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 37:sc= -0.105! USER MOD Set 1.2: A 83 SER OG : rot -71:sc= -0.567 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -126:sc= 0.693 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 45 SER OG : rot 180:sc= 0.066 USER MOD Single : A 48 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.41) USER MOD Single : A 55 SER OG : rot 107:sc= 0.0823 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -31:sc= -0.369 USER MOD Single : A 76 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-2.3) 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 163:sc= -3.57! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-1.8!) 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 -122:sc= 0.0403 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.022) USER MOD Single : A 115 MET CE :methyl -136:sc= -1.62 (180deg=-4.38!) USER MOD Single : A 116 THR OG1 : rot -141:sc= -2.06 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0745 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 33.390 -46.713 -63.481 1.00 24.41 N ATOM 472 CA ALA A 33 33.779 -47.038 -64.848 1.00 32.33 C ATOM 473 C ALA A 33 33.825 -48.547 -65.061 1.00 73.44 C ATOM 474 O ALA A 33 34.745 -49.222 -64.602 1.00 2.34 O ATOM 475 CB ALA A 33 35.128 -46.416 -65.175 1.00 40.31 C ATOM 0 HA ALA A 33 33.028 -46.625 -65.521 1.00 32.33 H new ATOM 0 HB1 ALA A 33 35.406 -46.667 -66.199 1.00 40.31 H new ATOM 0 HB2 ALA A 33 35.064 -45.333 -65.072 1.00 40.31 H new ATOM 0 HB3 ALA A 33 35.882 -46.802 -64.489 1.00 40.31 H new ATOM 481 N GLY A 34 32.824 -49.072 -65.762 1.00 72.12 N ATOM 482 CA GLY A 34 32.769 -50.499 -66.024 1.00 1.45 C ATOM 483 C GLY A 34 34.055 -51.027 -66.628 1.00 31.12 C ATOM 484 O GLY A 34 34.504 -52.121 -66.288 1.00 24.01 O ATOM 0 H GLY A 34 32.050 -48.535 -66.153 1.00 72.12 H new ATOM 0 HA2 GLY A 34 32.564 -51.029 -65.094 1.00 1.45 H new ATOM 0 HA3 GLY A 34 31.940 -50.710 -66.700 1.00 1.45 H new ATOM 488 N ALA A 35 34.647 -50.249 -67.528 1.00 25.13 N ATOM 489 CA ALA A 35 35.889 -50.645 -68.180 1.00 62.04 C ATOM 490 C ALA A 35 37.014 -50.813 -67.164 1.00 71.45 C ATOM 491 O ALA A 35 37.955 -51.575 -67.388 1.00 24.04 O ATOM 492 CB ALA A 35 36.279 -49.623 -69.238 1.00 10.44 C ATOM 0 H ALA A 35 34.287 -49.341 -67.822 1.00 25.13 H new ATOM 0 HA ALA A 35 35.725 -51.608 -68.664 1.00 62.04 H new ATOM 0 HB1 ALA A 35 37.208 -49.931 -69.717 1.00 10.44 H new ATOM 0 HB2 ALA A 35 35.490 -49.555 -69.987 1.00 10.44 H new ATOM 0 HB3 ALA A 35 36.418 -48.649 -68.769 1.00 10.44 H new ATOM 498 N ILE A 36 36.910 -50.098 -66.050 1.00 11.13 N ATOM 499 CA ILE A 36 37.919 -50.169 -65.000 1.00 33.20 C ATOM 500 C ILE A 36 38.198 -51.615 -64.603 1.00 12.20 C ATOM 501 O ILE A 36 39.311 -51.957 -64.203 1.00 51.02 O ATOM 502 CB ILE A 36 37.487 -49.380 -63.750 1.00 43.51 C ATOM 503 CG1 ILE A 36 38.714 -48.834 -63.016 1.00 50.22 C ATOM 504 CG2 ILE A 36 36.659 -50.261 -62.827 1.00 4.44 C ATOM 505 CD1 ILE A 36 38.659 -47.342 -62.774 1.00 42.44 C ATOM 0 H ILE A 36 36.137 -49.463 -65.851 1.00 11.13 H new ATOM 0 HA ILE A 36 38.828 -49.724 -65.405 1.00 33.20 H new ATOM 0 HB ILE A 36 36.871 -48.538 -64.065 1.00 43.51 H new ATOM 0 HG12 ILE A 36 38.812 -49.346 -62.059 1.00 50.22 H new ATOM 0 HG13 ILE A 36 39.607 -49.067 -63.595 1.00 50.22 H new ATOM 0 HG21 ILE A 36 36.361 -49.689 -61.948 1.00 4.44 H new ATOM 0 HG22 ILE A 36 35.769 -50.605 -63.354 1.00 4.44 H new ATOM 0 HG23 ILE A 36 37.252 -51.121 -62.516 1.00 4.44 H new ATOM 0 HD11 ILE A 36 39.561 -47.025 -62.250 1.00 42.44 H new ATOM 0 HD12 ILE A 36 38.592 -46.821 -63.729 1.00 42.44 H new ATOM 0 HD13 ILE A 36 37.785 -47.104 -62.169 1.00 42.44 H new ATOM 517 N LYS A 37 37.180 -52.461 -64.717 1.00 72.05 N ATOM 518 CA LYS A 37 37.315 -53.872 -64.374 1.00 15.41 C ATOM 519 C LYS A 37 38.356 -54.550 -65.258 1.00 3.21 C ATOM 520 O LYS A 37 39.161 -55.351 -64.782 1.00 41.43 O ATOM 521 CB LYS A 37 35.967 -54.583 -64.517 1.00 64.51 C ATOM 522 CG LYS A 37 35.457 -55.186 -63.220 1.00 22.52 C ATOM 523 CD LYS A 37 35.743 -56.677 -63.147 1.00 60.13 C ATOM 524 CE LYS A 37 34.474 -57.497 -63.323 1.00 20.14 C ATOM 525 NZ LYS A 37 33.876 -57.880 -62.014 1.00 21.24 N ATOM 0 H LYS A 37 36.252 -52.194 -65.045 1.00 72.05 H new ATOM 0 HA LYS A 37 37.646 -53.939 -63.338 1.00 15.41 H new ATOM 0 HB2 LYS A 37 35.230 -53.874 -64.893 1.00 64.51 H new ATOM 0 HB3 LYS A 37 36.059 -55.372 -65.263 1.00 64.51 H new ATOM 0 HG2 LYS A 37 35.926 -54.683 -62.375 1.00 22.52 H new ATOM 0 HG3 LYS A 37 34.384 -55.016 -63.136 