50 41.923 -47.042 -67.560 1.00 75.41 H new ATOM 0 HA LYS A 50 40.932 -44.263 -67.377 1.00 73.04 H new ATOM 0 HB2 LYS A 50 43.352 -44.629 -66.952 1.00 40.32 H new ATOM 0 HB3 LYS A 50 43.511 -45.423 -68.507 1.00 40.32 H new ATOM 0 HG2 LYS A 50 42.289 -42.877 -68.975 1.00 2.12 H new ATOM 0 HG3 LYS A 50 43.642 -42.615 -67.893 1.00 2.12 H new ATOM 0 HD2 LYS A 50 45.168 -43.753 -69.432 1.00 63.01 H new ATOM 0 HD3 LYS A 50 43.837 -44.218 -70.473 1.00 63.01 H new ATOM 0 HE2 LYS A 50 45.081 -42.240 -71.339 1.00 35.02 H new ATOM 0 HE3 LYS A 50 43.386 -41.896 -71.054 1.00 35.02 H new ATOM 0 HZ1 LYS A 50 44.956 -40.171 -70.232 1.00 31.33 H new ATOM 0 HZ2 LYS A 50 43.906 -40.769 -69.039 1.00 31.33 H new ATOM 0 HZ3 LYS A 50 45.524 -41.281 -69.080 1.00 31.33 H new ATOM 740 N LEU A 51 39.930 -44.256 -69.628 1.00 41.13 N ATOM 741 CA LEU A 51 39.310 -44.219 -70.948 1.00 45.35 C ATOM 742 C LEU A 51 39.337 -42.806 -71.523 1.00 14.24 C ATOM 743 O LEU A 51 38.795 -41.874 -70.928 1.00 1.53 O ATOM 744 CB LEU A 51 37.869 -44.723 -70.871 1.00 75.42 C ATOM 745 CG LEU A 51 37.121 -44.825 -72.201 1.00 52.01 C ATOM 746 CD1 LEU A 51 36.422 -46.171 -72.319 1.00 41.43 C ATOM 747 CD2 LEU A 51 36.119 -43.688 -72.338 1.00 12.23 C ATOM 0 H LEU A 51 39.538 -43.593 -68.959 1.00 41.13 H new ATOM 0 HA LEU A 51 39.881 -44.871 -71.609 1.00 45.35 H new ATOM 0 HB2 LEU A 51 37.874 -45.708 -70.404 1.00 75.42 H new ATOM 0 HB3 LEU A 51 37.308 -44.060 -70.212 1.00 75.42 H new ATOM 0 HG LEU A 51 37.846 -44.743 -73.011 1.00 52.01 H new ATOM 0 HD11 LEU A 51 35.895 -46.225 -73.272 1.00 41.43 H new ATOM 0 HD12 LEU A 51 37.161 -46.971 -72.267 1.00 41.43 H new ATOM 0 HD13 LEU A 51 35.708 -46.283 -71.503 1.00 41.43 H new ATOM 0 HD21 LEU A 51 35.596 -43.777 -73.290 1.00 12.23 H new ATOM 0 HD22 LEU A 51 35.398 -43.738 -71.522 1.00 12.23 H new ATOM 0 HD23 LEU A 51 36.644 -42.734 -72.300 1.00 12.23 H new ATOM 759 N ILE A 52 39.967 -42.656 -72.682 1.00 45.43 N ATOM 760 CA ILE A 52 40.061 -41.357 -73.338 1.00 72.20 C ATOM 761 C ILE A 52 39.531 -41.423 -74.767 1.00 24.54 C ATOM 762 O ILE A 52 40.105 -42.098 -75.621 1.00 50.50 O ATOM 763 CB ILE A 52 41.512 -40.842 -73.364 1.00 21.43 C ATOM 764 CG1 ILE A 52 41.625 -39.616 -74.271 1.00 43.05 C ATOM 765 CG2 ILE A 52 42.456 -41.941 -73.829 1.00 33.42 C ATOM 766 CD1 ILE A 52 42.299 -39.904 -75.595 1.00 4.23 C ATOM 0 H ILE A 52 40.420 -43.417 -73.187 1.00 45.43 H new ATOM 0 HA ILE A 52 39.450 -40.666 -72.757 1.00 72.20 H new ATOM 0 HB ILE A 52 41.796 -40.550 -72.353 1.00 21.43 H new ATOM 0 HG12 ILE A 52 40.627 -39.220 -74.459 1.00 43.05 H new ATOM 0 HG13 ILE A 52 42.183 -38.839 -73.750 1.00 43.05 H new ATOM 0 HG21 ILE A 52 43.478 -41.562 -73.842 1.00 33.42 H new ATOM 0 HG22 ILE A 52 42.392 -42.788 -73.146 1.00 33.42 H new ATOM 0 HG23 ILE A 52 42.175 -42.262 -74.832 1.00 33.42 H new ATOM 0 HD11 ILE A 52 42.345 -38.990 -76.187 1.00 4.23 H new ATOM 0 HD12 ILE A 52 43.310 -40.271 -75.417 1.00 4.23 H new ATOM 0 HD13 ILE A 52 41.729 -40.659 -76.137 1.00 4.23 H new ATOM 778 N ASN A 53 38.434 -40.717 -75.019 1.00 20.44 N ATOM 779 CA ASN A 53 37.827 -40.695 -76.345 1.00 4.24 C ATOM 780 C ASN A 53 37.892 -39.295 -76.949 1.00 21.33 C ATOM 781 O ASN A 53 37.421 -38.328 -76.351 1.00 1.42 O ATOM 782 CB ASN A 53 36.373 -41.164 -76.271 1.00 11.11 C ATOM 783 CG ASN A 53 35.544 -40.663 -77.438 1.00 61.31 C ATOM 784 OD1 ASN A 53 34.670 -39.812 -77.273 1.00 42.04 O ATOM 785 ND2 ASN A 53 35.816 -41.192 -78.626 1.00 15.41 N ATOM 0 H ASN A 53 37.947 -40.153 -74.323 1.00 20.44 H new ATOM 0 HA ASN A 53 38.388 -41.375 -76.986 1.00 4.24 H new ATOM 0 HB2 ASN A 53 36.346 -42.253 -76.251 1.00 11.11 H new ATOM 0 HB3 ASN A 53 35.929 -40.817 -75.338 1.00 11.11 H new ATOM 0 HD21 ASN A 53 35.291 -40.895 -79.449 1.00 15.41 H new ATOM 0 HD22 ASN A 53 36.550 -41.895 -78.715 1.00 15.41 H new ATOM 792 N ASP A 54 38.478 -39.196 -78.137 1.00 33.41 N ATOM 793 CA ASP A 54 38.603 -37.916 -78.824 1.00 12.15 C ATOM 794 C ASP A 54 37.407 -37.671 -79.738 1.00 40.24 C ATOM 795 O ASP A 54 36.625 -36.746 -79.520 1.00 0.41 O ATOM 796 CB ASP A 54 39.899 -37.872 -79.635 1.00 32.53 C ATOM 797 CG ASP A 54 40.719 -36.629 -79.350 1.00 34.52 C ATOM 798 OD1 ASP A 54 41.411 -36.601 -78.311 1.00 65.45 O ATOM 799 OD2 ASP A 54 40.667 -35.684 -80.165 1.00 32.42 O ATOM 0 H ASP A 54 38.874 -39.987 -78.644 1.00 33.41 H new ATOM 0 HA ASP A 54 38.629 -37.128 -78.071 1.00 12.15 H new ATOM 0 HB2 ASP A 54 40.495 -38.756 -79.410 1.00 32.53 H new ATOM 0 HB3 ASP A 54 39.660 -37.910 -80.698 1.00 32.53 H new ATOM 804 N SER A 55 37.272 -38.505 -80.764 1.00 62.32 N ATOM 805 CA SER A 55 36.175 -38.376 -81.716 1.00 34.35 C ATOM 806 C SER A 55 36.315 -37.098 -82.537 1.00 32.14 C ATOM 807 O SER A 55 36.558 -36.020 -81.992 1.00 70.44 O ATOM 808 CB SER A 55 34.832 -38.380 -80.981 1.00 44.34 C ATOM 809 OG SER A 55 33.862 -39.124 -81.697 1.00 32.44 O ATOM 0 H SER A 55 37.909 -39.278 -80.957 1.00 62.32 H new ATOM 0 HA SER A 55 36.213 -39.228 -82.395 1.00 34.35 H new ATOM 0 HB2 SER A 55 34.960 -38.806 -79.986 1.00 44.34 H new ATOM 0 HB3 SER A 55 34.484 -37.356 -80.847 1.00 44.34 H new ATOM 0 HG SER A 55 33.781 -40.019 -81.305 1.00 32.44 H new ATOM 815 N HIS A 56 36.160 -37.226 -83.851 1.00 33.25 N ATOM 816 CA HIS A 56 36.268 -36.082 -84.748 1.00 42.24 C ATOM 817 C HIS A 56 35.210 -36.150 -85.846 1.00 25.12 C ATOM 818 O HIS A 56 34.494 -37.143 -85.971 1.00 73.23 O ATOM 819 CB HIS A 56 37.663 -36.026 -85.371 1.00 43.03 C ATOM 820 CG HIS A 56 38.119 -34.637 -85.696 1.00 42.31 C ATOM 821 ND1 HIS A 56 37.840 -33.547 -84.898 1.00 71.34 N ATOM 822 CD2 HIS A 56 38.840 -34.163 -86.739 1.00 5.33 C ATOM 823 CE1 HIS A 56 38.368 -32.463 -85.437 1.00 42.11 C ATOM 824 NE2 HIS A 56 38.981 -32.809 -86.555 1.00 24.25 N ATOM 0 H HIS A 56 35.959 -38.110 -84.318 1.00 33.25 H new ATOM 0 HA HIS A 56 36.102 -35.177 -84.164 1.00 42.24 H new ATOM 0 HB2 HIS A 56 38.377 -36.483 -84.685 1.00 43.03 H new ATOM 0 HB3 HIS A 56 37.669 -36.624 -86.282 1.00 43.03 H new ATOM 0 HD2 HIS A 56 39.232 -34.742 -87.563 1.00 5.33 H new ATOM 0 HE1 HIS A 56 38.309 -31.463 -85.032 1.00 42.11 H new ATOM 0 HE2 HIS A 56 39.478 -32.174 -87.180 1.00 24.25 H new ATOM 1069 