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 171:sc= -1.5 USER MOD Set 1.2: A 83 SER OG : rot -170:sc= -0.348 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -118:sc= -0.0627 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -1.33 (180deg=-3.89!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.334 USER MOD Single : A 48 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.76 K(o=-2.8,f=-2) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -130:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -7.8! C(o=-7.8!,f=-11!) 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 154:sc= -4.24! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 54:sc= 1.2 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -146:sc= -0.644 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0233 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 37.711 -36.836 -74.632 1.00 73.32 N ATOM 472 CA ALA A 33 36.941 -37.715 -75.504 1.00 64.31 C ATOM 473 C ALA A 33 35.662 -38.184 -74.820 1.00 72.31 C ATOM 474 O ALA A 33 35.601 -38.283 -73.595 1.00 64.54 O ATOM 475 CB ALA A 33 37.785 -38.909 -75.926 1.00 74.44 C ATOM 0 HA ALA A 33 36.660 -37.150 -76.393 1.00 64.31 H new ATOM 0 HB1 ALA A 33 37.198 -39.557 -76.577 1.00 74.44 H new ATOM 0 HB2 ALA A 33 38.667 -38.560 -76.462 1.00 74.44 H new ATOM 0 HB3 ALA A 33 38.095 -39.466 -75.042 1.00 74.44 H new ATOM 481 N GLY A 34 34.639 -38.471 -75.620 1.00 62.13 N ATOM 482 CA GLY A 34 33.374 -38.925 -75.073 1.00 61.44 C ATOM 483 C GLY A 34 33.538 -40.103 -74.134 1.00 22.34 C ATOM 484 O GLY A 34 32.864 -40.186 -73.108 1.00 13.13 O ATOM 0 H GLY A 34 34.664 -38.397 -76.637 1.00 62.13 H new ATOM 0 HA2 GLY A 34 32.896 -38.103 -74.540 1.00 61.44 H new ATOM 0 HA3 GLY A 34 32.708 -39.205 -75.889 1.00 61.44 H new ATOM 488 N ALA A 35 34.436 -41.018 -74.485 1.00 30.00 N ATOM 489 CA ALA A 35 34.687 -42.197 -73.665 1.00 54.21 C ATOM 490 C ALA A 35 35.185 -41.805 -72.278 1.00 53.01 C ATOM 491 O ALA A 35 35.002 -42.545 -71.311 1.00 21.00 O ATOM 492 CB ALA A 35 35.691 -43.112 -74.350 1.00 1.03 C ATOM 0 H ALA A 35 35.002 -40.965 -75.332 1.00 30.00 H new ATOM 0 HA ALA A 35 33.746 -42.734 -73.546 1.00 54.21 H new ATOM 0 HB1 ALA A 35 35.869 -43.988 -73.727 1.00 1.03 H new ATOM 0 HB2 ALA A 35 35.296 -43.428 -75.316 1.00 1.03 H new ATOM 0 HB3 ALA A 35 36.629 -42.576 -74.499 1.00 1.03 H new ATOM 498 N ILE A 36 35.815 -40.639 -72.188 1.00 54.55 N ATOM 499 CA ILE A 36 36.338 -40.149 -70.919 1.00 64.32 C ATOM 500 C ILE A 36 35.267 -40.179 -69.835 1.00 10.45 C ATOM 501 O ILE A 36 35.563 -40.397 -68.660 1.00 32.35 O ATOM 502 CB ILE A 36 36.881 -38.714 -71.050 1.00 65.10 C ATOM 503 CG1 ILE A 36 38.020 -38.484 -70.054 1.00 12.50 C ATOM 504 CG2 ILE A 36 35.766 -37.704 -70.831 1.00 14.53 C ATOM 505 CD1 ILE A 36 39.238 -37.832 -70.669 1.00 44.23 C ATOM 0 H ILE A 36 35.976 -40.016 -72.979 1.00 54.55 H new ATOM 0 HA ILE A 36 37.155 -40.813 -70.637 1.00 64.32 H new ATOM 0 HB ILE A 36 37.273 -38.580 -72.058 1.00 65.10 H new ATOM 0 HG12 ILE A 36 37.657 -37.860 -69.237 1.00 12.50 H new ATOM 0 HG13 ILE A 36 38.310 -39.440 -69.619 1.00 12.50 H new ATOM 0 HG21 ILE A 36 36.166 -36.694 -70.927 1.00 14.53 H new ATOM 0 HG22 ILE A 36 34.985 -37.857 -71.576 1.00 14.53 H new ATOM 0 HG23 ILE A 36 35.347 -37.835 -69.833 1.00 14.53 H new ATOM 0 HD11 ILE A 36 40.005 -37.700 -69.905 1.00 44.23 H new ATOM 0 HD12 ILE A 36 39.626 -38.465 -71.467 1.00 44.23 H new ATOM 0 HD13 ILE A 36 38.963 -36.860 -71.079 1.00 44.23 H new ATOM 517 N LYS A 37 34.020 -39.958 -70.236 1.00 72.44 N ATOM 518 CA LYS A 37 32.902 -39.962 -69.300 1.00 72.35 C ATOM 519 C LYS A 37 32.748 -41.330 -68.643 1.00 14.01 C ATOM 520 O LYS A 37 32.506 -41.427 -67.440 1.00 34.02 O ATOM 521 CB LYS A 37 31.606 -39.582 -70.020 1.00 41.42 C ATOM 522 CG LYS A 37 30.915 -38.366 -69.427 1.00 45.21 C ATOM 523 CD LYS A 37 30.126 -38.726 -68.180 1.00 74.10 C ATOM 524 CE LYS A 37 28.992 -37.742 -67.935 1.00 21.05 C ATOM 525 NZ LYS A 37 29.488 -36.451 -67.383 1.00 44.44 N ATOM 0 H LYS A 37 33.758 -39.774 -71.204 1.00 72.44 H new ATOM 0 HA LYS A 37 33.108 -39.226 -68.523 1.00 72.35 H new ATOM 0 HB2 LYS A 37 31.827 -39.388 -71.070 1.00 41.42 H new ATOM 0 HB3 LYS A 37 30.921 -40.430 -69.989 1.00 41.42 H new ATOM 0 HG2 LYS A 37 31.658 -37.607 -69.182 1.00 45.21 H new ATOM 0 HG3 LYS A 37 30.246 -37.929 -70.168 1.00 45.21 H new ATOM 0 HD2 LYS A 37 29.720 -39.732 -68.283 1.00 74.10 H new ATOM 0 HD3 LYS A 37 30.792 -38.737 -67.317 1.00 74.10 H new ATOM 0 HE2 LYS A 37 28.463 -37.558 -68.870 1.00 21.05 H new ATOM 0 HE3 LYS A 37 28.273 -38.181 -67.243 1.00 21.05 H new ATOM 0 HZ1 LYS A 37 28.685 -35.808 -67.230 1.00 44.44 H new ATOM 0 HZ2 LYS A 37 29.971 -36.623 -66.478 1.00 44.44 H new ATOM 0 HZ3 LYS A 37 30.154 -36.019 -68.055 1.00 44.44 H new ATOM 539 N SER A 38 32.891 -42.384 -69.440 1.00 35.24 N ATOM 540 CA SER A 38 32.765 -43.747 -68.935 1.00 13.51 C ATOM 541 C SER A 38 33.872 -44.059 -67.934 1.00 25.44 C ATOM 542 O SER A 38 33.628 -44.655 -66.884 1.00 55.13 O ATOM 543 CB SER A 38 32.809 -44.747 -70.091 1.00 61.51 C ATOM 544 OG SER A 38 31.693 -44.586 -70.949 1.00 12.41 O ATOM 0 H SER A 38 33.094 -42.321 -70.438 1.00 35.24 H new ATOM 0 HA SER A 38 31.805 -43.833 -68.426 1.00 13.51 H new ATOM 0 HB2 SER A 38 33.730 -44.611 -70.658 1.00 61.51 H new ATOM 0 HB3 SER A 38 32.824 -45.763 -69.696 1.00 61.51 H new ATOM 0 HG SER A 38 31.162 -45.409 -70.952 1.00 12.41 H new ATOM 550 N LYS A 39 35.093 -43.653 -68.266 1.00 23.43 N ATOM 551 CA LYS A 39 36.241 -43.888 -67.397 1.00 52.21 C ATOM 552 C LYS A 39 36.062 -43.181 -66.057 1.00 45.24 C ATOM 553 O LYS A 39 36.502 -43.676 -65.019 1.00 43.35 O ATOM 554 CB LYS A 39 37.526 -43.405 -68.074 1.00 13.23 C ATOM 555 CG LYS A 39 38.055 -42.098 -67.510 1.00 44.42 C ATOM 556 CD LYS A 39 39.209 -41.559 -68.340 1.00 70.50 C ATOM 557 CE LYS A 39 39.808 -40.308 -67.717 1.00 15.31 C ATOM 558 NZ LYS A 39 38.757 -39.393 -67.192 1.00 14.42 N ATOM 0 H LYS A 39 35.313 -43.159 -69.131 1.00 23.43 H new ATOM 0 HA LYS A 39 36.315 -44.960 -67.215 1.00 52.21 H new ATOM 0 HB2 LYS A 39 38.293 -44.173 -67.970 1.00 13.23 H new ATOM 0 HB3 LYS A 39 37.341 -43.282 -69.141 1.00 13.23 H new ATOM 0 HG2 LYS A 39 37.252 -41.362 -67.481 1.00 44.42 H new ATOM 0 HG3 LYS A 39 38.385 -42.251 -66.482 1.00 44.42 H new ATOM 0 HD2 LYS A 39 39.979 -42.324 -68.434 1.00 70.50 H new ATOM 0 HD3 LYS A 39 38.859 -41.333 -69.347 1.00 70.50 H new ATOM 0 HE2 LYS A 39 40.480 -40.592 -66.907 1.00 15.31 H new ATOM 0 HE3 LYS A 39 40.408 -39.783 -68.461 1.00 15.31 H new ATOM 0 HZ1 LYS A 39 39.099 -38.412 -67.234 1.00 14.42 H new ATOM 0 HZ2 LYS A 39 37.897 -39.485 -67.769 1.00 14.42 H new ATOM 0 HZ3 LYS A 39 38.540 -39.643 -66.206 1.00 14.42 H new ATOM 572 N VAL A 40 35.413 -42.021 -66.087 1.00 64.10 N ATOM 573 CA VAL A 40 35.175 -41.247 -64.874 1.00 74.45 C ATOM 574 C VAL A 40 34.310 -42.024 -63.888 1.00 72.43 C ATOM 575 O VAL A 40 34.572 -42.026 -62.686 1.00 15.30 O ATOM 576 CB VAL A 40 34.492 -39.904 -65.191 1.00 53.35 C ATOM 577 CG1 VAL A 40 33.862 -39.316 -63.938 1.00 3.42 C ATOM 578 CG2 VAL A 40 35.488 -38.931 -65.804 1.00 24.40 C ATOM 0 H VAL A 40 35.043 -41.597 -66.938 1.00 64.10 H new ATOM 0 HA VAL A 40 36.149 -41.054 -64.425 1.00 74.45 H new ATOM 0 HB VAL A 40 33.699 -40.082 -65.918 1.00 53.35 H new ATOM 0 HG11 VAL A 40 33.384 -38.367 -64.182 1.00 3.42 H new ATOM 0 HG12 VAL A 40 33.116 -40.008 -63.547 1.00 3.42 H new ATOM 0 HG13 VAL A 40 34.634 -39.151 -63.186 1.00 3.42 H new ATOM 0 HG21 VAL A 40 34.988 -37.987 -66.022 1.00 24.40 H new ATOM 0 HG22 VAL A 40 36.304 -38.756 -65.103 1.00 24.40 H new ATOM 0 HG23 VAL A 40 35.887 -39.352 -66.727 1.00 24.40 H new ATOM 588 N GLU A 41 33.279 -42.684 -64.406 1.00 75.51 N ATOM 589 CA GLU A 41 32.375 -43.465 -63.570 1.00 33.52 C ATOM 590 C GLU A 41 33.146 -44.493 -62.746 1.00 44.34 C ATOM 591 O GLU A 41 32.746 -44.842 -61.636 1.00 54.35 O ATOM 592 CB GLU A 41 31.327 -44.171 -64.433 1.00 51.03 C ATOM 593 CG GLU A 41 30.665 -43.260 -65.453 1.00 41.33 C ATOM 594 CD GLU A 41 30.113 -41.992 -64.831 1.00 51.23 C ATOM 595 OE1 GLU A 41 29.302 -42.098 -63.888 1.00 54.41 O ATOM 596 OE2 GLU A 41 