1.00 22.52 H new ATOM 0 HD2 LYS A 37 36.463 -56.949 -63.919 1.00 60.13 H new ATOM 0 HD3 LYS A 37 36.201 -56.914 -62.187 1.00 60.13 H new ATOM 0 HE2 LYS A 37 33.748 -56.924 -63.900 1.00 20.14 H new ATOM 0 HE3 LYS A 37 34.699 -58.396 -63.897 1.00 20.14 H new ATOM 0 HZ1 LYS A 37 33.013 -58.438 -62.176 1.00 21.24 H new ATOM 0 HZ2 LYS A 37 34.559 -58.448 -61.473 1.00 21.24 H new ATOM 0 HZ3 LYS A 37 33.638 -57.022 -61.477 1.00 21.24 H new ATOM 539 N SER A 38 38.336 -54.223 -66.546 1.00 41.21 N ATOM 540 CA SER A 38 39.278 -54.802 -67.497 1.00 33.42 C ATOM 541 C SER A 38 40.706 -54.374 -67.176 1.00 25.42 C ATOM 542 O SER A 38 41.631 -55.187 -67.202 1.00 45.41 O ATOM 543 CB SER A 38 38.917 -54.385 -68.924 1.00 15.14 C ATOM 544 OG SER A 38 37.727 -55.023 -69.356 1.00 65.02 O ATOM 0 H SER A 38 37.678 -53.560 -66.955 1.00 41.21 H new ATOM 0 HA SER A 38 39.216 -55.887 -67.417 1.00 33.42 H new ATOM 0 HB2 SER A 38 38.790 -53.303 -68.969 1.00 15.14 H new ATOM 0 HB3 SER A 38 39.735 -54.639 -69.598 1.00 15.14 H new ATOM 0 HG SER A 38 37.892 -55.481 -70.207 1.00 65.02 H new ATOM 550 N LYS A 39 40.879 -53.092 -66.873 1.00 23.44 N ATOM 551 CA LYS A 39 42.194 -52.554 -66.545 1.00 11.42 C ATOM 552 C LYS A 39 42.756 -53.215 -65.290 1.00 54.03 C ATOM 553 O LYS A 39 43.962 -53.436 -65.180 1.00 14.02 O ATOM 554 CB LYS A 39 42.111 -51.039 -66.342 1.00 61.03 C ATOM 555 CG LYS A 39 42.187 -50.615 -64.886 1.00 33.13 C ATOM 556 CD LYS A 39 41.981 -49.118 -64.729 1.00 51.23 C ATOM 557 CE LYS A 39 42.178 -48.676 -63.287 1.00 50.34 C ATOM 558 NZ LYS A 39 42.186 -47.192 -63.158 1.00 71.12 N ATOM 0 H LYS A 39 40.125 -52.406 -66.848 1.00 23.44 H new ATOM 0 HA LYS A 39 42.864 -52.768 -67.378 1.00 11.42 H new ATOM 0 HB2 LYS A 39 42.922 -50.562 -66.893 1.00 61.03 H new ATOM 0 HB3 LYS A 39 41.177 -50.674 -66.770 1.00 61.03 H new ATOM 0 HG2 LYS A 39 41.431 -51.149 -64.311 1.00 33.13 H new ATOM 0 HG3 LYS A 39 43.157 -50.895 -64.475 1.00 33.13 H new ATOM 0 HD2 LYS A 39 42.680 -48.584 -65.373 1.00 51.23 H new ATOM 0 HD3 LYS A 39 40.977 -48.851 -65.058 1.00 51.23 H new ATOM 0 HE2 LYS A 39 41.382 -49.090 -62.668 1.00 50.34 H new ATOM 0 HE3 LYS A 39 43.118 -49.079 -62.909 1.00 50.34 H new ATOM 0 HZ1 LYS A 39 42.289 -46.931 -62.156 1.00 71.12 H new ATOM 0 HZ2 LYS A 39 42.982 -46.801 -63.701 1.00 71.12 H new ATOM 0 HZ3 LYS A 39 41.293 -46.807 -63.526 1.00 71.12 H new ATOM 572 N VAL A 40 41.873 -53.530 -64.347 1.00 63.02 N ATOM 573 CA VAL A 40 42.281 -54.169 -63.102 1.00 10.34 C ATOM 574 C VAL A 40 42.903 -55.536 -63.363 1.00 11.12 C ATOM 575 O VAL A 40 43.861 -55.929 -62.699 1.00 64.12 O ATOM 576 CB VAL A 40 41.090 -54.334 -62.140 1.00 35.24 C ATOM 577 CG1 VAL A 40 41.457 -55.257 -60.987 1.00 44.35 C ATOM 578 CG2 VAL A 40 40.630 -52.979 -61.623 1.00 24.23 C ATOM 0 H VAL A 40 40.871 -53.353 -64.422 1.00 63.02 H new ATOM 0 HA VAL A 40 43.024 -53.518 -62.641 1.00 10.34 H new ATOM 0 HB VAL A 40 40.264 -54.788 -62.688 1.00 35.24 H new ATOM 0 HG11 VAL A 40 40.603 -55.361 -60.318 1.00 44.35 H new ATOM 0 HG12 VAL A 40 41.733 -56.236 -61.378 1.00 44.35 H new ATOM 0 HG13 VAL A 40 42.299 -54.836 -60.437 1.00 44.35 H new ATOM 0 HG21 VAL A 40 39.788 -53.115 -60.945 1.00 24.23 H new ATOM 0 HG22 VAL A 40 41.449 -52.495 -61.091 1.00 24.23 H new ATOM 0 HG23 VAL A 40 40.323 -52.355 -62.462 1.00 24.23 H new ATOM 588 N GLU A 41 42.350 -56.255 -64.335 1.00 24.33 N ATOM 589 CA GLU A 41 42.852 -57.580 -64.683 1.00 54.42 C ATOM 590 C GLU A 41 44.307 -57.509 -65.136 1.00 3.44 C ATOM 591 O GLU A 41 45.105 -58.397 -64.837 1.00 0.31 O ATOM 592 CB GLU A 41 41.993 -58.200 -65.787 1.00 73.01 C ATOM 593 CG GLU A 41 40.506 -58.202 -65.473 1.00 0.20 C ATOM 594 CD GLU A 41 40.216 -58.547 -64.025 1.00 61.12 C ATOM 595 OE1 GLU A 41 40.305 -59.742 -63.672 1.00 3.45 O ATOM 596 OE2 GLU A 41 39.900 -57.624 -63.246 1.00 51.23 O ATOM 0 H GLU A 41 41.556 -55.943 -64.894 1.00 24.33 H new ATOM 0 HA GLU A 41 42.797 -58.207 -63.793 1.00 54.42 H new ATOM 0 HB2 GLU A 41 42.159 -57.653 -66.715 1.00 73.01 H new ATOM 0 HB3 GLU A 41 42.321 -59.225 -65.958 1.00 73.01 H new ATOM 0 HG2 GLU A 41 40.089 -57.220 -65.699 1.00 0.20 H new ATOM 0 HG3 GLU A 41 40.003 -58.919 -66.121 1.00 0.20 H new ATOM 603 N ALA A 42 44.645 -56.446 -65.858 1.00 51.25 N ATOM 604 CA ALA A 42 46.004 -56.257 -66.351 1.00 72.42 C ATOM 605 C ALA A 42 46.923 -55.748 -65.246 1.00 53.32 C ATOM 606 O ALA A 42 48.143 -55.878 -65.332 1.00 23.13 O ATOM 607 CB ALA A 42 46.009 -55.296 -67.530 1.00 40.32 C ATOM 0 H ALA A 42 43.996 -55.702 -66.115 1.00 