USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 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 12:sc= -1.61! USER MOD Set 1.2: A 83 SER OG : rot -62:sc= 0.452 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 71:sc= -0.864 USER MOD Single : A 39 LYS NZ :NH3+ -103:sc= 0.198 (180deg=-0.409) USER MOD Single : A 45 SER OG : rot 180:sc= -0.536 USER MOD Single : A 48 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.27) USER MOD Single : A 55 SER OG : rot 180:sc= -0.805 USER MOD Single : A 56 HIS : no HE2:sc= 0.08 K(o=0.08,f=-2.4) USER MOD Single : A 75 THR OG1 : rot -15:sc= 0.529! USER MOD Single : A 76 HIS : no HE2:sc= -1.45 X(o=-1.5,f=-1.9) 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 140:sc= -4.29! USER MOD Single : A 93 LYS NZ :NH3+ -160:sc=-0.00941 (180deg=-0.147) USER MOD Single : A 95 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-4.7!) 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 180:sc= -0.0663 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=-0.0013) USER MOD Single : A 115 MET CE :methyl -163:sc= 0 (180deg=-0.0533) USER MOD Single : A 116 THR OG1 : rot -84:sc= -1.08 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.00896 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 39.757 -35.494 -73.860 1.00 5.44 N ATOM 472 CA ALA A 33 38.623 -34.616 -74.118 1.00 13.15 C ATOM 473 C ALA A 33 37.549 -34.778 -73.047 1.00 72.21 C ATOM 474 O ALA A 33 37.845 -35.126 -71.905 1.00 33.12 O ATOM 475 CB ALA A 33 38.043 -34.895 -75.496 1.00 53.53 C ATOM 0 HA ALA A 33 38.978 -33.586 -74.087 1.00 13.15 H new ATOM 0 HB1 ALA A 33 37.197 -34.232 -75.676 1.00 53.53 H new ATOM 0 HB2 ALA A 33 38.807 -34.722 -76.254 1.00 53.53 H new ATOM 0 HB3 ALA A 33 37.709 -35.931 -75.547 1.00 53.53 H new ATOM 481 N GLY A 34 36.300 -34.523 -73.425 1.00 13.22 N ATOM 482 CA GLY A 34 35.201 -34.645 -72.485 1.00 32.32 C ATOM 483 C GLY A 34 35.256 -35.937 -71.694 1.00 33.31 C ATOM 484 O GLY A 34 34.880 -35.972 -70.522 1.00 65.14 O ATOM 0 H GLY A 34 36.030 -34.234 -74.365 1.00 13.22 H new ATOM 0 HA2 GLY A 34 35.220 -33.800 -71.797 1.00 32.32 H new ATOM 0 HA3 GLY A 34 34.256 -34.594 -73.026 1.00 32.32 H new ATOM 488 N ALA A 35 35.723 -37.003 -72.336 1.00 2.11 N ATOM 489 CA ALA A 35 35.826 -38.303 -71.685 1.00 11.13 C ATOM 490 C ALA A 35 36.601 -38.201 -70.375 1.00 72.23 C ATOM 491 O ALA A 35 36.349 -38.954 -69.434 1.00 74.00 O ATOM 492 CB ALA A 35 36.488 -39.308 -72.615 1.00 73.52 C ATOM 0 H ALA A 35 36.036 -36.992 -73.307 1.00 2.11 H new ATOM 0 HA ALA A 35 34.818 -38.647 -71.455 1.00 11.13 H new ATOM 0 HB1 ALA A 35 36.558 -40.274 -72.116 1.00 73.52 H new ATOM 0 HB2 ALA A 35 35.893 -39.411 -73.522 1.00 73.52 H new ATOM 0 HB3 ALA A 35 37.488 -38.960 -72.874 1.00 73.52 H new ATOM 498 N ILE A 36 37.544 -37.267 -70.323 1.00 24.24 N ATOM 499 CA ILE A 36 38.355 -37.068 -69.128 1.00 3.20 C ATOM 500 C ILE A 36 37.487 -36.700 -67.929 1.00 64.14 C ATOM 501 O ILE A 36 37.802 -37.046 -66.791 1.00 25.43 O ATOM 502 CB ILE A 36 39.410 -35.966 -69.341 1.00 61.00 C ATOM 503 CG1 ILE A 36 40.405 -35.951 -68.179 1.00 3.31 C ATOM 504 CG2 ILE A 36 38.737 -34.609 -69.487 1.00 20.50 C ATOM 505 CD1 ILE A 36 41.578 -35.021 -68.400 1.00 21.32 C ATOM 0 H ILE A 36 37.765 -36.636 -71.094 1.00 24.24 H new ATOM 0 HA ILE A 36 38.862 -38.012 -68.930 1.00 3.20 H new ATOM 0 HB ILE A 36 39.956 -36.179 -70.260 1.00 61.00 H new ATOM 0 HG12 ILE A 36 39.884 -35.655 -67.269 1.00 3.31 H new ATOM 0 HG13 ILE A 36 40.779 -36.962 -68.018 1.00 3.31 H new ATOM 0 HG21 ILE A 36 39.496 -33.841 -69.637 1.00 20.50 H new ATOM 0 HG22 ILE A 36 38.064 -34.627 -70.345 1.00 20.50 H new ATOM 0 HG23 ILE A 36 38.168 -34.386 -68.584 1.00 20.50 H new ATOM 0 HD11 ILE A 36 42.242 -35.061 -67.537 1.00 21.32 H new ATOM 0 HD12 ILE A 36 42.123 -35.329 -69.292 1.00 21.32 H new ATOM 0 HD13 ILE A 36 41.215 -34.002 -68.531 1.00 21.32 H new ATOM 517 N LYS A 37 36.391 -35.997 -68.193 1.00 60.32 N ATOM 518 CA LYS A 37 35.474 -35.584 -67.138 1.00 31.33 C ATOM 519 C LYS A 37 34.783 -36.793 -66.513 1.00 42.54 C ATOM 520 O LYS A 37 34.549 -36.830 -65.305 1.00 63.25 O ATOM 521 CB LYS A 37 34.427 -34.616 -67.693 1.00 42.13 C ATOM 522 CG LYS A 37 33.933 -33.604 -66.674 1.00 45.41 C ATOM 523 CD LYS A 37 33.875 -32.204 -67.262 1.00 14.30 C ATOM 524 CE LYS A 37 34.922 -31.293 -66.639 1.00 71.32 C ATOM 525 NZ LYS A 37 34.437 -30.673 -65.375 1.00 72.31 N ATOM 0 H LYS A 37 36.116 -35.701 -69.130 1.00 60.32 H new ATOM 0 HA LYS A 37 36.054 -35.079 -66.365 1.00 31.33 H new ATOM 0 HB2 LYS A 37 34.852 -34.084 -68.544 1.00 42.13 H new ATOM 0 HB3 LYS A 37 33.577 -35.188 -68.066 1.00 42.13 H new ATOM 0 HG2 LYS A 37 32.943 -33.894 -66.323 1.00 45.41 H new ATOM 0 HG3 LYS A 37 34.593 -33.608 -65.806 1.00 45.41 H new ATOM 0 HD2 LYS A 37 34.030 -32.254 -68.340 1.00 14.30 H new ATOM 0 HD3 LYS A 37 32.883 -31.782 -67.102 1.00 14.30 H new ATOM 0 HE2 LYS A 37 35.828 -31.865 -66.439 1.00 71.32 H new ATOM 0 HE3 LYS A 37 35.190 -30.510 -67.348 1.00 71.32 H new ATOM 0 HZ1 LYS A 37 35.179 -30.060 -64.982 1.00 72.31 H new ATOM 0 HZ2 LYS A 37 33.587 -30.106 -65.570 1.00 72.31 H new ATOM 0 HZ3 LYS A 37 34.205 -31.419 -64.689 1.00 72.31 H new ATOM 539 N SER A 38 34.461 -37.779 -67.344 1.00 54.21 N ATOM 540 CA SER A 38 33.795 -38.988 -66.873 1.00 53.44 C ATOM 541 C SER A 38 34.697 -39.770 -65.924 1.00 13.14 C ATOM 542 O SER A 38 34.273 -40.181 -64.843 1.00 50.11 O ATOM 543 CB SER A 38 33.396 -39.870 -68.058 1.00 55.41 C ATOM 544 OG SER A 38 32.865 -41.107 -67.617 1.00 23.34 O ATOM 0 H SER A 38 34.650 -37.765 -68.346 1.00 54.21 H new ATOM 0 HA SER A 38 32.897 -38.691 -66.331 1.00 53.44 H new ATOM 0 HB2 SER A 38 32.658 -39.351 -68.669 1.00 55.41 H new ATOM 0 HB3 SER A 38 34.265 -40.049 -68.691 1.00 55.41 H new ATOM 0 HG SER A 38 31.981 -40.961 -67.220 1.00 23.34 H new ATOM 550 N LYS A 39 35.944 -39.972 -66.335 1.00 31.54 N ATOM 551 CA LYS A 39 36.908 -40.704 -65.522 1.00 65.01 C ATOM 552 C LYS A 39 37.195 -39.964 -64.220 1.00 4.43 C ATOM 553 O LYS A 39 37.424 -40.582 -63.180 1.00 2.31 O ATOM 554 CB LYS A 39 38.210 -40.911 -66.301 1.00 14.22 C ATOM 555 CG LYS A 39 38.836 -39.617 -66.793 1.00 21.53 C ATOM 556 CD LYS A 39 40.191 -39.863 -67.435 1.00 22.23 C ATOM 557 CE LYS A 39 41.322 -39.316 -66.577 1.00 32.31 C ATOM 558 NZ LYS A 39 42.432 -40.298 -66.431 1.00 43.33 N ATOM 0 H LYS A 39 36.311 -39.639 -67.227 1.00 31.54 H new ATOM 0 HA LYS A 39 36.478 -41.676 -65.280 1.00 65.01 H new ATOM 0 HB2 LYS A 39 38.925 -41.432 -65.665 1.00 14.22 H new ATOM 0 HB3 LYS A 39 38.013 -41.558 -67.156 1.00 14.22 H new ATOM 0 HG2 LYS A 39 38.171 -39.141 -67.514 1.00 21.53 H new ATOM 0 HG3 LYS A 39 38.948 -38.925 -65.958 1.00 21.53 H new ATOM 0 HD2 LYS A 39 40.334 -40.933 -67.588 1.00 22.23 H new ATOM 0 HD3 LYS A 39 40.219 -39.394 -68.418 1.00 22.23 H new ATOM 0 HE2 LYS A 39 41.705 -38.398 -67.023 1.00 32.31 H new ATOM 0 HE3 LYS A 39 40.937 -39.054 -65.592 1.00 32.31 H new ATOM 0 HZ1 LYS A 39 42.382 -40.741 -65.491 1.00 43.33 H new ATOM 0 HZ2 LYS A 39 42.346 -41.031 -67.164 1.00 43.33 H new ATOM 0 HZ3 LYS A 39 43.344 -39.809 -66.536 1.00 43.33 H new ATOM 572 N VAL A 40 37.180 -38.636 -64.283 1.00 42.13 N ATOM 573 CA VAL A 40 37.436 -37.811 -63.108 1.00 62.34 C ATOM 574 C VAL A 40 36.409 -38.080 -62.014 1.00 64.21 C ATOM 575 O VAL A 40 36.740 -38.089 -60.829 1.00 33.02 O ATOM 576 CB VAL A 40 37.415 -36.312 -63.460 1.00 0.22 C ATOM 577 CG1 VAL A 40 37.344 -35.468 -62.196 1.00 74.12 C ATOM 578 CG2 VAL A 40 38.635 -35.942 -64.289 1.00 65.12 C ATOM 0 H VAL A 40 36.993 -38.108 -65.136 1.00 42.13 H new ATOM 0 HA VAL A 40 38.428 -38.077 -62.744 1.00 62.34 H new ATOM 0 HB VAL A 40 36.525 -36.109 -64.055 1.00 0.22 H new ATOM 0 HG11 VAL A 40 37.330 -34.412 -62.464 1.00 74.12 H new ATOM 0 HG12 VAL A 40 36.437 -35.714 -61.644 1.00 74.12 H new ATOM 0 HG13 VAL A 40 38.214 -35.673 -61.573 1.00 74.12 H new ATOM 0 HG21 VAL A 40 38.603 -34.879 -64.529 1.00 65.12 H new ATOM 0 HG22 VAL A 40 39.540 -36.159 -63.722 1.00 65.12 H new ATOM 0 HG23 VAL A 40 38.637 -36.522 -65.212 1.00 65.12 H new ATOM 588 N GLU A 41 35.163 -38.299 -62.421 1.00 32.54 N ATOM 589 CA GLU A 41 34.087 -38.568 -61.473 1.00 63.54 C ATOM 590 C GLU A 41 34.434 -39.756 -60.579 1.00 50.44 C ATOM 591 O GLU A 41 34.173 -39.738 -59.377 1.00 14.30 O ATOM 592 CB GLU A 41 32.779 -38.842 -62.218 1.00 14.43 C ATOM 593 CG GLU A 41 32.335 -37.695 -63.110 1.00 41.50 C ATOM 594 CD GLU A 41 32.561 -36.338 -62.472 1.00 11.24 C ATOM 595 OE1 GLU A 41 33.668 -35.783 -62.635 1.00 53.45 O ATOM 596 OE2 GLU A 41 31.632 -35.832 -61.808 1.00 41.53 O ATOM 0 H GLU A 41 34.873 -38.296 -63.399 1.00 32.54 H new ATOM 0 HA GLU A 41 33.962 -37.686 -60.844 1.00 63.54 H new ATOM 0 HB2 GLU A 41 32.898 -39.739 -62.826 1.00 14.43 H new ATOM 0 HB3 GLU A 41 31.994 -39.051 -61.491 1.00 14.43 H new ATOM 0 HG2 GLU A 41 32.877 -37.743 -64.054 1.00 41.50 H new ATOM 0 HG3 GLU A 41 31.277 -37.810 -63.344 1.00 41.50 H new ATOM 603 N ALA A 42 35.024 -40.786 -61.176 1.00 74.14 N ATOM 604 CA ALA A 42 35.408 -41.981 -60.435 1.00 74.02 C ATOM 605 C ALA A 42 36.493 -41.667 -59.411 1.00 41.34 C ATOM 606 O ALA A 42 36.670 -42.397 -58.437 1.00 3.23 O ATOM 607 CB ALA A 42 35.880 -43.066 -61.391 1.00 75.34 C ATOM 0 H ALA A 42 35.247 -40.817 -62.171 1.00 74.14 H new ATOM 0 HA ALA A 42 34.531 -42.342 -59.897 1.00 74.02 H new ATOM 0 HB1 ALA A 42 36.164 -43.953 -60.824 1.00 75.34 H new ATOM 0 HB2 ALA A 42 35.075 -43.319 -62.081 1.00 75.34 H new ATOM 0 HB3 ALA A 42 36.740 -42.705 -61.955 1.00 75.34 H new ATOM 613 N ALA A 43 37.218 -40.576 -59.640 1.00 34.22 N ATOM 614 CA ALA A 43 38.285 -40.165 -58.736 1.00 70.13 C ATOM 615 C ALA A 43 37.741 -39.866 -57.344 1.00 34.24 C ATOM 616 O ALA A 43 38.467 -39.943 -56.352 1.00 44.50 O ATOM 617 CB ALA A 43 39.010 -38.949 -59.294 1.00 75.11 C ATOM 0 H ALA A 43 37.086 -39.962 -60.443 1.00 34.22 H new ATOM 0 HA ALA A 43 38.993 -40.989 -58.651 1.00 70.13 H new ATOM 0 HB1 ALA A 43 39.804 -38.653 -58.609 1.00 75.11 H new ATOM 0 HB2 ALA A 43 39.441 -39.196 -60.264 1.00 75.11 H new ATOM 0 HB3 ALA A 43 38.305 -38.126 -59.409 1.00 75.11 H new ATOM 623 N LEU A 44 36.459 -39.525 -57.275 1.00 54.14 N ATOM 624 CA LEU A 44 35.816 -39.213 -56.003 1.00 64.41 C ATOM 625 C LEU A 44 35.874 -40.409 -55.057 1.00 53.32 C ATOM 626 O LEU A 44 35.797 -40.253 -53.839 1.00 11.24 O ATOM 627 CB LEU A 44 34.362 -38.799 -56.232 1.00 12.44 C ATOM 628 CG LEU A 44 34.146 -37.559 -57.100 1.00 10.53 C ATOM 629 CD1 LEU A 44 32.765 -37.586 -57.735 1.00 53.24 C ATOM 630 CD2 LEU A 44 34.331 -36.292 -56.276 1.00 62.33 C ATOM 0 H LEU A 44 35.844 -39.457 -58.086 1.00 54.14 H new ATOM 0 HA LEU A 44 36.355 -38.384 -55.545 1.00 64.41 H new ATOM 0 HB2 LEU A 44 33.835 -39.635 -56.691 1.00 12.44 H new ATOM 0 HB3 LEU A 44 33.898 -38.624 -55.261 1.00 12.44 H new ATOM 0 HG LEU A 44 34.890 -37.563 -57.897 1.00 10.53 H new ATOM 0 HD11 LEU A 44 32.629 -36.696 -58.349 1.00 53.24 H new ATOM 0 HD12 LEU A 44 32.669 -38.475 -58.358 1.00 53.24 H new ATOM 0 HD13 LEU A 44 32.006 -37.607 -56.953 1.00 53.24 H new ATOM 0 HD21 LEU A 44 34.174 -35.419 -56.910 1.00 62.33 H new ATOM 0 HD22 LEU A 44 33.610 -36.281 -55.458 1.00 62.33 H new ATOM 0 HD23 LEU A 44 35.342 -36.267 -55.869 1.00 62.33 H new ATOM 642 N SER A 45 36.011 -41.602 -55.627 1.00 1.31 N ATOM 643 CA SER A 45 36.077 -42.824 -54.835 1.00 24.14 C ATOM 644 C SER A 45 37.469 -43.445 -54.909 1.00 2.32 C ATOM 645 O SER A 45 38.262 -43.149 -55.803 1.00 51.02 O ATOM 646 CB SER A 45 35.032 -43.829 -55.321 1.00 33.42 C ATOM 647 OG SER A 45 34.071 -44.094 -54.313 1.00 41.41 O ATOM 0 H SER A 45 36.078 -41.748 -56.634 1.00 1.31 H new ATOM 0 HA SER A 45 35.868 -42.566 -53.797 1.00 24.14 H new ATOM 0 HB2 SER A 45 34.534 -43.440 -56.209 1.00 33.42 H new ATOM 0 HB3 SER A 45 35.524 -44.757 -55.612 1.00 33.42 H new ATOM 0 HG SER A 45 33.413 -44.738 -54.649 1.00 41.41 H new ATOM 653 N PRO A 46 37.775 -44.327 -53.946 1.00 13.02 N ATOM 654 CA PRO A 46 39.071 -45.009 -53.879 1.00 54.12 C ATOM 655 C PRO A 46 39.250 -46.025 -55.002 1.00 53.54 C ATOM 656 O PRO A 46 38.795 -47.165 -54.902 1.00 11.43 O ATOM 657 CB PRO A 46 39.031 -45.715 -52.521 1.00 53.35 C ATOM 658 CG PRO A 46 37.581 -45.908 -52.238 1.00 21.04 C ATOM 659 CD PRO A 46 36.878 -44.727 -52.848 1.00 64.12 C ATOM 0 HA PRO A 46 39.903 -44.314 -53.989 1.00 54.12 H new ATOM 0 HB2 PRO A 46 39.558 -46.668 -52.555 1.00 53.35 H new ATOM 0 HB3 PRO A 46 39.509 -45.114 -51.748 1.00 53.35 H new ATOM 0 HG2 PRO A 46 37.220 -46.842 -52.669 1.00 21.04 H new ATOM 0 HG3 PRO A 46 37.397 -45.960 -51.165 1.00 21.04 H new ATOM 0 HD2 PRO A 46 35.887 -44.995 -53.215 1.00 64.12 H new ATOM 0 HD3 PRO A 46 36.743 -43.922 -52.125 1.00 64.12 H new ATOM 667 N THR A 47 39.916 -45.604 -56.074 1.00 33.44 N ATOM 668 CA THR A 47 40.154 -46.477 -57.216 1.00 63.02 C ATOM 669 C THR A 47 41.026 -45.789 -58.261 1.00 32.32 C ATOM 670 O THR A 47 41.564 -44.708 -58.020 1.00 64.33 O ATOM 671 CB THR A 47 38.832 -46.915 -57.875 1.00 3.54 C ATOM 672 OG1 THR A 47 39.076 -47.974 -58.806 1.00 62.15 O ATOM 673 CG2 THR A 47 38.171 -45.746 -58.589 1.00 40.25 C ATOM 0 H THR A 47 40.300 -44.664 -56.174 1.00 33.44 H new ATOM 0 HA THR A 47 40.671 -47.358 -56.837 1.00 63.02 H new ATOM 0 HB THR A 47 38.161 -47.269 -57.092 1.00 3.54 H new ATOM 0 HG1 THR A 47 39.986 -48.316 -58.682 1.00 62.15 H new ATOM 0 HG21 THR A 47 37.239 -46.079 -59.047 1.00 40.25 H new ATOM 0 HG22 THR A 47 37.960 -44.954 -57.871 1.00 40.25 H new ATOM 0 HG23 THR A 47 38.840 -45.367 -59.362 1.00 40.25 H new ATOM 681 N HIS A 48 41.160 -46.422 -59.422 1.00 64.10 N ATOM 682 CA HIS A 48 41.966 -45.869 -60.505 1.00 24.51 C ATOM 683 C HIS A 48 41.172 -45.829 -61.807 1.00 43.20 C ATOM 684 O HIS A 48 40.345 -46.702 -62.069 1.00 64.43 O ATOM 685 CB HIS A 48 43.238 -46.696 -60.695 1.00 64.23 C ATOM 686 CG HIS A 48 44.357 -45.935 -61.338 1.00 73.35 C ATOM 687 ND1 HIS A 48 45.183 -46.480 -62.299 1.00 54.31 N ATOM 688 CD2 HIS A 48 44.783 -44.664 -61.155 1.00 54.42 C ATOM 689 CE1 HIS A 48 46.069 -45.577 -62.678 1.00 2.55 C ATOM 690 NE2 HIS A 48 45.848 -44.465 -61.999 1.00 32.33 N ATOM 0 H HIS A 48 40.721 -47.317 -59.637 1.00 64.10 H new ATOM 0 HA HIS A 48 42.241 -44.849 -60.236 1.00 24.51 H new ATOM 0 HB2 HIS A 48 43.571 -47.064 -59.724 1.00 64.23 H new ATOM 0 HB3 HIS A 48 43.006 -47.569 -61.305 1.00 64.23 H new ATOM 0 HD2 HIS A 48 44.363 -43.940 -60.472 1.00 54.42 H new ATOM 0 HE1 HIS A 48 46.843 -45.723 -63.417 1.00 2.55 H new ATOM 0 HE2 HIS A 48 46.381 -43.600 -62.087 1.00 32.33 H new ATOM 698 N PHE A 49 41.428 -44.808 -62.619 1.00 25.40 N ATOM 699 CA PHE A 49 40.736 -44.653 -63.893 1.00 44.11 C ATOM 700 C PHE A 49 41.723 -44.338 -65.013 1.00 64.34 C ATOM 701 O PHE A 49 42.527 -43.412 -64.907 1.00 2.22 O ATOM 702 CB PHE A 49 39.687 -43.543 -63.796 1.00 25.13 C ATOM 703 CG PHE A 49 40.179 -42.315 -63.085 1.00 12.34 C ATOM 704 CD1 PHE A 49 40.114 -42.225 -61.704 1.00 22.15 C ATOM 705 CD2 PHE A 49 40.705 -41.249 -63.798 1.00 33.34 C ATOM 706 CE1 PHE A 49 40.566 -41.096 -61.046 1.00 73.20 C ATOM 707 CE2 PHE A 49 41.158 -40.118 -63.146 1.00 21.24 C ATOM 708 CZ PHE A 49 41.087 -40.041 -61.768 1.00 44.03 C ATOM 0 H PHE A 49 42.109 -44.076 -62.417 1.00 25.40 H new ATOM 0 HA PHE A 49 40.239 -45.595 -64.125 1.00 44.11 H new ATOM 0 HB2 PHE A 49 39.367 -43.268 -64.801 1.00 25.13 H new ATOM 0 HB3 PHE A 49 38.810 -43.927 -63.276 1.00 25.13 H new ATOM 0 HD1 PHE A 49 39.705 -43.047 -61.135 1.00 22.15 H new ATOM 0 HD2 PHE A 49 40.761 -41.303 -64.875 1.00 33.34 H new ATOM 0 HE1 PHE A 49 40.512 -41.040 -59.969 1.00 73.20 H new ATOM 0 HE2 PHE A 49 41.567 -39.295 -63.713 1.00 21.24 H new ATOM 0 HZ PHE A 49 41.439 -39.157 -61.257 1.00 44.03 H new ATOM 718 N LYS A 50 41.657 -45.117 -66.088 1.00 22.01 N ATOM 719 CA LYS A 50 42.543 -44.923 -67.230 1.00 22.34 C ATOM 720 C LYS A 50 41.745 -44.811 -68.525 1.00 2.23 C ATOM 721 O LYS A 50 41.130 -45.779 -68.973 1.00 64.42 O ATOM 722 CB LYS A 50 43.539 -46.081 -67.331 1.00 1.23 C ATOM 723 CG LYS A 50 44.481 -45.971 -68.517 1.00 40.02 C ATOM 724 CD LYS A 50 44.647 -47.306 -69.223 1.00 23.43 C ATOM 725 CE LYS A 50 46.098 -47.560 -69.602 1.00 3.41 C ATOM 726 NZ LYS A 50 46.399 -49.014 -69.705 1.00 71.52 N ATOM 0 H LYS A 50 40.999 -45.889 -66.192 1.00 22.01 H new ATOM 0 HA LYS A 50 43.090 -43.992 -67.080 1.00 22.34 H new ATOM 0 HB2 LYS A 50 44.126 -46.125 -66.414 1.00 1.23 H new ATOM 0 HB3 LYS A 50 42.987 -47.019 -67.401 1.00 1.23 H new ATOM 0 HG2 LYS A 50 44.097 -45.232 -69.220 1.00 40.02 H new ATOM 0 HG3 LYS A 50 45.454 -45.614 -68.178 1.00 40.02 H new ATOM 0 HD2 LYS A 50 44.294 -48.108 -68.575 1.00 23.43 H new ATOM 0 HD3 LYS A 50 44.027 -47.324 -70.119 1.00 23.43 H new ATOM 0 HE2 LYS A 50 46.314 -47.076 -70.555 1.00 3.41 H new ATOM 0 HE3 LYS A 50 46.752 -47.106 -68.858 1.00 3.41 H new ATOM 0 HZ1 LYS A 50 47.398 -49.144 -69.965 1.00 71.52 H new ATOM 0 HZ2 LYS A 50 46.217 -49.472 -68.789 1.00 71.52 H new ATOM 0 HZ3 LYS A 50 45.793 -49.443 -70.433 1.00 71.52 H new ATOM 740 N LEU A 51 41.760 -43.624 -69.122 1.00 71.30 N ATOM 741 CA LEU A 51 41.039 -43.386 -70.367 1.00 54.24 C ATOM 742 C LEU A 51 41.957 -42.774 -71.420 1.00 41.40 C ATOM 743 O LEU A 51 42.613 -41.762 -71.172 1.00 44.52 O ATOM 744 CB LEU A 51 39.843 -42.464 -70.119 1.00 23.01 C ATOM 745 CG LEU A 51 39.216 -41.829 -71.360 1.00 74.44 C ATOM 746 CD1 LEU A 51 37.795 -42.335 -71.558 1.00 70.10 C ATOM 747 CD2 LEU A 51 39.233 -40.312 -71.250 1.00 50.23 C ATOM 0 H LEU A 51 42.263 -42.812 -68.764 1.00 71.30 H new ATOM 0 HA LEU A 51 40.680 -44.346 -70.738 1.00 54.24 H new ATOM 0 HB2 LEU A 51 39.073 -43.033 -69.598 1.00 23.01 H new ATOM 0 HB3 LEU A 51 40.158 -41.666 -69.447 1.00 23.01 H new ATOM 0 HG LEU A 51 39.807 -42.116 -72.229 1.00 74.44 H new ATOM 0 HD11 LEU A 51 37.364 -41.872 -72.446 1.00 70.10 H new ATOM 0 HD12 LEU A 51 37.808 -43.418 -71.683 1.00 70.10 H new ATOM 0 HD13 LEU A 51 37.193 -42.078 -70.687 1.00 70.10 H new ATOM 0 HD21 LEU A 51 38.783 -39.877 -72.142 1.00 50.23 H new ATOM 0 HD22 LEU A 51 38.666 -40.005 -70.371 1.00 50.23 H new ATOM 0 HD23 LEU A 51 40.262 -39.965 -71.157 1.00 50.23 H new ATOM 759 N ILE A 52 41.997 -43.393 -72.595 1.00 50.40 N ATOM 760 CA ILE A 52 42.832 -42.906 -73.686 1.00 63.41 C ATOM 761 C ILE A 52 41.999 -42.621 -74.931 1.00 2.41 C ATOM 762 O ILE A 52 41.436 -43.532 -75.536 1.00 10.32 O ATOM 763 CB ILE A 52 43.937 -43.918 -74.043 1.00 24.11 C ATOM 764 CG1 ILE A 52 43.335 -45.306 -74.268 1.00 71.34 C ATOM 765 CG2 ILE A 52 44.989 -43.963 -72.944 1.00 71.23 C ATOM 766 CD1 ILE A 52 43.677 -45.902 -75.616 1.00 54.44 C ATOM 0 H ILE A 52 41.461 -44.232 -72.816 1.00 50.40 H new ATOM 0 HA ILE A 52 43.294 -41.981 -73.341 1.00 63.41 H new ATOM 0 HB ILE A 52 44.418 -43.597 -74.967 1.00 24.11 H new ATOM 0 HG12 ILE A 52 43.686 -45.977 -73.484 1.00 71.34 H new ATOM 0 HG13 ILE A 52 42.251 -45.243 -74.172 1.00 71.34 H new ATOM 0 HG21 ILE A 52 45.763 -44.683 -73.211 1.00 71.23 H new ATOM 0 HG22 ILE A 52 45.436 -42.976 -72.827 1.00 71.23 H new ATOM 0 HG23 ILE A 52 44.522 -44.263 -72.006 1.00 71.23 H new ATOM 0 HD11 ILE A 52 43.217 -46.886 -75.706 1.00 54.44 H new ATOM 0 HD12 ILE A 52 43.302 -45.252 -76.407 1.00 54.44 H new ATOM 0 HD13 ILE A 52 44.759 -45.998 -75.708 1.00 54.44 H new ATOM 778 N ASN A 53 41.927 -41.348 -75.309 1.00 24.31 N ATOM 779 CA ASN A 53 41.164 -40.942 -76.483 1.00 40.22 C ATOM 780 C ASN A 53 42.092 -40.475 -77.600 1.00 42.34 C ATOM 781 O ASN A 53 42.924 -39.590 -77.401 1.00 3.33 O ATOM 782 CB ASN A 53 40.184 -39.825 -76.119 1.00 0.14 C ATOM 783 CG ASN A 53 40.555 -38.500 -76.756 1.00 0.55 C ATOM 784 OD1 ASN A 53 41.205 -37.660 -76.133 1.00 44.43 O ATOM 785 ND2 ASN A 53 40.142 -38.306 -78.003 1.00 34.34 N ATOM 0 H ASN A 53 42.388 -40.581 -74.819 1.00 24.31 H new ATOM 0 HA ASN A 53 40.603 -41.807 -76.838 1.00 40.22 H new ATOM 0 HB2 ASN A 53 39.180 -40.109 -76.435 1.00 0.14 H new ATOM 0 HB3 ASN A 53 40.156 -39.709 -75.036 1.00 0.14 H new ATOM 0 HD21 ASN A 53 40.361 -37.433 -78.483 1.00 34.34 H new ATOM 0 HD22 ASN A 53 39.606 -39.030 -78.481 1.00 34.34 H new ATOM 792 N ASP A 54 41.943 -41.075 -78.776 1.00 33.21 N ATOM 793 CA ASP A 54 42.766 -40.720 -79.926 1.00 71.10 C ATOM 794 C ASP A 54 41.902 -40.215 -81.078 1.00 31.44 C ATOM 795 O ASP A 54 42.091 -40.610 -82.228 1.00 61.30 O ATOM 796 CB ASP A 54 43.591 -41.925 -80.381 1.00 50.20 C ATOM 797 CG ASP A 54 45.028 -41.557 -80.695 1.00 31.11 C ATOM 798 OD1 ASP A 54 45.269 -40.968 -81.770 1.00 32.23 O ATOM 799 OD2 ASP A 54 45.911 -41.857 -79.865 1.00 64.43 O ATOM 0 H ASP A 54 41.259 -41.810 -78.958 1.00 33.21 H new ATOM 0 HA ASP A 54 43.442 -39.920 -79.625 1.00 71.10 H new ATOM 0 HB2 ASP A 54 43.576 -42.687 -79.602 1.00 50.20 H new ATOM 0 HB3 ASP A 54 43.130 -42.364 -81.266 1.00 50.20 H new ATOM 804 N SER A 55 40.952 -39.341 -80.759 1.00 64.34 N ATOM 805 CA SER A 55 40.056 -38.786 -81.767 1.00 32.34 C ATOM 806 C SER A 55 40.829 -38.377 -83.016 1.00 44.41 C ATOM 807 O SER A 55 41.902 -37.777 -82.928 1.00 34.30 O ATOM 808 CB SER A 55 39.303 -37.581 -81.201 1.00 10.41 C ATOM 809 OG SER A 55 38.025 -37.450 -81.800 1.00 24.11 O ATOM 0 H SER A 55 40.783 -39.002 -79.812 1.00 64.34 H new ATOM 0 HA SER A 55 39.337 -39.558 -82.044 1.00 32.34 H new ATOM 0 HB2 SER A 55 39.193 -37.691 -80.122 1.00 10.41 H new ATOM 0 HB3 SER A 55 39.882 -36.674 -81.371 1.00 10.41 H new ATOM 0 HG SER A 55 37.564 -36.674 -81.420 1.00 24.11 H new ATOM 815 N HIS A 56 40.278 -38.705 -84.180 1.00 54.52 N ATOM 816 CA HIS A 56 40.915 -38.371 -85.449 1.00 54.22 C ATOM 817 C HIS A 56 42.205 -39.164 -85.635 1.00 12.34 C ATOM 818 O HIS A 56 43.058 -39.198 -84.748 1.00 3.41 O ATOM 819 CB HIS A 56 41.209 -36.872 -85.517 1.00 42.05 C ATOM 820 CG HIS A 56 42.654 -36.556 -85.755 1.00 12.34 C ATOM 821 ND1 HIS A 56 43.578 -36.450 -84.737 1.00 11.34 N ATOM 822 CD2 HIS A 56 43.332 -36.323 -86.902 1.00 64.55 C ATOM 823 CE1 HIS A 56 44.762 -36.164 -85.248 1.00 21.30 C ATOM 824 NE2 HIS A 56 44.640 -36.083 -86.561 1.00 4.33 N ATOM 0 H HIS A 56 39.392 -39.202 -84.271 1.00 54.52 H new ATOM 0 HA HIS A 56 40.228 -38.636 -86.253 1.00 54.22 H new ATOM 0 HB2 HIS A 56 40.612 -36.429 -86.314 1.00 42.05 H new ATOM 0 HB3 HIS A 56 40.892 -36.405 -84.584 1.00 42.05 H new ATOM 0 HD1 HIS A 56 43.378 -36.573 -83.744 1.00 11.34 H new ATOM 0 HD2 HIS A 56 42.921 -36.325 -87.901 1.00 64.55 H new ATOM 0 HE1 HIS A 56 45.674 -36.021 -84.688 1.00 21.30 H new ATOM 1069 N THR A 75 40.346 -49.405 -82.788 1.00 11.40 N ATOM 1070 CA THR A 75 39.874 -48.746 -81.577 1.00 31.14 C ATOM 1071 C THR A 75 40.877 -47.707 -81.089 1.00 53.54 C ATOM 1072 O THR A 75 42.059 -48.004 -80.916 1.00 2.44 O ATOM 1073 CB THR A 75 39.617 -49.763 -80.448 1.00 55.33 C ATOM 1074 OG1 THR A 75 40.811 -49.959 -79.684 1.00 64.42 O ATOM 1075 CG2 THR A 75 39.147 -51.094 -81.016 1.00 14.41 C ATOM 0 HA THR A 75 38.937 -48.251 -81.832 1.00 31.14 H new ATOM 0 HB THR A 75 38.835 -49.365 -79.802 1.00 55.33 H new ATOM 0 HG1 THR A 75 41.578 -49.599 -80.177 1.00 64.42 H new ATOM 0 HG21 THR A 75 38.972 -51.796 -80.201 1.00 14.41 H new ATOM 0 HG22 THR A 75 38.221 -50.946 -81.572 1.00 14.41 H new ATOM 0 HG23 THR A 75 39.911 -51.495 -81.683 1.00 14.41 H new ATOM 1083 N HIS A 76 40.398 -46.486 -80.870 1.00 33.22 N ATOM 1084 CA HIS A 76 41.253 -45.402 -80.401 1.00 3.03 C ATOM 1085 C HIS A 76 40.811 -44.918 -79.023 1.00 21.31 C ATOM 1086 O HIS A 76 41.564 -44.244 -78.320 1.00 14.15 O ATOM 1087 CB HIS A 76 41.230 -44.240 -81.394 1.00 1.32 C ATOM 1088 CG HIS A 76 42.201 -44.398 -82.523 1.00 51.44 C ATOM 1089 ND1 HIS A 76 42.920 -45.554 -82.741 1.00 44.53 N ATOM 1090 CD2 HIS A 76 42.568 -43.538 -83.502 1.00 50.40 C ATOM 1091 CE1 HIS A 76 43.689 -45.397 -83.804 1.00 24.00 C ATOM 1092 NE2 HIS A 76 43.494 -44.182 -84.285 1.00 20.45 N ATOM 0 H HIS A 76 39.422 -46.223 -81.010 1.00 33.22 H new ATOM 0 HA HIS A 76 42.271 -45.783 -80.323 1.00 3.03 H new ATOM 0 HB2 HIS A 76 40.224 -44.141 -81.802 1.00 1.32 H new ATOM 0 HB3 HIS A 76 41.451 -43.314 -80.863 1.00 1.32 H new ATOM 0 HD1 HIS A 76 42.867 -46.398 -82.171 1.00 44.53 H new ATOM 0 HD2 HIS A 76 42.201 -42.532 -83.641 1.00 50.40 H new ATOM 0 HE1 HIS A 76 44.363 -46.137 -84.211 1.00 24.00 H new ATOM 1100 N PHE A 77 39.586 -45.266 -78.644 1.00 31.40 N ATOM 1101 CA PHE A 77 39.043 -44.866 -77.351 1.00 72.21 C ATOM 1102 C PHE A 77 38.878 -46.074 -76.433 1.00 54.12 C ATOM 1103 O PHE A 77 38.384 -47.122 -76.851 1.00 11.51 O ATOM 1104 CB PHE A 77 37.696 -44.163 -77.535 1.00 62.42 C ATOM 1105 CG PHE A 77 37.787 -42.892 -78.330 1.00 4.15 C ATOM 1106 CD1 PHE A 77 38.119 -42.922 -79.674 1.00 41.05 C ATOM 1107 CD2 PHE A 77 37.541 -41.667 -77.731 1.00 