N THR A 75 44.116 -43.959 -84.412 1.00 2.43 N ATOM 1070 CA THR A 75 43.324 -44.262 -83.227 1.00 35.00 C ATOM 1071 C THR A 75 43.171 -43.033 -82.338 1.00 21.21 C ATOM 1072 O THR A 75 44.139 -42.316 -82.082 1.00 12.13 O ATOM 1073 CB THR A 75 43.955 -45.401 -82.405 1.00 24.21 C ATOM 1074 OG1 THR A 75 44.869 -44.863 -81.443 1.00 10.42 O ATOM 1075 CG2 THR A 75 44.685 -46.382 -83.311 1.00 34.04 C ATOM 0 HA THR A 75 42.341 -44.578 -83.577 1.00 35.00 H new ATOM 0 HB THR A 75 43.156 -45.932 -81.889 1.00 24.21 H new ATOM 0 HG1 THR A 75 45.245 -44.024 -81.782 1.00 10.42 H new ATOM 0 HG21 THR A 75 45.123 -47.178 -82.708 1.00 34.04 H new ATOM 0 HG22 THR A 75 43.981 -46.812 -84.024 1.00 34.04 H new ATOM 0 HG23 THR A 75 45.475 -45.860 -83.851 1.00 34.04 H new ATOM 1083 N HIS A 76 41.950 -42.795 -81.869 1.00 22.40 N ATOM 1084 CA HIS A 76 41.672 -41.653 -81.006 1.00 53.34 C ATOM 1085 C HIS A 76 41.158 -42.112 -79.645 1.00 51.12 C ATOM 1086 O HIS A 76 41.157 -41.347 -78.680 1.00 63.32 O ATOM 1087 CB HIS A 76 40.648 -40.727 -81.665 1.00 64.11 C ATOM 1088 CG HIS A 76 39.245 -41.247 -81.606 1.00 61.43 C ATOM 1089 ND1 HIS A 76 38.462 -41.427 -82.727 1.00 34.13 N ATOM 1090 CD2 HIS A 76 38.486 -41.629 -80.553 1.00 12.02 C ATOM 1091 CE1 HIS A 76 37.280 -41.895 -82.365 1.00 4.03 C ATOM 1092 NE2 HIS A 76 37.269 -42.027 -81.051 1.00 4.04 N ATOM 0 H HIS A 76 41.138 -43.378 -82.072 1.00 22.40 H new ATOM 0 HA HIS A 76 42.603 -41.106 -80.857 1.00 53.34 H new ATOM 0 HB2 HIS A 76 40.686 -39.752 -81.179 1.00 64.11 H new ATOM 0 HB3 HIS A 76 40.927 -40.574 -82.708 1.00 64.11 H new ATOM 0 HD2 HIS A 76 38.782 -41.622 -79.514 1.00 12.02 H new ATOM 0 HE1 HIS A 76 36.462 -42.130 -83.031 1.00 4.03 H new ATOM 0 HE2 HIS A 76 36.484 -42.369 -80.496 1.00 4.04 H new ATOM 1100 N PHE A 77 40.720 -43.365 -79.575 1.00 44.22 N ATOM 1101 CA PHE A 77 40.202 -43.925 -78.333 1.00 22.43 C ATOM 1102 C PHE A 77 41.143 -44.994 -77.784 1.00 5.53 C ATOM 1103 O PHE A 77 41.675 -45.813 -78.534 1.00 13.34 O ATOM 1104 CB PHE A 77 38.812 -44.522 -78.559 1.00 34.33 C ATOM 1105 CG PHE A 77 38.470 -45.626 -77.599 1.00 13.22 C ATOM 1106 CD1 PHE A 77 38.420 -45.385 -76.235 1.00 41.02 C ATOM 1107 CD2 PHE A 77 38.197 -46.904 -78.060 1.00 4.40 C ATOM 1108 CE1 PHE A 77 38.107 -46.399 -75.350 1.00 14.22 C ATOM 1109 CE2 PHE A 77 37.883 -47.921 -77.179 1.00 72.43 C ATOM 1110 CZ PHE A 77 37.836 -47.668 -75.822 1.00 64.34 C ATOM 0 H PHE A 77 40.714 -44.011 -80.364 1.00 44.22 H new ATOM 0 HA PHE A 77 40.130 -43.119 -77.603 1.00 22.43 H new ATOM 0 HB2 PHE A 77 38.067 -43.731 -78.471 1.00 34.33 H new ATOM 0 HB3 PHE A 77 38.751 -44.905 -79.578 1.00 34.33 H new ATOM 0 HD1 PHE A 77 38.628 -44.394 -75.860 1.00 41.02 H new ATOM 0 HD2 PHE A 77 38.230 -47.107 -79.120 1.00 4.40 H new ATOM 0 HE1 PHE A 77 38.074 -46.199 -74.289 1.00 14.22 H new ATOM 0 HE2 PHE A 77 37.674 -48.913 -77.551 1.00 72.43 H new ATOM 0 HZ PHE A 77 37.588 -48.461 -75.132 1.00 64.34 H new ATOM 1120 N ARG A 78 41.345 -44.977 -76.470 1.00 61.32 N ATOM 1121 CA ARG A 78 42.223 -45.943 -75.820 1.00 43.41 C ATOM 1122 C ARG A 78 41.726 -46.270 -74.415 1.00 3.40 C ATOM 1123 O ARG A 78 41.404 -45.373 -73.634 1.00 52.25 O ATOM 1124 CB ARG A 78 43.652 -45.400 -75.754 1.00 22.31 C ATOM 1125 CG ARG A 78 44.095 -45.019 -74.351 1.00 34.24 C ATOM 1126 CD ARG A 78 45.462 -44.353 -74.359 1.00 74.10 C ATOM 1127 NE ARG A 78 46.368 -44.952 -73.384 1.00 24.15 N ATOM 1128 CZ ARG A 78 47.457 -44.346 -72.923 1.00 13.35 C ATOM 1129 NH1 ARG A 78 47.771 -43.129 -73.346 1.00 25.40 N ATOM 1130 NH2 ARG A 78 48.232 -44.956 -72.036 1.00 4.04 N ATOM 0 H ARG A 78 40.913 -44.305 -75.835 1.00 61.32 H new ATOM 0 HA ARG A 78 42.216 -46.859 -76.411 1.00 43.41 H new ATOM 0 HB2 ARG A 78 44.336 -46.151 -76.150 1.00 22.31 H new ATOM 0 HB3 ARG A 78 43.730 -44.526 -76.400 1.00 22.31 H new ATOM 0 HG2 ARG A 78 43.363 -44.344 -73.908 1.00 34.24 H new ATOM 0 HG3 ARG A 78 44.127 -45.910 -73.724 1.00 34.24 H new ATOM 0 HD2 ARG A 78 45.898 -44.432 -75.355 1.00 74.10 H new ATOM 0 HD3 ARG A 78 45.349 -43.290 -74.144 1.00 74.10 H new ATOM 0 HE ARG A 78 46.153 -45.887 -73.037 1.00 24.15 H new ATOM 0 HH11 ARG A 78 47.176 -42.656 -74.026 1.00 25.40 H new ATOM 0 HH12 ARG A 78 48.607 -42.666 -72.991 1.00 25.40 H new ATOM 0 HH21 ARG A 78 47.992 -45.891 -71.707 1.00 4.04 H new ATOM 0 HH22 ARG A 78 49.068 -44.490 -71.683 1.00 4.04 H new ATOM 1144 N LEU A 79 41.666 -47.559 -74.099 1.00 44.44 N ATOM 1145 CA LEU A 79 41.208 -48.005 -72.788 1.00 42.23 C ATOM 1146 C LEU A 79 42.286 -48.823 -72.084 1.00 71.13 C ATOM 1147 O LEU A 79 42.657 -49.903 -72.543 1.00 34.12 O ATOM 1148 CB LEU A 79 39.931 -48.835 -72.928 1.00 21.11 C ATOM 1149 CG LEU A 79 39.212 -49.184 -71.625 1.00 34.24 C ATOM 1150 CD1 LEU A 79 39.930 -50.315 -70.905 1.00 12.02 C ATOM 1151 CD2 LEU A 79 39.108 -47.959 -70.728 1.00 23.12 C ATOM 0 H LEU A 79 41.929 -48.314 -74.733 1.00 44.44 H new ATOM 0 HA LEU A 79 40.996 -47.123 -72.184 1.00 42.23 H new ATOM 0 HB2 LEU A 79 39.237 -48.291 -73.569 1.00 21.11 H new ATOM 0 HB3 LEU A 79 40.179 -49.763 -73.443 1.00 21.11 H new ATOM 0 HG LEU A 79 38.203 -49.518 -71.868 1.00 34.24 H new ATOM 0 HD11 LEU A 79 39.404 -50.549 -69.980 1.00 12.02 H new ATOM 0 HD12 LEU A 79 39.951 -51.198 -71.544 1.00 12.02 H new ATOM 0 HD13 LEU A 79 40.951 -50.010 -70.674 1.00 12.02 H new ATOM 0 HD21 LEU A 79 38.593 -48.226 -69.805 1.00 23.12 H new ATOM 0 HD22 LEU A 79 40.108 -47.594 -70.493 1.00 23.12 H new ATOM 0 HD23 LEU A 79 38.548 -47.178 -71.242 1.00 23.12 H new ATOM 1163 N GLU A 80 42.783 -48.301 -70.967 1.00 34.30 N ATOM 1164 CA GLU A 80 43.817 -48.985 -70.199 1.00 72.14 C ATOM 1165 C GLU A 80 43.371 -49.199 -68.756 1.00 32.22 C ATOM 1166 O GLU A 80 42.940 -48.263 -68.082 1.00 24.12 O ATOM 1167 CB GLU A 80 45.119 -48.183 -70.229 1.00 4.23 C ATOM 1168 CG GLU A 80 46.101 -48.655 -71.288 1.00 2.21 C ATOM 1169 CD GLU A 80 47.542 -48.349 -70.926 1.00 14.11 C ATOM 1170 OE1 GLU A 80 47.761 -47.552 -69.990 1.00 11.50 O ATOM 1171 OE2 GLU A 80 48.449 -48.906 -71.578 1.00 50.01 O ATOM 0 H GLU A 80 42.487 -47.408 -70.574 1.00 34.30 H new ATOM 0 HA GLU A 80 43.989 -49.960 -70.656 1.00 72.14 H new ATOM 0 HB2 GLU A 80 44.885 -47.133 -70.405 1.00 4.23 H new ATOM 0 HB3 GLU A 80 45.596 -48.244 -69.251 1.00 4.23 H new ATOM 0 HG2 GLU A 80 45.987 -49.730 -71.431 1.00 2.21 H new ATOM 0 HG3 GLU A 80 45.860 -48.180 -72.239 1.00 2.21 H new ATOM 1178 N VAL A 81 43.477 -50.439 -68.288 1.00 15.25 N ATOM 1179 CA VAL A 81 43.085 -50.777 -66.924 1.00 61.14 C ATOM 1180 C VAL A 81 44.268 -51.321 -66.132 1.00 4.12 C ATOM 1181 O VAL A 81 44.958 -52.239 -66.576 1.00 25.45 O ATOM 1182 CB VAL A 81 41.949 -51.817 -66.908 1.00 61.04 C ATOM 1183 CG1 VAL A 81 41.755 -52.417 -68.292 1.00 70.44 C ATOM 1184 CG2 VAL A 81 42.236 -52.903 -65.883 1.00 30.05 C ATOM 0 H VAL A 81 43.831 -51.226 -68.833 1.00 15.25 H new ATOM 0 HA VAL A 81 42.732 -49.857 -66.459 1.00 61.14 H new ATOM 0 HB VAL A 81 41.024 -51.315 -66.623 1.00 61.04 H new ATOM 0 HG11 VAL A 81 40.948 -53.150 -68.261 1.00 70.44 H new ATOM 0 HG12 VAL A 81 41.501 -51.627 -68.999 1.00 70.44 H new ATOM 0 HG13 VAL A 81 42.676 -52.905 -68.609 1.00 70.44 H new ATOM 0 HG21 VAL A 81 41.423 -53.629 -65.885 1.00 30.05 H new ATOM 0 HG22 VAL A 81 43.171 -53.404 -66.135 1.00 30.05 H new ATOM 0 HG23 VAL A 81 42.320 -52.456 -64.893 1.00 30.05 H new ATOM 1194 N THR A 82 44.499 -50.748 -64.954 1.00 74.13 N ATOM 1195 CA THR A 82 45.599 -51.174 -64.099 1.00 31.40 C ATOM 1196 C THR A 82 45.086 -51.689 -62.759 1.00 20.11 C ATOM 1197 O THR A 82 44.429 -50.962 -62.014 1.00 5.31 O ATOM 1198 CB THR A 82 46.593 -50.025 -63.848 1.00 63.11 C ATOM 1199 OG1 THR A 82 47.149 -49.578 -65.090 1.00 15.10 O ATOM 1200 CG2 THR A 82 47.712 -50.470 -62.918 1.00 35.41 C ATOM 0 H THR A 82 43.938 -49.987 -64.571 1.00 74.13 H new ATOM 0 HA THR A 82 46.112 -51.980 -64.623 1.00 31.40 H new ATOM 0 HB THR A 82 46.053 -49.205 -63.375 1.00 63.11 H new ATOM 0 HG1 THR A 82 47.779 -48.846 -64.922 1.00 15.10 H new ATOM 0 HG21 THR A 82 48.401 -49.641 -62.756 1.00 35.41 H new ATOM 0 HG22 THR A 82 47.289 -50.782 -61.963 1.00 35.41 H new ATOM 0 HG23 THR A 82 48.248 -51.305 -63.368 1.00 35.41 H new ATOM 1208 N SER A 83 45.390 -52.947 -62.458 1.00 24.43 N ATOM 1209 CA SER A 83 44.957 -53.560 -61.208 1.00 21.54 C ATOM 1210 C SER A 83 46.148 -54.121 -60.436 1.00 0.31 C ATOM 1211 O SER A 83 46.683 -55.175 -60.778 1.00 71.41 O ATOM 1212 CB SER A 83 43.945 -54.674 -61.485 1.00 2.11 C ATOM 1213 OG SER A 83 43.428 -54.577 -62.801 1.00 24.32 O ATOM 0 H SER A 83 45.935 -53.562 -63.063 1.00 24.43 H new ATOM 0 HA SER A 83 44.482 -52.790 -60.600 1.00 21.54 H new ATOM 0 HB2 SER A 83 44.422 -55.645 -61.349 1.00 2.11 H new ATOM 0 HB3 SER A 83 43.129 -54.616 -60.765 1.00 2.11 H new ATOM 0 HG SER A 83 42.889 -53.763 -62.881 1.00 24.32 H new ATOM 1219 N ASP A 84 46.558 -53.407 -59.393 1.00 54.11 N ATOM 1220 CA ASP A 84 47.685 -53.832 -58.571 1.00 14.11 C ATOM 1221 C ASP A 84 48.991 -53.750 -59.355 1.00 13.42 C ATOM 1222 O ASP A 84 50.040 -54.180 -58.878 1.00 4.11 O ATOM 1223 CB ASP A 84 47.467 -55.260 -58.068 1.00 15.44 C ATOM 1224 CG ASP A 84 47.268 -55.320 -56.566 1.00 21.12 C ATOM 1225 OD1 ASP A 84 46.496 -54.494 -56.035 1.00 72.12 O ATOM 1226 OD2 ASP A 84 47.884 -56.194 -55.921 1.00 44.11 O ATOM 0 H ASP A 84 46.127 -52.531 -59.097 1.00 54.11 H new ATOM 0 HA ASP A 84 47.753 -53.160 -57.716 1.00 14.11 H new ATOM 0 HB2 ASP A 84 46.596 -55.688 -58.564 1.00 15.44 H new ATOM 0 HB3 ASP A 84 48.325 -55.874 -58.343 1.00 15.44 H new ATOM 1231 N ALA A 85 48.917 -53.195 -60.560 1.00 44.03 N ATOM 1232 CA ALA A 85 50.094 -53.056 -61.410 1.00 13.52 C ATOM 1233 C ALA A 85 50.898 -54.350 -61.450 1.00 63.31 C ATOM 1234 O ALA A 85 51.925 -54.476 -60.782 1.00 51.02 O ATOM 1235 CB ALA A 85 50.963 -51.906 -60.922 1.00 65.24 C ATOM 0 H ALA A 85 48.055 -52.834 -60.970 1.00 44.03 H new ATOM 0 HA ALA A 85 49.757 -52.838 -62.423 1.00 13.52 H new ATOM 0 HB1 ALA A 85 51.838 -51.813 -61.565 1.00 65.24 H new ATOM 0 HB2 ALA A 85 50.390 -50.979 -60.952 1.00 65.24 H new ATOM 0 HB3 ALA A 85 51.284 -52.101 -59.899 1.00 65.24 H new ATOM 1241 N PHE A 86 50.425 -55.311 -62.237 1.00 25.10 N ATOM 1242 CA PHE A 86 51.100 -56.598 -62.363 1.00 5.41 C ATOM 1243 C PHE A 86 50.297 -57.549 -63.245 1.00 23.22 C ATOM 1244 O PHE A 86 49.519 -58.365 -62.750 1.00 65.52 O ATOM 1245 CB PHE A 86 51.315 -57.222 -60.983 1.00 21.14 C ATOM 1246 CG PHE A 86 52.754 -57.246 -60.552 1.00 50.45 C ATOM 1247 CD1 PHE A 86 53.725 -57.804 -61.368 1.00 24.14 C ATOM 1248 CD2 PHE A 86 53.135 -56.709 -59.333 1.00 43.24 C ATOM 1249 CE1 PHE A 86 55.050 -57.828 -60.974 1.00 11.33 C ATOM 1250 CE2 PHE A 86 54.458 -56.729 -58.934 1.00 65.13 C ATOM 1251 CZ PHE A 86 55.417 -57.288 -59.756 1.00 61.42 C ATOM 0 H PHE A 86 49.577 -55.223 -62.797 1.00 25.10 H new ATOM 0 HA PHE A 86 52.069 -56.428 -62.832 1.00 5.41 H new ATOM 0 HB2 PHE A 86 50.733 -56.666 -60.248 1.00 21.14 H new ATOM 0 HB3 PHE A 86 50.929 -58.241 -60.990 1.00 21.14 H new ATOM 0 HD1 PHE A 86 53.444 -58.225 -62.322 1.00 24.14 H new ATOM 0 HD2 PHE A 86 52.389 -56.270 -58.687 1.00 43.24 H new ATOM 0 HE1 PHE A 86 55.797 -58.268 -61.617 1.00 11.33 H new ATOM 0 HE2 PHE A 86 54.742 -56.308 -57.981 1.00 65.13 H new ATOM 0 HZ PHE A 86 56.452 -57.303 -59.447 1.00 61.42 H new ATOM 1261 N LYS A 87 50.491 -57.438 -64.555 1.00 11.25 N ATOM 1262 CA LYS A 87 49.787 -58.287 -65.508 1.00 34.24 C ATOM 1263 C LYS A 87 50.281 -59.728 -65.421 1.00 50.35 C ATOM 1264 O LYS A 87 51.480 -59.977 -65.307 1.00 3.32 O ATOM 1265 CB LYS A 87 49.974 -57.757 -66.931 1.00 2.33 C ATOM 1266 CG LYS A 87 49.737 -58.803 -68.006 1.00 51.21 C ATOM 1267 CD LYS A 87 51.029 -59.496 -68.404 1.00 71.41 C ATOM 1268 CE LYS A 87 51.499 -59.052 -69.781 1.00 32.22 C ATOM 1269 NZ LYS A 87 51.213 -60.078 -70.822 1.00 53.41 N ATOM 0 H LYS A 87 51.131 -56.767 -64.981 1.00 11.25 H new ATOM 0 HA LYS A 87 48.726 -58.269 -65.258 1.00 34.24 H new ATOM 0 HB2 LYS A 87 49.292 -56.922 -67.091 1.00 2.33 H new ATOM 0 HB3 LYS A 87 50.986 -57.365 -67.034 1.00 2.33 H new ATOM 0 HG2 LYS A 87 49.023 -59.543 -67.644 1.00 51.21 H new ATOM 0 HG3 LYS A 87 49.291 -58.331 -68.882 1.00 51.21 H new ATOM 0 HD2 LYS A 87 51.802 -59.278 -67.667 1.00 71.41 H new ATOM 0 HD3 LYS A 87 50.880 -60.576 -68.400 1.00 71.41 H new ATOM 0 HE2 LYS A 87 51.008 -58.117 -70.048 1.00 32.22 H new