30.493 -40.893 -65.288 1.00 71.44 O ATOM 0 H GLU A 41 33.049 -42.693 -65.400 1.00 75.51 H new ATOM 0 HA GLU A 41 31.872 -42.780 -62.887 1.00 33.52 H new ATOM 0 HB2 GLU A 41 31.799 -45.004 -64.954 1.00 51.03 H new ATOM 0 HB3 GLU A 41 30.560 -44.594 -63.785 1.00 51.03 H new ATOM 0 HG2 GLU A 41 31.389 -42.997 -66.224 1.00 41.33 H new ATOM 0 HG3 GLU A 41 29.857 -43.800 -65.946 1.00 41.33 H new ATOM 603 N ALA A 42 34.255 -44.973 -63.299 1.00 63.14 N ATOM 604 CA ALA A 42 35.084 -45.959 -62.617 1.00 2.23 C ATOM 605 C ALA A 42 36.074 -45.284 -61.673 1.00 21.51 C ATOM 606 O ALA A 42 36.544 -45.894 -60.713 1.00 3.23 O ATOM 607 CB ALA A 42 35.822 -46.821 -63.630 1.00 52.03 C ATOM 0 H ALA A 42 34.600 -44.695 -64.218 1.00 63.14 H new ATOM 0 HA ALA A 42 34.431 -46.597 -62.022 1.00 2.23 H new ATOM 0 HB1 ALA A 42 36.437 -47.553 -63.106 1.00 52.03 H new ATOM 0 HB2 ALA A 42 35.100 -47.339 -64.261 1.00 52.03 H new ATOM 0 HB3 ALA A 42 36.458 -46.190 -64.250 1.00 52.03 H new ATOM 613 N ALA A 43 36.387 -44.024 -61.953 1.00 52.52 N ATOM 614 CA ALA A 43 37.320 -43.266 -61.128 1.00 70.42 C ATOM 615 C ALA A 43 36.785 -43.096 -59.710 1.00 44.43 C ATOM 616 O ALA A 43 37.550 -43.081 -58.745 1.00 23.11 O ATOM 617 CB ALA A 43 37.598 -41.909 -61.757 1.00 4.05 C ATOM 0 H ALA A 43 36.008 -43.506 -62.746 1.00 52.52 H new ATOM 0 HA ALA A 43 38.254 -43.825 -61.071 1.00 70.42 H new ATOM 0 HB1 ALA A 43 38.296 -41.354 -61.131 1.00 4.05 H new ATOM 0 HB2 ALA A 43 38.031 -42.049 -62.747 1.00 4.05 H new ATOM 0 HB3 ALA A 43 36.666 -41.351 -61.844 1.00 4.05 H new ATOM 623 N LEU A 44 35.469 -42.966 -59.591 1.00 53.33 N ATOM 624 CA LEU A 44 34.831 -42.795 -58.290 1.00 43.02 C ATOM 625 C LEU A 44 35.108 -43.993 -57.387 1.00 53.31 C ATOM 626 O LEU A 44 34.956 -43.912 -56.168 1.00 42.32 O ATOM 627 CB LEU A 44 33.323 -42.607 -58.460 1.00 73.21 C ATOM 628 CG LEU A 44 32.442 -43.739 -57.930 1.00 54.03 C ATOM 629 CD1 LEU A 44 30.987 -43.300 -57.872 1.00 33.13 C ATOM 630 CD2 LEU A 44 32.591 -44.981 -58.796 1.00 63.41 C ATOM 0 H LEU A 44 34.822 -42.976 -60.380 1.00 53.33 H new ATOM 0 HA LEU A 44 35.250 -41.905 -57.821 1.00 43.02 H new ATOM 0 HB2 LEU A 44 33.033 -41.683 -57.959 1.00 73.21 H new ATOM 0 HB3 LEU A 44 33.111 -42.475 -59.521 1.00 73.21 H new ATOM 0 HG LEU A 44 32.768 -43.984 -56.919 1.00 54.03 H new ATOM 0 HD11 LEU A 44 30.375 -44.118 -57.493 1.00 33.13 H new ATOM 0 HD12 LEU A 44 30.893 -42.439 -57.210 1.00 33.13 H new ATOM 0 HD13 LEU A 44 30.649 -43.028 -58.872 1.00 33.13 H new ATOM 0 HD21 LEU A 44 31.957 -45.776 -58.404 1.00 63.41 H new ATOM 0 HD22 LEU A 44 32.292 -44.750 -59.818 1.00 63.41 H new ATOM 0 HD23 LEU A 44 33.631 -45.308 -58.787 1.00 63.41 H new ATOM 642 N SER A 45 35.516 -45.103 -57.993 1.00 52.14 N ATOM 643 CA SER A 45 35.812 -46.318 -57.244 1.00 62.32 C ATOM 644 C SER A 45 37.318 -46.517 -57.105 1.00 4.11 C ATOM 645 O SER A 45 38.118 -45.933 -57.837 1.00 73.44 O ATOM 646 CB SER A 45 35.188 -47.533 -57.934 1.00 12.21 C ATOM 647 OG SER A 45 34.169 -48.106 -57.133 1.00 73.02 O ATOM 0 H SER A 45 35.649 -45.186 -59.001 1.00 52.14 H new ATOM 0 HA SER A 45 35.383 -46.214 -56.248 1.00 62.32 H new ATOM 0 HB2 SER A 45 34.774 -47.235 -58.897 1.00 12.21 H new ATOM 0 HB3 SER A 45 35.959 -48.277 -58.135 1.00 12.21 H new ATOM 0 HG SER A 45 33.785 -48.879 -57.596 1.00 73.02 H new ATOM 653 N PRO A 46 37.716 -47.361 -56.141 1.00 45.33 N ATOM 654 CA PRO A 46 39.129 -47.657 -55.882 1.00 75.23 C ATOM 655 C PRO A 46 39.763 -48.479 -57.000 1.00 12.44 C ATOM 656 O PRO A 46 39.661 -49.706 -57.017 1.00 40.23 O ATOM 657 CB PRO A 46 39.089 -48.464 -54.582 1.00 10.20 C ATOM 658 CG PRO A 46 37.732 -49.078 -54.559 1.00 21.34 C ATOM 659 CD PRO A 46 36.819 -48.091 -55.231 1.00 14.02 C ATOM 0 HA PRO A 46 39.731 -46.751 -55.819 1.00 75.23 H new ATOM 0 HB2 PRO A 46 39.869 -49.226 -54.565 1.00 10.20 H new ATOM 0 HB3 PRO A 46 39.249 -47.824 -53.714 1.00 10.20 H new ATOM 0 HG2 PRO A 46 37.727 -50.034 -55.083 1.00 21.34 H new ATOM 0 HG3 PRO A 46 37.410 -49.274 -53.536 1.00 21.34 H new ATOM 0 HD2 PRO A 46 36.016 -48.591 -55.773 1.00 14.02 H new ATOM 0 HD3 PRO A 46 36.348 -47.423 -54.509 1.00 14.02 H new ATOM 667 N THR A 47 40.419 -47.794 -57.932 1.00 32.42 N ATOM 668 CA THR A 47 41.069 -48.461 -59.053 1.00 42.41 C ATOM 669 C THR A 47 41.826 -47.462 -59.922 1.00 22.53 C ATOM 670 O THR A 47 42.024 -46.311 -59.533 1.00 2.11 O ATOM 671 CB THR A 47 40.049 -49.214 -59.927 1.00 61.32 C ATOM 672 OG1 THR A 47 40.733 -50.047 -60.870 1.00 73.13 O ATOM 673 CG2 THR A 47 39.145 -48.239 -60.666 1.00 33.40 C ATOM 0 H THR A 47 40.514 -46.778 -57.932 1.00 32.42 H new ATOM 0 HA THR A 47 41.773 -49.178 -58.630 1.00 42.41 H new ATOM 0 HB THR A 47 39.433 -49.833 -59.276 1.00 61.32 H new ATOM 0 HG1 THR A 47 40.087 -50.629 -61.322 1.00 73.13 H new ATOM 0 HG21 THR A 47 38.433 -48.794 -61.277 1.00 33.40 H new ATOM 0 HG22 THR A 47 38.604 -47.626 -59.945 1.00 33.40 H new ATOM 0 HG23 THR A 47 39.749 -47.597 -61.307 1.00 33.40 H new ATOM 681 N HIS A 48 42.247 -47.911 -61.100 1.00 41.53 N ATOM 682 CA HIS A 48 42.982 -47.055 -62.025 1.00 70.03 C ATOM 683 C HIS A 48 42.320 -47.047 -63.400 1.00 64.11 C ATOM 684 O HIS A 48 41.797 -48.065 -63.854 1.00 43.25 O ATOM 685 CB HIS A 48 44.432 -47.526 -62.147 1.00 15.03 C ATOM 686 CG HIS A 48 45.433 -46.418 -62.029 1.00 71.53 C ATOM 687 ND1 HIS A 48 46.413 -46.187 -62.971 1.00 23.40 N ATOM 688 CD2 HIS A 48 45.601 -45.474 -61.074 1.00 31.40 C ATOM 689 CE1 HIS A 48 47.142 -45.150 -62.599 1.00 61.21 C ATOM 690 NE2 HIS A 48 46.669 -44.699 -61.451 1.00 45.23 N ATOM 0 H HIS A 48 42.092 -48.861 -61.437 1.00 41.53 H new ATOM 0 HA HIS A 48 42.970 -46.040 -61.629 1.00 70.03 H new ATOM 0 HB2 HIS A 48 44.631 -48.268 -61.374 1.00 15.03 H new ATOM 0 HB3 HIS A 48 44.564 -48.023 -63.108 1.00 15.03 H new ATOM 0 HD2 HIS A 48 45.005 -45.353 -60.181 1.00 31.40 H new ATOM 0 HE1 HIS A 48 47.982 -44.741 -63.141 1.00 61.21 H new ATOM 0 HE2 HIS A 48 47.038 -43.904 -60.929 1.00 45.23 H new ATOM 698 N PHE A 49 42.347 -45.892 -64.057 1.00 73.44 N ATOM 699 CA PHE A 49 41.748 -45.751 -65.380 1.00 30.54 C ATOM 700 C PHE A 49 42.695 -45.026 -66.331 1.00 20.01 C ATOM 701 O PHE A 49 43.206 -43.951 -66.017 1.00 4.01 O ATOM 702 CB PHE A 49 40.423 -44.993 -65.284 1.00 54.24 C ATOM 703 CG PHE A 49 40.518 -43.715 -64.501 1.00 43.11 C ATOM 704 CD1 PHE A 49 40.518 -43.734 -63.116 1.00 24.33 C ATOM 705 CD2 PHE A 49 40.608 -42.494 -65.150 1.00 73.02 C ATOM 706 CE1 PHE A 49 40.607 -42.560 -62.392 1.00 32.23 C ATOM 707 CE2 PHE A 49 40.697 -41.317 -64.432 1.00 13.23 C ATOM 708 CZ PHE A 49 40.695 -41.350 -63.051 1.00 11.32 C ATOM 0 H PHE A 49 42.777 -45.041 -63.696 1.00 73.44 H new ATOM 0 HA PHE A 49 41.560 -46.749 -65.775 1.00 30.54 H new ATOM 0 HB2 PHE A 49 40.069 -44.768 -66.290 1.00 54.24 H new ATOM 0 HB3 PHE A 49 39.677 -45.639 -64.821 1.00 54.24 H new ATOM 0 HD1 PHE A 49 40.448 -44.678 -62.595 1.00 24.33 H new ATOM 0 HD2 PHE A 49 40.609 -42.462 -66.230 1.00 73.02 H new ATOM 0 HE1 PHE A 49 40.608 -42.589 -61.312 1.00 32.23 H new ATOM 0 HE2 PHE A 49 40.768 -40.372 -64.950 1.00 13.23 H new ATOM 0 HZ PHE A 49 40.762 -40.431 -62.488 1.00 11.32 H new ATOM 718 N LYS A 50 42.925 -45.622 -67.496 1.00 31.31 N ATOM 719 CA LYS A 50 43.809 -45.035 -68.495 1.00 45.12 C ATOM 720 C LYS A 50 43.114 -44.940 -69.849 1.00 73.23 C ATOM 721 O LYS A 50 42.811 -45.957 -70.476 1.00 2.32 O ATOM 722 CB LYS A 50 45.089 -45.864 -68.624 1.00 60.42 C ATOM 723 CG LYS A 50 45.822 -45.651 -69.937 1.00 45.11 C ATOM 724 CD LYS A 50 47.086 -46.492 -70.013 1.00 54.13 C ATOM 725 CE LYS A 50 48.335 -45.626 -69.970 1.00 43.14 C ATOM 726 NZ LYS A 50 48.946 -45.466 -71.319 1.00 71.12 N ATOM 0 H LYS A 50 42.511 -46.512 -67.771 1.00 31.31 H new ATOM 0 HA LYS A 50 44.067 -44.028 -68.168 1.00 45.12 H new ATOM 0 HB2 LYS A 50 45.758 -45.615 -67.800 1.00 60.42 H new ATOM 0 HB3 LYS A 50 44.839 -46.920 -68.524 1.00 60.42 H new ATOM 0 HG2 LYS A 50 45.164 -45.906 -70.768 1.00 45.11 H new ATOM 0 HG3 LYS A 50 46.078 -44.597 -70.045 1.00 45.11 H new ATOM 0 HD2 LYS A 50 47.104 -47.200 -69.184 1.00 54.13 H new ATOM 0 HD3 LYS A 50 47.080 -47.078 -70.932 1.00 54.13 H new ATOM 0 HE2 LYS A 50 48.083 -44.645 -69.567 1.00 43.14 H new ATOM 0 HE3 LYS A 50 49.063 -46.072 -69.292 1.00 43.14 H new ATOM 0 HZ1 LYS A 50 49.795 -44.869 -71.247 1.00 71.12 H new ATOM 0 HZ2 LYS A 50 49.210 -46.400 -71.694 1.00 71.12 H new ATOM 0 HZ3 LYS A 50 48.261 -45.017 -71.960 1.00 71.12 H new ATOM 740 N LEU A 51 42.864 -43.714 -70.296 1.00 73.53 N ATOM 741 CA LEU A 51 42.205 -43.487 -71.578 1.00 32.02 C ATOM 742 C LEU A 51 43.008 -42.517 -72.439 1.00 21.53 C ATOM 743 O LEU A 51 43.230 -41.369 -72.055 1.00 3.24 O ATOM 744 CB LEU A 51 40.793 -42.942 -71.358 1.00 14.32 C ATOM 745 CG LEU A 51 39.893 -42.889 -72.593 1.00 45.25 C ATOM 746 CD1 LEU A 51 38.634 -43.713 -72.373 1.00 43.40 C ATOM 747 CD2 LEU A 51 39.538 -41.449 -72.933 1.00 42.32 C ATOM 0 H LEU A 51 43.107 -42.862 -69.790 1.00 73.53 H new ATOM 0 HA LEU A 51 42.142 -44.442 -72.101 1.00 32.02 H new ATOM 0 HB2 LEU A 51 40.302 -43.555 -70.602 1.00 14.32 H new ATOM 0 HB3 LEU A 51 40.874 -41.935 -70.949 1.00 14.32 H new ATOM 0 HG LEU A 51 40.439 -43.316 -73.434 1.00 45.25 H new ATOM 0 HD11 LEU A 51 38.006 -43.663 -73.263 1.00 43.40 H new ATOM 0 HD12 LEU A 51 38.907 -44.750 -72.180 1.00 43.40 H new ATOM 0 HD13 LEU A 51 38.085 -43.317 -71.519 1.00 43.40 H new ATOM 0 HD21 LEU A 51 38.897 -41.431 -73.814 1.00 42.32 H new ATOM 0 HD22 LEU A 51 39.012 -40.996 -72.093 1.00 42.32 H new ATOM 0 HD23 LEU A 51 40.450 -40.888 -73.136 1.00 42.32 H new ATOM 759 N ILE A 52 43.439 -42.987 -73.605 1.00 21.15 N ATOM 760 CA ILE A 52 44.215 -42.160 -74.521 1.00 34.50 C ATOM 761 C ILE A 52 43.584 -42.138 -75.909 1.00 74.10 C ATOM 762 O ILE A 52 43.508 -43.164 -76.584 1.00 12.30 O ATOM 763 CB ILE A 52 45.667 -42.659 -74.638 1.00 31.54 C ATOM 764 CG1 ILE A 52 46.387 -41.938 -75.779 1.00 31.31 C ATOM 765 CG2 ILE A 52 45.694 -44.165 -74.855 1.00 32.15 C ATOM 766 CD1 ILE A 52 46.584 -42.798 -77.008 1.00 21.02 C ATOM 0 H ILE A 52 43.264 -43.935 -73.937 1.00 21.15 H new ATOM 0 HA ILE A 52 44.219 -41.151 -74.109 1.00 34.50 H new ATOM 0 HB ILE A 52 46.188 -42.436 -73.707 1.00 31.54 H new ATOM 0 HG12 ILE A 52 45.817 -41.050 -76.054 1.00 31.31 H new ATOM 0 HG13 ILE A 52 47.359 -41.596 -75.425 1.00 31.31 H new ATOM 0 HG21 ILE A 52 46.727 -44.502 -74.936 1.00 32.15 H new ATOM 0 HG22 ILE A 52 45.215 -44.663 -74.012 1.00 32.15 H new ATOM 0 HG23 ILE A 52 45.160 -44.410 -75.773 1.00 32.15 H new ATOM 0 HD11 ILE A 52 47.101 -42.222 -77.776 1.00 21.02 H new ATOM 0 HD12 ILE A 52 47.180 -43.673 -76.748 1.00 21.02 H new ATOM 0 HD13 ILE A 52 45.614 -43.119 -77.387 1.00 21.02 H new ATOM 778 N ASN A 53 43.133 -40.960 -76.329 1.00 64.35 N ATOM 779 CA ASN A 53 42.510 -40.803 -77.638 1.00 72.55 C ATOM 780 C ASN A 53 43.400 -39.987 -78.571 1.00 32.03 C ATOM 781 O ASN A 53 43.772 -38.856 -78.257 1.00 62.24 O ATOM 782 CB ASN A 53 41.144 -40.128 -77.498 1.00 70.42 C ATOM 783 CG ASN A 53 40.660 -39.526 -78.803 1.00 41.11 C ATOM 784 OD1 ASN A 53 40.632 -38.306 -78.963 1.00 51.45 O ATOM 785 ND2 ASN A 53 40.276 -40.382 -79.743 1.00 41.42 N ATOM 0 H ASN A 53 43.187 -40.101 -75.782 1.00 64.35 H new ATOM 0 HA ASN A 53 42.375 -41.795 -78.070 1.00 72.55 H new ATOM 0 HB2 ASN A 53 40.415 -40.858 -77.146 1.00 70.42 H new ATOM 0 HB3 ASN A 53 41.204 -39.346 -76.741 1.00 70.42 H new ATOM 0 HD21 ASN A 53 39.941 -40.036 -80.642 1.00 41.42 H new ATOM 0 HD22 ASN A 53 40.316 -41.386 -79.566 1.00 41.42 H new ATOM 792 N ASP A 54 43.736 -40.568 -79.717 1.00 43.21 N ATOM 793 CA ASP A 54 44.581 -39.894 -80.696 1.00 61.04 C ATOM 794 C ASP A 54 43.831 -39.683 -82.008 1.00 32.32 C ATOM 795 O ASP A 54 44.401 -39.821 -83.090 1.00 3.21 O ATOM 796 CB ASP A 54 45.854 -40.704 -80.947 1.00 72.41 C ATOM 797 CG ASP A 54 47.047 -40.159 -80.187 1.00 14.22 C ATOM 798 OD1 ASP A 54 46.835 -39.458 -79.176 1.00 11.43 O ATOM 799 OD2 ASP A 54 48.192 -40.432 -80.603 1.00 71.55 O ATOM 0 H ASP A 54 43.436 -41.504 -79.991 1.00 43.21 H new ATOM 0 HA ASP A 54 44.854 -38.919 -80.293 1.00 61.04 H new ATOM 0 HB2 ASP A 54 45.685 -41.741 -80.656 1.00 72.41 H new ATOM 0 HB3 ASP A 54 46.076 -40.704 -82.014 1.00 72.41 H new ATOM 804 N SER A 55 42.548 -39.350 -81.903 1.00 44.11 N ATOM 805 CA SER A 55 41.718 -39.125 -83.081 1.00 23.03 C ATOM 806 C SER A 55 42.437 -38.235 -84.090 1.00 0.31 C ATOM 807 O SER A 55 43.286 -37.422 -83.724 1.00 5.32 O ATOM 808 CB SER A 55 40.387 -38.488 -82.678 1.00 41.43 C ATOM 809 OG SER A 55 39.817 -37.771 -83.760 1.00 4.43 O ATOM 0 H SER A 55 42.061 -39.230 -81.015 1.00 44.11 H new ATOM 0 HA SER A 55 41.524 -40.090 -83.549 1.00 23.03 H new ATOM 0 HB2 SER A 55 39.695 -39.262 -82.346 1.00 41.43 H new ATOM 0 HB3 SER A 55 40.542 -37.816 -81.834 1.00 41.43 H new ATOM 0 HG SER A 55 38.966 -37.375 -83.478 1.00 4.43 H new ATOM 815 N HIS A 56 42.090 -38.394 -85.363 1.00 60.41 N ATOM 816 CA HIS A 56 42.701 -37.605 -86.427 1.00 31.12 C ATOM 817 C HIS A 56 41.716 -37.380 -87.570 1.00 63.13 C ATOM 818 O HIS A 56 40.720 -38.093 -87.696 1.00 3.03 O ATOM 819 CB HIS A 56 43.958 -38.301 -86.950 1.00 35.51 C ATOM 820 CG HIS A 56 44.820 -37.421 -87.800 1.00 45.31 C ATOM 821 ND1 HIS A 56 45.686 -36.484 -87.277 1.00 4.15 N ATOM 822 CD2 HIS A 56 44.949 -37.339 -89.145 1.00 73.11 C ATOM 823 CE1 HIS A 56 46.309 -35.863 -88.263 1.00 34.13 C ATOM 824 NE2 HIS A 56 45.879 -36.364 -89.407 1.00 43.20 N ATOM 0 H HIS A 56 41.389 -39.062 -85.683 1.00 60.41 H new ATOM 0 HA HIS A 56 42.978 -36.635 -86.013 1.00 31.12 H new ATOM 0 HB2 HIS A 56 44.543 -38.660 -86.103 1.00 35.51 H new ATOM 0 HB3 HIS A 56 43.664 -39.176 -87.529 1.00 35.51 H new ATOM 0 HD2 HIS A 56 44.419 -37.931 -89.876 1.00 73.11 H new ATOM 0 HE1 HIS A 56 47.044 -35.080 -88.152 1.00 34.13 H new ATOM 0 HE2 HIS A 56 46.188 -36.073 -90.335 1.00 43.20 H new ATOM 1069 N THR A 75 44.826 -48.227 -85.135 1.00 11.33 N ATOM 1070 CA THR A 75 44.071 -47.728 -83.992 1.00 24.53 C ATOM 1071 C THR A 75 44.670 -46.431 -83.462 1.00 13.55 C ATOM 1072 O THR A 75 45.550 -45.839 -84.088 1.00 30.51 O ATOM 1073 CB THR A 75 44.029 -48.764 -82.852 1.00 53.11 C ATOM 1074 OG1 THR A 75 45.243 -48.710 -82.096 1.00 24.33 O ATOM 1075 CG2 THR A 75 43.830 -50.168 -83.404 1.00 4.34 C ATOM 0 HA THR A 75 43.056 -47.540 -84.341 1.00 24.53 H new ATOM 0 HB THR A 75 43.187 -48.524 -82.203 1.00 53.11 H new ATOM 0 HG1 THR A 75 45.607 -49.614 -81.997 1.00 24.33 H new ATOM 0 HG21 THR A 75 43.804 -50.882 -82.581 1.00 4.34 H new ATOM 0 HG22 THR A 75 42.890 -50.213 -83.954 1.00 4.34 H new ATOM 0 HG23 THR A 75 44.654 -50.416 -84.073 1.00 4.34 H new ATOM 1083 N HIS A 76 44.187 -45.992 -82.303 1.00 43.42 N ATOM 1084 CA HIS A 76 44.676 -44.763 -81.688 1.00 3.12 C ATOM 1085 C HIS A 76 44.033 -44.546 -80.322 1.00 34.14 C ATOM 1086 O HIS A 76 44.618 -43.915 -79.441 1.00 52.34 O ATOM 1087 CB HIS A 76 44.392 -43.565 -82.594 1.00 73.14 C ATOM 1088 CG HIS A 76 42.931 -43.299 -82.795 1.00 24.30 C ATOM 1089 ND1 HIS A 76 42.112 -42.808 -81.800 1.00 63.43 N ATOM 1090 CD2 HIS A 76 42.144 -43.457 -83.885 1.00 23.22 C ATOM 1091 CE1 HIS A 76 40.884 -42.677 -82.269 1.00 61.50 C ATOM 1092 NE2 HIS A 76 40.877 -43.064 -83.532 1.00 32.10 N ATOM 0 H HIS A 76 43.458 -46.469 -81.772 1.00 43.42 H new ATOM 0 HA HIS A 76 45.753 -44.858 -81.552 1.00 3.12 H new ATOM 0 HB2 HIS A 76 44.859 -42.678 -82.166 1.00 73.14 H new ATOM 0 HB3 HIS A 76 44.859 -43.735 -83.564 1.00 73.14 H new ATOM 0 HD1 HIS A 76 42.408 -42.581 -80.851 1.00 63.43 H new ATOM 0 HD2 HIS A 76 42.455 -43.824 -84.852 1.00 23.22 H new ATOM 0 HE1 HIS A 76 40.031 -42.315 -81.714 1.00 61.50 H new ATOM 1100 N PHE A 77 42.825 -45.073 -80.152 1.00 35.03 N ATOM 1101 CA PHE A 77 42.101 -44.936 -78.893 1.00 55.44 C ATOM 1102 C PHE A 77 42.089 -46.254 -78.126 1.00 20.33 C ATOM 1103 O PHE A 77 41.823 -47.313 -78.694 1.00 72.41 O ATOM 1104 CB PHE A 77 40.666 -44.472 -79.154 1.00 10.41 C ATOM 1105 CG PHE A 77 39.767 -44.604 -77.958 1.00 75.44 C ATOM 1106 CD1 PHE A 77 39.814 -43.674 -76.932 1.00 71.45 C ATOM 1107 CD2 PHE A 77 38.874 -45.660 -77.860 1.00 51.33 C ATOM 1108 CE1 PHE A 77 38.987 -43.793 -75.831 1.00 63.40 C ATOM 1109 CE2 PHE A 77 38.045 -45.784 -76.762 1.00 13.44 C ATOM 1110 CZ PHE A 77 38.102 -44.850 -75.745 1.00 63.12 C ATOM 0 H PHE A 77 42.327 -45.599 -80.870 1.00 35.03 H