52.34 C ATOM 1108 CE1 PHE A 77 38.204 -41.753 -80.407 1.00 64.33 C ATOM 1109 CE2 PHE A 77 37.624 -40.495 -78.459 1.00 42.44 C ATOM 1110 CZ PHE A 77 37.955 -40.538 -79.799 1.00 64.34 C ATOM 0 H PHE A 77 38.950 -45.824 -79.214 1.00 31.40 H new ATOM 0 HA PHE A 77 39.746 -44.174 -76.888 1.00 72.21 H new ATOM 0 HB2 PHE A 77 37.005 -44.844 -78.031 1.00 62.42 H new ATOM 0 HB3 PHE A 77 37.275 -43.940 -76.555 1.00 62.42 H new ATOM 0 HD1 PHE A 77 38.314 -43.869 -80.155 1.00 41.05 H new ATOM 0 HD2 PHE A 77 37.281 -41.628 -76.683 1.00 52.34 H new ATOM 0 HE1 PHE A 77 38.465 -41.790 -81.454 1.00 64.33 H new ATOM 0 HE2 PHE A 77 37.430 -39.546 -77.980 1.00 42.44 H new ATOM 0 HZ PHE A 77 38.019 -39.624 -80.370 1.00 64.34 H new ATOM 1120 N ARG A 78 39.295 -45.919 -75.181 1.00 31.31 N ATOM 1121 CA ARG A 78 39.195 -46.997 -74.204 1.00 3.31 C ATOM 1122 C ARG A 78 39.008 -46.438 -72.796 1.00 63.51 C ATOM 1123 O ARG A 78 39.613 -45.429 -72.431 1.00 62.34 O ATOM 1124 CB ARG A 78 40.446 -47.876 -74.253 1.00 42.03 C ATOM 1125 CG ARG A 78 41.379 -47.675 -73.070 1.00 42.14 C ATOM 1126 CD ARG A 78 42.716 -48.365 -73.292 1.00 2.22 C ATOM 1127 NE ARG A 78 42.638 -49.802 -73.044 1.00 2.13 N ATOM 1128 CZ ARG A 78 43.534 -50.675 -73.492 1.00 11.44 C ATOM 1129 NH1 ARG A 78 44.570 -50.258 -74.206 1.00 61.44 N ATOM 1130 NH2 ARG A 78 43.394 -51.967 -73.224 1.00 43.23 N ATOM 0 H ARG A 78 39.705 -45.058 -74.819 1.00 31.31 H new ATOM 0 HA ARG A 78 38.324 -47.602 -74.455 1.00 3.31 H new ATOM 0 HB2 ARG A 78 40.143 -48.922 -74.292 1.00 42.03 H new ATOM 0 HB3 ARG A 78 40.991 -47.667 -75.174 1.00 42.03 H new ATOM 0 HG2 ARG A 78 41.541 -46.609 -72.910 1.00 42.14 H new ATOM 0 HG3 ARG A 78 40.912 -48.066 -72.166 1.00 42.14 H new ATOM 0 HD2 ARG A 78 43.048 -48.191 -74.316 1.00 2.22 H new ATOM 0 HD3 ARG A 78 43.465 -47.924 -72.635 1.00 2.22 H new ATOM 0 HE ARG A 78 41.853 -50.155 -72.497 1.00 2.13 H new ATOM 0 HH11 ARG A 78 44.681 -49.265 -74.412 1.00 61.44 H new ATOM 0 HH12 ARG A 78 45.257 -50.930 -74.549 1.00 61.44 H new ATOM 0 HH21 ARG A 78 42.598 -52.290 -72.674 1.00 43.23 H new ATOM 0 HH22 ARG A 78 44.082 -52.637 -73.568 1.00 43.23 H new ATOM 1144 N LEU A 79 38.167 -47.101 -72.010 1.00 0.32 N ATOM 1145 CA LEU A 79 37.899 -46.671 -70.642 1.00 4.14 C ATOM 1146 C LEU A 79 37.928 -47.857 -69.683 1.00 12.21 C ATOM 1147 O LEU A 79 37.145 -48.796 -69.820 1.00 13.04 O ATOM 1148 CB LEU A 79 36.542 -45.969 -70.563 1.00 25.12 C ATOM 1149 CG LEU A 79 36.419 -44.862 -69.515 1.00 61.31 C ATOM 1150 CD1 LEU A 79 34.986 -44.361 -69.434 1.00 74.04 C ATOM 1151 CD2 LEU A 79 36.890 -45.360 -68.156 1.00 15.50 C ATOM 0 H LEU A 79 37.659 -47.938 -72.296 1.00 0.32 H new ATOM 0 HA LEU A 79 38.681 -45.970 -70.348 1.00 4.14 H new ATOM 0 HB2 LEU A 79 36.319 -45.542 -71.541 1.00 25.12 H new ATOM 0 HB3 LEU A 79 35.778 -46.720 -70.361 1.00 25.12 H new ATOM 0 HG LEU A 79 37.056 -44.030 -69.816 1.00 61.31 H new ATOM 0 HD11 LEU A 79 34.918 -43.574 -68.683 1.00 74.04 H new ATOM 0 HD12 LEU A 79 34.684 -43.965 -70.403 1.00 74.04 H new ATOM 0 HD13 LEU A 79 34.328 -45.184 -69.157 1.00 74.04 H new ATOM 0 HD21 LEU A 79 36.796 -44.559 -67.422 1.00 15.50 H new ATOM 0 HD22 LEU A 79 36.279 -46.209 -67.848 1.00 15.50 H new ATOM 0 HD23 LEU A 79 37.933 -45.669 -68.223 1.00 15.50 H new ATOM 1163 N GLU A 80 38.834 -47.805 -68.712 1.00 4.21 N ATOM 1164 CA GLU A 80 38.963 -48.875 -67.730 1.00 0.23 C ATOM 1165 C GLU A 80 39.321 -48.313 -66.357 1.00 14.13 C ATOM 1166 O GLU A 80 40.034 -47.315 -66.248 1.00 75.13 O ATOM 1167 CB GLU A 80 40.027 -49.880 -68.174 1.00 62.33 C ATOM 1168 CG GLU A 80 39.694 -50.582 -69.480 1.00 52.12 C ATOM 1169 CD GLU A 80 40.412 -51.909 -69.629 1.00 43.15 C ATOM 1170 OE1 GLU A 80 40.640 -52.578 -68.600 1.00 62.51 O ATOM 1171 OE2 GLU A 80 40.747 -52.278 -70.775 1.00 13.44 O ATOM 0 H GLU A 80 39.489 -47.034 -68.584 1.00 4.21 H new ATOM 0 HA GLU A 80 38.002 -49.383 -67.657 1.00 0.23 H new ATOM 0 HB2 GLU A 80 40.980 -49.363 -68.282 1.00 62.33 H new ATOM 0 HB3 GLU A 80 40.157 -50.628 -67.392 1.00 62.33 H new ATOM 0 HG2 GLU A 80 38.618 -50.747 -69.535 1.00 52.12 H new ATOM 0 HG3 GLU A 80 39.960 -49.934 -70.315 1.00 52.12 H new ATOM 1178 N VAL A 81 38.820 -48.961 -65.310 1.00 14.12 N ATOM 1179 CA VAL A 81 39.086 -48.527 -63.943 1.00 72.44 C ATOM 1180 C VAL A 81 39.516 -49.700 -63.069 1.00 11.32 C ATOM 1181 O VAL A 81 38.998 -50.810 -63.199 1.00 41.52 O ATOM 1182 CB VAL A 81 37.848 -47.859 -63.315 1.00 62.53 C ATOM 1183 CG1 VAL A 81 37.202 -46.898 -64.301 1.00 2.31 C ATOM 1184 CG2 VAL A 81 36.852 -48.912 -62.854 1.00 34.20 C ATOM 0 H VAL A 81 38.228 -49.788 -65.382 1.00 14.12 H new ATOM 0 HA VAL A 81 39.896 -47.799 -63.993 1.00 72.44 H new ATOM 0 HB VAL A 81 38.167 -47.287 -62.444 1.00 62.53 H new ATOM 0 HG11 VAL A 81 36.329 -46.436 -63.840 1.00 2.31 H new ATOM 0 HG12 VAL A 81 37.919 -46.125 -64.578 1.00 2.31 H new ATOM 0 HG13 VAL A 81 36.895 -47.444 -65.193 1.00 2.31 H new ATOM 0 HG21 VAL A 81 35.984 -48.423 -62.413 1.00 34.20 H new ATOM 0 HG22 VAL A 81 36.536 -49.512 -63.707 1.00 34.20 H new ATOM 0 HG23 VAL A 81 37.322 -49.557 -62.111 1.00 34.20 H new ATOM 1194 N THR A 82 40.467 -49.447 -62.175 1.00 41.31 N ATOM 1195 CA THR A 82 40.968 -50.481 -61.279 1.00 1.24 C ATOM 1196 C THR A 82 40.727 -50.108 -59.820 1.00 73.23 C ATOM 1197 O THR A 82 41.306 -49.149 -59.310 1.00 65.45 O ATOM 1198 CB THR A 82 42.474 -50.727 -61.491 1.00 74.52 C ATOM 1199 OG1 THR A 82 42.728 -51.053 -62.862 1.00 50.43 O ATOM 1200 CG2 THR A 82 42.969 -51.854 -60.597 1.00 72.33 C ATOM 0 H THR A 82 40.906 -48.534 -62.053 1.00 41.31 H new ATOM 0 HA THR A 82 40.421 -51.394 -61.514 1.00 1.24 H new ATOM 0 HB THR A 82 43.010 -49.815 -61.229 1.00 74.52 H new ATOM 0 HG1 THR A 82 43.688 -51.206 -62.989 1.00 50.43 H new ATOM 0 HG21 THR A 82 44.035 -52.010 -60.764 1.00 72.33 H new ATOM 0 HG22 THR A 82 42.800 -51.591 -59.553 1.00 72.33 H new ATOM 0 HG23 THR A 82 42.427 -52.770 -60.833 1.00 72.33 H new ATOM 1208 N SER A 83 39.868 -50.873 -59.153 1.00 51.33 N ATOM 1209 CA SER A 83 39.548 -50.620 -57.753 1.00 74.43 C ATOM 1210 C SER A 83 40.000 -51.783 -56.875 1.00 0.24 C ATOM 1211 O SER A 83 39.366 -52.837 -56.846 1.00 75.41 O ATOM 1212 CB SER A 83 38.044 -50.394 -57.585 1.00 30.21 C ATOM 1213 OG SER A 83 37.423 -50.146 -58.834 1.00 54.40 O ATOM 0 H SER A 83 39.382 -51.672 -59.559 1.00 51.33 H new ATOM 0 HA SER A 83 40.080 -49.722 -57.440 1.00 74.43 H new ATOM 0 HB2 SER A 83 37.592 -51.269 -57.118 1.00 30.21 H new ATOM 0 HB3 SER A 83 37.872 -49.551 -56.916 1.00 30.21 H new ATOM 0 HG SER A 83 37.788 -49.324 -59.223 1.00 54.40 H new ATOM 1219 N ASP A 84 41.101 -51.581 -56.159 1.00 61.42 N ATOM 1220 CA ASP A 84 41.639 -52.611 -55.278 1.00 64.32 C ATOM 1221 C ASP A 84 42.145 -53.805 -56.083 1.00 11.24 C ATOM 1222 O ASP A 84 42.488 -54.844 -55.520 1.00 64.14 O ATOM 1223 CB ASP A 84 40.573 -53.067 -54.281 1.00 25.43 C ATOM 1224 CG ASP A 84 40.880 -52.626 -52.863 1.00 43.12 C ATOM 1225 OD1 ASP A 84 42.033 -52.813 -52.419 1.00 73.23 O ATOM 1226 OD2 ASP A 84 39.968 -52.092 -52.198 1.00 23.10 O ATOM 0 H ASP A 84 41.638 -50.714 -56.171 1.00 61.42 H new ATOM 0 HA ASP A 84 42.479 -52.183 -54.730 1.00 64.32 H new ATOM 0 HB2 ASP A 84 39.604 -52.667 -54.581 1.00 25.43 H new ATOM 0 HB3 ASP A 84 40.493 -54.154 -54.311 1.00 25.43 H new ATOM 1231 N ALA A 85 42.186 -53.648 -57.402 1.00 23.03 N ATOM 1232 CA ALA A 85 42.650 -54.712 -58.283 1.00 63.03 C ATOM 1233 C ALA A 85 42.065 -56.059 -57.873 1.00 71.14 C ATOM 1234 O ALA A 85 42.727 -56.860 -57.212 1.00 52.35 O ATOM 1235 CB ALA A 85 44.171 -54.773 -58.282 1.00 54.23 C ATOM 0 H ALA A 85 41.904 -52.794 -57.884 1.00 23.03 H new ATOM 0 HA ALA A 85 42.307 -54.489 -59.293 1.00 63.03 H new ATOM 0 HB1 ALA A 85 44.504 -55.572 -58.944 1.00 54.23 H new ATOM 0 HB2 ALA A 85 44.574 -53.822 -58.631 1.00 54.23 H new ATOM 0 HB3 ALA A 85 44.527 -54.969 -57.270 1.00 54.23 H new ATOM 1241 N PHE A 86 40.820 -56.303 -58.269 1.00 11.11 N ATOM 1242 CA PHE A 86 40.144 -57.553 -57.941 1.00 25.01 C ATOM 1243 C PHE A 86 38.753 -57.600 -58.566 1.00 64.02 C ATOM 1244 O PHE A 86 37.746 -57.418 -57.882 1.00 51.44 O ATOM 1245 CB PHE A 86 40.040 -57.718 -56.423 1.00 54.33 C ATOM 1246 CG PHE A 86 40.109 -59.148 -55.969 1.00 45.32 C ATOM 1247 CD1 PHE A 86 41.315 -59.831 -55.972 1.00 11.04 C ATOM 1248 CD2 PHE A 86 38.970 -59.809 -55.540 1.00 0.54 C ATOM 1249 CE1 PHE A 86 41.382 -61.147 -55.555 1.00 73.10 C ATOM 1250 CE2 PHE A 86 39.031 -61.125 -55.121 1.00 53.45 C ATOM 1251 CZ PHE A 86 40.239 -61.794 -55.128 1.00 75.33 C ATOM 0 H PHE A 86 40.259 -55.652 -58.818 1.00 11.11 H new ATOM 0 HA PHE A 86 40.734 -58.374 -58.349 1.00 25.01 H new ATOM 0 HB2 PHE A 86 40.844 -57.155 -55.949 1.00 54.33 H new ATOM 0 HB3 PHE A 86 39.101 -57.282 -56.082 1.00 54.33 H new ATOM 0 HD1 PHE A 86 42.212 -59.329 -56.304 1.00 11.04 H new ATOM 0 HD2 PHE A 86 38.023 -59.290 -55.533 1.00 0.54 H new ATOM 0 HE1 PHE A 86 42.327 -61.669 -55.563 1.00 73.10 H new ATOM 0 HE2 PHE A 86 38.135 -61.629 -54.789 1.00 53.45 H new ATOM 0 HZ PHE A 86 40.290 -62.822 -54.800 1.00 75.33 H new ATOM 1261 N LYS A 87 38.706 -57.845 -59.871 1.00 70.52 N ATOM 1262 CA LYS A 87 37.440 -57.918 -60.591 1.00 41.41 C ATOM 1263 C LYS A 87 36.500 -58.926 -59.938 1.00 54.44 C ATOM 1264 O LYS A 87 36.887 -60.059 -59.658 1.00 32.11 O ATOM 1265 CB LYS A 87 37.682 -58.302 -62.053 1.00 21.05 C ATOM 1266 CG LYS A 87 36.451 -58.858 -62.747 1.00 41.21 C ATOM 1267 CD LYS A 87 36.394 -60.373 -62.653 1.00 63.42 C ATOM 1268 CE LYS A 87 36.798 -61.029 -63.965 1.00 42.40 C ATOM 1269 NZ LYS A 87 36.756 -62.515 -63.879 1.00 14.31 N ATOM 0 H LYS A 87 39.531 -57.996 -60.452 1.00 70.52 H new ATOM 0 HA LYS A 87 36.972 -56.934 -60.553 1.00 41.41 H new ATOM 0 HB2 LYS A 87 38.031 -57.424 -62.598 1.00 21.05 H new ATOM 0 HB3 LYS A 87 38.480 -59.043 -62.098 1.00 21.05 H new ATOM 0 HG2 LYS A 87 35.555 -58.431 -62.297 1.00 41.21 H new ATOM 0 HG3 LYS A 87 36.456 -58.558 -63.795 1.00 41.21 H new ATOM 0 HD2 LYS A 87 37.055 -60.714 -61.856 1.00 63.42 H new ATOM 0 HD3 LYS A 87 35.384 -60.684 -62.385 1.00 63.42 H new ATOM 0 HE2 LYS A 87 36.132 -60.692 -64.759 1.00 42.40 H new ATOM 0 HE3 LYS A 87 37.804 -60.709 -64.236 1.00 42.40 H new ATOM 0 HZ1 LYS A 87 37.038 -62.924 -64.793 1.00 14.31 H new ATOM 0 HZ2 LYS A 87 37.411 -62.839 -63.138 1.00 14.31 H new ATOM 0 HZ3 LYS A 87 35.790 -62.822 -63.646 1.00 14.31 H new ATOM 1283 N GLY A 88 35.261 -58.505 -59.700 1.00 51.24 N ATOM 1284 CA GLY A 88 34.284 -59.384 -59.084 1.00 5.31 C ATOM 1285 C GLY A 88 32.866 -59.070 -59.518 1.00 4.24 C ATOM 1286 O GLY A 88 32.206 -59.894 -60.152 1.00 3.01 O ATOM 0 H GLY A 88 34.917 -57.571 -59.923 1.00 51.24 H new ATOM 0 HA2 GLY A 88 34.518 -60.418 -59.339 1.00 5.31 H new ATOM 0 HA3 GLY A 88 34.356 -59.299 -58.000 1.00 5.31 H new ATOM 1290 N LEU A 89 32.395 -57.876 -59.174 1.00 60.24 N ATOM 1291 CA LEU A 89 31.044 -57.455 -59.531 1.00 65.51 C ATOM 1292 C LEU A 89 30.967 -57.065 -61.003 1.00 51.35 C ATOM 1293 O LEU A 89 31.983 -56.770 -61.634 1.00 21.41 O ATOM 1294 CB LEU A 89 30.608 -56.279 -58.656 1.00 34.42 C ATOM 1295 CG LEU A 89 30.259 -56.615 -57.205 1.00 61.44 C ATOM 1296 CD1 LEU A 89 30.664 -55.477 -56.282 1.00 11.02 C ATOM 1297 CD2 LEU A 89 28.773 -56.912 -57.069 1.00 71.41 C ATOM 0 H LEU A 89 32.928 -57.183 -58.649 1.00 60.24 H new ATOM 0 HA LEU A 89 30.371 -58.295 -59.361 1.00 65.51 H new ATOM 0 HB2 LEU A 89 31.407 -55.538 -58.654 1.00 34.42 H new ATOM 0 HB3 LEU A 89 29.739 -55.810 -59.118 1.00 34.42 H new ATOM 0 HG LEU A 89 30.815 -57.506 -56.914 1.00 61.44 H new ATOM 0 HD11 LEU A 89 30.408 -55.734 -55.254 1.00 11.02 H new ATOM 0 HD12 LEU A 89 31.739 -55.312 -56.358 1.00 11.02 H new ATOM 0 HD13 LEU A 89 30.136 -54.568 -56.571 1.00 11.02 H new ATOM 0 HD21 LEU A 89 28.543 -57.149 -56.030 1.00 71.41 H new ATOM 0 HD22 LEU A 89 28.198 -56.039 -57.378 1.00 71.41 H new ATOM 0 HD23 LEU A 89 28.512 -57.761 -57.701 1.00 71.41 H new ATOM 1309 N THR A 90 29.753 -57.062 -61.547 1.00 4.24 N ATOM 1310 CA THR A 90 29.542 -56.706 -62.944 1.00 64.21 C ATOM 1311 C THR A 90 30.305 -55.438 -63.310 1.00 64.31 C ATOM 1312 O THR A 90 30.189 -54.415 -62.635 1.00 52.51 O ATOM 1313 CB THR A 90 28.047 -56.499 -63.251 1.00 43.35 C ATOM 1314 OG1 THR A 90 27.863 -56.261 -64.651 1.00 44.24 O ATOM 1315 CG2 THR A 90 27.488 -55.329 -62.455 1.00 64.14 C ATOM 0 H THR A 90 28.901 -57.302 -61.040 1.00 4.24 H new ATOM 0 HA THR A 90 29.917 -57.537 -63.542 1.00 64.21 H new ATOM 0 HB THR A 90 27.511 -57.403 -62.963 1.00 43.35 H new ATOM 0 HG1 THR A 90 27.062 -56.733 -64.961 1.00 44.24 H new ATOM 0 HG21 THR A 90 26.431 -55.202 -62.688 1.00 64.14 H new ATOM 0 HG22 THR A 90 27.603 -55.526 -61.389 1.00 64.14 H new ATOM 0 HG23 THR A 90 28.029 -54.420 -62.716 1.00 64.14 H new ATOM 1323 N LEU A 91 31.086 -55.512 -64.382 1.00 50.04 N ATOM 1324 CA LEU A 91 31.869 -54.369 -64.839 1.00 55.32 C ATOM 1325 C LEU A 91 30.967 -53.302 -65.452 1.00 0.53 C ATOM 1326 O LEU A 91 31.251 -52.107 -65.360 1.00 73.14 O ATOM 1327 CB LEU A 91 32.914 -54.817 -65.861 1.00 64.15 C ATOM 1328 CG LEU A 91 32.406 -55.045 -67.285 1.00 63.55 C ATOM 1329 CD1 LEU A 91 33.567 -55.075 -68.268 1.00 33.31 C ATOM 1330 CD2 LEU A 91 31.604 -56.336 -67.365 1.00 64.40 C ATOM 0 H LEU A 91 31.194 -56.352 -64.951 1.00 50.04 H new ATOM 0 HA LEU A 91 32.376 -53.939 -63.975 1.00 55.32 H new ATOM 0 HB2 LEU A 91 33.705 -54.068 -65.894 1.00 64.15 H new ATOM 0 HB3 LEU A 91 33.367 -55.743 -65.506 1.00 64.15 H new ATOM 0 HG LEU A 91 31.751 -54.216 -67.553 1.00 63.55 H new ATOM 0 HD11 LEU A 91 33.186 -55.238 -69.276 1.00 33.31 H new ATOM 0 HD12 LEU A 91 34.100 -54.125 -68.231 1.00 33.31 H new ATOM 0 HD13 LEU A 91 34.248 -55.883 -68.002 1.00 33.31 H new ATOM 0 HD21 LEU A 91 31.250 -56.482 -68.386 1.00 64.40 H new ATOM 0 HD22 LEU A 91 32.236 -57.176 -67.076 1.00 64.40 H new ATOM 0 HD23 LEU A 91 30.750 -56.276 -66.690 1.00 64.40 H new ATOM 1342 N VAL A 92 29.878 -53.741 -66.075 1.00 11.43 N ATOM 1343 CA VAL A 92 28.932 -52.823 -66.700 1.00 24.25 C ATOM 1344 C VAL A 92 28.401 -51.811 -65.691 1.00 53.01 C ATOM 1345 O VAL A 92 27.925 -50.738 -66.063 1.00 75.32 O ATOM 1346 CB VAL A 92 27.746 -53.580 -67.325 1.00 33.21 C ATOM 1347 CG1 VAL A 92 28.242 -54.716 -68.207 1.00 52.54 C ATOM 1348 CG2 VAL A 92 26.817 -54.104 -66.240 1.00 21.01 C ATOM 0 H VAL A 92 29.629 -54.726 -66.161 1.00 11.43 H new ATOM 0 HA VAL A 92 29.473 -52.297 -67.487 1.00 24.25 H new ATOM 0 HB VAL A 92 27.184 -52.886 -67.949 1.00 33.21 H new ATOM 0 HG11 VAL A 92 27.389 -55.239 -68.640 1.00 52.54 H new ATOM 0 HG12 VAL A 92 28.863 -54.312 -69.006 1.00 52.54 H new ATOM 0 HG13 VAL A 92 28.829 -55.412 -67.608 1.00 52.54 H new ATOM 0 HG21 VAL A 92 25.984 -54.636 -66.700 1.00 21.01 H new ATOM 0 HG22 VAL A 92 27.366 -54.783 -65.588 1.00 21.01 H new ATOM 0 HG23 VAL A 92 26.434 -53.268 -65.654 1.00 21.01 H new ATOM 1358 N LYS A 93 28.485 -52.159 -64.411 1.00 44.45 N ATOM 1359 CA LYS A 93 28.015 -51.280 -63.347 1.00 31.41 C ATOM 1360 C LYS A 93 28.888 -50.034 -63.244 1.00 52.20 C ATOM 1361 O LYS A 93 28.383 -48.911 -63.217 1.00 74.51 O ATOM 1362 CB LYS A 93 28.010 -52.024 -62.009 1.00 74.03 C ATOM 1363 CG LYS A 93 27.764 -51.122 -60.813 1.00 14.54 C ATOM 1364 CD LYS A 93 28.993 -51.026 -59.924 1.00 74.21 C ATOM 1365 CE LYS A 93 28.819 -51.829 -58.644 1.00 55.00 C ATOM 1366 NZ LYS A 93 27.805 -51.219 -57.740 1.00 54.31 N ATOM 0 H LYS A 93 28.874 -53.044 -64.086 1.00 44.45 H new ATOM 0 HA LYS A 93 26.998 -50.970 -63.588 1.00 31.41 H new ATOM 0 HB2 LYS A 93 27.241 -52.796 -62.035 1.00 74.03 H new ATOM 0 HB3 LYS A 93 28.967 -52.531 -61.881 1.00 74.03 H new ATOM 0 HG2 LYS A 93 27.485 -50.126 -61.158 1.00 14.54 H new ATOM 0 HG3 LYS A 93 26.924 -51.505 -60.234 1.00 14.54 H new ATOM 0 HD2 LYS A 93 29.865 -51.389 -60.467 1.00 74.21 H new ATOM 0 HD3 LYS A 93 29.184 -49.982 -59.677 1.00 74.21 H new ATOM 0 HE2 LYS A 93 28.519 -52.847 -58.892 1.00 55.00 H new ATOM 0 HE3 LYS A 93 29.775 -51.896 -58.125 1.00 55.00 H new ATOM 0 HZ1 LYS A 93 27.947 -51.570 -56.772 1.00 54.31 H new ATOM 0 HZ2 LYS A 93 27.908 -50.184 -57.751 1.00 54.31 H new ATOM 0 HZ3 LYS A 93 26.851 -51.476 -58.065 1.00 54.31 H new ATOM 1380 N ARG A 94 30.200 -50.239 -63.188 1.00 52.44 N ATOM 1381 CA ARG A 94 31.142 -49.131 -63.089 1.00 4.10 C ATOM 1382 C ARG A 94 31.146 -48.304 -64.371 1.00 42.51 C ATOM 1383 O ARG A 94 31.075 -47.075 -64.330 1.00 1.21 O ATOM 1384 CB ARG A 94 32.551 -49.656 -62.804 1.00 13.31 C ATOM 1385 CG ARG A 94 32.823 -49.900 -61.328 1.00 53.45 C ATOM 1386 CD ARG A 94 33.879 -48.946 -60.792 1.00 21.52 C ATOM 1387 NE ARG A 94 33.547 -47.551 -61.066 1.00 44.03 N ATOM 1388 CZ ARG A 94 32.704 -46.837 -60.329 1.00 31.41 C ATOM 1389 NH1 ARG A 94 32.110 -47.385 -59.278 1.00 23.35 N ATOM 1390 NH2 ARG A 94 32.453 -45.573 -60.642 1.00 40.33 N ATOM 0 H ARG A 94 30.634 -51.162 -63.209 1.00 52.44 H new ATOM 0 HA ARG A 94 30.826 -48.491 -62.265 1.00 4.10 H new ATOM 0 HB2 ARG A 94 32.700 -50.587 -63.351 1.00 13.31 H new ATOM 0 HB3 ARG A 94 33.280 -48.941 -63.186 1.00 13.31 H new ATOM 0 HG2 ARG A 94 31.900 -49.778 -60.762 1.00 53.45 H new ATOM 0 HG3 ARG A 94 33.153 -50.929 -61.183 1.00 53.45 H new ATOM 0 HD2 ARG A 94 33.984 -49.089 -59.717 1.00 21.52 H new ATOM 0 HD3 ARG A 94 34.843 -49.184 -61.241 1.00 21.52 H new ATOM 0 HE ARG A 94 33.987 -47.100 -61.868 1.00 44.03 H new ATOM 0 HH11 ARG A 94 32.300 -48.357 -59.034 1.00 23.35 H new ATOM 0 HH12 ARG A 94 31.463 -46.835 -58.713 1.00 23.35 H new ATOM 0 HH21 ARG A 94 32.908 -45.148 -61.450 1.00 40.33 H new ATOM 0 HH22 ARG A 94 31.805 -45.026 -60.075 1.00 40.33 H new ATOM 1404 N HIS A 95 31.230 -48.985 -65.509 1.00 62.41 N ATOM 1405 CA HIS A 95 31.243 -48.314 -66.804 1.00 3.43 C ATOM 1406 C HIS A 95 29.972 -47.495 -67.004 1.00 15.12 C ATOM 1407 O HIS A 95 30.001 -46.424 -67.610 1.00 22.31 O ATOM 1408 CB HIS A 95 31.388 -49.336 -67.931 1.00 61.22 C ATOM 1409 CG HIS A 95 31.081 -48.780 -69.287 1.00 43.25 C ATOM 1410 ND1 HIS A 95 30.353 -49.467 -70.236 1.00 2.03 N ATOM 1411 CD2 HIS A 95 31.407 -47.594 -69.852 1.00 51.42 C ATOM 1412 CE1 HIS A 95 30.246 -48.728 -71.326 1.00 32.24 C ATOM 1413 NE2 HIS A 95 30.876 -47.586 -71.119 1.00 23.23 N ATOM 0 H HIS A 95 31.290 -50.002 -65.561 1.00 62.41 H new ATOM 0 HA HIS A 95 32.097 -47.637 -66.826 1.00 3.43 H new ATOM 0 HB2 HIS A 95 32.406 -49.725 -67.929 1.00 61.22 H new ATOM 0 HB3 HIS A 95 30.725 -50.178 -67.734 1.00 61.22 H new ATOM 0 HD1 HIS A 95 29.959 -50.400 -70.115 1.00 2.03 H new ATOM 0 HD2 HIS A 95 31.978 -46.801 -69.392 1.00 51.42 H new ATOM 0 HE1 HIS A 95 29.731 -49.010 -72.232 1.00 32.24 H new ATOM 1421 N GLN A 96 28.857 -48.007 -66.491 1.00 42.31 N ATOM 1422 CA GLN A 96 27.575 -47.323 -66.615 1.00 44.15 C ATOM 1423 C GLN A 96 27.513 -46.111 -65.692 1.00 43.42 C ATOM 1424 O GLN A 96 26.904 -45.094 -66.026 1.00 14.44 O ATOM 1425 CB GLN A 96 26.428 -48.283 -66.294 1.00 42.54 C ATOM 1426 CG GLN A 96 25.082 -47.593 -66.147 1.00 35.13 C ATOM 1427 CD GLN A 96 23.994 -48.254 -66.970 1.00 71.31 C ATOM 1428 OE1 GLN A 96 23.797 -47.924 -68.140 1.00 0.42 O ATOM 1429 NE2 GLN A 96 23.280 -49.195 -66.363 1.00 23.04 N ATOM 0 H GLN A 96 28.816 -48.892 -65.986 1.00 42.31 H new ATOM 0 HA GLN A 96 27.474 -46.978 -67.644 1.00 44.15 H new ATOM 0 HB2 GLN A 96 26.359 -49.031 -67.084 1.00 42.54 H new ATOM 0 HB3 GLN A 96 26.657 -48.815 -65.370 1.00 42.54 H new ATOM 0 HG2 GLN A 96 24.790 -47.595 -65.097 1.00 35.13 H new ATOM 0 HG3 GLN A 96 25.178 -46.550 -66.449 1.00 35.13 H new ATOM 0 HE21 GLN A 96 23.477 -49.438 -65.392 1.00 23.04 H new ATOM 0 HE22 GLN A 96 22.535 -49.675 -66.868 1.00 23.04 H new ATOM 1438 N LEU A 97 28.147 -46.225 -64.530 1.00 43.05 N ATOM 1439 CA LEU A 97 28.164 -45.138 -63.558 1.00 2.13 C ATOM 1440 C LEU A 97 28.833 -43.897 -64.140 1.00 14.41 C ATOM 1441 O LEU A 97 28.288 -42.795 -64.067 1.00 40.41 O ATOM 1442 CB LEU A 97 28.894 -45.576 -62.287 1.00 3.32 C ATOM 1443 CG LEU A 97 28.140 -46.550 -61.381 1.00 62.35 C ATOM 1444 CD1 LEU A 97 29.115 -47.446 -60.632 1.00 54.13 C ATOM 1445 CD2 LEU A 97 27.251 -45.793 -60.406 1.00 1.10 C ATOM 0 H LEU A 97 28.656 -47.059 -64.238 1.00 43.05 H new ATOM 0 HA LEU A 97 27.132 -44.889 -63.310 1.00 2.13 H new ATOM 0 HB2 LEU A 97 29.839 -46.037 -62.575 1.00 3.32 H new ATOM 0 HB3 LEU A 97 29.137 -44.686 -61.707 1.00 3.32 H new ATOM 0 HG LEU A 97 27.506 -47.180 -62.005 1.00 62.35 H new ATOM 0 HD11 LEU A 97 28.560 -48.132 -59.992 1.00 54.13 H new ATOM 0 HD12 LEU A 97 29.709 -48.016 -61.347 1.00 54.13 H new ATOM 0 HD13 LEU A 97 29.776 -46.833 -60.019 1.00 54.13 H new ATOM 0 HD21 LEU A 97 26.722 -46.503 -59.769 1.00 1.10 H new ATOM 0 HD22 LEU A 97 27.865 -45.138 -59.788 1.00 1.10 H new ATOM 0 HD23 LEU A 97 26.528 -45.195 -60.961 1.00 1.10 H new ATOM 1457 N ILE A 98 30.014 -44.084 -64.719 1.00 11.43 N ATOM 1458 CA ILE A 98 30.755 -42.980 -65.316 1.00 55.53 C ATOM 1459 C ILE A 98 30.262 -42.688 -66.730 1.00 31.52 C ATOM 1460 O ILE A 98 30.365 -41.561 -67.215 1.00 33.35 O ATOM 1461 CB ILE A 98 32.265 -43.274 -65.362 1.00 24.51 C ATOM 1462 CG1 ILE A 98 32.541 -44.507 -66.226 1.00 32.15 C ATOM 1463 CG2 ILE A 98 32.809 -43.475 -63.955 1.00 14.30 C ATOM 1464 CD1 ILE A 98 34.004 -44.886 -66.289 1.00 11.10 C ATOM 0 H ILE A 98 30.478 -44.990 -64.787 1.00 11.43 H new ATOM 0 HA ILE A 98 30.583 -42.108 -64.686 1.00 55.53 H new ATOM 0 HB ILE A 98 32.773 -42.419 -65.809 1.00 24.51 H new ATOM 0 HG12 ILE A 98 31.972 -45.350 -65.834 1.00 32.15 H new ATOM 0 HG13 ILE A 98 32.178 -44.321 -67.237 1.00 32.15 H new ATOM 0 HG21 ILE A 98 33.878 -43.682 -64.004 1.00 14.30 H new ATOM 0 HG22 ILE A 98 32.641 -42.572 -63.368 1.00 14.30 H new ATOM 0 HG23 ILE A 98 32.298 -44.315 -63.484 1.00 14.30 H new ATOM 0 HD11 ILE A 98 34.125 -45.768 -66.918 1.00 11.10 H new ATOM 0 HD12 ILE A 98 34.576 -44.059 -66.710 1.00 11.10 H new ATOM 0 HD13 ILE A 98 34.367 -45.105 -65.285 1.00 11.10 H new ATOM 1476 N TYR A 99 29.725 -43.711 -67.386 1.00 22.44 N ATOM 1477 CA TYR A 99 29.217 -43.566 -68.744 1.00 54.03 C ATOM 1478 C TYR A 99 30.109 -42.638 -69.564 1.00 33.54 C ATOM 1479 O TYR A 99 29.627 -41.722 -70.228 1.00 71.01 O ATOM 1480 CB TYR A 99 27.786 -43.026 -68.721 1.00 13.25 C ATOM 1481 CG TYR A 99 27.624 -41.776 -67.885 1.00 41.12 C ATOM 1482 CD1 TYR A 99 27.336 -41.856 -66.528 1.00 62.32 C ATOM 1483 CD2 TYR A 99 27.758 -40.515 -68.453 1.00 2.12 C ATOM 1484 CE1 TYR A 99 27.187 -40.717 -65.761 1.00 71.10 C ATOM 1485 CE2 TYR A 99 27.612 -39.370 -67.693 1.00 61.50 C ATOM 1486 CZ TYR A 99 27.326 -39.477 -66.348 1.00 4.31 C ATOM 1487 OH TYR A 99 27.179 -38.339 -65.588 1.00 13.00 O ATOM 0 H TYR A 99 29.631 -44.650 -66.999 1.00 22.44 H new ATOM 0 HA TYR A 99 29.220 -44.550 -69.212 1.00 54.03 H new ATOM 0 HB2 TYR A 99 27.470 -42.813 -69.742 1.00 13.25 H new ATOM 0 HB3 TYR A 99 27.121 -43.799 -68.336 1.00 13.25 H new ATOM 0 HD1 TYR A 99 27.227 -42.826 -66.065 1.00 62.32 H new ATOM 0 HD2 TYR A 99 27.980 -40.428 -69.506 1.00 2.12 H new ATOM 0 HE1 TYR A 99 26.963 -40.797 -64.708 1.00 71.10 H new ATOM 0 HE2 TYR A 99 27.721 -38.397 -68.150 1.00 61.50 H new ATOM 0 HH TYR A 99 27.309 -37.549 -66.153 1.00 13.00 H new ATOM 1497 N GLY A 100 31.414 -42.885 -69.511 1.00 3.20 N ATOM 1498 CA GLY A 100 32.354 -42.065 -70.252 1.00 45.33 C ATOM 1499 C GLY A 100 32.699 -42.656 -71.605 1.00 21.43 C ATOM 1500 O GLY A 100 32.875 -41.928 -72.583 1.00 34.42 O ATOM 0 H GLY A 100 31.837 -43.638 -68.968 1.00 3.20 H new ATOM 0 HA2 GLY A 100 31.932 -41.070 -70.391 1.00 45.33 H new ATOM 0 HA3 GLY A 100 33.266 -41.946 -69.668 1.00 45.33 H new ATOM 1504 N LEU A 101 32.798 -43.980 -71.662 1.00 2.23 N ATOM 1505 CA LEU A 101 33.126 -44.670 -72.905 1.00 2.35 C ATOM 1506 C LEU A 101 31.921 -44.713 -73.838 1.00 15.21 C ATOM 1507 O LEU A 101 31.384 -45.783 -74.127 1.00 15.00 O ATOM 1508 CB LEU A 101 33.608 -46.091 -72.610 1.00 24.21 C ATOM 1509 CG LEU A 101 34.545 -46.711 -73.648 1.00 0.23 C ATOM 1510 CD1 LEU A 101 33.766 -47.141 -74.881 1.00 13.32 C ATOM 1511 CD2 LEU A 101 35.646 -45.731 -74.025 1.00 50.52 C ATOM 0 H LEU A 101 32.656 -44.597 -70.862 1.00 2.23 H new ATOM 0 HA LEU A 101 33.925 -44.117 -73.399 1.00 2.35 H new ATOM 0 HB2 LEU A 101 34.117 -46.088 -71.646 1.00 24.21 H new ATOM 0 HB3 LEU A 101 32.735 -46.735 -72.507 1.00 24.21 H new ATOM 0 HG LEU A 101 35.008 -47.595 -73.210 1.00 0.23 H new ATOM 0 HD11 LEU A 101 34.449 -47.580 -75.608 1.00 13.32 H new ATOM 0 HD12 LEU A 101 33.015 -47.878 -74.598 1.00 13.32 H new ATOM 0 HD13 LEU A 101 33.275 -46.274 -75.322 1.00 13.32 H new ATOM 0 HD21 LEU A 101 36.303 -46.189 -74.764 1.00 50.52 H new ATOM 0 HD22 LEU A 101 35.202 -44.828 -74.444 1.00 50.52 H new ATOM 0 HD23 LEU A 101 36.223 -45.473 -73.137 1.00 50.52 H new ATOM 1523 N LEU A 102 31.501 -43.543 -74.308 1.00 70.41 N ATOM 1524 CA LEU A 102 30.360 -43.447 -75.212 1.00 14.05 C ATOM 1525 C LEU A 102 30.013 -41.989 -75.497 1.00 34.32 C ATOM 1526 O LEU A 102 28.888 -41.550 -75.255 1.00 45.31 O ATOM 1527 CB LEU A 102 29.148 -44.164 -74.613 1.00 2.22 C ATOM 1528 CG LEU A 102 28.929 -43.972 -73.112 1.00 21.03 C ATOM 1529 CD1 LEU A 102 27.538 -43.420 -72.841 1.00 71.35 C ATOM 1530 CD2 LEU A 102 29.138 -45.284 -72.370 1.00 74.53 C ATOM 0 H LEU A 102 31.933 -42.648 -74.078 1.00 70.41 H new ATOM 0 HA LEU A 102 30.631 -43.928 -76.152 1.00 14.05 H new ATOM 0 HB2 LEU A 102 28.255 -43.824 -75.137 1.00 2.22 H new ATOM 0 HB3 LEU A 102 29.247 -45.231 -74.812 1.00 2.22 H new ATOM 0 HG LEU A 102 29.661 -43.251 -72.747 1.00 21.03 H new ATOM 0 HD11 LEU A 102 27.401 -43.290 -71.767 1.00 71.35 H new ATOM 0 HD12 LEU A 102 27.425 -42.458 -73.340 1.00 71.35 H new ATOM 0 HD13 LEU A 102 26.790 -44.116 -73.221 1.00 71.35 H new ATOM 0 HD21 LEU A 102 28.978 -45.128 -71.303 1.00 74.53 H new ATOM 0 HD22 LEU A 102 28.431 -46.027 -72.738 1.00 74.53 H new ATOM 0 HD23 LEU A 102 30.155 -45.638 -72.536 1.00 74.53 H new ATOM 1542 N SER A 103 30.985 -41.245 -76.014 1.00 72.23 N ATOM 1543 CA SER A 103 30.783 -39.836 -76.331 1.00 73.35 C ATOM 1544 C SER A 103 31.834 -39.347 -77.323 1.00 12.50 C ATOM 1545 O SER A 103 31.548 -39.158 -78.506 1.00 34.45 O ATOM 1546 CB SER A 103 30.835 -38.992 -75.057 1.00 22.14 C ATOM 1547 OG SER A 103 31.226 -39.775 -73.942 1.00 72.31 O ATOM 0 H SER A 103 31.920 -41.594 -76.222 1.00 72.23 H new ATOM 0 HA SER A 103 29.799 -39.729 -76.788 1.00 73.35 H new ATOM 0 HB2 SER A 103 31.536 -38.169 -75.191 1.00 22.14 H new ATOM 0 HB3 SER A 103 29.856 -38.550 -74.870 1.00 22.14 H new ATOM 0 HG SER A 103 31.253 -39.212 -73.140 1.00 72.31 H new ATOM 1553 N ASP A 104 33.051 -39.142 -76.832 1.00 21.01 N ATOM 1554 CA ASP A 104 34.147 -38.675 -77.674 1.00 34.04 C ATOM 1555 C ASP A 104 34.457 -39.687 -78.773 1.00 12.45 C ATOM 1556 O ASP A 104 34.719 -39.314 -79.916 1.00 30.04 O ATOM 1557 CB ASP A 104 35.396 -38.423 -76.828 1.00 52.41 C ATOM 1558 CG ASP A 104 36.324 -37.403 -77.457 1.00 43.42 C ATOM 1559 OD1 ASP A 104 35.872 -36.663 -78.356 1.00 12.40 O ATOM 1560 OD2 ASP A 104 37.503 -37.344 -77.050 1.00 42.42 O ATOM 0 H ASP A 104 33.304 -39.292 -75.855 1.00 21.01 H new ATOM 0 HA ASP A 104 33.840 -37.740 -78.142 1.00 34.04 H new ATOM 0 HB2 ASP A 104 35.097 -38.077 -75.838 1.00 52.41 H new ATOM 0 HB3 ASP A 104 35.933 -39.361 -76.689 1.00 52.41 H new ATOM 1565 N GLU A 105 34.426 -40.967 -78.417 1.00 71.20 N ATOM 1566 CA GLU A 105 34.706 -42.032 -79.373 1.00 50.24 C ATOM 1567 C GLU A 105 33.831 -41.891 -80.616 1.00 32.24 C ATOM 1568 O GLU A 105 34.231 -42.269 -81.717 1.00 22.42 O ATOM 1569 CB GLU A 105 34.478 -43.400 -78.728 1.00 64.30 C ATOM 1570 CG GLU A 105 33.501 -44.278 -79.492 1.00 24.55 C ATOM 1571 CD GLU A 105 33.210 -45.584 -78.778 1.00 33.13 C ATOM 1572 OE1 GLU A 105 32.811 -45.537 -77.595 1.00 51.30 O ATOM 1573 OE2 GLU A 105 33.380 -46.653 -79.401 1.00 4.43 O ATOM 0 H GLU A 105 34.210 -41.292 -77.474 1.00 71.20 H new ATOM 0 HA GLU A 105 35.751 -41.950 -79.674 1.00 50.24 H new ATOM 0 HB2 GLU A 105 35.433 -43.918 -78.648 1.00 64.30 H new ATOM 0 HB3 GLU A 105 34.107 -43.257 -77.713 1.00 64.30 H new ATOM 0 HG2 GLU A 105 32.568 -43.734 -79.640 1.00 24.55 H new ATOM 0 HG3 GLU A 105 33.907 -44.491 -80.481 1.00 24.55 H new ATOM 1580 N PHE A 106 32.634 -41.345 -80.430 1.00 34.30 N ATOM 1581 CA PHE A 106 31.700 -41.156 -81.534 1.00 42.23 C ATOM 1582 C PHE A 106 32.152 -40.012 -82.438 1.00 32.20 C ATOM 1583 O PHE A 106 32.110 -40.120 -83.664 1.00 35.03 O ATOM 1584 CB PHE A 106 30.295 -40.874 -80.999 1.00 52.53 C ATOM 1585 CG PHE A 106 29.598 -42.095 -80.472 1.00 55.00 C ATOM 1586 CD1 PHE A 106 28.924 -42.949 -81.330 1.00 61.12 C ATOM 1587 CD2 PHE A 106 29.615 -42.389 -79.118 1.00 42.40 C ATOM 1588 CE1 PHE A 106 28.282 -44.074 -80.848 1.00 73.23 C ATOM 1589 CE2 PHE A 106 28.975 -43.512 -78.630 1.00 61.35 C ATOM 1590 CZ PHE A 106 28.307 -44.355 -79.496 1.00 75.44 C ATOM 0 H PHE A 106 32.288 -41.026 -79.525 1.00 34.30 H new ATOM 0 HA PHE A 106 31.679 -42.074 -82.121 1.00 42.23 H new ATOM 0 HB2 PHE A 106 30.360 -40.131 -80.204 1.00 52.53 H new ATOM 0 HB3 PHE A 106 29.693 -40.437 -81.795 1.00 52.53 H new ATOM 0 HD1 PHE A 106 28.900 -42.733 -82.388 1.00 61.12 H new ATOM 0 HD2 PHE A 106 30.135 -41.732 -78.436 1.00 42.40 H new ATOM 0 HE1 PHE A 106 27.761 -44.732 -81.528 1.00 73.23 H new ATOM 0 HE2 PHE A 106 28.997 -43.730 -77.573 1.00 61.35 H new ATOM 0 HZ PHE A 106 27.805 -45.233 -79.117 1.00 75.44 H new ATOM 1600 N LYS A 107 32.584 -38.916 -81.824 1.00 33.13 N ATOM 1601 CA LYS A 107 33.044 -37.751 -82.570 1.00 63.31 C ATOM 1602 C LYS A 107 34.219 -38.114 -83.474 1.00 14.44 C ATOM 1603 O LYS A 107 34.517 -37.404 -84.434 1.00 75.53 O ATOM 1604 CB LYS A 107 33.453 -36.633 -81.609 1.00 12.31 C ATOM 1605 CG LYS A 107 34.036 -35.415 -82.305 1.00 63.40 C ATOM 1606 CD LYS A 107 34.229 -34.259 -81.338 1.00 65.31 C ATOM 1607 CE LYS A 107 33.560 -32.991 -81.845 1.00 35.24 C ATOM 1608 NZ LYS A 107 34.050 -31.781 -81.129 1.00 1.11 N ATOM 0 H LYS A 107 32.625 -38.810 -80.810 1.00 33.13 H new ATOM 0 HA LYS A 107 32.221 -37.402 -83.194 1.00 63.31 H new ATOM 0 HB2 LYS A 107 32.582 -36.327 -81.029 1.00 12.31 H new ATOM 0 HB3 LYS A 107 34.186 -37.023 -80.902 1.00 12.31 H new ATOM 0 HG2 LYS A 107 34.993 -35.676 -82.757 1.00 63.40 H new ATOM 0 HG3 LYS A 107 33.375 -35.107 -83.115 1.00 63.40 H new ATOM 0 HD2 LYS A 107 33.817 -34.525 -80.365 1.00 65.31 H new ATOM 0 HD3 LYS A 107 35.294 -34.077 -81.194 1.00 65.31 H new ATOM 0 HE2 LYS A 107 33.749 -32.883 -82.913 1.00 35.24 H new ATOM 0 HE3 LYS A 107 32.480 -33.075 -81.720 1.00 35.24 H new ATOM 0 HZ1 LYS A 107 33.570 -30.938 -81.504 1.00 1.11 H new ATOM 0 HZ2 LYS A 107 33.847 -31.873 -80.113 1.00 1.11 H new ATOM 0 HZ3 LYS A 107 35.076 -31.686 -81.269 1.00 1.11 H new ATOM 1622 N ALA A 108 34.881 -39.222 -83.160 1.00 31.23 N ATOM 1623 CA ALA A 108 36.020 -39.680 -83.945 1.00 70.05 C ATOM 1624 C ALA A 108 35.583 -40.671 -85.020 1.00 5.54 C ATOM 1625 O ALA A 108 35.944 -40.533 -86.188 1.00 31.22 O ATOM 1626 CB ALA A 108 37.068 -40.309 -83.039 1.00 73.11 C ATOM 0 H ALA A 108 34.648 -39.820 -82.367 1.00 31.23 H new ATOM 0 HA ALA A 108 36.458 -38.815 -84.442 1.00 70.05 H new ATOM 0 HB1 ALA A 108 37.913 -40.646 -83.639 1.00 73.11 H new ATOM 0 HB2 ALA A 108 37.410 -39.572 -82.313 1.00 73.11 H new ATOM 0 HB3 ALA A 108 36.633 -41.160 -82.515 1.00 73.11 H new ATOM 1632 N GLY A 109 34.805 -41.670 -84.616 1.00 21.05 N ATOM 1633 CA GLY A 109 34.333 -42.670 -85.556 1.00 2.51 C ATOM 1634 C GLY A 109 35.057 -43.993 -85.408 1.00 5.23 C ATOM 1635 O GLY A 109 35.047 -44.821 -86.320 1.00 15.24 O ATOM 0 H GLY A 109 34.493 -41.805 -83.654 1.00 21.05 H new ATOM 0 HA2 GLY A 109 33.264 -42.826 -85.409 1.00 2.51 H new ATOM 0 HA3 GLY A 109 34.465 -42.299 -86.573 1.00 2.51 H new ATOM 1639 N LEU A 110 35.690 -44.193 -84.257 1.00 64.20 N ATOM 1640 CA LEU A 110 36.425 -45.425 -83.993 1.00 23.34 C ATOM 1641 C LEU A 110 35.834 -46.166 -82.798 1.00 21.25 C ATOM 1642 O LEU A 110 35.462 -45.554 -81.796 1.00 52.21 O ATOM 1643 CB LEU A 110 37.902 -45.117 -83.736 1.00 55.24 C ATOM 1644 CG LEU A 110 38.570 -44.164 -84.728 1.00 11.10 C ATOM 1645 CD1 LEU A 110 38.102 -44.454 -86.146 1.00 31.05 C ATOM 1646 CD2 LEU A 110 38.281 -42.717 -84.355 1.00 22.24 C ATOM 0 H LEU A 110 35.709 -43.518 -83.492 1.00 64.20 H new ATOM 0 HA LEU A 110 36.341 -46.064 -84.872 1.00 23.34 H new ATOM 0 HB2 LEU A 110 37.996 -44.693 -82.736 1.00 55.24 H new ATOM 0 HB3 LEU A 110 38.454 -46.057 -83.737 1.00 55.24 H new ATOM 0 HG LEU A 110 39.648 -44.322 -84.684 1.00 11.10 H new ATOM 0 HD11 LEU A 110 38.588 -43.766 -86.837 1.00 31.05 H new ATOM 0 HD12 LEU A 110 38.361 -45.479 -86.412 1.00 31.05 H new ATOM 0 HD13 LEU A 110 37.021 -44.325 -86.206 1.00 31.05 H new ATOM 0 HD21 LEU A 110 38.764 -42.053 -85.072 1.00 22.24 H new ATOM 0 HD22 LEU A 110 37.205 -42.545 -84.370 1.00 22.24 H new ATOM 0 HD23 LEU A 110 38.667 -42.515 -83.356 1.00 22.24 H new ATOM 1658 N HIS A 111 35.752 -47.488 -82.909 