ATOM 0 HE3 LYS A 87 52.570 -58.852 -69.752 1.00 32.22 H new ATOM 0 HZ1 LYS A 87 51.548 -59.738 -71.746 1.00 53.41 H new ATOM 0 HZ2 LYS A 87 51.702 -60.963 -70.581 1.00 53.41 H new ATOM 0 HZ3 LYS A 87 50.188 -60.250 -70.867 1.00 53.41 H new ATOM 1283 N GLY A 88 49.348 -60.673 -65.479 1.00 21.41 N ATOM 1284 CA GLY A 88 49.709 -62.077 -65.407 1.00 64.13 C ATOM 1285 C GLY A 88 48.767 -62.960 -66.202 1.00 0.45 C ATOM 1286 O GLY A 88 49.173 -63.994 -66.733 1.00 32.34 O ATOM 0 H GLY A 88 48.349 -60.492 -65.575 1.00 21.41 H new ATOM 0 HA2 GLY A 88 50.725 -62.207 -65.779 1.00 64.13 H new ATOM 0 HA3 GLY A 88 49.708 -62.396 -64.365 1.00 64.13 H new ATOM 1290 N LEU A 89 47.505 -62.553 -66.282 1.00 41.55 N ATOM 1291 CA LEU A 89 46.501 -63.315 -67.017 1.00 11.44 C ATOM 1292 C LEU A 89 46.175 -62.645 -68.348 1.00 63.50 C ATOM 1293 O LEU A 89 46.427 -61.454 -68.535 1.00 72.53 O ATOM 1294 CB LEU A 89 45.228 -63.457 -66.180 1.00 23.51 C ATOM 1295 CG LEU A 89 45.432 -63.749 -64.693 1.00 30.52 C ATOM 1296 CD1 LEU A 89 46.543 -64.769 -64.496 1.00 43.23 C ATOM 1297 CD2 LEU A 89 45.742 -62.467 -63.935 1.00 42.20 C ATOM 0 H LEU A 89 47.153 -61.700 -65.847 1.00 41.55 H new ATOM 0 HA LEU A 89 46.909 -64.305 -67.220 1.00 11.44 H new ATOM 0 HB2 LEU A 89 44.651 -62.537 -66.273 1.00 23.51 H new ATOM 0 HB3 LEU A 89 44.623 -64.257 -66.607 1.00 23.51 H new ATOM 0 HG LEU A 89 44.508 -64.168 -64.295 1.00 30.52 H new ATOM 0 HD11 LEU A 89 46.673 -64.964 -63.432 1.00 43.23 H new ATOM 0 HD12 LEU A 89 46.280 -65.696 -65.005 1.00 43.23 H new ATOM 0 HD13 LEU A 89 47.473 -64.379 -64.910 1.00 43.23 H new ATOM 0 HD21 LEU A 89 45.884 -62.694 -62.878 1.00 42.20 H new ATOM 0 HD22 LEU A 89 46.651 -62.019 -64.335 1.00 42.20 H new ATOM 0 HD23 LEU A 89 44.913 -61.768 -64.048 1.00 42.20 H new ATOM 1309 N THR A 90 45.612 -63.419 -69.271 1.00 51.21 N ATOM 1310 CA THR A 90 45.251 -62.901 -70.585 1.00 35.32 C ATOM 1311 C THR A 90 44.472 -61.596 -70.466 1.00 73.35 C ATOM 1312 O THR A 90 43.321 -61.586 -70.027 1.00 1.42 O ATOM 1313 CB THR A 90 44.408 -63.919 -71.377 1.00 10.20 C ATOM 1314 OG1 THR A 90 43.119 -64.066 -70.770 1.00 42.43 O ATOM 1315 CG2 THR A 90 45.104 -65.270 -71.434 1.00 62.11 C ATOM 0 H THR A 90 45.396 -64.406 -69.133 1.00 51.21 H new ATOM 0 HA THR A 90 46.183 -62.717 -71.120 1.00 35.32 H new ATOM 0 HB THR A 90 44.290 -63.546 -72.394 1.00 10.20 H new ATOM 0 HG1 THR A 90 42.974 -63.339 -70.129 1.00 42.43 H new ATOM 0 HG21 THR A 90 44.490 -65.972 -71.998 1.00 62.11 H new ATOM 0 HG22 THR A 90 46.072 -65.160 -71.923 1.00 62.11 H new ATOM 0 HG23 THR A 90 45.250 -65.647 -70.422 1.00 62.11 H new ATOM 1323 N LEU A 91 45.105 -60.497 -70.862 1.00 34.33 N ATOM 1324 CA LEU A 91 44.470 -59.185 -70.801 1.00 21.13 C ATOM 1325 C LEU A 91 43.133 -59.192 -71.536 1.00 5.14 C ATOM 1326 O LEU A 91 42.245 -58.394 -71.237 1.00 52.12 O ATOM 1327 CB LEU A 91 45.391 -58.123 -71.404 1.00 0.15 C ATOM 1328 CG LEU A 91 45.509 -58.124 -72.928 1.00 64.10 C ATOM 1329 CD1 LEU A 91 46.126 -56.822 -73.417 1.00 34.44 C ATOM 1330 CD2 LEU A 91 46.332 -59.315 -73.398 1.00 73.12 C ATOM 0 H LEU A 91 46.057 -60.488 -71.229 1.00 34.33 H new ATOM 0 HA LEU A 91 44.286 -58.946 -69.754 1.00 21.13 H new ATOM 0 HB2 LEU A 91 45.037 -57.142 -71.088 1.00 0.15 H new ATOM 0 HB3 LEU A 91 46.388 -58.253 -70.982 1.00 0.15 H new ATOM 0 HG LEU A 91 44.508 -58.209 -73.351 1.00 64.10 H new ATOM 0 HD11 LEU A 91 46.202 -56.841 -74.504 1.00 34.44 H new ATOM 0 HD12 LEU A 91 45.498 -55.985 -73.112 1.00 34.44 H new ATOM 0 HD13 LEU A 91 47.120 -56.706 -72.986 1.00 34.44 H new ATOM 0 HD21 LEU A 91 46.406 -59.300 -74.485 1.00 73.12 H new ATOM 0 HD22 LEU A 91 47.331 -59.260 -72.966 1.00 73.12 H new ATOM 0 HD23 LEU A 91 45.849 -60.239 -73.080 1.00 73.12 H new ATOM 1342 N VAL A 92 42.997 -60.100 -72.497 1.00 42.20 N ATOM 1343 CA VAL A 92 41.768 -60.213 -73.273 1.00 32.24 C ATOM 1344 C VAL A 92 40.562 -60.422 -72.364 1.00 31.34 C ATOM 1345 O VAL A 92 39.473 -59.912 -72.630 1.00 24.11 O ATOM 1346 CB VAL A 92 41.845 -61.376 -74.280 1.00 41.31 C ATOM 1347 CG1 VAL A 92 42.957 -61.135 -75.289 1.00 42.35 C ATOM 1348 CG2 VAL A 92 42.050 -62.697 -73.554 1.00 52.31 C ATOM 0 H VAL A 92 43.723 -60.768 -72.757 1.00 42.20 H new ATOM 0 HA VAL A 92 41.651 -59.277 -73.819 1.00 32.24 H new ATOM 0 HB VAL A 92 40.900 -61.428 -74.821 1.00 41.31 H new ATOM 0 HG11 VAL A 92 42.997 -61.967 -75.992 1.00 42.35 H new ATOM 0 HG12 VAL A 92 42.762 -60.210 -75.831 1.00 42.35 H new ATOM 0 HG13 VAL A 92 43.911 -61.055 -74.767 1.00 42.35 H new ATOM 0 HG21 VAL A 92 42.102 -63.507 -74.281 1.00 52.31 H new ATOM 0 HG22 VAL A 92 42.979 -62.659 -72.985 1.00 52.31 H new ATOM 0 HG23 VAL A 92 41.216 -62.872 -72.875 1.00 52.31 H new ATOM 1358 N LYS A 93 40.762 -61.176 -71.288 1.00 5.01 N ATOM 1359 CA LYS A 93 39.693 -61.452 -70.336 1.00 73.45 C ATOM 1360 C LYS A 93 39.116 -60.157 -69.774 1.00 43.14 C ATOM 1361 O LYS A 93 37.900 -59.971 -69.742 1.00 13.34 O ATOM 1362 CB LYS A 93 40.212 -62.330 -69.195 1.00 14.31 C ATOM 1363 CG LYS A 93 39.198 -62.545 -68.084 1.00 60.35 C ATOM 1364 CD LYS A 93 39.654 -61.909 -66.782 1.00 71.11 C ATOM 1365 CE LYS A 93 38.677 -62.192 -65.651 1.00 75.05 C ATOM 1366 NZ LYS A 93 39.130 -63.324 -64.797 1.00 0.25 N ATOM 0 H LYS A 93 41.656 -61.607 -71.054 1.00 5.01 H new ATOM 0 HA LYS A 93 38.900 -61.983 -70.863 1.00 73.45 H new ATOM 0 HB2 LYS A 93 40.507 -63.299 -69.598 1.00 14.31 H new ATOM 0 HB3 LYS A 93 41.108 -61.873 -68.775 1.00 14.31 H new ATOM 0 HG2 LYS A 93 38.238 -62.122 -68.380 1.00 60.35 H new ATOM 0 HG3 LYS A 93 39.043 -63.613 -67.933 1.00 60.35 H new ATOM 0 HD2 LYS A 93 40.640 -62.289 -66.516 1.00 71.11 H new ATOM 0 HD3 LYS A 93 39.754 -60.832 -66.917 1.00 71.11 H new ATOM 0 HE2 LYS A 93 38.562 -61.298 -65.038 1.00 75.05 H new ATOM 0 HE3 LYS A 93 37.696 -62.421 -66.067 1.00 75.05 H new ATOM 0 HZ1 LYS A 93 38.437 -63.485 -64.038 1.00 0.25 H new ATOM 0 HZ2 LYS A 93 39.215 -64.183 -65.376 1.00 0.25 H new ATOM 0 HZ3 LYS A 93 40.054 -63.095 -64.379 1.00 0.25 H new ATOM 1380 N ARG A 94 39.997 -59.264 -69.335 1.00 22.34 N ATOM 1381 CA ARG A 94 39.575 -57.986 -68.774 1.00 62.24 C ATOM 1382 C ARG A 94 38.810 -57.166 -69.808 1.00 52.44 C