new ATOM 0 HA PHE A 77 42.614 -44.188 -78.287 1.00 55.44 H new ATOM 0 HB2 PHE A 77 40.682 -43.430 -79.473 1.00 10.41 H new ATOM 0 HB3 PHE A 77 40.249 -45.052 -79.978 1.00 10.41 H new ATOM 0 HD1 PHE A 77 40.505 -42.846 -76.993 1.00 71.45 H new ATOM 0 HD2 PHE A 77 38.826 -46.394 -78.651 1.00 51.33 H new ATOM 0 HE1 PHE A 77 39.033 -43.060 -75.039 1.00 63.40 H new ATOM 0 HE2 PHE A 77 37.353 -46.610 -76.698 1.00 13.44 H new ATOM 0 HZ PHE A 77 37.456 -44.946 -74.885 1.00 63.12 H new ATOM 1120 N ARG A 78 42.380 -46.181 -76.831 1.00 42.11 N ATOM 1121 CA ARG A 78 42.405 -47.368 -75.985 1.00 64.02 C ATOM 1122 C ARG A 78 42.000 -47.025 -74.555 1.00 2.04 C ATOM 1123 O ARG A 78 42.326 -45.952 -74.046 1.00 43.50 O ATOM 1124 CB ARG A 78 43.800 -47.998 -75.995 1.00 14.44 C ATOM 1125 CG ARG A 78 44.727 -47.439 -74.928 1.00 23.10 C ATOM 1126 CD ARG A 78 46.179 -47.474 -75.378 1.00 63.45 C ATOM 1127 NE ARG A 78 46.816 -48.753 -75.074 1.00 72.24 N ATOM 1128 CZ ARG A 78 48.098 -49.009 -75.307 1.00 23.41 C ATOM 1129 NH1 ARG A 78 48.877 -48.080 -75.843 1.00 10.33 N ATOM 1130 NH2 ARG A 78 48.604 -50.198 -75.003 1.00 5.44 N ATOM 0 H ARG A 78 42.602 -45.312 -76.345 1.00 42.11 H new ATOM 0 HA ARG A 78 41.687 -48.084 -76.385 1.00 64.02 H new ATOM 0 HB2 ARG A 78 43.704 -49.075 -75.854 1.00 14.44 H new ATOM 0 HB3 ARG A 78 44.252 -47.844 -76.975 1.00 14.44 H new ATOM 0 HG2 ARG A 78 44.441 -46.413 -74.697 1.00 23.10 H new ATOM 0 HG3 ARG A 78 44.616 -48.015 -74.009 1.00 23.10 H new ATOM 0 HD2 ARG A 78 46.230 -47.289 -76.451 1.00 63.45 H new ATOM 0 HD3 ARG A 78 46.729 -46.670 -74.890 1.00 63.45 H new ATOM 0 HE ARG A 78 46.245 -49.490 -74.660 1.00 72.24 H new ATOM 0 HH11 ARG A 78 48.492 -47.165 -76.078 1.00 10.33 H new ATOM 0 HH12 ARG A 78 49.861 -48.280 -76.021 1.00 10.33 H new ATOM 0 HH21 ARG A 78 48.008 -50.915 -74.590 1.00 5.44 H new ATOM 0 HH22 ARG A 78 49.589 -50.394 -75.182 1.00 5.44 H new ATOM 1144 N LEU A 79 41.287 -47.943 -73.911 1.00 45.20 N ATOM 1145 CA LEU A 79 40.837 -47.738 -72.539 1.00 12.12 C ATOM 1146 C LEU A 79 41.147 -48.957 -71.676 1.00 2.21 C ATOM 1147 O LEU A 79 40.657 -50.055 -71.938 1.00 2.24 O ATOM 1148 CB LEU A 79 39.335 -47.449 -72.512 1.00 71.11 C ATOM 1149 CG LEU A 79 38.753 -47.043 -71.158 1.00 5.44 C ATOM 1150 CD1 LEU A 79 38.528 -48.267 -70.284 1.00 72.13 C ATOM 1151 CD2 LEU A 79 39.671 -46.049 -70.460 1.00 22.43 C ATOM 0 H LEU A 79 41.008 -48.836 -74.317 1.00 45.20 H new ATOM 0 HA LEU A 79 41.373 -46.881 -72.131 1.00 12.12 H new ATOM 0 HB2 LEU A 79 39.126 -46.654 -73.228 1.00 71.11 H new ATOM 0 HB3 LEU A 79 38.808 -48.338 -72.859 1.00 71.11 H new ATOM 0 HG LEU A 79 37.790 -46.562 -71.328 1.00 5.44 H new ATOM 0 HD11 LEU A 79 38.113 -47.958 -69.325 1.00 72.13 H new ATOM 0 HD12 LEU A 79 37.832 -48.944 -70.779 1.00 72.13 H new ATOM 0 HD13 LEU A 79 39.477 -48.777 -70.121 1.00 72.13 H new ATOM 0 HD21 LEU A 79 39.241 -45.771 -69.498 1.00 22.43 H new ATOM 0 HD22 LEU A 79 40.649 -46.505 -70.303 1.00 22.43 H new ATOM 0 HD23 LEU A 79 39.781 -45.159 -71.079 1.00 22.43 H new ATOM 1163 N GLU A 80 41.963 -48.754 -70.646 1.00 35.14 N ATOM 1164 CA GLU A 80 42.336 -49.837 -69.744 1.00 25.23 C ATOM 1165 C GLU A 80 42.202 -49.403 -68.287 1.00 32.10 C ATOM 1166 O GLU A 80 42.493 -48.259 -67.939 1.00 4.21 O ATOM 1167 CB GLU A 80 43.771 -50.290 -70.022 1.00 4.22 C ATOM 1168 CG GLU A 80 44.787 -49.161 -69.970 1.00 13.45 C ATOM 1169 CD GLU A 80 45.693 -49.247 -68.757 1.00 10.42 C ATOM 1170 OE1 GLU A 80 45.192 -49.058 -67.628 1.00 62.22 O ATOM 1171 OE2 GLU A 80 46.902 -49.502 -68.936 1.00 1.22 O ATOM 0 H GLU A 80 42.378 -47.851 -70.416 1.00 35.14 H new ATOM 0 HA GLU A 80 41.658 -50.672 -69.920 1.00 25.23 H new ATOM 0 HB2 GLU A 80 44.050 -51.052 -69.294 1.00 4.22 H new ATOM 0 HB3 GLU A 80 43.811 -50.758 -71.005 1.00 4.22 H new ATOM 0 HG2 GLU A 80 45.394 -49.182 -70.875 1.00 13.45 H new ATOM 0 HG3 GLU A 80 44.263 -48.205 -69.960 1.00 13.45 H new ATOM 1178 N VAL A 81 41.757 -50.325 -67.439 1.00 60.54 N ATOM 1179 CA VAL A 81 41.584 -50.040 -66.020 1.00 54.42 C ATOM 1180 C VAL A 81 42.271 -51.093 -65.159 1.00 61.44 C ATOM 1181 O VAL A 81 42.193 -52.290 -65.441 1.00 41.33 O ATOM 1182 CB VAL A 81 40.093 -49.974 -65.639 1.00 53.10 C ATOM 1183 CG1 VAL A 81 39.319 -49.141 -66.650 1.00 21.40 C ATOM 1184 CG2 VAL A 81 39.509 -51.374 -65.531 1.00 33.42 C ATOM 0 H VAL A 81 41.510 -51.276 -67.711 1.00 60.54 H new ATOM 0 HA VAL A 81 42.043 -49.069 -65.835 1.00 54.42 H new ATOM 0 HB VAL A 81 40.006 -49.492 -64.665 1.00 53.10 H new ATOM 0 HG11 VAL A 81 38.268 -49.106 -66.364 1.00 21.40 H new ATOM 0 HG12 VAL A 81 39.723 -48.129 -66.673 1.00 21.40 H new ATOM 0 HG13 VAL A 81 39.411 -49.591 -67.639 1.00 21.40 H new ATOM 0 HG21 VAL A 81 38.455 -51.309 -65.261 1.00 33.42 H new ATOM 0 HG22 VAL A 81 39.607 -51.884 -66.489 1.00 33.42 H new ATOM 0 HG23 VAL A 81 40.046 -51.934 -64.765 1.00 33.42 H new ATOM 1194 N THR A 82 42.945 -50.642 -64.106 1.00 42.33 N ATOM 1195 CA THR A 82 43.648 -51.545 -63.204 1.00 14.14 C ATOM 1196 C THR A 82 43.119 -51.420 -61.779 1.00 74.04 C ATOM 1197 O THR A 82 43.280 -50.383 -61.136 1.00 21.32 O ATOM 1198 CB THR A 82 45.163 -51.271 -63.202 1.00 24.11 C ATOM 1199 OG1 THR A 82 45.653 -51.217 -64.547 1.00 31.15 O ATOM 1200 CG2 THR A 82 45.907 -52.350 -62.429 1.00 43.30 C ATOM 0 H THR A 82 43.019 -49.656 -63.857 1.00 42.33 H new ATOM 0 HA THR A 82 43.470 -52.557 -63.568 1.00 14.14 H new ATOM 0 HB THR A 82 45.336 -50.312 -62.714 1.00 24.11 H new ATOM 0 HG1 THR A 82 46.617 -51.041 -64.537 1.00 31.15 H new ATOM 0 HG21 THR A 82 46.976 -52.135 -62.441 1.00 43.30 H new ATOM 0 HG22 THR A 82 45.553 -52.369 -61.398 1.00 43.30 H new ATOM 0 HG23 THR A 82 45.727 -53.320 -62.893 1.00 43.30 H new ATOM 1208 N SER A 83 42.487 -52.483 -61.292 1.00 73.23 N ATOM 1209 CA SER A 83 41.931 -52.491 -59.944 1.00 50.02 C ATOM 1210 C SER A 83 42.708 -53.445 -59.042 1.00 12.11 C ATOM 1211 O SER A 83 42.604 -54.665 -59.174 1.00 43.40 O ATOM 1212 CB SER A 83 40.455 -52.893 -59.980 1.00 63.14 C ATOM 1213 OG SER A 83 39.973 -52.942 -61.312 1.00 34.02 O ATOM 0 H SER A 83 42.347 -53.350 -61.811 1.00 73.23 H new ATOM 0 HA SER A 83 42.015 -51.483 -59.537 1.00 50.02 H new ATOM 0 HB2 SER A 83 40.328 -53.867 -59.508 1.00 63.14 H new ATOM 0 HB3 SER A 83 39.866 -52.180 -59.403 1.00 63.14 H new ATOM 0 HG SER A 83 38.998 -53.044 -61.304 1.00 34.02 H new ATOM 1219 N ASP A 84 43.486 -52.880 -58.125 1.00 73.11 N ATOM 1220 CA ASP A 84 44.280 -53.679 -57.199 1.00 42.02 C ATOM 1221 C ASP A 84 45.407 -54.401 -57.932 1.00 55.35 C ATOM 1222 O ASP A 84 46.116 -55.219 -57.349 1.00 31.44 O ATOM 1223 CB ASP A 84 43.393 -54.694 -56.477 1.00 11.34 C ATOM 1224 CG ASP A 84 43.297 -54.423 -54.988 1.00 5.10 C ATOM 1225 OD1 ASP A 84 44.238 -54.796 -54.255 1.00 74.22 O ATOM 1226 OD2 ASP A 84 42.283 -53.837 -54.556 1.00 2.22 O ATOM 0 H ASP A 84 43.584 -51.872 -58.003 1.00 73.11 H new ATOM 0 HA ASP A 84 44.721 -53.006 -56.464 1.00 42.02 H new ATOM 0 HB2 ASP A 84 42.394 -54.674 -56.912 1.00 11.34 H new ATOM 0 HB3 ASP A 84 43.790 -55.697 -56.636 1.00 11.34 H new ATOM 1231 N ALA A 85 45.564 -54.092 -59.215 1.00 53.15 N ATOM 1232 CA ALA A 85 46.604 -54.710 -60.028 1.00 71.11 C ATOM 1233 C ALA A 85 46.666 -56.215 -59.789 1.00 13.10 C ATOM 1234 O ALA A 85 47.493 -56.697 -59.015 1.00 33.12 O ATOM 1235 CB ALA A 85 47.953 -54.071 -59.734 1.00 21.20 C ATOM 0 H ALA A 85 44.984 -53.417 -59.714 1.00 53.15 H new ATOM 0 HA ALA A 85 46.357 -54.545 -61.077 1.00 71.11 H new ATOM 0 HB1 ALA A 85 48.720 -54.542 -60.348 1.00 21.20 H new ATOM 0 HB2 ALA A 85 47.909 -53.006 -59.962 1.00 21.20 H new ATOM 0 HB3 ALA A 85 48.198 -54.206 -58.680 1.00 21.20 H new ATOM 1241 N PHE A 86 45.785 -56.952 -60.458 1.00 23.23 N ATOM 1242 CA PHE A 86 45.739 -58.403 -60.316 1.00 52.13 C ATOM 1243 C PHE A 86 44.638 -58.999 -61.188 1.00 72.33 C ATOM 1244 O PHE A 86 43.546 -59.306 -60.708 1.00 5.13 O ATOM 1245 CB PHE A 86 45.510 -58.787 -58.853 1.00 2.21 C ATOM 1246 CG PHE A 86 46.729 -59.355 -58.185 1.00 24.32 C ATOM 1247 CD1 PHE A 86 47.393 -60.441 -58.733 1.00 44.31 C ATOM 1248 CD2 PHE A 86 47.211 -58.805 -57.008 1.00 41.42 C ATOM 1249 CE1 PHE A 86 48.516 -60.966 -58.121 