51.25 H new ATOM 0 HA ALA A 42 46.381 -57.224 -66.684 1.00 72.42 H new ATOM 0 HB1 ALA A 42 47.030 -55.164 -67.888 1.00 40.32 H new ATOM 0 HB2 ALA A 42 45.393 -55.701 -68.333 1.00 40.32 H new ATOM 0 HB3 ALA A 42 45.608 -54.333 -67.216 1.00 40.32 H new ATOM 613 N ALA A 43 46.328 -55.166 -64.210 1.00 31.13 N ATOM 614 CA ALA A 43 47.093 -54.638 -63.087 1.00 44.03 C ATOM 615 C ALA A 43 47.915 -55.735 -62.418 1.00 53.13 C ATOM 616 O ALA A 43 49.010 -55.484 -61.913 1.00 34.23 O ATOM 617 CB ALA A 43 46.164 -53.981 -62.077 1.00 62.32 C ATOM 0 H ALA A 43 45.318 -55.048 -64.125 1.00 31.13 H new ATOM 0 HA ALA A 43 47.783 -53.887 -63.471 1.00 44.03 H new ATOM 0 HB1 ALA A 43 46.749 -53.591 -61.244 1.00 62.32 H new ATOM 0 HB2 ALA A 43 45.626 -53.163 -62.556 1.00 62.32 H new ATOM 0 HB3 ALA A 43 45.451 -54.717 -61.706 1.00 62.32 H new ATOM 623 N LEU A 44 47.380 -56.951 -62.418 1.00 11.11 N ATOM 624 CA LEU A 44 48.064 -58.087 -61.810 1.00 35.21 C ATOM 625 C LEU A 44 49.414 -58.330 -62.476 1.00 3.24 C ATOM 626 O LEU A 44 50.398 -58.649 -61.808 1.00 60.31 O ATOM 627 CB LEU A 44 47.198 -59.344 -61.914 1.00 53.13 C ATOM 628 CG LEU A 44 45.890 -59.326 -61.122 1.00 52.44 C ATOM 629 CD1 LEU A 44 45.136 -60.633 -61.307 1.00 31.44 C ATOM 630 CD2 LEU A 44 46.163 -59.068 -59.648 1.00 32.44 C ATOM 0 H LEU A 44 46.475 -57.176 -62.832 1.00 11.11 H new ATOM 0 HA LEU A 44 48.235 -57.856 -60.758 1.00 35.21 H new ATOM 0 HB2 LEU A 44 46.961 -59.512 -62.965 1.00 53.13 H new ATOM 0 HB3 LEU A 44 47.789 -60.197 -61.581 1.00 53.13 H new ATOM 0 HG LEU A 44 45.268 -58.516 -61.502 1.00 52.44 H new ATOM 0 HD11 LEU A 44 44.208 -60.602 -60.736 1.00 31.44 H new ATOM 0 HD12 LEU A 44 44.908 -60.775 -62.363 1.00 31.44 H new ATOM 0 HD13 LEU A 44 45.751 -61.461 -60.954 1.00 31.44 H new ATOM 0 HD21 LEU A 44 45.221 -59.059 -59.100 1.00 32.44 H new ATOM 0 HD22 LEU A 44 46.805 -59.856 -59.253 1.00 32.44 H new ATOM 0 HD23 LEU A 44 46.659 -58.104 -59.533 1.00 32.44 H new ATOM 642 N SER A 45 49.455 -58.174 -63.795 1.00 13.31 N ATOM 643 CA SER A 45 50.685 -58.377 -64.552 1.00 35.35 C ATOM 644 C SER A 45 51.634 -57.197 -64.372 1.00 42.35 C ATOM 645 O SER A 45 51.249 -56.121 -63.915 1.00 55.54 O ATOM 646 CB SER A 45 50.369 -58.572 -66.036 1.00 11.12 C ATOM 647 OG SER A 45 48.984 -58.797 -66.237 1.00 64.45 O ATOM 0 H SER A 45 48.650 -57.908 -64.362 1.00 13.31 H new ATOM 0 HA SER A 45 51.173 -59.274 -64.172 1.00 35.35 H new ATOM 0 HB2 SER A 45 50.683 -57.691 -66.597 1.00 11.12 H new ATOM 0 HB3 SER A 45 50.938 -59.417 -66.424 1.00 11.12 H new ATOM 0 HG SER A 45 48.807 -58.917 -67.193 1.00 64.45 H new ATOM 653 N PRO A 46 52.907 -57.402 -64.741 1.00 45.41 N ATOM 654 CA PRO A 46 53.940 -56.366 -64.631 1.00 73.54 C ATOM 655 C PRO A 46 53.731 -55.232 -65.628 1.00 52.43 C ATOM 656 O PRO A 46 54.560 -55.005 -66.510 1.00 40.12 O ATOM 657 CB PRO A 46 55.234 -57.122 -64.944 1.00 51.42 C ATOM 658 CG PRO A 46 54.806 -58.275 -65.784 1.00 51.03 C ATOM 659 CD PRO A 46 53.437 -58.659 -65.294 1.00 24.31 C ATOM 0 HA PRO A 46 53.936 -55.888 -63.652 1.00 73.54 H new ATOM 0 HB2 PRO A 46 55.944 -56.488 -65.475 1.00 51.42 H new ATOM 0 HB3 PRO A 46 55.727 -57.458 -64.032 1.00 51.42 H new ATOM 0 HG2 PRO A 46 54.780 -58.001 -66.839 1.00 51.03 H new ATOM 0 HG3 PRO A 46 55.503 -59.108 -65.688 1.00 51.03 H new ATOM 0 HD2 PRO A 46 52.812 -59.037 -66.103 1.00 24.31 H new ATOM 0 HD3 PRO A 46 53.486 -59.442 -64.537 1.00 24.31 H new ATOM 667 N THR A 47 52.617 -54.520 -65.483 1.00 45.30 N ATOM 668 CA THR A 47 52.299 -53.409 -66.371 1.00 4.30 C ATOM 669 C THR A 47 51.446 -52.364 -65.661 1.00 31.22 C ATOM 670 O THR A 47 51.068 -52.540 -64.502 1.00 60.10 O ATOM 671 CB THR A 47 51.557 -53.892 -67.631 1.00 53.51 C ATOM 672 OG1 THR A 47 51.361 -52.797 -68.534 1.00 65.51 O ATOM 673 CG2 THR A 47 50.211 -54.501 -67.266 1.00 44.23 C ATOM 0 H THR A 47 51.920 -54.694 -64.759 1.00 45.30 H new ATOM 0 HA THR A 47 53.247 -52.959 -66.667 1.00 4.30 H new ATOM 0 HB THR A 47 52.166 -54.657 -68.114 1.00 53.51 H new ATOM 0 HG1 THR A 47 52.144 -52.208 -68.509 1.00 65.51 H new ATOM 0 HG21 THR A 47 49.705 -54.835 -68.172 1.00 44.23 H new ATOM 0 HG22 THR A 47 50.365 -55.351 -66.602 1.00 44.23 H new ATOM 0 HG23 THR A 47 49.598 -53.753 -66.763 1.00 44.23 H new ATOM 681 N HIS A 48 51.144 -51.276 -66.363 1.00 22.42 N ATOM 682 CA HIS A 48 50.333 -50.203 -65.799 1.00 21.21 C ATOM 683 C HIS A 48 49.192 -49.832 -66.741 1.00 60.22 C ATOM 684 O HIS A 48 49.416 -49.522 -67.912 1.00 34.34 O ATOM 685 CB HIS A 48 51.199 -48.974 -65.519 1.00 32.43 C