ATOM 1383 O ARG A 94 37.852 -56.466 -69.476 1.00 71.53 O ATOM 1384 CB ARG A 94 40.788 -57.197 -68.278 1.00 22.32 C ATOM 1385 CG ARG A 94 40.517 -56.394 -67.016 1.00 44.24 C ATOM 1386 CD ARG A 94 41.273 -56.958 -65.824 1.00 22.05 C ATOM 1387 NE ARG A 94 40.524 -58.016 -65.151 1.00 70.35 N ATOM 1388 CZ ARG A 94 39.550 -57.786 -64.278 1.00 70.20 C ATOM 1389 NH1 ARG A 94 39.209 -56.542 -63.973 1.00 10.21 N ATOM 1390 NH2 ARG A 94 38.915 -58.802 -63.708 1.00 74.11 N ATOM 0 H ARG A 94 41.007 -59.402 -69.357 1.00 22.34 H new ATOM 0 HA ARG A 94 38.913 -58.188 -67.932 1.00 62.24 H new ATOM 0 HB2 ARG A 94 41.609 -57.889 -68.089 1.00 22.32 H new ATOM 0 HB3 ARG A 94 41.117 -56.520 -69.066 1.00 22.32 H new ATOM 0 HG2 ARG A 94 40.808 -55.356 -67.175 1.00 44.24 H new ATOM 0 HG3 ARG A 94 39.448 -56.397 -66.804 1.00 44.24 H new ATOM 0 HD2 ARG A 94 42.234 -57.350 -66.157 1.00 22.05 H new ATOM 0 HD3 ARG A 94 41.484 -56.156 -65.116 1.00 22.05 H new ATOM 0 HE ARG A 94 40.762 -58.985 -65.363 1.00 70.35 H new ATOM 0 HH11 ARG A 94 39.695 -55.758 -64.409 1.00 10.21 H new ATOM 0 HH12 ARG A 94 38.461 -56.368 -63.302 1.00 10.21 H new ATOM 0 HH21 ARG A 94 39.175 -59.761 -63.940 1.00 74.11 H new ATOM 0 HH22 ARG A 94 38.167 -58.624 -63.038 1.00 74.11 H new ATOM 1404 N HIS A 95 39.239 -57.255 -71.063 1.00 62.22 N ATOM 1405 CA HIS A 95 38.594 -56.521 -72.146 1.00 64.22 C ATOM 1406 C HIS A 95 37.173 -57.027 -72.375 1.00 23.13 C ATOM 1407 O HIS A 95 36.271 -56.250 -72.683 1.00 54.43 O ATOM 1408 CB HIS A 95 39.408 -56.652 -73.434 1.00 51.42 C ATOM 1409 CG HIS A 95 40.641 -55.802 -73.452 1.00 50.35 C ATOM 1410 ND1 HIS A 95 41.877 -56.277 -73.838 1.00 11.34 N ATOM 1411 CD2 HIS A 95 40.823 -54.499 -73.132 1.00 24.31 C ATOM 1412 CE1 HIS A 95 42.766 -55.304 -73.751 1.00 44.24 C ATOM 1413 NE2 HIS A 95 42.153 -54.214 -73.326 1.00 34.51 N ATOM 0 H HIS A 95 40.031 -57.828 -71.355 1.00 62.22 H new ATOM 0 HA HIS A 95 38.545 -55.470 -71.861 1.00 64.22 H new ATOM 0 HB2 HIS A 95 39.694 -57.695 -73.569 1.00 51.42 H new ATOM 0 HB3 HIS A 95 38.778 -56.382 -74.281 1.00 51.42 H new ATOM 0 HD1 HIS A 95 42.074 -57.230 -74.143 1.00 11.34 H new ATOM 0 HD2 HIS A 95 40.064 -53.812 -72.788 1.00 24.31 H new ATOM 0 HE1 HIS A 95 43.817 -55.386 -73.987 1.00 44.24 H new ATOM 1421 N GLN A 96 36.984 -58.334 -72.222 1.00 14.44 N ATOM 1422 CA GLN A 96 35.673 -58.942 -72.413 1.00 35.31 C ATOM 1423 C GLN A 96 34.744 -58.612 -71.249 1.00 21.42 C ATOM 1424 O GLN A 96 33.534 -58.469 -71.428 1.00 12.34 O ATOM 1425 CB GLN A 96 35.807 -60.459 -72.559 1.00 44.02 C ATOM 1426 CG GLN A 96 34.481 -61.198 -72.485 1.00 11.33 C ATOM 1427 CD GLN A 96 34.293 -62.176 -73.627 1.00 53.14 C ATOM 1428 OE1 GLN A 96 34.672 -61.899 -74.766 1.00 11.13 O ATOM 1429 NE2 GLN A 96 33.704 -63.329 -73.330 1.00 4.54 N ATOM 0 H GLN A 96 37.721 -58.991 -71.967 1.00 14.44 H new ATOM 0 HA GLN A 96 35.241 -58.533 -73.326 1.00 35.31 H new ATOM 0 HB2 GLN A 96 36.285 -60.683 -73.513 1.00 44.02 H new ATOM 0 HB3 GLN A 96 36.466 -60.834 -71.776 1.00 44.02 H new ATOM 0 HG2 GLN A 96 34.421 -61.735 -71.538 1.00 11.33 H new ATOM 0 HG3 GLN A 96 33.666 -60.475 -72.493 1.00 11.33 H new ATOM 0 HE21 GLN A 96 33.406 -63.518 -72.373 1.00 4.54 H new ATOM 0 HE22 GLN A 96 33.550 -64.026 -74.059 1.00 4.54 H new ATOM 1438 N LEU A 97 35.318 -58.494 -70.057 1.00 14.05 N ATOM 1439 CA LEU A 97 34.541 -58.181 -68.862 1.00 23.13 C ATOM 1440 C LEU A 97 33.865 -56.820 -68.993 1.00 31.23 C ATOM 1441 O LEU A 97 32.660 -56.692 -68.775 1.00 12.34 O ATOM 1442 CB LEU A 97 35.442 -58.199 -67.625 1.00 53.13 C ATOM 1443 CG LEU A 97 35.721 -59.574 -67.018 1.00 35.13 C ATOM 1444 CD1 LEU A 97 36.660 -59.452 -65.828 1.00 42.42 C ATOM 1445 CD2 LEU A 97 34.420 -60.249 -66.605 1.00 42.54 C ATOM 0 H LEU A 97 36.318 -58.610 -69.892 1.00 14.05 H new ATOM 0 HA LEU A 97 33.767 -58.941 -68.752 1.00 23.13 H new ATOM 0 HB2 LEU A 97 36.395 -57.740 -67.888 1.00 53.13 H new ATOM 0 HB3 LEU A 97 34.986 -57.572 -66.859 1.00 53.13 H new ATOM 0 HG LEU A 97 36.204 -60.192 -67.775 1.00 35.13 H new ATOM 0 HD11 LEU A 97 36.847 -60.441 -65.409 1.00 42.42 H new ATOM 0 HD12 LEU A 97 37.603 -59.011 -66.152 1.00 42.42 H new ATOM 0 HD13 LEU A 97 36.204 -58.817 -65.069 1.00 42.42 H new ATOM 0 HD21 LEU A 97 34.638 -61.227 -66.175 1.00 42.54 H new ATOM 0 HD22 LEU A 97 33.909 -59.633 -65.865 1.00 42.54 H new ATOM 0 HD23 LEU A 97 33.780 -60.371 -67.479 1.00 42.54 H new ATOM 1457 N ILE A 98 34.648 -55.808 -69.352 1.00 74.50 N ATOM 1458 CA ILE A 98 34.123 -54.458 -69.515 1.00 62.34 C ATOM 1459 C ILE A 98 33.490 -54.277 -70.891 1.00 34.44 C ATOM 1460 O ILE A 98 32.602 -53.443 -71.072 1.00 24.11 O ATOM 1461 CB ILE A 98 35.226 -53.400 -69.327 1.00 52.43 C ATOM 1462 CG1 ILE A 98 36.305 -53.560 -70.400 1.00 4.14 C ATOM 1463 CG2 ILE A 98 35.833 -53.508 -67.936 1.00 73.35 C ATOM 1464 CD1 ILE A 98 37.309 -52.428 -70.421 1.00 32.12 C ATOM 0 H ILE A 98 35.647 -55.897 -69.535 1.00 74.50 H new ATOM 0 HA ILE A 98 33.362 -54.319 -68.747 1.00 62.34 H new ATOM 0 HB ILE A 98 34.781 -52.410 -69.431 1.00 52.43 H new ATOM 0 HG12 ILE A 98 36.832 -54.500 -70.236 1.00 4.14 H new ATOM 0 HG13 ILE A 98 35.827 -53.629 -71.377 1.00 4.14 H new ATOM 0 HG21 ILE A 98 36.611 -52.754 -67.819 1.00 73.35 H new ATOM 0 HG22 ILE A 98 35.057 -53.349 -67.187 1.00 73.35 H new ATOM 0 HG23 ILE A 98 36.266 -54.499 -67.804 1.00 73.35 H new ATOM 0 HD11 ILE A 98 38.044 -52.608 -71.206 1.00 32.12 H new ATOM 0 HD12 ILE A 98 36.793 -51.488 -70.615 1.00 32.12 H new ATOM 0 HD13 ILE A 98 37.814 -52.372 -69.457 1.00 32.12 H new ATOM 1476 N TYR A 99 33.950 -55.065 -71.856 1.00 34.30 N ATOM 1477 CA TYR A 99 33.428 -54.992 -73.216 1.00 24.03 C ATOM 1478 C TYR A 99 33.137 -53.547 -73.610 1.00 60.44 C ATOM 1479 O TYR A 99 32.079 -53.243 -74.159 1.00 70.24 O ATOM 1480 CB TYR A 99 32.158 -55.834 -73.343 1.00 55.42 C ATOM 1481 CG TYR A 99 31.121 -55.530 -72.285 1.00 4.23 C ATOM 1482 CD1 TYR A 99 31.119 -56.209 -71.072 1.00 52.13 C ATOM 1483 CD2 TYR A 99 30.145 -54.565 -72.497 1.00 12.21 C ATOM 1484 CE1 TYR A 99 30.174 -55.935 -70.102 1.00 72.34 C ATOM 1485 CE2 TYR A 99 29.197 -54.284 -71.532 1.00 51.42 C ATOM 1486 CZ TYR A 99 29.215 -54.972 -70.337 1.00 4.41 