1.00 71.11 C ATOM 1250 CE2 PHE A 86 48.333 -59.325 -56.392 1.00 22.40 C ATOM 1251 CZ PHE A 86 48.986 -60.408 -56.948 1.00 73.24 C ATOM 0 H PHE A 86 45.094 -56.569 -61.103 1.00 23.23 H new ATOM 0 HA PHE A 86 46.697 -58.806 -60.644 1.00 52.13 H new ATOM 0 HB2 PHE A 86 45.180 -57.906 -58.302 1.00 2.21 H new ATOM 0 HB3 PHE A 86 44.703 -59.517 -58.799 1.00 2.21 H new ATOM 0 HD1 PHE A 86 47.029 -60.882 -59.649 1.00 44.31 H new ATOM 0 HD2 PHE A 86 46.704 -57.960 -56.567 1.00 41.42 H new ATOM 0 HE1 PHE A 86 49.025 -61.811 -58.560 1.00 71.11 H new ATOM 0 HE2 PHE A 86 48.699 -58.885 -55.476 1.00 22.40 H new ATOM 0 HZ PHE A 86 49.862 -60.817 -56.467 1.00 73.24 H new ATOM 1261 N LYS A 87 44.932 -59.161 -62.474 1.00 11.31 N ATOM 1262 CA LYS A 87 43.969 -59.721 -63.415 1.00 43.31 C ATOM 1263 C LYS A 87 43.465 -61.078 -62.934 1.00 55.54 C ATOM 1264 O LYS A 87 44.252 -61.950 -62.571 1.00 33.22 O ATOM 1265 CB LYS A 87 44.603 -59.862 -64.801 1.00 31.21 C ATOM 1266 CG LYS A 87 43.895 -60.867 -65.694 1.00 1.43 C ATOM 1267 CD LYS A 87 44.512 -62.250 -65.575 1.00 33.35 C ATOM 1268 CE LYS A 87 45.394 -62.572 -66.771 1.00 23.13 C ATOM 1269 NZ LYS A 87 46.580 -63.385 -66.382 1.00 71.24 N ATOM 0 H LYS A 87 45.830 -58.912 -62.888 1.00 11.31 H new ATOM 0 HA LYS A 87 43.121 -59.040 -63.478 1.00 43.31 H new ATOM 0 HB2 LYS A 87 44.603 -58.889 -65.292 1.00 31.21 H new ATOM 0 HB3 LYS A 87 45.645 -60.161 -64.686 1.00 31.21 H new ATOM 0 HG2 LYS A 87 42.840 -60.914 -65.425 1.00 1.43 H new ATOM 0 HG3 LYS A 87 43.945 -60.533 -66.730 1.00 1.43 H new ATOM 0 HD2 LYS A 87 45.102 -62.309 -64.660 1.00 33.35 H new ATOM 0 HD3 LYS A 87 43.722 -62.996 -65.493 1.00 33.35 H new ATOM 0 HE2 LYS A 87 44.812 -63.113 -67.517 1.00 23.13 H new ATOM 0 HE3 LYS A 87 45.726 -61.645 -67.237 1.00 23.13 H new ATOM 0 HZ1 LYS A 87 47.156 -63.584 -67.225 1.00 71.24 H new ATOM 0 HZ2 LYS A 87 47.150 -62.859 -65.689 1.00 71.24 H new ATOM 0 HZ3 LYS A 87 46.263 -64.281 -65.960 1.00 71.24 H new ATOM 1283 N GLY A 88 42.146 -61.248 -62.937 1.00 32.31 N ATOM 1284 CA GLY A 88 41.559 -62.502 -62.500 1.00 44.13 C ATOM 1285 C GLY A 88 40.226 -62.781 -63.166 1.00 24.23 C ATOM 1286 O GLY A 88 40.078 -63.770 -63.885 1.00 30.45 O ATOM 0 H GLY A 88 41.474 -60.540 -63.234 1.00 32.31 H new ATOM 0 HA2 GLY A 88 42.248 -63.318 -62.718 1.00 44.13 H new ATOM 0 HA3 GLY A 88 41.424 -62.479 -61.419 1.00 44.13 H new ATOM 1290 N LEU A 89 39.253 -61.910 -62.926 1.00 1.44 N ATOM 1291 CA LEU A 89 37.924 -62.068 -63.506 1.00 0.11 C ATOM 1292 C LEU A 89 37.884 -61.525 -64.931 1.00 13.13 C ATOM 1293 O LEU A 89 38.732 -60.725 -65.327 1.00 25.32 O ATOM 1294 CB LEU A 89 36.882 -61.352 -62.645 1.00 53.33 C ATOM 1295 CG LEU A 89 36.594 -61.978 -61.280 1.00 52.52 C ATOM 1296 CD1 LEU A 89 36.320 -60.898 -60.245 1.00 10.41 C ATOM 1297 CD2 LEU A 89 35.419 -62.941 -61.372 1.00 43.21 C ATOM 0 H LEU A 89 39.359 -61.087 -62.334 1.00 1.44 H new ATOM 0 HA LEU A 89 37.691 -63.132 -63.536 1.00 0.11 H new ATOM 0 HB2 LEU A 89 37.213 -60.325 -62.489 1.00 53.33 H new ATOM 0 HB3 LEU A 89 35.948 -61.305 -63.205 1.00 53.33 H new ATOM 0 HG LEU A 89 37.474 -62.539 -60.966 1.00 52.52 H new ATOM 0 HD11 LEU A 89 36.117 -61.362 -59.280 1.00 10.41 H new ATOM 0 HD12 LEU A 89 37.190 -60.247 -60.159 1.00 10.41 H new ATOM 0 HD13 LEU A 89 35.456 -60.309 -60.553 1.00 10.41 H new ATOM 0 HD21 LEU A 89 35.228 -63.377 -60.391 1.00 43.21 H new ATOM 0 HD22 LEU A 89 34.533 -62.403 -61.708 1.00 43.21 H new ATOM 0 HD23 LEU A 89 35.653 -63.734 -62.082 1.00 43.21 H new ATOM 1309 N THR A 90 36.890 -61.963 -65.698 1.00 0.13 N ATOM 1310 CA THR A 90 36.738 -61.520 -67.078 1.00 32.51 C ATOM 1311 C THR A 90 36.902 -60.009 -67.192 1.00 73.22 C ATOM 1312 O THR A 90 36.247 -59.248 -66.479 1.00 53.32 O ATOM 1313 CB THR A 90 35.364 -61.921 -67.648 1.00 10.10 C ATOM 1314 OG1 THR A 90 35.286 -61.567 -69.033 1.00 65.44 O ATOM 1315 CG2 THR A 90 34.241 -61.239 -66.882 1.00 35.03 C ATOM 0 H THR A 90 36.178 -62.624 -65.386 1.00 0.13 H new ATOM 0 HA THR A 90 37.521 -62.012 -67.656 1.00 32.51 H new ATOM 0 HB THR A 90 35.252 -63.000 -67.542 1.00 10.10 H new ATOM 0 HG1 THR A 90 34.646 -62.155 -69.485 1.00 65.44 H new ATOM 0 HG21 THR A 90 33.281 -61.537 -67.302 1.00 35.03 H new ATOM 0 HG22 THR A 90 34.285 -61.533 -65.833 1.00 35.03 H new ATOM 0 HG23 THR A 90 34.351 -60.157 -66.961 1.00 35.03 H new ATOM 1323 N LEU A 91 37.779 -59.581 -68.093 1.00 52.41 N ATOM 1324 CA LEU A 91 38.028 -58.158 -68.302 1.00 24.45 C ATOM 1325 C LEU A 91 36.846 -57.495 -69.000 1.00 13.45 C ATOM 1326 O LEU A 91 36.544 -56.326 -68.756 1.00 72.14 O ATOM 1327 CB LEU A 91 39.300 -57.959 -69.128 1.00 22.51 C ATOM 1328 CG LEU A 91 39.158 -58.159 -70.637 1.00 60.12 C ATOM 1329 CD1 LEU A 91 40.351 -57.565 -71.369 1.00 25.10 C ATOM 1330 CD2 LEU A 91 39.009 -59.637 -70.968 1.00 31.00 C ATOM 0 H LEU A 91 38.329 -60.198 -68.690 1.00 52.41 H new ATOM 0 HA LEU A 91 38.159 -57.690 -67.326 1.00 24.45 H new ATOM 0 HB2 LEU A 91 39.672 -56.950 -68.949 1.00 22.51 H new ATOM 0 HB3 LEU A 91 40.060 -58.649 -68.760 1.00 22.51 H new ATOM 0 HG LEU A 91 38.259 -57.640 -70.969 1.00 60.12 H new ATOM 0 HD11 LEU A 91 40.232 -57.717 -72.442 1.00 25.10 H new ATOM 0 HD12 LEU A 91 40.412 -56.497 -71.158 1.00 25.10 H new ATOM 0 HD13 LEU A 91 41.265 -58.054 -71.032 1.00 25.10 H new ATOM 0 HD21 LEU A 91 38.909 -59.760 -72.046 1.00 31.00 H new ATOM 0 HD22 LEU A 91 39.889 -60.178 -70.621 1.00 31.00 H new ATOM 0 HD23 LEU A 91 38.122 -60.033 -70.474 1.00 31.00 H new ATOM 1342 N VAL A 92 36.178 -58.249 -69.867 1.00 12.50 N ATOM 1343 CA VAL A 92 35.026 -57.735 -70.598 1.00 13.30 C ATOM 1344 C VAL A 92 33.952 -57.226 -69.643 1.00 54.54 C ATOM 1345 O VAL A 92 33.110 -56.408 -70.017 1.00 1.04 O ATOM 1346 CB VAL A 92 34.415 -58.813 -71.513 1.00 12.14 C ATOM 1347 CG1 VAL A 92 35.494 -59.469 -72.360 1.00 25.25 C ATOM 1348 CG2 VAL A 92 33.669 -59.851 -70.687 1.00 54.55 C ATOM 0 H VAL A 92 36.415 -59.218 -70.080 1.00 12.50 H new ATOM 0 HA VAL A 92 35.384 -56.908 -71.212 1.00 13.30 H new ATOM 0 HB VAL A 92 33.702 -58.334 -72.184 1.00 12.14 H new ATOM 0 HG11 VAL A 92 35.043 -60.228 -73.000 1.00 25.25 H new ATOM 0 HG12 VAL A 92 35.980 -58.714 -72.979 1.00 25.25 H new ATOM 0 HG13 VAL A 92 36.234 -59.936 -71.709 1.00 25.25 H new ATOM 0 HG21 VAL A 92 33.243 -60.605 -71.349 1.00 54.55 H new ATOM 0 HG22 VAL A 92 34.360 -60.327 -69.991 1.00 54.55 H new ATOM 0 HG23 VAL A 92 32.869 -59.365 -70.129 1.00 54.55 H new ATOM 1358 N LYS A 93 33.986 -57.714 -68.408 1.00 41.11 N ATOM 1359 CA LYS A 93 33.017 -57.308 -67.397 1.00 41.11 C ATOM 1360 C LYS A 93 33.200 -55.840 -67.027 1.00 12.51 C ATOM 1361 O LYS A 93 32.238 -55.072 -67.001 1.00 14.04 O ATOM 1362 CB LYS A 93 33.156 -58.181 -66.148 1.00 5.11 C ATOM 1363 CG LYS A 93 32.418 -57.635 -64.939 1.00 14.35 C ATOM 1364 CD LYS A 93 33.379 -57.083 -63.900 1.00 4.41 C ATOM 1365 CE LYS A 93 33.398 -57.942 -62.645 1.00 13.52 C ATOM 1366 NZ LYS A 93 32.308 -57.568 -61.701 1.00 72.12 N ATOM 0 H LYS A 93 34.675 -58.392 -68.083 1.00 41.11 H new ATOM 0 HA LYS A 93 32.018 -57.438 -67.814 1.00 41.11 H new ATOM 0 HB2 LYS A 93 32.782 -59.181 -66.370 1.00 5.11 H new ATOM 0 HB3 LYS A 93 34.213 -58.283 -65.902 1.00 5.11 H new ATOM 0 HG2 LYS A 93 31.732 -56.849 -65.255 1.00 14.35 H new ATOM 0 HG3 LYS A 93 31.814 -58.425 -64.493 1.00 14.35 H new ATOM 0 HD2 LYS A 93 34.383 -57.032 -64.322 1.00 4.41 H new ATOM 0 HD3 LYS A 93 33.090 -56.065 -63.641 1.00 4.41 H new ATOM 0 HE2 LYS A 93 33.295 -58.991 -62.921 1.00 13.52 H new ATOM 0 HE3 LYS A 93 34.362 -57.837 -62.147 1.00 13.52 H new ATOM 0 HZ1 LYS A 93 32.355 -58.176 -60.858 1.00 72.12 H new ATOM 0 HZ2 LYS A 93 32.420 -56.574 -61.417 1.00 72.12 H new ATOM 0 HZ3 LYS A 93 31.387 -57.693 -62.167 1.00 72.12 H new ATOM 1380 N ARG A 94 34.440 -55.455 -66.743 1.00 21.40 N ATOM 1381 CA ARG A 94 34.748 -54.079 -66.375 1.00 2.22 C ATOM 1382 C ARG A 94 34.528 -53.138 -67.556 1.00 14.15 C ATOM 1383 O ARG A 94 33.881 -52.099 -67.422 1.00 54.44 O ATOM 1384 CB ARG A 94 36.194 -53.971 -65.886 1.00 14.43 C ATOM 1385 CG ARG A 94 36.437 -52.788 -64.962 1.00 62.12 C ATOM 1386 CD ARG A 94 35.616 -52.899 -63.687 1.00 3.10 C ATOM 1387 NE