ATOM 686 CG HIS A 48 50.427 -47.808 -64.983 1.00 42.33 C ATOM 687 ND1 HIS A 48 50.719 -46.500 -65.308 1.00 11.30 N ATOM 688 CD2 HIS A 48 49.368 -47.758 -64.142 1.00 1.21 C ATOM 689 CE1 HIS A 48 49.874 -45.696 -64.688 1.00 54.42 C ATOM 690 NE2 HIS A 48 49.043 -46.434 -63.974 1.00 62.14 N ATOM 0 H HIS A 48 51.449 -51.114 -67.323 1.00 22.42 H new ATOM 0 HA HIS A 48 49.906 -50.558 -64.861 1.00 21.21 H new ATOM 0 HB2 HIS A 48 51.977 -49.243 -64.805 1.00 32.43 H new ATOM 0 HB3 HIS A 48 51.700 -48.675 -66.440 1.00 32.43 H new ATOM 0 HD2 HIS A 48 48.871 -48.602 -63.687 1.00 1.21 H new ATOM 0 HE1 HIS A 48 49.864 -44.618 -64.754 1.00 54.42 H new ATOM 0 HE2 HIS A 48 48.284 -46.079 -63.393 1.00 62.14 H new ATOM 698 N PHE A 49 47.969 -49.867 -66.223 1.00 54.44 N ATOM 699 CA PHE A 49 46.792 -49.536 -67.019 1.00 42.30 C ATOM 700 C PHE A 49 46.071 -48.320 -66.444 1.00 31.21 C ATOM 701 O PHE A 49 45.807 -48.250 -65.243 1.00 64.42 O ATOM 702 CB PHE A 49 45.837 -50.730 -67.077 1.00 11.44 C ATOM 703 CG PHE A 49 46.194 -51.733 -68.136 1.00 41.50 C ATOM 704 CD1 PHE A 49 47.461 -52.293 -68.180 1.00 14.24 C ATOM 705 CD2 PHE A 49 45.263 -52.115 -69.089 1.00 5.32 C ATOM 706 CE1 PHE A 49 47.792 -53.216 -69.153 1.00 25.30 C ATOM 707 CE2 PHE A 49 45.589 -53.038 -70.064 1.00 45.12 C ATOM 708 CZ PHE A 49 46.856 -53.588 -70.097 1.00 72.51 C ATOM 0 H PHE A 49 47.767 -50.121 -65.256 1.00 54.44 H new ATOM 0 HA PHE A 49 47.123 -49.296 -68.029 1.00 42.30 H new ATOM 0 HB2 PHE A 49 45.829 -51.226 -66.106 1.00 11.44 H new ATOM 0 HB3 PHE A 49 44.825 -50.367 -67.258 1.00 11.44 H new ATOM 0 HD1 PHE A 49 48.198 -52.004 -67.445 1.00 14.24 H new ATOM 0 HD2 PHE A 49 44.272 -51.686 -69.069 1.00 5.32 H new ATOM 0 HE1 PHE A 49 48.782 -53.646 -69.175 1.00 25.30 H new ATOM 0 HE2 PHE A 49 44.854 -53.329 -70.800 1.00 45.12 H new ATOM 0 HZ PHE A 49 47.114 -54.308 -70.860 1.00 72.51 H new ATOM 718 N LYS A 50 45.755 -47.363 -67.310 1.00 34.24 N ATOM 719 CA LYS A 50 45.063 -46.150 -66.891 1.00 4.35 C ATOM 720 C LYS A 50 43.816 -45.914 -67.737 1.00 22.25 C ATOM 721 O LYS A 50 43.898 -45.780 -68.958 1.00 64.43 O ATOM 722 CB LYS A 50 45.999 -44.943 -66.995 1.00 71.13 C ATOM 723 CG LYS A 50 45.331 -43.624 -66.648 1.00 4.24 C ATOM 724 CD LYS A 50 45.449 -42.623 -67.784 1.00 45.54 C ATOM 725 CE LYS A 50 45.428 -41.191 -67.271 1.00 34.03 C ATOM 726 NZ LYS A 50 45.226 -40.209 -68.372 1.00 62.54 N ATOM 0 H LYS A 50 45.967 -47.404 -68.307 1.00 34.24 H new ATOM 0 HA LYS A 50 44.757 -46.277 -65.853 1.00 4.35 H new ATOM 0 HB2 LYS A 50 46.850 -45.095 -66.331 1.00 71.13 H new ATOM 0 HB3 LYS A 50 46.393 -44.885 -68.010 1.00 71.13 H new ATOM 0 HG2 LYS A 50 44.279 -43.797 -66.422 1.00 4.24 H new ATOM 0 HG3 LYS A 50 45.787 -43.210 -65.748 1.00 4.24 H new ATOM 0 HD2 LYS A 50 46.374 -42.801 -68.332 1.00 45.54 H new ATOM 0 HD3 LYS A 50 44.629 -42.771 -68.487 1.00 45.54 H new ATOM 0 HE2 LYS A 50 44.631 -41.081 -66.536 1.00 34.03 H new ATOM 0 HE3 LYS A 50 46.366 -40.975 -66.760 1.00 34.03 H new ATOM 0 HZ1 LYS A 50 45.218 -39.245 -67.981 1.00 62.54 H new ATOM 0 HZ2 LYS A 50 46.000 -40.296 -69.061 1.00 62.54 H new ATOM 0 HZ3 LYS A 50 44.319 -40.399 -68.844 1.00 62.54 H new ATOM 740 N LEU A 51 42.663 -45.863 -67.080 1.00 35.21 N ATOM 741 CA LEU A 51 41.397 -45.642 -67.772 1.00 5.11 C ATOM 742 C LEU A 51 40.668 -44.431 -67.199 1.00 31.01 C ATOM 743 O LEU A 51 40.452 -44.339 -65.990 1.00 71.11 O ATOM 744 CB LEU A 51 40.511 -46.884 -67.664 1.00 52.35 C ATOM 745 CG LEU A 51 39.073 -46.727 -68.161 1.00 10.23 C ATOM 746 CD1 LEU A 51 38.790 -47.701 -69.293 1.00 72.44 C ATOM 747 CD2 LEU A 51 38.089 -46.933 -67.018 1.00 70.35 C ATOM 0 H LEU A 51 42.578 -45.972 -66.069 1.00 35.21 H new ATOM 0 HA LEU A 51 41.614 -45.449 -68.823 1.00 5.11 H new ATOM 0 HB2 LEU A 51 40.982 -47.692 -68.224 1.00 52.35 H new ATOM 0 HB3 LEU A 51 40.482 -47.195 -66.620 1.00 52.35 H new ATOM 0 HG LEU A 51 38.949 -45.714 -68.543 1.00 10.23 H new ATOM 0 HD11 LEU A 51 37.762 -47.575 -69.633 1.00 72.44 H new ATOM 0 HD12 LEU A 51 39.473 -47.506 -70.120 1.00 72.44 H new ATOM 0 HD13 LEU A 51 38.932 -48.722 -68.938 1.00 72.44 H new ATOM 0 HD21 LEU A 51 37.071 -46.818 -67.389 1.00 70.35 H new ATOM 0 HD22 LEU A 51 38.214 -47.935 -66.606 1.00 70.35 H new ATOM 0 HD23 LEU A 51 38.277 -46.194 -66.239 1.00 70.35 H new ATOM 759 N ILE A 52 40.289 -43.506 -68.074 1.00 62.15 N ATOM 760 CA ILE A 52 39.581 -42.303 -67.656 1.00 31.03 C ATOM 761 C ILE A 52 38.273 -42.141 -68.422 1.00 15.41 C ATOM 762 O ILE A 52 38.273 -41.955 -69.638 1.00 73.30 O ATOM 