C ATOM 1487 OH TYR A 99 28.272 -54.695 -69.374 1.00 31.41 O ATOM 0 H TYR A 99 34.683 -55.762 -71.722 1.00 34.30 H new ATOM 0 HA TYR A 99 34.186 -55.388 -73.892 1.00 24.03 H new ATOM 0 HB2 TYR A 99 31.720 -55.669 -74.327 1.00 55.42 H new ATOM 0 HB3 TYR A 99 32.425 -56.889 -73.286 1.00 55.42 H new ATOM 0 HD1 TYR A 99 31.869 -56.963 -70.885 1.00 52.13 H new ATOM 0 HD2 TYR A 99 30.127 -54.025 -73.432 1.00 12.21 H new ATOM 0 HE1 TYR A 99 30.186 -56.472 -69.165 1.00 72.34 H new ATOM 0 HE2 TYR A 99 28.446 -53.529 -71.713 1.00 51.42 H new ATOM 0 HH TYR A 99 27.671 -53.991 -69.697 1.00 31.41 H new ATOM 1497 N GLY A 100 34.086 -52.660 -73.326 1.00 73.23 N ATOM 1498 CA GLY A 100 33.913 -51.258 -73.658 1.00 45.03 C ATOM 1499 C GLY A 100 34.641 -50.870 -74.930 1.00 54.25 C ATOM 1500 O GLY A 100 34.192 -49.990 -75.667 1.00 24.01 O ATOM 0 H GLY A 100 34.971 -52.887 -72.872 1.00 73.23 H new ATOM 0 HA2 GLY A 100 32.850 -51.043 -73.771 1.00 45.03 H new ATOM 0 HA3 GLY A 100 34.276 -50.645 -72.833 1.00 45.03 H new ATOM 1504 N LEU A 101 35.767 -51.525 -75.190 1.00 35.32 N ATOM 1505 CA LEU A 101 36.559 -51.243 -76.382 1.00 1.04 C ATOM 1506 C LEU A 101 35.754 -51.516 -77.648 1.00 62.21 C ATOM 1507 O LEU A 101 34.851 -52.353 -77.654 1.00 33.51 O ATOM 1508 CB LEU A 101 37.834 -52.088 -76.382 1.00 4.31 C ATOM 1509 CG LEU A 101 38.552 -52.219 -77.726 1.00 2.13 C ATOM 1510 CD1 LEU A 101 39.209 -50.902 -78.111 1.00 23.54 C ATOM 1511 CD2 LEU A 101 39.584 -53.336 -77.672 1.00 74.45 C ATOM 0 H LEU A 101 36.152 -52.255 -74.591 1.00 35.32 H new ATOM 0 HA LEU A 101 36.830 -50.187 -76.367 1.00 1.04 H new ATOM 0 HB2 LEU A 101 38.530 -51.659 -75.661 1.00 4.31 H new ATOM 0 HB3 LEU A 101 37.583 -53.088 -76.028 1.00 4.31 H new ATOM 0 HG LEU A 101 37.814 -52.469 -78.488 1.00 2.13 H new ATOM 0 HD11 LEU A 101 39.715 -51.014 -79.070 1.00 23.54 H new ATOM 0 HD12 LEU A 101 38.448 -50.126 -78.191 1.00 23.54 H new ATOM 0 HD13 LEU A 101 39.935 -50.621 -77.348 1.00 23.54 H new ATOM 0 HD21 LEU A 101 40.085 -53.415 -78.637 1.00 74.45 H new ATOM 0 HD22 LEU A 101 40.319 -53.115 -76.898 1.00 74.45 H new ATOM 0 HD23 LEU A 101 39.088 -54.279 -77.442 1.00 74.45 H new ATOM 1523 N LEU A 102 36.089 -50.807 -78.720 1.00 52.50 N ATOM 1524 CA LEU A 102 35.399 -50.974 -79.994 1.00 52.24 C ATOM 1525 C LEU A 102 33.965 -50.461 -79.909 1.00 10.42 C ATOM 1526 O LEU A 102 33.057 -51.190 -79.512 1.00 35.22 O ATOM 1527 CB LEU A 102 35.402 -52.446 -80.409 1.00 34.31 C ATOM 1528 CG LEU A 102 35.317 -52.721 -81.911 1.00 3.03 C ATOM 1529 CD1 LEU A 102 36.131 -53.953 -82.275 1.00 5.15 C ATOM 1530 CD2 LEU A 102 33.868 -52.891 -82.341 1.00 73.23 C ATOM 0 H LEU A 102 36.834 -50.111 -78.732 1.00 52.50 H new ATOM 0 HA LEU A 102 35.930 -50.390 -80.745 1.00 52.24 H new ATOM 0 HB2 LEU A 102 36.312 -52.909 -80.026 1.00 34.31 H new ATOM 0 HB3 LEU A 102 34.563 -52.942 -79.921 1.00 34.31 H new ATOM 0 HG LEU A 102 35.734 -51.865 -82.442 1.00 3.03 H new ATOM 0 HD11 LEU A 102 36.059 -54.133 -83.348 1.00 5.15 H new ATOM 0 HD12 LEU A 102 37.174 -53.793 -82.004 1.00 5.15 H new ATOM 0 HD13 LEU A 102 35.744 -54.817 -81.735 1.00 5.15 H new ATOM 0 HD21 LEU A 102 33.827 -53.086 -83.413 1.00 73.23 H new ATOM 0 HD22 LEU A 102 33.425 -53.729 -81.803 1.00 73.23 H new ATOM 0 HD23 LEU A 102 33.313 -51.980 -82.116 1.00 73.23 H new ATOM 1542 N SER A 103 33.769 -49.201 -80.286 1.00 22.03 N ATOM 1543 CA SER A 103 32.446 -48.589 -80.250 1.00 60.30 C ATOM 1544 C SER A 103 32.502 -47.145 -80.740 1.00 34.53 C ATOM 1545 O SER A 103 31.968 -46.817 -81.799 1.00 50.34 O ATOM 1546 CB SER A 103 31.877 -48.637 -78.831 1.00 0.13 C ATOM 1547 OG SER A 103 30.802 -49.556 -78.743 1.00 14.52 O ATOM 0 H SER A 103 34.510 -48.584 -80.620 1.00 22.03 H new ATOM 0 HA SER A 103 31.793 -49.155 -80.914 1.00 60.30 H new ATOM 0 HB2 SER A 103 32.662 -48.923 -78.131 1.00 0.13 H new ATOM 0 HB3 SER A 103 31.535 -47.644 -78.539 1.00 0.13 H new ATOM 0 HG SER A 103 31.122 -50.456 -78.963 1.00 14.52 H new ATOM 1553 N ASP A 104 33.151 -46.288 -79.960 1.00 42.14 N ATOM 1554 CA ASP A 104 33.279 -44.879 -80.314 1.00 15.22 C ATOM 1555 C ASP A 104 34.349 -44.681 -81.383 1.00 33.22 C ATOM 1556 O ASP A 104 34.203 -43.843 -82.272 1.00 5.23 O ATOM 1557 CB ASP A 104 33.618 -44.049 -79.075 1.00 3.02 C ATOM 1558 CG ASP A 104 33.295 -42.579 -79.256 1.00 10.01 C ATOM 1559 OD1 ASP A 104 33.755 -41.989 -80.256 1.00 2.31 O ATOM 1560 OD2 ASP A 104 32.581 -42.019 -78.398 1.00 50.13 O ATOM 0 H ASP A 104 33.597 -46.544 -79.079 1.00 42.14 H new ATOM 0 HA ASP A 104 32.323 -44.543 -80.717 1.00 15.22 H new ATOM 0 HB2 ASP A 104 33.065 -44.437 -78.219 1.00 3.02 H new ATOM 0 HB3 ASP A 104 34.678 -44.159 -78.846 1.00 3.02 H new ATOM 1565 N GLU A 105 35.423 -45.458 -81.288 1.00 62.33 N ATOM 1566 CA GLU A 105 36.518 -45.366 -82.247 1.00 23.43 C ATOM 1567 C GLU A 105 36.003 -45.501 -83.677 1.00 14.04 C ATOM 1568 O GLU A 105 36.561 -44.919 -84.607 1.00 14.20 O ATOM 1569 CB GLU A 105 37.563 -46.448 -81.966 1.00 24.12 C ATOM 1570 CG GLU A 105 37.329 -47.736 -82.738 1.00 3.32 C ATOM 1571 CD GLU A 105 38.125 -48.901 -82.183 1.00 34.52 C ATOM 1572 OE1 GLU A 105 37.895 -49.274 -81.013 1.00 40.23 O ATOM 1573 OE2 GLU A 105 38.977 -49.441 -82.919 1.00 73.52 O ATOM 0 H GLU A 105 35.558 -46.157 -80.558 1.00 62.33 H new ATOM 0 HA GLU A 105 36.981 -44.385 -82.137 1.00 23.43 H new ATOM 0 HB2 GLU A 105 38.551 -46.060 -82.214 1.00 24.12 H new ATOM 0 HB3 GLU A 105 37.566 -46.670 -80.899 1.00 24.12 H new ATOM 0 HG2 GLU A 105 36.267 -47.982 -82.714 1.00 3.32 H new ATOM 0 HG3 GLU A 105 37.597 -47.583 -83.783 1.00 3.32 H new ATOM 1580 N PHE A 106 34.934 -46.273 -83.844 1.00 22.23 N ATOM 1581 CA PHE A 106 34.343 -46.486 -85.160 1.00 23.43 C ATOM 1582 C PHE A 106 33.544 -45.264 -85.602 1.00 2.13 C ATOM 1583 O PHE A 106 33.400 -45.000 -86.796 1.00 32.24 O ATOM 1584 CB PHE A 106 33.440 -47.721 -85.143 1.00 31.34 C ATOM 1585 CG PHE A 106 33.672 -48.650 -86.300 1.00 25.23 C ATOM 1586 CD1 PHE A 106 33.765 -48.159 -87.592 1.00 33.00 C ATOM 1587 CD2 PHE A 106 33.798 -50.015 -86.095 1.00 44.12 C ATOM 1588 CE1 PHE A 106 33.979 -49.011 -88.659 1.00 60.10 C ATOM 1589 CE2 PHE A 106 34.013 -50.872 -87.158 1.00 42.41 C