ARG A 94 34.524 -51.930 -63.653 1.00 41.12 N ATOM 1388 CZ ARG A 94 34.681 -50.657 -63.308 1.00 4.04 C ATOM 1389 NH1 ARG A 94 35.880 -50.202 -62.968 1.00 54.13 N ATOM 1390 NH2 ARG A 94 33.639 -49.836 -63.301 1.00 72.23 N ATOM 0 H ARG A 94 35.248 -56.077 -66.761 1.00 21.40 H new ATOM 0 HA ARG A 94 34.076 -53.786 -65.569 1.00 2.22 H new ATOM 0 HB2 ARG A 94 36.462 -54.890 -65.364 1.00 14.43 H new ATOM 0 HB3 ARG A 94 36.855 -53.890 -66.749 1.00 14.43 H new ATOM 0 HG2 ARG A 94 37.496 -52.733 -64.710 1.00 62.12 H new ATOM 0 HG3 ARG A 94 36.184 -51.863 -65.480 1.00 62.12 H new ATOM 0 HD2 ARG A 94 35.209 -53.907 -63.605 1.00 3.10 H new ATOM 0 HD3 ARG A 94 36.264 -52.745 -62.824 1.00 3.10 H new ATOM 0 HE ARG A 94 33.589 -52.248 -63.908 1.00 41.12 H new ATOM 0 HH11 ARG A 94 36.684 -50.830 -62.971 1.00 54.13 H new ATOM 0 HH12 ARG A 94 35.998 -49.224 -62.703 1.00 54.13 H new ATOM 0 HH21 ARG A 94 32.715 -50.182 -63.561 1.00 72.23 H new ATOM 0 HH22 ARG A 94 33.761 -48.859 -63.036 1.00 72.23 H new ATOM 1404 N HIS A 95 35.070 -53.509 -68.711 1.00 23.01 N ATOM 1405 CA HIS A 95 34.933 -52.698 -69.916 1.00 31.25 C ATOM 1406 C HIS A 95 33.465 -52.548 -70.304 1.00 43.45 C ATOM 1407 O HIS A 95 33.069 -51.539 -70.889 1.00 25.34 O ATOM 1408 CB HIS A 95 35.717 -53.324 -71.069 1.00 74.44 C ATOM 1409 CG HIS A 95 34.852 -53.771 -72.208 1.00 41.31 C ATOM 1410 ND1 HIS A 95 34.078 -54.911 -72.163 1.00 40.14 N ATOM 1411 CD2 HIS A 95 34.641 -53.222 -73.427 1.00 52.32 C ATOM 1412 CE1 HIS A 95 33.429 -55.045 -73.306 1.00 63.14 C ATOM 1413 NE2 HIS A 95 33.753 -54.033 -74.091 1.00 10.45 N ATOM 0 H HIS A 95 35.608 -54.366 -68.839 1.00 23.01 H new ATOM 0 HA HIS A 95 35.339 -51.708 -69.707 1.00 31.25 H new ATOM 0 HB2 HIS A 95 36.444 -52.601 -71.438 1.00 74.44 H new ATOM 0 HB3 HIS A 95 36.280 -54.179 -70.693 1.00 74.44 H new ATOM 0 HD1 HIS A 95 34.016 -55.551 -71.371 1.00 40.14 H new ATOM 0 HD2 HIS A 95 35.088 -52.315 -73.807 1.00 52.32 H new ATOM 0 HE1 HIS A 95 32.749 -55.846 -73.556 1.00 63.14 H new ATOM 1421 N GLN A 96 32.665 -53.557 -69.977 1.00 13.30 N ATOM 1422 CA GLN A 96 31.242 -53.536 -70.294 1.00 14.11 C ATOM 1423 C GLN A 96 30.493 -52.577 -69.374 1.00 40.22 C ATOM 1424 O GLN A 96 29.662 -51.788 -69.826 1.00 50.13 O ATOM 1425 CB GLN A 96 30.650 -54.942 -70.174 1.00 44.43 C ATOM 1426 CG GLN A 96 29.138 -54.981 -70.327 1.00 44.24 C ATOM 1427 CD GLN A 96 28.676 -56.072 -71.273 1.00 54.51 C ATOM 1428 OE1 GLN A 96 28.688 -55.899 -72.492 1.00 44.32 O ATOM 1429 NE2 GLN A 96 28.264 -57.204 -70.715 1.00 14.20 N ATOM 0 H GLN A 96 32.977 -54.399 -69.493 1.00 13.30 H new ATOM 0 HA GLN A 96 31.130 -53.188 -71.321 1.00 14.11 H new ATOM 0 HB2 GLN A 96 31.100 -55.583 -70.932 1.00 44.43 H new ATOM 0 HB3 GLN A 96 30.919 -55.359 -69.204 1.00 44.43 H new ATOM 0 HG2 GLN A 96 28.681 -55.135 -69.349 1.00 44.24 H new ATOM 0 HG3 GLN A 96 28.788 -54.016 -70.693 1.00 44.24 H new ATOM 0 HE21 GLN A 96 28.271 -57.304 -69.700 1.00 14.20 H new ATOM 0 HE22 GLN A 96 27.941 -57.973 -71.301 1.00 14.20 H new ATOM 1438 N LEU A 97 30.792 -52.650 -68.082 1.00 1.30 N ATOM 1439 CA LEU A 97 30.147 -51.788 -67.098 1.00 1.35 C ATOM 1440 C LEU A 97 30.260 -50.321 -67.501 1.00 30.01 C ATOM 1441 O LEU A 97 29.266 -49.594 -67.520 1.00 21.31 O ATOM 1442 CB LEU A 97 30.773 -51.999 -65.718 1.00 1.32 C ATOM 1443 CG LEU A 97 30.466 -53.334 -65.038 1.00 52.44 C ATOM 1444 CD1 LEU A 97 31.488 -53.627 -63.951 1.00 12.20 C ATOM 1445 CD2 LEU A 97 29.058 -53.327 -64.462 1.00 13.13 C ATOM 0 H LEU A 97 31.477 -53.297 -67.691 1.00 1.30 H new ATOM 0 HA LEU A 97 29.091 -52.054 -67.056 1.00 1.35 H new ATOM 0 HB2 LEU A 97 31.855 -51.903 -65.813 1.00 1.32 H new ATOM 0 HB3 LEU A 97 30.438 -51.195 -65.063 1.00 1.32 H new ATOM 0 HG LEU A 97 30.527 -54.124 -65.787 1.00 52.44 H new ATOM 0 HD11 LEU A 97 31.253 -54.581 -63.478 1.00 12.20 H new ATOM 0 HD12 LEU A 97 32.484 -53.676 -64.391 1.00 12.20 H new ATOM 0 HD13 LEU A 97 31.461 -52.835 -63.203 1.00 12.20 H new ATOM 0 HD21 LEU A 97 28.857 -54.285 -63.982 1.00 13.13 H new ATOM 0 HD22 LEU A 97 28.970 -52.527 -63.727 1.00 13.13 H new ATOM 0 HD23 LEU A 97 28.338 -53.164 -65.264 1.00 13.13 H new ATOM 1457 N ILE A 98 31.476 -49.894 -67.824 1.00 52.43 N ATOM 1458 CA ILE A 98 31.717 -48.515 -68.231 1.00 3.24 C ATOM 1459 C ILE A 98 31.389 -48.311 -69.706 1.00 10.23 C ATOM 1460 O ILE A 98 31.079 -47.199 -70.136 1.00 22.44 O ATOM 1461 CB ILE A 98 33.180 -48.102 -67.980 1.00 13.11 C ATOM 1462 CG1 ILE A 98 34.131 -49.028 -68.740 1.00 44.22 C ATOM 1463 CG2 ILE A 98 33.488 -48.124 -66.490 1.00 43.33 C ATOM 1464 CD1 ILE A 98 35.593 -48.700 -68.527 1.00 55.51 C ATOM 0 H ILE A 98 32.309 -50.482 -67.812 1.00 52.43 H new ATOM 0 HA ILE A 98 31.062 -47.888 -67.626 1.00 3.24 H new ATOM 0 HB ILE A 98 33.324 -47.085 -68.346 1.00 13.11 H new ATOM 0 HG12 ILE A 98 33.949 -50.057 -68.429 1.00 44.22 H new ATOM 0 HG13 ILE A 98 33.906 -48.972 -69.805 1.00 44.22 H new ATOM 0 HG21 ILE A 98 34.525 -47.830 -66.328 1.00 43.33 H new ATOM 0 HG22 ILE A 98 32.829 -47.428 -65.972 1.00 43.33 H new ATOM 0 HG23 ILE A 98 33.331 -49.130 -66.101 1.00 43.33 H new ATOM 0 HD11 ILE A 98 36.209 -49.397 -69.096 1.00 55.51 H new ATOM 0 HD12 ILE A 98 35.790 -47.682 -68.864 1.00 55.51 H new ATOM 0 HD13 ILE A 98 35.834 -48.784 -67.467 1.00 55.51 H new ATOM 1476 N TYR A 99 31.457 -49.391 -70.476 1.00 2.11 N ATOM 1477 CA TYR A 99 31.168 -49.331 -71.904 1.00 12.13 C ATOM 1478 C TYR A 99 31.699 -48.037 -72.514 1.00 24.45 C ATOM 1479 O TYR A 99 31.021 -47.388 -73.308 1.00 42.41 O ATOM 1480 CB TYR A 99 29.661 -49.440 -72.145 1.00 63.21 C ATOM 1481 CG TYR A 99 28.846 -48.455 -71.339 1.00 12.05 C ATOM 1482 CD1 TYR A 99 28.551 -47.193 -71.839 1.00 44.34 C ATOM 1483 CD2 TYR A 99 28.371 -48.786 -70.076 1.00 14.34 C ATOM 1484 CE1 TYR A 99 27.807 -46.289 -71.106 1.00 3.11 C ATOM 1485 CE2 TYR A 99 27.625 -47.889 -69.336 1.00 15.13 C ATOM 1486 CZ TYR A 99 27.346 -46.642 -69.855 1.00 13.20 C ATOM 1487 OH TYR A 99 26.604 -45.745 -69.120 1.00 61.15 O ATOM 0 H TYR A 99 31.710 -50.319 -70.135 1.00 2.11 H new ATOM 0 HA TYR A 99 31.669 -50.171 -72.386 1.00 12.13 H new ATOM 0 HB2 TYR A 99 29.459 -49.285 -73.205 1.00 63.21 H new ATOM 0 HB3 TYR A 99 29.335 -50.452 -71.903 1.00 63.21 H new ATOM 0 HD1 TYR A 99 28.910 -46.914 -72.819 1.00 44.34 H new ATOM 0 HD2 TYR A 99 28.589 -49.761 -69.666 1.00 14.34 H new ATOM 0 HE1 TYR A 99 27.588 -45.312 -71.510 1.00 3.11 H new ATOM 0 HE2 TYR A 99 27.262 -48.163 -68.356 1.00 15.13 H new ATOM 0 HH TYR A 99 26.356 -46.150 -68.263 1.00 61.15 H new ATOM 1497 N GLY A 100 32.920 -47.670 -72.135 1.00 30.10 N ATOM 1498 CA GLY A 100 33.524 -46.457 -72.654 1.00 13.45 C ATOM 1499 C GLY A 100 34.072 -46.635 -74.055 1.00 60.14 C ATOM 1500 O GLY A 100 34.199 -45.668 -74.808 1.00 64.51 O ATOM 0 H GLY A 100 33.501 -48.191 -71.478 1.00 30.10 H new ATOM 0 HA2 GLY A 100 32.783 -45.658 -72.656 1.00 13.45 H new ATOM 0 HA3 GLY A 100 34.329 -46.143 -71.990 1.00 13.45 H new ATOM 1504 N LEU A 101 34.399 -47.874 -74.408 1.00 2.54 N ATOM 1505 CA LEU A 101 34.939 -48.176 -75.729 1.00 10.13 C ATOM 1506 C LEU A 101 33.973 -47.737 -76.825 1.00 24.01 C ATOM 1507 O LEU A 101 32.768 -47.628 -76.598 1.00 73.01 O ATOM 1508 CB LEU A 101 35.224 -49.673 -75.854 1.00 63.52 C ATOM 1509 CG LEU A 101 36.586 -50.143 -75.341 1.00 42.40 C ATOM 1510 CD1 LEU A 101 36.592 -50.205 -73.822 1.00 13.35 C ATOM 1511 CD2 LEU A 101 36.941 -51.499 -75.933 1.00 41.43 C ATOM 0 H LEU A 101 34.299 -48.685 -73.798 1.00 2.54 H new ATOM 0 HA LEU A 101 35.871 -47.624 -75.849 1.00 10.13 H new ATOM 0 HB2 LEU A 101 34.448 -50.216 -75.315 1.00 63.52 H new ATOM 0 HB3 LEU A 101 35.138 -49.952 -76.904 1.00 63.52 H new ATOM 0 HG LEU A 101 37.340 -49.422 -75.658 1.00 42.40 H new ATOM 0 HD11 LEU A 101 37.569 -50.541 -73.475 1.00 13.35 H new ATOM 0 HD12 LEU A 101 36.384 -49.215 -73.417 1.00 13.35 H new ATOM 0 HD13 LEU A 101 35.827 -50.903 -73.483 1.00 13.35 H new ATOM 0 HD21 LEU A 101 37.913 -51.817 -75.557 1.00 41.43 H new ATOM 0 HD22 LEU A 101 36.184 -52.230 -75.648 1.00 41.43 H new ATOM 0 HD23 LEU A 101 36.980 -51.423 -77.020 1.00 41.43 H new ATOM 1523 N LEU A 102 34.510 -47.488 -78.014 1.00 65.42 N ATOM 