763 CB ILE A 52 40.442 -41.043 -67.860 1.00 42.30 C ATOM 764 CG1 ILE A 52 40.949 -40.973 -69.302 1.00 22.20 C ATOM 765 CG2 ILE A 52 41.608 -41.033 -66.882 1.00 74.41 C ATOM 766 CD1 ILE A 52 40.542 -39.708 -70.025 1.00 64.42 C ATOM 0 H ILE A 52 40.461 -43.567 -69.078 1.00 62.15 H new ATOM 0 HA ILE A 52 39.365 -42.417 -66.594 1.00 31.03 H new ATOM 0 HB ILE A 52 39.825 -40.165 -67.668 1.00 42.30 H new ATOM 0 HG12 ILE A 52 42.036 -41.047 -69.300 1.00 22.20 H new ATOM 0 HG13 ILE A 52 40.572 -41.834 -69.853 1.00 22.20 H new ATOM 0 HG21 ILE A 52 42.207 -40.136 -67.039 1.00 74.41 H new ATOM 0 HG22 ILE A 52 41.227 -41.040 -65.861 1.00 74.41 H new ATOM 0 HG23 ILE A 52 42.227 -41.915 -67.045 1.00 74.41 H new ATOM 0 HD11 ILE A 52 40.936 -39.727 -71.041 1.00 64.42 H new ATOM 0 HD12 ILE A 52 39.455 -39.642 -70.059 1.00 64.42 H new ATOM 0 HD13 ILE A 52 40.942 -38.842 -69.497 1.00 64.42 H new ATOM 778 N ASN A 53 37.158 -42.210 -67.701 1.00 3.23 N ATOM 779 CA ASN A 53 35.842 -42.069 -68.312 1.00 71.15 C ATOM 780 C ASN A 53 35.185 -40.757 -67.894 1.00 31.32 C ATOM 781 O ASN A 53 35.037 -40.477 -66.704 1.00 71.32 O ATOM 782 CB ASN A 53 34.947 -43.248 -67.923 1.00 40.43 C ATOM 783 CG ASN A 53 33.839 -42.842 -66.971 1.00 33.20 C ATOM 784 OD1 ASN A 53 34.010 -42.873 -65.752 1.00 42.23 O ATOM 785 ND2 ASN A 53 32.694 -42.460 -67.524 1.00 53.24 N ATOM 0 H ASN A 53 37.140 -42.363 -66.693 1.00 3.23 H new ATOM 0 HA ASN A 53 35.971 -42.061 -69.394 1.00 71.15 H new ATOM 0 HB2 ASN A 53 34.509 -43.681 -68.823 1.00 40.43 H new ATOM 0 HB3 ASN A 53 35.555 -44.025 -67.459 1.00 40.43 H new ATOM 0 HD21 ASN A 53 31.912 -42.177 -66.934 1.00 53.24 H new ATOM 0 HD22 ASN A 53 32.596 -42.450 -68.539 1.00 53.24 H new ATOM 792 N ASP A 54 34.793 -39.958 -68.879 1.00 55.25 N ATOM 793 CA ASP A 54 34.150 -38.676 -68.614 1.00 75.02 C ATOM 794 C ASP A 54 32.651 -38.753 -68.887 1.00 74.23 C ATOM 795 O ASP A 54 31.852 -38.104 -68.212 1.00 23.14 O ATOM 796 CB ASP A 54 34.781 -37.578 -69.471 1.00 53.41 C ATOM 797 CG ASP A 54 35.242 -36.393 -68.646 1.00 11.53 C ATOM 798 OD1 ASP A 54 36.345 -36.467 -68.065 1.00 44.22 O ATOM 799 OD2 ASP A 54 34.500 -35.391 -68.581 1.00 12.51 O ATOM 0 H ASP A 54 34.909 -40.175 -69.869 1.00 55.25 H new ATOM 0 HA ASP A 54 34.297 -38.434 -67.561 1.00 75.02 H new ATOM 0 HB2 ASP A 54 35.630 -37.990 -70.016 1.00 53.41 H new ATOM 0 HB3 ASP A 54 34.058 -37.241 -70.214 1.00 53.41 H new ATOM 804 N SER A 55 32.276 -39.550 -69.883 1.00 31.32 N ATOM 805 CA SER A 55 30.873 -39.709 -70.249 1.00 2.43 C ATOM 806 C SER A 55 30.209 -38.351 -70.455 1.00 10.45 C ATOM 807 O SER A 55 30.877 -37.316 -70.474 1.00 30.22 O ATOM 808 CB SER A 55 30.128 -40.495 -69.168 1.00 40.05 C ATOM 809 OG SER A 55 29.278 -41.472 -69.744 1.00 13.31 O ATOM 0 H SER A 55 32.924 -40.096 -70.451 1.00 31.32 H new ATOM 0 HA SER A 55 30.828 -40.263 -71.187 1.00 2.43 H new ATOM 0 HB2 SER A 55 30.846 -40.978 -68.505 1.00 40.05 H new ATOM 0 HB3 SER A 55 29.539 -39.811 -68.557 1.00 40.05 H new ATOM 0 HG SER A 55 29.666 -42.362 -69.612 1.00 13.31 H new ATOM 815 N HIS A 56 28.889 -38.362 -70.608 1.00 54.12 N ATOM 816 CA HIS A 56 28.132 -37.132 -70.812 1.00 41.43 C ATOM 817 C HIS A 56 27.258 -36.824 -69.600 1.00 75.35 C ATOM 818 O HIS A 56 26.715 -37.730 -68.967 1.00 60.01 O ATOM 819 CB HIS A 56 27.265 -37.243 -72.067 1.00 30.34 C ATOM 820 CG HIS A 56 26.393 -36.048 -72.300 1.00 33.40 C ATOM 821 ND1 HIS A 56 26.893 -34.782 -72.518 1.00 63.34 N ATOM 822 CD2 HIS A 56 25.045 -35.932 -72.350 1.00 60.31 C ATOM 823 CE1 HIS A 56 25.891 -33.939 -72.691 1.00 3.20 C ATOM 824 NE2 HIS A 56 24.759 -34.612 -72.594 1.00 52.41 N ATOM 0 H HIS A 56 28.321 -39.209 -70.595 1.00 54.12 H new ATOM 0 HA HIS A 56 28.842 -36.315 -70.942 1.00 41.43 H new ATOM 0 HB2 HIS A 56 27.911 -37.386 -72.933 1.00 30.34 H new ATOM 0 HB3 HIS A 56 26.637 -38.131 -71.988 1.00 30.34 H new ATOM 0 HD2 HIS A 56 24.328 -36.730 -72.222 1.00 60.31 H new ATOM 0 HE1 HIS A 56 25.982 -32.880 -72.880 1.00 3.20 H new ATOM 0 HE2 HIS A 56 23.824 -34.215 -72.686 1.00 52.41 H new ATOM 1069 N THR A 75 35.676 -37.050 -77.517 1.00 72.33 N ATOM 1070 CA THR A 75 36.006 -38.282 -76.812 1.00 35.31 C ATOM 1071 C THR A 75 36.035 -38.061 -75.304 1.00 31.41 C ATOM 1072 O THR A 75 36.578 -37.067 -74.822 1.00 50.55 O ATOM 1073 CB THR A 75 37.368 -38.841 -77.264 1.00 71.21 C ATOM 1074 OG1 THR A 75 38.415 -38.292 -76.457 1.00 1.13 O ATOM 1075 CG2 THR A 75 37.627 -38.518 -78.728 1.00 15.21 C ATOM 0 HA THR A 75 35.227 -39.004 -77.056 1.00 35.31 H new ATOM 0 HB THR