ATOM 1590 CZ PHE A 106 34.102 -50.369 -88.442 1.00 24.43 C ATOM 0 H PHE A 106 34.459 -46.761 -83.085 1.00 22.23 H new ATOM 0 HA PHE A 106 35.152 -46.646 -85.872 1.00 23.43 H new ATOM 0 HB2 PHE A 106 33.600 -48.266 -84.213 1.00 31.34 H new ATOM 0 HB3 PHE A 106 32.398 -47.400 -85.149 1.00 31.34 H new ATOM 0 HD1 PHE A 106 33.669 -47.098 -87.768 1.00 33.00 H new ATOM 0 HD2 PHE A 106 33.727 -50.413 -85.094 1.00 44.12 H new ATOM 0 HE1 PHE A 106 34.050 -48.615 -89.661 1.00 60.10 H new ATOM 0 HE2 PHE A 106 34.111 -51.934 -86.985 1.00 42.41 H new ATOM 0 HZ PHE A 106 34.267 -51.037 -89.274 1.00 24.43 H new ATOM 1600 N LYS A 107 33.026 -44.520 -84.630 1.00 20.50 N ATOM 1601 CA LYS A 107 32.242 -43.325 -84.916 1.00 33.00 C ATOM 1602 C LYS A 107 33.062 -42.313 -85.710 1.00 72.41 C ATOM 1603 O LYS A 107 32.514 -41.518 -86.473 1.00 11.14 O ATOM 1604 CB LYS A 107 31.750 -42.689 -83.614 1.00 31.12 C ATOM 1605 CG LYS A 107 30.925 -41.432 -83.825 1.00 13.52 C ATOM 1606 CD LYS A 107 29.812 -41.316 -82.797 1.00 13.12 C ATOM 1607 CE LYS A 107 28.443 -41.279 -83.459 1.00 51.01 C ATOM 1608 NZ LYS A 107 27.852 -42.640 -83.587 1.00 14.33 N ATOM 0 H LYS A 107 33.135 -44.724 -83.637 1.00 20.50 H new ATOM 0 HA LYS A 107 31.382 -43.621 -85.517 1.00 33.00 H new ATOM 0 HB2 LYS A 107 31.153 -43.418 -83.067 1.00 31.12 H new ATOM 0 HB3 LYS A 107 32.610 -42.448 -82.989 1.00 31.12 H new ATOM 0 HG2 LYS A 107 31.572 -40.557 -83.763 1.00 13.52 H new ATOM 0 HG3 LYS A 107 30.496 -41.441 -84.827 1.00 13.52 H new ATOM 0 HD2 LYS A 107 29.862 -42.160 -82.109 1.00 13.12 H new ATOM 0 HD3 LYS A 107 29.955 -40.412 -82.205 1.00 13.12 H new ATOM 0 HE2 LYS A 107 27.774 -40.646 -82.875 1.00 51.01 H new ATOM 0 HE3 LYS A 107 28.529 -40.826 -84.447 1.00 51.01 H new ATOM 0 HZ1 LYS A 107 26.920 -42.572 -84.043 1.00 14.33 H new ATOM 0 HZ2 LYS A 107 28.477 -43.237 -84.165 1.00 14.33 H new ATOM 0 HZ3 LYS A 107 27.746 -43.063 -82.643 1.00 14.33 H new ATOM 1622 N ALA A 108 34.378 -42.351 -85.527 1.00 14.32 N ATOM 1623 CA ALA A 108 35.273 -41.440 -86.229 1.00 12.51 C ATOM 1624 C ALA A 108 35.949 -42.133 -87.407 1.00 33.12 C ATOM 1625 O ALA A 108 36.253 -41.503 -88.419 1.00 22.50 O ATOM 1626 CB ALA A 108 36.317 -40.883 -85.272 1.00 34.32 C ATOM 0 H ALA A 108 34.848 -43.003 -84.899 1.00 14.32 H new ATOM 0 HA ALA A 108 34.677 -40.615 -86.620 1.00 12.51 H new ATOM 0 HB1 ALA A 108 36.979 -40.204 -85.810 1.00 34.32 H new ATOM 0 HB2 ALA A 108 35.820 -40.343 -84.466 1.00 34.32 H new ATOM 0 HB3 ALA A 108 36.901 -41.703 -84.853 1.00 34.32 H new ATOM 1632 N GLY A 109 36.181 -43.435 -87.267 1.00 43.24 N ATOM 1633 CA GLY A 109 36.821 -44.192 -88.328 1.00 14.13 C ATOM 1634 C GLY A 109 38.262 -44.534 -88.008 1.00 21.25 C ATOM 1635 O GLY A 109 39.042 -44.866 -88.901 1.00 24.41 O ATOM 0 H GLY A 109 35.938 -43.979 -86.439 1.00 43.24 H new ATOM 0 HA2 GLY A 109 36.262 -45.112 -88.502 1.00 14.13 H new ATOM 0 HA3 GLY A 109 36.784 -43.617 -89.253 1.00 14.13 H new ATOM 1639 N LEU A 110 38.618 -44.452 -86.730 1.00 63.24 N ATOM 1640 CA LEU A 110 39.977 -44.754 -86.294 1.00 61.51 C ATOM 1641 C LEU A 110 39.985 -45.913 -85.302 1.00 65.33 C ATOM 1642 O LEU A 110 39.121 -46.004 -84.430 1.00 2.22 O ATOM 1643 CB LEU A 110 40.616 -43.519 -85.658 1.00 23.03 C ATOM 1644 CG LEU A 110 40.493 -42.217 -86.449 1.00 43.43 C ATOM 1645 CD1 LEU A 110 40.698 -42.473 -87.934 1.00 64.02 C ATOM 1646 CD2 LEU A 110 39.140 -41.567 -86.200 1.00 51.04 C ATOM 0 H LEU A 110 37.985 -44.179 -85.978 1.00 63.24 H new ATOM 0 HA LEU A 110 40.557 -45.045 -87.170 1.00 61.51 H new ATOM 0 HB2 LEU A 110 40.168 -43.368 -84.676 1.00 23.03 H new ATOM 0 HB3 LEU A 110 41.674 -43.724 -85.497 1.00 23.03 H new ATOM 0 HG LEU A 110 41.270 -41.533 -86.108 1.00 43.43 H new ATOM 0 HD11 LEU A 110 40.607 -41.535 -88.481 1.00 64.02 H new ATOM 0 HD12 LEU A 110 41.690 -42.893 -88.097 1.00 64.02 H new ATOM 0 HD13 LEU A 110 39.944 -43.175 -88.290 1.00 64.02 H new ATOM 0 HD21 LEU A 110 39.070 -40.641 -86.771 1.00 51.04 H new ATOM 0 HD22 LEU A 110 38.347 -42.247 -86.512 1.00 51.04 H new ATOM 0 HD23 LEU A 110 39.032 -41.347 -85.138 1.00 51.04 H new ATOM 1658 N HIS A 111 40.969 -46.797 -85.441 1.00 32.02 N ATOM 1659 CA HIS A 111 41.092 -47.949 -84.555 1.00 34.21 C ATOM 1660 C HIS A 111 41.240 -47.505 -83.103 1.00 3.20 C ATOM 1661 O HIS A 111 41.066 -46.329 -82.783 1.00 24.42 O ATOM 1662 CB HIS A 111 42.289 -48.808 -84.963 1.00 3.51 C ATOM 1663 CG HIS A 111 41.942 -50.244 -85.204 1.00 23.55 C ATOM 1664 ND1 HIS A 111 41.012 -50.930 -84.451 1.00 62.31 N ATOM 1665 CD2 HIS A 111 42.405 -51.126 -86.121 1.00 4.52 C ATOM 1666 CE1 HIS A 111 40.920 -52.171 -84.894 1.00 34.41 C ATOM 1667 NE2 HIS A 111 41.754 -52.316 -85.907 1.00 45.43 N ATOM 0 H HIS A 111 41.692 -46.737 -86.158 1.00 32.02 H new ATOM 0 HA HIS A 111 40.182 -48.543 -84.644 1.00 34.21 H new ATOM 0 HB2 HIS A 111 42.731 -48.393 -85.869 1.00 3.51 H new ATOM 0 HB3 HIS A 111 43.048 -48.752 -84.183 1.00 3.51 H new ATOM 0 HD1 HIS A 111 40.479 -50.540 -83.674 1.00 62.31 H new ATOM 0 HD2 HIS A 111 43.148 -50.930 -86.880 1.00 4.52 H new ATOM 0 HE1 HIS A 111 40.272 -52.937 -84.495 1.00 34.41 H new ATOM 1675 N ALA A 112 41.562 -48.453 -82.229 1.00 1.20 N ATOM 1676 CA ALA A 112 41.735 -48.159 -80.812 1.00 1.41 C ATOM 1677 C ALA A 112 42.684 -49.156 -80.156 1.00 43.30 C ATOM 1678 O ALA A 112 42.771 -50.312 -80.572 1.00 11.11 O ATOM 1679 CB ALA A 112 40.389 -48.164 -80.103 1.00 74.24 C ATOM 0 H ALA A 112 41.708 -49.431 -82.478 1.00 1.20 H new ATOM 0 HA ALA A 112 42.176 -47.166 -80.724 1.00 1.41 H new ATOM 0 HB1 ALA A 112 40.534 -47.943 -79.046 1.00 74.24 H new ATOM 0 HB2 ALA A 112 39.741 -47.408 -80.546 1.00 74.24 H new ATOM 0 HB3 ALA A 112 39.926 -49.145 -80.208 1.00 74.24 H new ATOM 1685 N LEU A 113 43.395 -48.702 -79.130 1.00 1.42 N ATOM 1686 CA LEU A 113 44.339 -49.554 -78.416 1.00 65.32 C ATOM 1687 C LEU A 113 43.990 -49.631 -76.933 1.00 65.43 C ATOM 1688 O LEU A 113 43.772 -48.610 -76.283 1.00 3.30 O ATOM 1689 CB LEU A 113 45.765 -49.027 -78.590 1.00 11.14 C ATOM 1690 CG LEU A 113 45.968 -47.537 -78.312 1.00 54.15 C ATOM 1691 CD1 LEU A 113 46.937 -47.336 -77.159 1.00 5.45 C ATOM 1692 CD2 LEU A 113 46.467 -46.825 -79.561 