1524 CA LEU A 102 33.696 -47.064 -79.148 1.00 3.53 C ATOM 1525 C LEU A 102 33.045 -45.712 -78.874 1.00 10.31 C ATOM 1526 O LEU A 102 32.092 -45.616 -78.100 1.00 45.41 O ATOM 1527 CB LEU A 102 32.621 -48.109 -79.449 1.00 11.13 C ATOM 1528 CG LEU A 102 32.452 -48.494 -80.919 1.00 14.41 C ATOM 1529 CD1 LEU A 102 32.252 -47.253 -81.776 1.00 22.03 C ATOM 1530 CD2 LEU A 102 33.654 -49.291 -81.403 1.00 53.04 C ATOM 0 H LEU A 102 35.506 -47.572 -78.218 1.00 65.42 H new ATOM 0 HA LEU A 102 34.349 -46.964 -80.015 1.00 3.53 H new ATOM 0 HB2 LEU A 102 32.851 -49.011 -78.882 1.00 11.13 H new ATOM 0 HB3 LEU A 102 31.666 -47.735 -79.080 1.00 11.13 H new ATOM 0 HG LEU A 102 31.565 -49.121 -81.011 1.00 14.41 H new ATOM 0 HD11 LEU A 102 32.134 -47.546 -82.819 1.00 22.03 H new ATOM 0 HD12 LEU A 102 31.360 -46.722 -81.445 1.00 22.03 H new ATOM 0 HD13 LEU A 102 33.119 -46.600 -81.679 1.00 22.03 H new ATOM 0 HD21 LEU A 102 33.516 -49.556 -82.451 1.00 53.04 H new ATOM 0 HD22 LEU A 102 34.556 -48.689 -81.297 1.00 53.04 H new ATOM 0 HD23 LEU A 102 33.752 -50.199 -80.808 1.00 53.04 H new ATOM 1542 N SER A 103 33.564 -44.670 -79.516 1.00 10.34 N ATOM 1543 CA SER A 103 33.034 -43.323 -79.340 1.00 41.42 C ATOM 1544 C SER A 103 33.800 -42.321 -80.200 1.00 20.44 C ATOM 1545 O SER A 103 33.303 -41.861 -81.228 1.00 24.50 O ATOM 1546 CB SER A 103 33.108 -42.910 -77.869 1.00 33.42 C ATOM 1547 OG SER A 103 31.872 -43.138 -77.213 1.00 42.40 O ATOM 0 H SER A 103 34.351 -44.733 -80.162 1.00 10.34 H new ATOM 0 HA SER A 103 31.991 -43.326 -79.657 1.00 41.42 H new ATOM 0 HB2 SER A 103 33.898 -43.471 -77.370 1.00 33.42 H new ATOM 0 HB3 SER A 103 33.373 -41.855 -77.797 1.00 33.42 H new ATOM 0 HG SER A 103 31.601 -44.071 -77.341 1.00 42.40 H new ATOM 1553 N ASP A 104 35.012 -41.988 -79.770 1.00 62.40 N ATOM 1554 CA ASP A 104 35.849 -41.043 -80.499 1.00 52.54 C ATOM 1555 C ASP A 104 36.484 -41.706 -81.717 1.00 42.04 C ATOM 1556 O ASP A 104 36.555 -41.112 -82.793 1.00 32.03 O ATOM 1557 CB ASP A 104 36.937 -40.480 -79.584 1.00 1.02 C ATOM 1558 CG ASP A 104 37.590 -39.237 -80.156 1.00 71.23 C ATOM 1559 OD1 ASP A 104 37.626 -39.104 -81.398 1.00 2.24 O ATOM 1560 OD2 ASP A 104 38.064 -38.397 -79.363 1.00 32.51 O ATOM 0 H ASP A 104 35.437 -42.359 -78.920 1.00 62.40 H new ATOM 0 HA ASP A 104 35.215 -40.225 -80.842 1.00 52.54 H new ATOM 0 HB2 ASP A 104 36.504 -40.244 -78.612 1.00 1.02 H new ATOM 0 HB3 ASP A 104 37.698 -41.243 -79.418 1.00 1.02 H new ATOM 1565 N GLU A 105 36.946 -42.940 -81.539 1.00 51.24 N ATOM 1566 CA GLU A 105 37.577 -43.682 -82.624 1.00 62.30 C ATOM 1567 C GLU A 105 36.666 -43.739 -83.847 1.00 44.41 C ATOM 1568 O GLU A 105 37.137 -43.789 -84.984 1.00 30.13 O ATOM 1569 CB GLU A 105 37.924 -45.101 -82.167 1.00 14.22 C ATOM 1570 CG GLU A 105 37.115 -46.180 -82.867 1.00 23.43 C ATOM 1571 CD GLU A 105 35.695 -46.276 -82.345 1.00 54.34 C ATOM 1572 OE1 GLU A 105 35.339 -45.489 -81.443 1.00 70.12 O ATOM 1573 OE2 GLU A 105 34.938 -47.138 -82.841 1.00 3.55 O ATOM 0 H GLU A 105 36.895 -43.446 -80.655 1.00 51.24 H new ATOM 0 HA GLU A 105 38.494 -43.162 -82.900 1.00 62.30 H new ATOM 0 HB2 GLU A 105 38.984 -45.282 -82.343 1.00 14.22 H new ATOM 0 HB3 GLU A 105 37.762 -45.177 -81.092 1.00 14.22 H new ATOM 0 HG2 GLU A 105 37.091 -45.974 -83.937 1.00 23.43 H new ATOM 0 HG3 GLU A 105 37.611 -47.142 -82.738 1.00 23.43 H new ATOM 1580 N PHE A 106 35.360 -43.730 -83.605 1.00 73.13 N ATOM 1581 CA PHE A 106 34.382 -43.782 -84.686 1.00 11.22 C ATOM 1582 C PHE A 106 34.496 -42.552 -85.582 1.00 11.12 C ATOM 1583 O PHE A 106 34.174 -42.602 -86.769 1.00 71.01 O ATOM 1584 CB PHE A 106 32.965 -43.882 -84.116 1.00 64.10 C ATOM 1585 CG PHE A 106 31.893 -43.558 -85.116 1.00 74.52 C ATOM 1586 CD1 PHE A 106 31.729 -44.334 -86.252 1.00 64.34 C ATOM 1587 CD2 PHE A 106 31.048 -42.478 -84.920 1.00 53.13 C ATOM 1588 CE1 PHE A 106 30.743 -44.039 -87.175 1.00 30.53 C ATOM 1589 CE2 PHE A 106 30.059 -42.179 -85.839 1.00 2.53 C ATOM 1590 CZ PHE A 106 29.907 -42.959 -86.968 1.00 25.42 C ATOM 0 H PHE A 106 34.954 -43.687 -82.670 1.00 73.13 H new ATOM 0 HA PHE A 106 34.588 -44.668 -85.287 1.00 11.22 H new ATOM 0 HB2 PHE A 106 32.805 -44.892 -83.737 1.00 64.10 H new ATOM 0 HB3 PHE A 106 32.875 -43.205 -83.266 1.00 64.10 H new ATOM 0 HD1 PHE A 106 32.380 -45.180 -86.419 1.00 64.34 H new ATOM 0 HD2 PHE A 106 31.163 -41.863 -84.040 1.00 53.13 H new ATOM 0 HE1 PHE A 106 30.627 -44.652 -88.057 1.00 30.53 H new ATOM 0 HE2 PHE A 106 29.405 -41.335 -85.674 1.00 2.53 H new ATOM 0 HZ PHE A 106 29.136 -42.725 -87.688 1.00 25.42 H new ATOM 1600 N LYS A 107 34.956 -41.447 -85.004 1.00 70.32 N ATOM 1601 CA LYS A 107 35.114 -40.203 -85.748 1.00 61.30 C ATOM 1602 C LYS A 107 36.394 -40.224 -86.578 1.00 30.25 C ATOM 1603 O LYS A 107 36.541 -39.458 -87.529 1.00 55.21 O ATOM 1604 CB LYS A 107 35.135 -39.011 -84.789 1.00 54.31 C ATOM 1605 CG LYS A 107 35.522 -37.702 -85.455 1.00 0.42 C ATOM 1606 CD LYS A 107 34.866 -36.513 -84.772 1.00 75.33 C ATOM 1607 CE LYS A 107 35.777 -35.902 -83.719 1.00 41.35 C ATOM 1608 NZ LYS A 107 35.926 -34.431 -83.901 1.00 74.10 N ATOM 0 H LYS A 107 35.226 -41.388 -84.022 1.00 70.32 H new ATOM 0 HA LYS A 107 34.265 -40.103 -86.424 1.00 61.30 H new ATOM 0 HB2 LYS A 107 34.149 -38.902 -84.337 1.00 54.31 H new ATOM 0 HB3 LYS A 107 35.835 -39.218 -83.980 1.00 54.31 H new ATOM 0 HG2 LYS A 107 36.605 -37.586 -85.428 1.00 0.42 H new ATOM 0 HG3 LYS A 107 35.230 -37.727 -86.505 1.00 0.42 H new ATOM 0 HD2 LYS A 107 34.612 -35.759 -85.517 1.00 75.33 H new ATOM 0 HD3 LYS A 107 33.932 -36.829 -84.307 1.00 75.33 H new ATOM 0 HE2 LYS A 107 35.374 -36.106 -82.727 1.00 41.35 H new ATOM 0 HE3 LYS A 107 36.758 -36.375 -83.768 1.00 41.35 H new ATOM 0 HZ1 LYS A 107 36.554 -34.052 -83.164 1.00 74.10 H new ATOM 0 HZ2 LYS A 107 36.334 -34.237 -84.838 1.00 74.10 H new ATOM 0 HZ3 LYS A 107 34.994 -33.976 -83.829 1.00 74.10 H new ATOM 1622 N ALA A 108 37.317 -41.107 -86.211 1.00 20.22 N ATOM 1623 CA ALA A 108 38.583 -41.230 -86.923 1.00 54.14 C ATOM 1624 C ALA A 108 38.513 -42.326 -87.981 1.00 71.03 C ATOM 1625 O ALA A 108 38.956 -42.138 -89.114 1.00 33.54 O ATOM 1626 CB ALA A 108 39.714 -41.509 -85.945 1.00 42.13 C ATOM 0 H ALA A 108 37.212 -41.748 -85.424 1.00 20.22 H new ATOM 0 HA ALA A 108 38.780 -40.285 -87.429 1.00 54.14 H new ATOM 0 HB1 ALA A 108 40.653 -41.598 -86.491 1.00 42.13 H new ATOM 0 HB2 ALA A 108 39.787 -40.690 -85.230 1.00 42.13 H new ATOM 0 HB3 ALA A 108 39.514 -42.439 -85.413 1.00 42.13 H new ATOM 1632 N GLY A 109 37.954 -43.472 -87.604 1.00 23.13 N ATOM 1633 CA GLY A 109 37.838 -44.582 -88.532 1.00 10.23 C ATOM 1634 C GLY A 109 38.829 -45.690 -88.237 1.00 71.30 C ATOM 1635 O GLY A 109 39.106 -46.529 -89.095 1.00 25.51 O ATOM 0 H GLY A 109 37.579 -43.652 -86.672 1.00 23.13 H new ATOM 0 HA2 GLY A 109 36.825 -44.983 -88.489 1.00 10.23 H new ATOM 0 HA3 GLY A 109 37.994 -44.220 -89.548 1.00 10.23 H new ATOM 1639 N LEU A 110 39.365 -45.694 -87.022 1.00 25.22 N ATOM 1640 CA LEU A 110 40.333 -46.708 -86.616 1.00 44.51 C ATOM 1641 C LEU A 110 39.836 -47.479 -85.398 1.00 74.32 C ATOM 1642 O LEU A 110 39.303 -46.894 -84.454 1.00 62.34 O ATOM 1643 CB LEU A 110 41.683 -46.057 -86.305 1.00 55.04 C ATOM 1644 CG LEU A 110 42.192 -45.045 -87.332 1.00 61.14 C ATOM 1645 CD1 LEU A 110 42.011 -45.580 -88.744 1.00 63.43 C ATOM 1646 CD2 LEU A 110 41.475 -43.713 -87.169 1.00 43.33 C ATOM 0 H LEU A 110 39.146 -45.007 -86.300 1.00 25.22 H new ATOM 0 HA LEU A 110 40.455 -47.409 -87.442 1.00 44.51 H new ATOM 0 HB2 LEU A 110 41.609 -45.558 -85.339 1.00 55.04 H new ATOM 0 HB3 LEU A 110 42.429 -46.845 -86.201 1.00 55.04 H new ATOM 0 HG LEU A 110 43.256 -44.886 -87.159 1.00 61.14 H new ATOM 0 HD11 LEU A 110 42.379 -44.846 -89.461 1.00 63.43 H new ATOM 0 HD12 LEU A 110 42.571 -46.509 -88.856 1.00 63.43 H new ATOM 0 HD13 LEU A 110 40.954 -45.769 -88.929 1.00 63.43 H new ATOM 0 HD21 LEU A 110 41.850 -43.005 -87.908 1.00 43.33 H new ATOM 0 HD22 LEU A 110 40.404 -43.856 -87.314 1.00 43.33 H new ATOM 0 HD23 LEU A 110 41.656 -43.322 -86.168 1.00 43.33 H new ATOM 1658 N HIS A 111 40.014 -48.796 -85.425 1.00 23.31 N ATOM 1659 CA HIS A 111 39.586 -49.648 -84.321 1.00 72.55 C ATOM 1660 C HIS A 111 40.217 -49.196 -83.008 1.00 44.25 C ATOM 1661 O HIS A 111 40.977 -48.229 -82.975 1.00 45.53 O ATOM 1662 CB HIS A 111 39.954 -51.106 -84.602 1.00 54.31 C ATOM 1663 CG HIS A 111 38.770 -52.022 -84.659 1.00 41.13 C ATOM 1664 ND1 HIS A 111 37.807 -51.946 -85.643 1.00 33.20 N ATOM 1665 CD2 HIS A 111 38.398 -53.039 -83.848 1.00 22.50 C ATOM 1666 CE1 HIS A 111 36.893 -52.877 -85.433 1.00 55.52 C ATOM 1667 NE2 HIS A 111 37.228 -53.554 -84.350 1.00 63.03 N ATOM 0 H HIS A 111 40.451 -49.296 -86.199 1.00 23.31 H new ATOM 0 HA HIS A 111 38.503 -49.565 -84.230 1.00 72.55 H new ATOM 0 HB2 HIS A 111 40.491 -51.161 -85.549 1.00 54.31 H new ATOM 0 HB3 HIS A 111 40.637 -51.456 -83.828 1.00 54.31 H new ATOM 0 HD2 HIS A 111 38.924 -53.382 -82.969 1.00 22.50 H new ATOM 0 HE1 HIS A 111 36.020 -53.054 -86.044 1.00 55.52 H new ATOM 0 HE2 HIS A 111 36.703 -54.333 -83.951 1.00 63.03 H new ATOM 1675 N ALA A 112 39.897 -49.901 -81.929 1.00 34.41 N ATOM 1676 CA ALA A 112 40.434 -49.573 -80.614 1.00 54.22 C ATOM 1677 C ALA A 112 40.617 -50.827 -79.767 1.00 33.22 C ATOM 1678 O ALA A 112 40.026 -51.871 -80.049 1.00 3.04 O ATOM 1679 CB ALA A 112 39.522 -48.582 -79.904 1.00 63.45 C ATOM 0 H ALA A 112 39.268 -50.704 -81.939 1.00 34.41 H new ATOM 0 HA ALA A 112 41.413 -49.115 -80.753 1.00 54.22 H new ATOM 0 HB1 ALA A 112 39.935 -48.346 -78.923 1.00 63.45 H new ATOM 0 HB2 ALA A 112 39.446 -47.669 -80.495 1.00 63.45 H new ATOM 0 HB3 ALA A 112 38.531 -49.020 -79.785 1.00 63.45 H new ATOM 1685 N LEU A 113 41.438 -50.719 -78.728 1.00 61.24 N ATOM 1686 CA LEU A 113 41.700 -51.846 -77.839 1.00 53.14 C ATOM 1687 C LEU A 113 41.513 -51.443 -76.380 1.00 43.22 C ATOM 1688 O LEU A 113 41.782 -50.303 -76.002 1.00 22.35 O ATOM 1689 CB LEU A 113 43.119 -52.374 -78.057 1.00 52.02 C ATOM 1690 CG LEU A 113 44.194 -51.320 -78.322 1.00 1.43 C ATOM 1691 CD1 LEU A 113 45.418 -51.577 -77.457 1.00 2.14 C ATOM 1692 CD2 LEU A 113 44.574 -51.303 -79.795 1.00 71.11 C ATOM 0 H LEU A 113 41.934 -49.863 -78.480 1.00 61.24 H new ATOM 0 HA LEU A 113 40.986 -52.635 -78.073 1.00 53.14 H new ATOM 0 HB2 LEU A 113 43.411 -52.948 -77.178 1.00 52.02 H new ATOM 0 HB3 LEU A 113 43.102 -53.066 -78.899 1.00 52.02 H new ATOM 0 HG LEU A 113 43.789 -50.342 -78.061 1.00 1.43 H new ATOM 0 HD11 LEU A 113 46.173 -50.817 -77.659 1.00 2.14 H new ATOM 0 HD12 LEU A 113 45.135 -51.537 -76.405 1.00 2.14 H new ATOM 0 HD13 LEU A 113 45.825 -52.562 -77.686 1.00 2.14 H new ATOM 0 HD21 LEU A 113 45.340 -50.547 -79.964 1.00 71.11 H new ATOM 0 HD22 LEU A 113 44.960 -52.281 -80.083 1.00 71.11 H new ATOM 0 HD23 LEU A 113 43.695 -51.069 -80.395 1.00 71.11 H new ATOM 1704 N ALA A 114 41.053 -52.386 -75.565 1.00 61.42 N ATOM 1705 CA ALA A 114 40.835 -52.131 -74.147 1.00 10.12 C ATOM 1706 C ALA A 114 41.231 -53.339 -73.304 1.00 41.42 C ATOM 1707 O ALA A 114 41.033 -54.483 -73.711 1.00 54.11 O ATOM 1708 CB ALA A 114 39.380 -51.763 -73.894 1.00 63.14 C ATOM 0 H ALA A 114 40.824 -53.334 -75.863 1.00 61.42 H new ATOM 0 HA ALA A 114 41.467 -51.293 -73.853 1.00 10.12 H new ATOM 0 HB1 ALA A 114 39.232 -51.575 -72.831 1.00 63.14 H new ATOM 0 HB2 ALA A 114 39.128 -50.866 -74.459 1.00 63.14 H new ATOM 0 HB3 ALA A 114 38.737 -52.584 -74.211 1.00 63.14 H new ATOM 1714 N MET A 115 41.793 -53.076 -72.129 1.00 13.42 N ATOM 1715 CA MET A 115 42.216 -54.142 -71.229 1.00 22.11 C ATOM 1716 C MET A 115 41.950 -53.765 -69.775 1.00 53.31 C ATOM 1717 O MET A 115 42.471 -52.767 -69.276 1.00 13.30 O ATOM 1718 CB MET A 115 43.703 -54.444 -71.425 1.00 41.23 C ATOM 1719 CG MET A 115 44.124 -54.499 -72.885 1.00 5.32 C ATOM 1720 SD MET A 115 45.868 -54.912 -73.089 1.00 74.04 S ATOM 1721 CE MET A 115 46.516 -53.356 -73.694 1.00 11.41 C ATOM 0 H MET A 115 41.966 -52.134 -71.778 1.00 13.42 H new ATOM 0 HA MET A 115 41.636 -55.034 -71.466 1.00 22.11 H new ATOM 0 HB2 MET A 115 44.291 -53.681 -70.914 1.00 41.23 H new ATOM 0 HB3 MET A 115 43.937 -55.397 -70.951 1.00 41.23 H new ATOM 0 HG2 MET A 115 43.516 -55.238 -73.407 1.00 5.32 H new ATOM 0 HG3 MET A 115 43.926 -53.535 -73.353 1.00 5.32 H new ATOM 0 HE1 MET A 115 47.588 -53.451 -73.868 1.00 11.41 H new ATOM 0 HE2 MET A 115 46.018 -53.093 -74.627 1.00 11.41 H new ATOM 0 HE3 MET A 115 46.337 -52.575 -72.955 1.00 11.41 H new ATOM 1731 N THR A 116 41.135 -54.569 -69.099 1.00 54.23 N ATOM 1732 CA THR A 116 40.798 -54.318 -67.704 1.00 31.23 C ATOM 1733 C THR A 116 41.311 -55.437 -66.805 1.00 25.12 C ATOM 1734 O THR A 116 41.014 -56.612 -67.025 1.00 55.40 O ATOM 1735 CB THR A 116 39.276 -54.177 -67.510 1.00 4.45 C ATOM 1736 OG1 THR A 116 38.658 -55.468 -67.527 1.00 21.04 O ATOM 1737 CG2 THR A 116 38.671 -53.304 -68.599 1.00 33.33 C ATOM 0 H THR A 116 40.696 -55.400 -69.496 1.00 54.23 H new ATOM 0 HA THR A 116 41.281 -53.381 -67.426 1.00 31.23 H new ATOM 0 HB THR A 116 39.097 -53.703 -66.545 1.00 4.45 H new ATOM 0 HG1 THR A 116 37.771 -55.401 -67.938 1.00 21.04 H new ATOM 0 HG21 THR A 116 37.596 -53.219 -68.442 1.00 33.33 H new ATOM 0 HG22 THR A 116 39.123 -52.313 -68.563 1.00 33.33 H new ATOM 0 HG23 THR A 116 38.860 -53.754 -69.573 1.00 33.33 H new ATOM 1745 N THR A 117 42.085 -55.066 -65.789 1.00 62.22 N ATOM 1746 CA THR A 117 42.641 -56.039 -64.857 1.00 13.33 C ATOM 1747 C THR A 117 42.178 -55.760 -63.431 1.00 73.53 C ATOM 1748 O THR A 117 42.588 -54.777 -62.815 1.00 13.32 O ATOM 1749 CB THR A 117 44.181 -56.036 -64.894 1.00 34.42 C ATOM 1750 OG1 THR A 117 44.698 -56.803 -63.801 1.00 21.13 O ATOM 1751 CG2 THR A 117 44.722 -54.616 -64.825 1.00 35.32 C ATOM 0 H THR A 117 42.341 -54.099 -65.591 1.00 62.22 H new ATOM 0 HA THR A 117 42.279 -57.019 -65.169 1.00 13.33 H new ATOM 0 HB THR A 117 44.501 -56.483 -65.835 1.00 34.42 H new ATOM 0 HG1 THR A 117 45.677 -56.798 -63.832 1.00 21.13 H new ATOM 0 HG21 THR A 117 45.811 -54.640 -64.853 1.00 35.32 H new ATOM 0 HG22 THR A 117 44.350 -54.043 -65.674 1.00 35.32 H new ATOM 0 HG23 THR A 117 44.393 -54.146 -63.898 1.00 35.32 H new ATOM 1759 N LYS A 118 41.321 -56.633 -62.911 1.00 61.15 N ATOM 1760 CA LYS A 118 40.803 -56.483 -61.557 1.00 32.31 C ATOM 1761 C LYS A 118 40.887 -57.801 -60.793 1.00 41.02 C ATOM 1762 O LYS A 118 40.713 -58.876 -61.368 1.00 24.31 O ATOM 1763 CB LYS A 118 39.353 -55.995 -61.595 1.00 31.34 C ATOM 1764 CG LYS A 118 38.744 -55.790 -60.218 1.00 61.52 C ATOM 1765 CD LYS A 118 37.644 -56.801 -59.939 1.00 52.42 C ATOM 1766 CE LYS A 118 36.267 -56.214 -60.211 1.00 31.22 C ATOM 1767 NZ LYS A 118 35.698 -55.552 -59.004 1.00 61.22 N ATOM 0 H LYS A 118 40.971 -57.452 -63.408 1.00 61.15 H new ATOM 0 HA LYS A 118 41.415 -55.744 -61.040 1.00 32.31 H new ATOM 0 HB2 LYS A 118 39.309 -55.056 -62.146 1.00 31.34 H new ATOM 0 HB3 LYS A 118 38.750 -56.717 -62.146 1.00 31.34 H new ATOM 0 HG2 LYS A 118 39.521 -55.878 -59.459 1.00 61.52 H new ATOM 0 HG3 LYS A 118 38.339 -54.781 -60.145 1.00 61.52 H new ATOM 0 HD2 LYS A 118 37.794 -57.684 -60.560 1.00 52.42 H new ATOM 0 HD3 LYS A 118 37.703 -57.128 -58.901 1.00 52.42 H new ATOM 0 HE2 LYS A 118 36.335 -55.491 -61.024 1.00 31.22 H new ATOM 0 HE3 LYS A 118 35.594 -57.005 -60.543 1.00 31.22 H new ATOM 0 HZ1 LYS A 118 34.760 -55.165 -59.230 1.00 61.22 H new ATOM 0 HZ2 LYS A 118 35.610 -56.247 -58.236 1.00 61.22 H new ATOM 0 HZ3 LYS A 118 36.327 -54.781 -58.702 1.00 61.22 H new ATOM 1781 N THR A 119 41.154 -57.711 -59.494 1.00 15.12 N ATOM 1782 CA THR A 119 41.260 -58.895 -58.652 1.00 23.54 C ATOM 1783 C THR A 119 39.993 -59.739 -58.727 1.00 21.45 C ATOM 1784 O THR A 119 38.921 -59.262 -59.100 1.00 5.11 O ATOM 1785 CB THR A 119 41.526 -58.518 -57.182 1.00 52.20 C ATOM 1786 OG1 THR A 119 40.868 -57.286 -56.866 1.00 42.44 O ATOM 1787 CG2 THR A 119 43.018 -58.384 -56.919 1.00 21.12 C ATOM 0 H THR A 119 41.301 -56.829 -59.002 1.00 15.12 H new ATOM 0 HA THR A 119 42.102 -59.475 -59.029 1.00 23.54 H new ATOM 0 HB THR A 119 41.132 -59.313 -56.549 1.00 52.20 H new ATOM 0 HG1 THR A 119 41.040 -57.054 -55.930 1.00 42.44 H new ATOM 0 HG21 THR A 119 43.181 -58.117 -55.875 1.00 21.12 H new ATOM 0 HG22 THR A 119 43.512 -59.332 -57.133 1.00 21.12 H new ATOM 0 HG23 THR A 119 43.432 -57.606 -57.561 1.00 21.12 H new