1.00 25.42 N ATOM 1659 CA HIS A 111 35.209 -48.314 -81.836 1.00 1.31 C ATOM 1660 C HIS A 111 35.933 -48.041 -80.521 1.00 13.43 C ATOM 1661 O HIS A 111 36.882 -47.259 -80.474 1.00 64.44 O ATOM 1662 CB HIS A 111 35.323 -49.795 -82.196 1.00 60.30 C ATOM 1663 CG HIS A 111 34.041 -50.392 -82.688 1.00 35.53 C ATOM 1664 ND1 HIS A 111 33.655 -51.685 -82.403 1.00 74.43 N ATOM 1665 CD2 HIS A 111 33.052 -49.865 -83.448 1.00 25.11 C ATOM 1666 CE1 HIS A 111 32.486 -51.928 -82.969 1.00 34.13 C ATOM 1667 NE2 HIS A 111 32.098 -50.839 -83.608 1.00 61.33 N ATOM 0 H HIS A 111 36.055 -48.010 -83.731 1.00 25.42 H new ATOM 0 HA HIS A 111 34.157 -48.058 -81.711 1.00 1.31 H new ATOM 0 HB2 HIS A 111 36.088 -49.916 -82.963 1.00 60.30 H new ATOM 0 HB3 HIS A 111 35.659 -50.349 -81.319 1.00 60.30 H new ATOM 0 HD2 HIS A 111 33.020 -48.864 -83.853 1.00 25.11 H new ATOM 0 HE1 HIS A 111 31.941 -52.859 -82.918 1.00 34.13 H new ATOM 0 HE2 HIS A 111 31.230 -50.738 -84.135 1.00 61.33 H new ATOM 1675 N ALA A 112 35.476 -48.689 -79.454 1.00 64.12 N ATOM 1676 CA ALA A 112 36.081 -48.517 -78.139 1.00 51.10 C ATOM 1677 C ALA A 112 35.778 -49.707 -77.235 1.00 72.34 C ATOM 1678 O ALA A 112 34.817 -50.444 -77.463 1.00 63.12 O ATOM 1679 CB ALA A 112 35.591 -47.227 -77.498 1.00 3.12 C ATOM 0 H ALA A 112 34.689 -49.338 -79.475 1.00 64.12 H new ATOM 0 HA ALA A 112 37.162 -48.459 -78.268 1.00 51.10 H new ATOM 0 HB1 ALA A 112 36.051 -47.111 -76.516 1.00 3.12 H new ATOM 0 HB2 ALA A 112 35.864 -46.381 -78.129 1.00 3.12 H new ATOM 0 HB3 ALA A 112 34.507 -47.264 -77.389 1.00 3.12 H new ATOM 1685 N LEU A 113 36.602 -49.891 -76.210 1.00 44.22 N ATOM 1686 CA LEU A 113 36.423 -50.993 -75.272 1.00 32.22 C ATOM 1687 C LEU A 113 36.278 -50.475 -73.844 1.00 62.14 C ATOM 1688 O LEU A 113 37.082 -49.666 -73.383 1.00 0.30 O ATOM 1689 CB LEU A 113 37.605 -51.960 -75.358 1.00 70.21 C ATOM 1690 CG LEU A 113 38.982 -51.322 -75.547 1.00 33.04 C ATOM 1691 CD1 LEU A 113 39.994 -51.947 -74.599 1.00 12.52 C ATOM 1692 CD2 LEU A 113 39.442 -51.464 -76.990 1.00 40.32 C ATOM 0 H LEU A 113 37.401 -49.291 -76.007 1.00 44.22 H new ATOM 0 HA LEU A 113 35.509 -51.522 -75.542 1.00 32.22 H new ATOM 0 HB2 LEU A 113 37.626 -52.558 -74.447 1.00 70.21 H new ATOM 0 HB3 LEU A 113 37.428 -52.646 -76.186 1.00 70.21 H new ATOM 0 HG LEU A 113 38.904 -50.260 -75.314 1.00 33.04 H new ATOM 0 HD11 LEU A 113 40.968 -51.481 -74.748 1.00 12.52 H new ATOM 0 HD12 LEU A 113 39.671 -51.793 -73.569 1.00 12.52 H new ATOM 0 HD13 LEU A 113 40.069 -53.016 -74.800 1.00 12.52 H new ATOM 0 HD21 LEU A 113 40.424 -51.004 -77.106 1.00 40.32 H new ATOM 0 HD22 LEU A 113 39.503 -52.521 -77.250 1.00 40.32 H new ATOM 0 HD23 LEU A 113 38.729 -50.969 -77.649 1.00 40.32 H new ATOM 1704 N ALA A 114 35.249 -50.949 -73.150 1.00 21.22 N ATOM 1705 CA ALA A 114 35.002 -50.537 -71.774 1.00 33.23 C ATOM 1706 C ALA A 114 35.091 -51.724 -70.821 1.00 33.42 C ATOM 1707 O ALA A 114 34.248 -52.621 -70.851 1.00 41.10 O ATOM 1708 CB ALA A 114 33.640 -49.868 -71.660 1.00 2.41 C ATOM 0 H ALA A 114 34.573 -51.618 -73.518 1.00 21.22 H new ATOM 0 HA ALA A 114 35.772 -49.819 -71.492 1.00 33.23 H new ATOM 0 HB1 ALA A 114 33.469 -49.565 -70.627 1.00 2.41 H new ATOM 0 HB2 ALA A 114 33.611 -48.990 -72.305 1.00 2.41 H new ATOM 0 HB3 ALA A 114 32.864 -50.569 -71.966 1.00 2.41 H new ATOM 1714 N MET A 115 36.117 -51.724 -69.976 1.00 50.15 N ATOM 1715 CA MET A 115 36.315 -52.802 -69.014 1.00 50.32 C ATOM 1716 C MET A 115 36.754 -52.249 -67.662 1.00 20.21 C ATOM 1717 O MET A 115 37.804 -51.616 -67.549 1.00 63.11 O ATOM 1718 CB MET A 115 37.356 -53.794 -69.535 1.00 61.41 C ATOM 1719 CG MET A 115 37.750 -53.557 -70.984 1.00 24.21 C ATOM 1720 SD MET A 115 38.700 -54.924 -71.678 1.00 12.11 S ATOM 1721 CE MET A 115 37.592 -55.485 -72.968 1.00 74.32 C ATOM 0 H MET A 115 36.824 -50.990 -69.938 1.00 50.15 H new ATOM 0 HA MET A 115 35.364 -53.319 -68.884 1.00 50.32 H new ATOM 0 HB2 MET A 115 38.247 -53.734 -68.910 1.00 61.41 H new ATOM 0 HB3 MET A 115 36.964 -54.806 -69.435 1.00 61.41 H new ATOM 0 HG2 MET A 115 36.851 -53.405 -71.581 1.00 24.21 H new ATOM 0 HG3 MET A 115 38.336 -52.641 -71.052 1.00 24.21 H new ATOM 0 HE1 MET A 115 37.881 -56.487 -73.285 1.00 74.32 H new ATOM 0 HE2 MET A 115 36.571 -55.505 -72.587 1.00 74.32 H new ATOM 0 HE3 MET A 115 37.649 -54.805 -73.818 1.00 74.32 H new ATOM 1731 N THR A 116 35.943 -52.492 -66.637 1.00 23.44 N ATOM 1732 CA THR A 116 36.247 -52.018 -65.293 1.00 24.14 C ATOM 1733 C THR A 116 36.325 -53.177 -64.305 1.00 42.21 C ATOM 1734 O THR A 116 35.476 -54.069 -64.309 1.00 51.44 O ATOM 1735 CB THR A 116 35.192 -51.009 -64.801 1.00 24.23 C ATOM 1736 OG1 THR A 116 34.877 -51.261 -63.427 1.00 33.11 O ATOM 1737 CG2 THR A 116 33.927 -51.096 -65.641 1.00 64.12 C ATOM 0 H THR A 116 35.070 -53.015 -66.712 1.00 23.44 H new ATOM 0 HA THR A 116 37.217 -51.523 -65.345 1.00 24.14 H new ATOM 0 HB THR A 116 35.606 -50.006 -64.900 1.00 24.23 H new ATOM 0 HG1 THR A 116 34.197 -51.965 -63.371 1.00 33.11 H new ATOM 0 HG21 THR A 116 33.197 -50.374 -65.275 1.00 64.12 H new ATOM 0 HG22 THR A 116 34.165 -50.875 -66.681 1.00 64.12 H new ATOM 0 HG23 THR A 116 33.511 -52.101 -65.570 1.00 64.12 H new ATOM 1745 N THR A 117 37.349 -53.158 -63.458 1.00 24.44 N ATOM 1746 CA THR A 117 37.538 -54.208 -62.464 1.00 43.12 C ATOM 1747 C THR A 117 37.539 -53.634 -61.052 1.00 24.42 C ATOM 1748 O THR A 117 38.474 -52.938 -60.654 1.00 33.22 O ATOM 1749 CB THR A 117 38.856 -54.971 -62.697 1.00 73.41 C ATOM 1750 OG1 THR A 117 39.181 -55.751 -61.541 1.00 3.44 O ATOM 1751 CG2 THR A 117 39.993 -54.008 -63.002 1.00 73.14 C ATOM 0 H THR A 117 38.060 -52.427 -63.440 1.00 24.44 H new ATOM 0 HA THR A 117 36.702 -54.900 -62.571 1.00 43.12 H new ATOM 0 HB THR A 117 38.721 -55.631 -63.554 1.00 73.41 H new ATOM 0 HG1 THR A 117 40.019 -56.234 -61.697 1.00 3.44 H new ATOM 0 HG21 THR A 117 40.913 -54.570 -63.163 1.00 73.14 H new ATOM 0 HG22 THR A 117 39.755 -53.437 -63.900 1.00 73.14 H new ATOM 0 HG23 THR A 117 40.127 -53.326 -62.163 1.00 73.14 H new ATOM 1759 N LYS A 118 36.487 -53.931 -60.297 1.00 21.22 N ATOM 1760 CA LYS A 118 36.367 -53.447 -58.927 1.00 13.02 C ATOM 1761 C LYS A 118 36.012 -54.586 -57.976 1.00 53.04 C ATOM 1762 O LYS A 118 35.262 -55.496 -58.333 1.00 1.20 O ATOM 1763 CB LYS A 118 35.304 -52.349 -58.844 1.00 31.14 C ATOM 1764 CG LYS A 118 35.087 -51.818 -57.437 1.00 50.23 C ATOM 1765 CD LYS A 118 33.735 -52.237 -56.885 1.00 52.13 C ATOM 1766 CE LYS A 118 32.696 -51.140 -57.063 1.00 30.31 C ATOM 1767 NZ LYS A 118 31.888 -50.936 -55.829 1.00 22.14 N ATOM 0 H LYS A 118 35.705 -54.505 -60.611 1.00 21.22 H new ATOM 0 HA LYS A 118 37.331 -53.035 -58.628 1.00 13.02 H new ATOM 0 HB2 LYS A 118 35.594 -51.524 -59.494 1.00 31.14 H new ATOM 0 HB3 LYS A 118 34.360 -52.739 -59.226 1.00 31.14 H new ATOM 0 HG2 LYS A 118 35.878 -52.185 -56.783 1.00 50.23 H new ATOM 0 HG3 LYS A 118 35.157 -50.730 -57.443 1.00 50.23 H new ATOM 0 HD2 LYS A 118 33.399 -53.143 -57.390 1.00 52.13 H new ATOM 0 HD3 LYS A 118 33.832 -52.479 -55.827 1.00 52.13 H new ATOM 0 HE2 LYS A 118 33.194 -50.208 -57.329 1.00 30.31 H new ATOM 0 HE3 LYS A 118 32.036 -51.396 -57.891 1.00 30.31 H new ATOM 0 HZ1 LYS A 118 31.192 -50.181 -55.991 1.00 22.14 H new ATOM 0 HZ2 LYS A 118 31.392 -51.818 -55.589 1.00 22.14 H new ATOM 0 HZ3 LYS A 118 32.515 -50.666 -55.044 1.00 22.14 H new ATOM 1781 N THR A 119 36.554 -54.530 -56.764 1.00 15.44 N ATOM 1782 CA THR A 119 36.294 -55.556 -55.762 1.00 14.20 C ATOM 1783 C THR A 119 34.798 -55.799 -55.599 1.00 14.30 C ATOM 1784 O THR A 119 33.967 -54.959 -55.945 1.00 15.22 O ATOM 1785 CB THR A 119 36.892 -55.171 -54.395 1.00 74.35 C ATOM 1786 OG1 THR A 119 36.805 -53.755 -54.204 1.00 43.10 O ATOM 1787 CG2 THR A 119 38.344 -55.614 -54.296 1.00 54.04 C ATOM 0 H THR A 119 37.176 -53.784 -56.452 1.00 15.44 H new ATOM 0 HA THR A 119 36.771 -56.470 -56.115 1.00 14.20 H new ATOM 0 HB THR A 119 36.321 -55.677 -53.617 1.00 74.35 H new ATOM 0 HG1 THR A 119 37.185 -53.518 -53.332 1.00 43.10 H new ATOM 0 HG21 THR A 119 38.745 -55.332 -53.323 1.00 54.04 H new ATOM 0 HG22 THR A 119 38.403 -56.696 -54.413 1.00 54.04 H new ATOM 0 HG23 THR A 119 38.926 -55.132 -55.082 1.00 54.04 H new