1.00 73.25 C ATOM 0 H LEU A 113 43.336 -47.748 -78.774 1.00 1.42 H new ATOM 0 HA LEU A 113 44.275 -50.557 -78.837 1.00 65.32 H new ATOM 0 HB2 LEU A 113 46.423 -49.592 -77.930 1.00 11.14 H new ATOM 0 HB3 LEU A 113 46.085 -49.233 -79.612 1.00 11.14 H new ATOM 0 HG LEU A 113 45.007 -47.105 -78.031 1.00 54.15 H new ATOM 0 HD11 LEU A 113 47.069 -46.270 -76.976 1.00 5.45 H new ATOM 0 HD12 LEU A 113 46.539 -47.812 -76.262 1.00 5.45 H new ATOM 0 HD13 LEU A 113 47.899 -47.783 -77.410 1.00 5.45 H new ATOM 0 HD21 LEU A 113 46.606 -45.766 -79.345 1.00 73.25 H new ATOM 0 HD22 LEU A 113 47.417 -47.259 -79.872 1.00 73.25 H new ATOM 0 HD23 LEU A 113 45.736 -46.939 -80.361 1.00 73.25 H new ATOM 1704 N ALA A 114 43.942 -50.850 -76.405 1.00 13.22 N ATOM 1705 CA ALA A 114 43.624 -51.060 -74.998 1.00 33.01 C ATOM 1706 C ALA A 114 44.592 -52.049 -74.358 1.00 61.01 C ATOM 1707 O ALA A 114 45.043 -52.996 -75.002 1.00 52.34 O ATOM 1708 CB ALA A 114 42.191 -51.549 -74.848 1.00 71.31 C ATOM 0 H ALA A 114 44.119 -51.706 -76.930 1.00 13.22 H new ATOM 0 HA ALA A 114 43.727 -50.106 -74.482 1.00 33.01 H new ATOM 0 HB1 ALA A 114 41.967 -51.702 -73.792 1.00 71.31 H new ATOM 0 HB2 ALA A 114 41.508 -50.806 -75.260 1.00 71.31 H new ATOM 0 HB3 ALA A 114 42.070 -52.490 -75.384 1.00 71.31 H new ATOM 1714 N MET A 115 44.908 -51.822 -73.087 1.00 64.53 N ATOM 1715 CA MET A 115 45.824 -52.695 -72.361 1.00 14.13 C ATOM 1716 C MET A 115 45.380 -52.862 -70.911 1.00 12.32 C ATOM 1717 O MET A 115 45.277 -51.887 -70.166 1.00 4.45 O ATOM 1718 CB MET A 115 47.245 -52.132 -72.410 1.00 24.34 C ATOM 1719 CG MET A 115 47.543 -51.341 -73.673 1.00 72.31 C ATOM 1720 SD MET A 115 49.310 -51.193 -74.000 1.00 73.22 S ATOM 1721 CE MET A 115 49.325 -51.207 -75.791 1.00 51.12 C ATOM 0 H MET A 115 44.544 -51.042 -72.539 1.00 64.53 H new ATOM 0 HA MET A 115 45.812 -53.673 -72.841 1.00 14.13 H new ATOM 0 HB2 MET A 115 47.402 -51.490 -71.544 1.00 24.34 H new ATOM 0 HB3 MET A 115 47.956 -52.955 -72.330 1.00 24.34 H new ATOM 0 HG2 MET A 115 47.060 -51.824 -74.522 1.00 72.31 H new ATOM 0 HG3 MET A 115 47.109 -50.345 -73.584 1.00 72.31 H new ATOM 0 HE1 MET A 115 50.352 -51.122 -76.147 1.00 51.12 H new ATOM 0 HE2 MET A 115 48.892 -52.140 -76.151 1.00 51.12 H new ATOM 0 HE3 MET A 115 48.741 -50.367 -76.166 1.00 51.12 H new ATOM 1731 N THR A 116 45.117 -54.104 -70.516 1.00 52.30 N ATOM 1732 CA THR A 116 44.683 -54.398 -69.156 1.00 53.42 C ATOM 1733 C THR A 116 45.730 -55.216 -68.410 1.00 33.24 C ATOM 1734 O THR A 116 46.099 -56.310 -68.837 1.00 63.34 O ATOM 1735 CB THR A 116 43.346 -55.163 -69.146 1.00 61.33 C ATOM 1736 OG1 THR A 116 43.589 -56.574 -69.189 1.00 42.21 O ATOM 1737 CG2 THR A 116 42.481 -54.757 -70.329 1.00 53.54 C ATOM 0 H THR A 116 45.197 -54.923 -71.119 1.00 52.30 H new ATOM 0 HA THR A 116 44.548 -53.440 -68.653 1.00 53.42 H new ATOM 0 HB THR A 116 42.817 -54.913 -68.226 1.00 61.33 H new ATOM 0 HG1 THR A 116 43.052 -56.977 -69.903 1.00 42.21 H new ATOM 0 HG21 THR A 116 41.542 -55.310 -70.300 1.00 53.54 H new ATOM 0 HG22 THR A 116 42.274 -53.688 -70.278 1.00 53.54 H new ATOM 0 HG23 THR A 116 43.006 -54.981 -71.258 1.00 53.54 H new ATOM 1745 N THR A 117 46.205 -54.680 -67.290 1.00 23.23 N ATOM 1746 CA THR A 117 47.211 -55.361 -66.483 1.00 55.14 C ATOM 1747 C THR A 117 46.713 -55.588 -65.061 1.00 13.24 C ATOM 1748 O THR A 117 46.590 -54.646 -64.277 1.00 23.22 O ATOM 1749 CB THR A 117 48.526 -54.562 -66.433 1.00 43.45 C ATOM 1750 OG1 THR A 117 49.375 -55.079 -65.403 1.00 10.13 O ATOM 1751 CG2 THR A 117 48.254 -53.086 -66.181 1.00 21.45 C ATOM 0 H THR A 117 45.909 -53.776 -66.921 1.00 23.23 H new ATOM 0 HA THR A 117 47.398 -56.324 -66.958 1.00 55.14 H new ATOM 0 HB THR A 117 49.023 -54.663 -67.398 1.00 43.45 H new ATOM 0 HG1 THR A 117 50.210 -54.566 -65.379 1.00 10.13 H new ATOM 0 HG21 THR A 117 49.198 -52.542 -66.150 1.00 21.45 H new ATOM 0 HG22 THR A 117 47.633 -52.688 -66.983 1.00 21.45 H new ATOM 0 HG23 THR A 117 47.736 -52.969 -65.229 1.00 21.45 H new ATOM 1759 N LYS A 118 46.427 -56.843 -64.732 1.00 22.12 N ATOM 1760 CA LYS A 118 45.944 -57.195 -63.402 1.00 22.31 C ATOM 1761 C LYS A 118 46.733 -58.369 -62.830 1.00 11.23 C ATOM 1762 O LYS A 118 47.208 -59.231 -63.570 1.00 4.05 O ATOM 1763 CB LYS A 118 44.455 -57.545 -63.454 1.00 1.45 C ATOM 1764 CG LYS A 118 43.903 -58.051 -62.132 1.00 50.22 C ATOM 1765 CD LYS A 118 43.839 -59.569 -62.100 1.00 13.44 C ATOM 1766 CE LYS A 118 42.962 -60.065 -60.960 1.00 1.00 C ATOM 1767 NZ LYS A 118 41.516 -60.026 -61.315 1.00 3.33 N ATOM 0 H LYS A 118 46.521 -57.634 -65.369 1.00 22.12 H new ATOM 0 HA LYS A 118 46.086 -56.332 -62.751 1.00 22.31 H new ATOM 0 HB2 LYS A 118 43.893 -56.662 -63.759 1.00 1.45 H new ATOM 0 HB3 LYS A 118 44.295 -58.304 -64.219 1.00 1.45 H new ATOM 0 HG2 LYS A 118 44.530 -57.695 -61.315 1.00 50.22 H new ATOM 0 HG3 LYS A 118 42.906 -57.640 -61.972 1.00 50.22 H new ATOM 0 HD2 LYS A 118 43.448 -59.938 -63.048 1.00 13.44 H new ATOM 0 HD3 LYS A 118 44.845 -59.975 -61.990 1.00 13.44 H new ATOM 0 HE2 LYS A 118 43.245 -61.085 -60.702 1.00 1.00 H new ATOM 0 HE3 LYS A 118 43.135 -59.452 -60.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 40.952 -60.372 -60.512 1.00 3.33 H new ATOM 0 HZ2 LYS A 118 41.239 -59.048 -61.537 1.00 3.33 H new ATOM 0 HZ3 LYS A 118 41.346 -60.631 -62.144 1.00 3.33 H new ATOM 1781 N THR A 119 46.868 -58.397 -61.507 1.00 75.23 N ATOM 1782 CA THR A 119 47.598 -59.465 -60.836 1.00 51.12 C ATOM 1783 C THR A 119 46.656 -60.575 -60.384 1.00 24.13 C ATOM 1784 O THR A 119 45.602 -60.328 -59.798 1.00 4.45 O ATOM 1785 CB THR A 119 48.372 -58.934 -59.615 1.00 21.33 C ATOM 1786 OG1 THR A 119 48.713 -57.557 -59.811 1.00 71.40 O ATOM 1787 CG2 THR A 119 49.637 -59.747 -59.381 1.00 12.30 C ATOM 0 H THR A 119 46.481 -57.692 -60.880 1.00 75.23 H new ATOM 0 HA THR A 119 48.307 -59.867 -61.560 1.00 51.12 H new ATOM 0 HB THR A 119 47.731 -59.027 -58.738 1.00 21.33 H new ATOM 0 HG1 THR A 119 48.707 -57.352 -60.769 1.00 71.40 H new ATOM 0 HG21 THR A 119 50.167 -59.354 -58.514 1.00 12.30 H new ATOM 0 HG22 THR A 119 49.372 -60.789 -59.202 1.00 12.30 H new ATOM 0 HG23 THR A 119 50.279 -59.681 -60.259 1.00 12.30 H new