A 75 37.348 -39.924 -77.145 1.00 71.21 H new ATOM 0 HG1 THR A 75 38.166 -37.390 -76.167 1.00 1.13 H new ATOM 0 HG21 THR A 75 38.595 -38.923 -79.024 1.00 15.21 H new ATOM 0 HG22 THR A 75 36.844 -38.962 -79.343 1.00 15.21 H new ATOM 0 HG23 THR A 75 37.628 -37.437 -78.867 1.00 15.21 H new ATOM 1083 N HIS A 76 35.448 -38.995 -74.562 1.00 61.51 N ATOM 1084 CA HIS A 76 35.408 -38.903 -73.107 1.00 5.10 C ATOM 1085 C HIS A 76 36.062 -40.124 -72.467 1.00 30.01 C ATOM 1086 O HIS A 76 36.341 -40.134 -71.268 1.00 24.41 O ATOM 1087 CB HIS A 76 33.964 -38.770 -72.622 1.00 64.04 C ATOM 1088 CG HIS A 76 33.316 -37.479 -73.018 1.00 5.13 C ATOM 1089 ND1 HIS A 76 31.950 -37.299 -73.041 1.00 75.25 N ATOM 1090 CD2 HIS A 76 33.856 -36.299 -73.405 1.00 23.45 C ATOM 1091 CE1 HIS A 76 31.676 -36.066 -73.428 1.00 5.34 C ATOM 1092 NE2 HIS A 76 32.816 -35.438 -73.654 1.00 4.13 N ATOM 0 H HIS A 76 34.994 -39.824 -74.945 1.00 61.51 H new ATOM 0 HA HIS A 76 35.966 -38.016 -72.809 1.00 5.10 H new ATOM 0 HB2 HIS A 76 33.378 -39.598 -73.020 1.00 64.04 H new ATOM 0 HB3 HIS A 76 33.945 -38.859 -71.536 1.00 64.04 H new ATOM 0 HD2 HIS A 76 34.909 -36.077 -73.500 1.00 23.45 H new ATOM 0 HE1 HIS A 76 30.688 -35.643 -73.540 1.00 5.34 H new ATOM 0 HE2 HIS A 76 32.909 -34.470 -73.963 1.00 4.13 H new ATOM 1100 N PHE A 77 36.302 -41.152 -73.274 1.00 44.23 N ATOM 1101 CA PHE A 77 36.921 -42.379 -72.786 1.00 43.24 C ATOM 1102 C PHE A 77 38.321 -42.551 -73.369 1.00 2.54 C ATOM 1103 O PHE A 77 38.542 -42.327 -74.559 1.00 73.30 O ATOM 1104 CB PHE A 77 36.056 -43.589 -73.144 1.00 51.13 C ATOM 1105 CG PHE A 77 34.881 -43.778 -72.227 1.00 64.04 C ATOM 1106 CD1 PHE A 77 33.942 -42.772 -72.067 1.00 31.41 C ATOM 1107 CD2 PHE A 77 34.717 -44.961 -71.526 1.00 21.44 C ATOM 1108 CE1 PHE A 77 32.860 -42.943 -71.224 1.00 74.43 C ATOM 1109 CE2 PHE A 77 33.637 -45.138 -70.682 1.00 72.20 C ATOM 1110 CZ PHE A 77 32.708 -44.128 -70.530 1.00 54.42 C ATOM 0 H PHE A 77 36.077 -41.160 -74.269 1.00 44.23 H new ATOM 0 HA PHE A 77 37.004 -42.308 -71.701 1.00 43.24 H new ATOM 0 HB2 PHE A 77 35.695 -43.478 -74.166 1.00 51.13 H new ATOM 0 HB3 PHE A 77 36.674 -44.487 -73.120 1.00 51.13 H new ATOM 0 HD1 PHE A 77 34.057 -41.844 -72.607 1.00 31.41 H new ATOM 0 HD2 PHE A 77 35.441 -45.754 -71.640 1.00 21.44 H new ATOM 0 HE1 PHE A 77 32.134 -42.151 -71.108 1.00 74.43 H new ATOM 0 HE2 PHE A 77 33.520 -46.066 -70.142 1.00 72.20 H new ATOM 0 HZ PHE A 77 31.864 -44.264 -69.870 1.00 54.42 H new ATOM 1120 N ARG A 78 39.264 -42.948 -72.520 1.00 53.01 N ATOM 1121 CA ARG A 78 40.643 -43.148 -72.949 1.00 33.02 C ATOM 1122 C ARG A 78 41.304 -44.267 -72.150 1.00 33.34 C ATOM 1123 O ARG A 78 41.443 -44.174 -70.929 1.00 64.43 O ATOM 1124 CB ARG A 78 41.442 -41.853 -72.790 1.00 74.11 C ATOM 1125 CG ARG A 78 42.840 -42.065 -72.234 1.00 2.41 C ATOM 1126 CD ARG A 78 43.715 -40.839 -72.446 1.00 22.03 C ATOM 1127 NE ARG A 78 44.614 -40.998 -73.586 1.00 32.51 N ATOM 1128 CZ ARG A 78 45.433 -40.045 -74.015 1.00 1.12 C ATOM 1129 NH1 ARG A 78 45.467 -38.870 -73.401 1.00 62.12 N ATOM 1130 NH2 ARG A 78 46.221 -40.266 -75.059 1.00 51.24 N ATOM 0 H ARG A 78 39.098 -43.137 -71.532 1.00 53.01 H new ATOM 0 HA ARG A 78 40.632 -43.433 -74.001 1.00 33.02 H new ATOM 0 HB2 ARG A 78 41.517 -41.361 -73.760 1.00 74.11 H new ATOM 0 HB3 ARG A 78 40.896 -41.178 -72.131 1.00 74.11 H new ATOM 0 HG2 ARG A 78 42.779 -42.290 -71.169 1.00 2.41 H new ATOM 0 HG3 ARG A 78 43.298 -42.928 -72.717 1.00 2.41 H new ATOM 0 HD2 ARG A 78 43.083 -39.965 -72.602 1.00 22.03 H new ATOM 0 HD3 ARG A 78 44.301 -40.652 -71.546 1.00 22.03 H new ATOM 0 HE ARG A 78 44.613 -41.890 -74.080 1.00 32.51 H new ATOM 0 HH11 ARG A 78 44.863 -38.697 -72.597 1.00 62.12 H new ATOM 0 HH12 ARG A 78 46.097 -38.139 -73.732 1.00 62.12 H new ATOM 0 HH21 ARG A 78 46.198 -41.169 -75.533 1.00 51.24 H new ATOM 0 HH22 ARG A 78 46.850 -39.533 -75.388 1.00 51.24 H new ATOM 1144 N LEU A 79 41.708 -45.324 -72.845 1.00 30.40 N ATOM 1145 CA LEU A 79 42.354 -46.463 -72.201 1.00 1.45 C ATOM 1146 C LEU A 79 43.820 -46.560 -72.610 1.00 62.21 C ATOM 1147 O LEU A 79 44.134 -46.761 -73.783 1.00 4.33 O ATOM 1148 CB LEU A 79 41.625 -47.759 -72.560 1.00 1.43 C ATOM 1149 CG LEU A 79 41.684 -48.874 -71.515 1.00 2.40 C ATOM 1150 CD1 LEU A 79 41.125 -50.168 -72.084 1.00 21.40 C ATOM 1151 CD2 LEU A 79 43.112 -49.075 -71.030 1.00 4.20 C ATOM 0 H LEU A 79 41.600 -45.417 -73.855 1.00 30.40 H new ATOM 0 HA LEU A 79 42.306 -46.314 -71.122 1.00 1.45 H new ATOM 0 HB2 LEU A 79 40.578 -47.523 -72.751 1.00 1.43 H new ATOM 0 HB3 LEU A 79 42.041 -48.140 -73.493 1.00 1.43 H new ATOM 0 HG LEU A 79 41.070 -48.581 -70.663 1.00 2.40 H new ATOM 0 HD11 LEU A 79 41.175 -50.950 -71.326 1.00 21.40 H new ATOM 0 HD12 LEU A 79 40.087 -50.016 -72.381 1.00 21.40 H new ATOM 0 HD13 LEU A 79 41.711 -50.467 -72.953 1.00 21.40 H new ATOM 0 HD21 LEU A 79 43.135 -49.872 -70.287 1.00 4.20 H new ATOM 0 HD22 LEU A 79 43.748 -49.346 -71.873 1.00 4.20 H new ATOM 0 HD23 LEU A 79 43.478 -48.151 -70.582 1.00 4.20 H new ATOM 1163 N GLU A 80 44.712 -46.419 -71.635 1.00 24.02 N ATOM 1164 CA GLU A 80 46.145 -46.493 -71.895 1.00 4.23 C ATOM 1165 C GLU A 80 46.792 -47.601 -71.068 1.00 51.23 C ATOM 1166 O GLU A 80 46.385 -47.865 -69.937 1.00 1.43 O ATOM 1167 CB GLU A 80 46.813 -45.152 -71.581 1.00 72.13 C ATOM 1168 CG GLU A 80 46.942 -44.239 -72.789 1.00 61.52 C ATOM 1169 CD GLU A 80 48.031 -43.198 -72.619 1.00 54.52 C ATOM 1170 OE1 GLU A 80 49.002 -43.470 -71.884 1.00 25.43 O ATOM 1171 OE2 GLU A 80 47.911 -42.110 -73.221 1.00 11.02 O ATOM 0 H GLU A 80 44.468 -46.253 -70.659 1.00 24.02 H new ATOM 0 HA GLU A 80 46.285 -46.722 -72.951 1.00 4.23 H new ATOM 0 HB2 GLU A 80 46.237 -44.641 -70.809 1.00 72.13 H new ATOM 0 HB3 GLU A 80 47.805 -45.337 -71.169 1.00 72.13 H new ATOM 0 HG2 GLU A 80 47.154 -44.840 -73.673 1.00 61.52 H new ATOM 0 HG3 GLU A 80 45.990 -43.738 -72.965 1.00 61.52 H new ATOM 1178 N VAL A 81 47.802 -48.247 -71.643 1.00 34.04 N ATOM 1179 CA VAL A 81 48.506 -49.326 -70.960 1.00 74.22 C ATOM 1180 C VAL A 81 49.995 -49.303 -71.286 1.00 73.42 C ATOM 1181 O VAL A 81 50.387 -49.295 -72.454 1.00 14.43 O ATOM 1182 CB VAL A 81 47.929 -50.702 -71.342 1.00 74.31 C ATOM 1183 CG1 VAL A 81 47.004 -50.579 -72.543 1.00 54.03 C ATOM 1184 CG2 VAL A 81 49.050 -51.691 -71.622 1.00 5.20 C ATOM 0 H VAL A 81 48.151 -48.042 -72.579 1.00 34.04 H new ATOM 0 HA VAL A 81 48.369 -49.167 -69.890 1.00 74.22 H new ATOM 0 HB VAL A 81 47.346 -51.077 -70.501 1.00 74.31 H new ATOM 0 HG11 VAL A 81 46.606 -51.561 -72.798 1.00 54.03 H new ATOM 0 HG12 VAL A 81 46.181 -49.906 -72.301 1.00 54.03 H new ATOM 0 HG13 VAL A 81 47.561 -50.182 -73.392 1.00 54.03 H new ATOM 0 HG21 VAL A 81 48.624 -52.658 -71.890 1.00 5.20 H new ATOM 0 HG22 VAL A 81 49.662 -51.323 -72.445 1.00 5.20 H new ATOM 0 HG23 VAL A 81 49.668 -51.802 -70.731 1.00 5.20 H new ATOM 1194 N THR A 82 50.823 -49.294 -70.246 1.00 34.50 N ATOM 1195 CA THR A 82 52.269 -49.272 -70.421 1.00 23.12 C ATOM 1196 C THR A 82 52.918 -50.502 -69.795 1.00 52.31 C ATOM 1197 O THR A 82 52.875 -50.687 -68.579 1.00 1.41 O ATOM 1198 CB THR A 82 52.891 -48.006 -69.801 1.00 34.43 C ATOM 1199 OG1 THR A 82 52.237 -46.839 -70.311 1.00 61.24 O ATOM 1200 CG2 THR A 82 54.380 -47.932 -70.101 1.00 21.13 C ATOM 0 H THR A 82 50.516 -49.302 -69.273 1.00 34.50 H new ATOM 0 HA THR A 82 52.457 -49.272 -71.495 1.00 23.12 H new ATOM 0 HB THR A 82 52.757 -48.054 -68.720 1.00 34.43 H new ATOM 0 HG1 THR A 82 52.637 -46.039 -69.911 1.00 61.24 H new ATOM 0 HG21 THR A 82 54.797 -47.030 -69.653 1.00 21.13 H new ATOM 0 HG22 THR A 82 54.879 -48.807 -69.685 1.00 21.13 H new ATOM 0 HG23 THR A 82 54.533 -47.905 -71.180 1.00 21.13 H new ATOM 1208 N SER A 83 53.519 -51.340 -70.634 1.00 14.41 N ATOM 1209 CA SER A 83 54.174 -52.554 -70.163 1.00 31.14 C ATOM 1210 C SER A 83 55.642 -52.576 -70.578 1.00 53.33 C ATOM 1211 O SER A 83 55.966 -52.829 -71.739 1.00 10.43 O ATOM 1212 CB SER A 83 53.459 -53.790 -70.711 1.00 34.43 C ATOM 1213 OG SER A 83 52.286 -53.429 -71.419 1.00 53.10 O ATOM 0 H SER A 83 53.566 -51.200 -71.643 1.00 14.41 H new ATOM 0 HA SER A 83 54.122 -52.566 -69.074 1.00 31.14 H new ATOM 0 HB2 SER A 83 54.131 -54.340 -71.370 1.00 34.43 H new ATOM 0 HB3 SER A 83 53.201 -54.458 -69.890 1.00 34.43 H new ATOM 0 HG SER A 83 51.606 -53.116 -70.787 1.00 53.10 H new ATOM 1219 N ASP A 84 56.525 -52.308 -69.622 1.00 74.44 N ATOM 1220 CA ASP A 84 57.959 -52.298 -69.887 1.00 54.22 C ATOM 1221 C ASP A 84 58.344 -51.097 -70.746 1.00 13.04 C ATOM 1222 O ASP A 84 59.502 -50.944 -71.133 1.00 32.32 O ATOM 1223 CB ASP A 84 58.380 -53.593 -70.582 1.00 61.42 C ATOM 1224 CG ASP A 84 59.452 -54.341 -69.813 1.00 51.43 C ATOM 1225 OD1 ASP A 84 59.327 -54.450 -68.575 1.00 44.32 O ATOM 1226 OD2 ASP A 84 60.415 -54.817 -70.450 1.00 33.14 O ATOM 0 H ASP A 84 56.273 -52.095 -68.657 1.00 74.44 H new ATOM 0 HA ASP A 84 58.479 -52.222 -68.932 1.00 54.22 H new ATOM 0 HB2 ASP A 84 57.509 -54.236 -70.704 1.00 61.42 H new ATOM 0 HB3 ASP A 84 58.748 -53.362 -71.582 1.00 61.42 H new ATOM 1231 N ALA A 85 57.364 -50.248 -71.040 1.00 65.11 N ATOM 1232 CA ALA A 85 57.601 -49.061 -71.852 1.00 1.33 C ATOM 1233 C ALA A 85 58.473 -49.386 -73.060 1.00 21.24 C ATOM 1234 O ALA A 85 59.670 -49.098 -73.069 1.00 62.42 O ATOM 1235 CB ALA A 85 58.245 -47.967 -71.012 1.00 65.53 C ATOM 0 H ALA A 85 56.399 -50.360 -70.728 1.00 65.11 H new ATOM 0 HA ALA A 85 56.638 -48.704 -72.218 1.00 1.33 H new ATOM 0 HB1 ALA A 85 58.416 -47.086 -71.631 1.00 65.53 H new ATOM 0 HB2 ALA A 85 57.584 -47.706 -70.185 1.00 65.53 H new ATOM 0 HB3 ALA A 85 59.196 -48.324 -70.617 1.00 65.53 H new ATOM 1241 N PHE A 86 57.866 -49.988 -74.077 1.00 20.42 N ATOM 1242 CA PHE A 86 58.588 -50.355 -75.290 1.00 1.24 C ATOM 1243 C PHE A 86 57.661 -51.043 -76.287 1.00 43.15 C ATOM 1244 O PHE A 86 57.677 -52.266 -76.426 1.00 20.20 O ATOM 1245 CB PHE A 86 59.764 -51.274 -74.951 1.00 13.33 C ATOM 1246 CG PHE A 86 61.102 -50.601 -75.061 1.00 51.31 C ATOM 1247 CD1 PHE A 86 61.476 -49.960 -76.232 1.00 35.33 C ATOM 1248 CD2 PHE A 86 61.986 -50.608 -73.994 1.00 51.23 C ATOM 1249 CE1 PHE A 86 62.707 -49.341 -76.336 1.00 54.01 C ATOM 1250 CE2 PHE A 86 63.218 -49.990 -74.093 1.00 3.33 C ATOM 1251 CZ PHE A 86 63.579 -49.355 -75.265 1.00 14.41 C ATOM 0 H PHE A 86 56.876 -50.232 -74.086 1.00 20.42 H new ATOM 0 HA PHE A 86 58.970 -49.442 -75.746 1.00 1.24 H new ATOM 0 HB2 PHE A 86 59.639 -51.652 -73.936 1.00 13.33 H new ATOM 0 HB3 PHE A 86 59.744 -52.137 -75.617 1.00 13.33 H new ATOM 0 HD1 PHE A 86 60.798 -49.944 -77.072 1.00 35.33 H new ATOM 0 HD2 PHE A 86 61.709 -51.102 -73.074 1.00 51.23 H new ATOM 0 HE1 PHE A 86 62.987 -48.846 -77.254 1.00 54.01 H new ATOM 0 HE2 PHE A 86 63.898 -50.004 -73.254 1.00 3.33 H new ATOM 0 HZ PHE A 86 64.541 -48.870 -75.344 1.00 14.41 H new ATOM 1261 N LYS A 87 56.853 -50.248 -76.981 1.00 4.22 N ATOM 1262 CA LYS A 87 55.919 -50.778 -77.967 1.00 1.41 C ATOM 1263 C LYS A 87 56.650 -51.609 -79.017 1.00 15.31 C ATOM 1264 O LYS A 87 57.761 -51.274 -79.424 1.00 61.22 O ATOM 1265 CB LYS A 87 55.158 -49.635 -78.644 1.00 63.40 C ATOM 1266 CG LYS A 87 54.496 -50.036 -79.951 1.00 33.43 C ATOM 1267 CD LYS A 87 55.410 -49.788 -81.139 1.00 30.13 C ATOM 1268 CE LYS A 87 54.991 -48.549 -81.915 1.00 3.22 C ATOM 1269 NZ LYS A 87 56.023 -48.141 -82.908 1.00 23.40 N ATOM 0 H LYS A 87 56.827 -49.234 -76.878 1.00 4.22 H new ATOM 0 HA LYS A 87 55.209 -51.423 -77.449 1.00 1.41 H new ATOM 0 HB2 LYS A 87 54.396 -49.262 -77.960 1.00 63.40 H new ATOM 0 HB3 LYS A 87 55.848 -48.812 -78.833 1.00 63.40 H new ATOM 0 HG2 LYS A 87 54.225 -51.091 -79.914 1.00 33.43 H new ATOM 0 HG3 LYS A 87 53.571 -49.474 -80.079 1.00 33.43 H new ATOM 0 HD2 LYS A 87 56.437 -49.671 -80.792 1.00 30.13 H new ATOM 0 HD3 LYS A 87 55.394 -50.655 -81.799 1.00 30.13 H new ATOM 0 HE2 LYS A 87 54.050 -48.743 -82.429 1.00 3.22 H new ATOM 0 HE3 LYS A 87 54.811 -47.729 -81.220 1.00 3.22 H new ATOM 0 HZ1 LYS A 87 55.700 -47.293 -83.416 1.00 23.40 H new ATOM 0 HZ2 LYS A 87 56.915 -47.931 -82.416 1.00 23.40 H new ATOM 0 HZ3 LYS A 87 56.176 -48.914 -83.587 1.00 23.40 H new ATOM 1283 N GLY A 88 56.016 -52.694 -79.452 1.00 51.44 N ATOM 1284 CA GLY A 88 56.620 -53.554 -80.452 1.00 64.43 C ATOM 1285 C GLY A 88 55.589 -54.273 -81.299 1.00 54.53 C ATOM 1286 O GLY A 88 55.785 -54.464 -82.500 1.00 73.31 O ATOM 0 H GLY A 88 55.095 -52.992 -79.130 1.00 51.44 H new ATOM 0 HA2 GLY A 88 57.264 -52.958 -81.098 1.00 64.43 H new ATOM 0 HA3 GLY A 88 57.256 -54.289 -79.958 1.00 64.43 H new ATOM 1290 N LEU A 89 54.487 -54.672 -80.674 1.00 31.41 N ATOM 1291 CA LEU A 89 53.420 -55.376 -81.378 1.00 0.42 C ATOM 1292 C LEU A 89 52.137 -54.551 -81.386 1.00 41.52 C ATOM 1293 O LEU A 89 51.975 -53.626 -80.589 1.00 33.33 O ATOM 1294 CB LEU A 89 53.161 -56.735 -80.726 1.00 5.13 C ATOM 1295 CG LEU A 89 53.203 -56.765 -79.197 1.00 40.14 C ATOM 1296 CD1 LEU A 89 54.639 -56.692 -78.701 1.00 14.41 C ATOM 1297 CD2 LEU A 89 52.378 -55.625 -78.619 1.00 12.30 C ATOM 0 H LEU A 89 54.309 -54.520 -79.681 1.00 31.41 H new ATOM 0 HA LEU A 89 53.739 -55.530 -82.409 1.00 0.42 H new ATOM 0 HB2 LEU A 89 52.183 -57.090 -81.050 1.00 5.13 H new ATOM 0 HB3 LEU A 89 53.898 -57.443 -81.104 1.00 5.13 H new ATOM 0 HG LEU A 89 52.771 -57.707 -78.859 1.00 40.14 H new ATOM 0 HD11 LEU A 89 54.649 -56.715 -77.611 1.00 14.41 H new ATOM 0 HD12 LEU A 89 55.201 -57.543 -79.087 1.00 14.41 H new ATOM 0 HD13 LEU A 89 55.098 -55.766 -79.049 1.00 14.41 H new ATOM 0 HD21 LEU A 89 52.419 -55.662 -77.530 1.00 12.30 H new ATOM 0 HD22 LEU A 89 52.780 -54.673 -78.965 1.00 12.30 H new ATOM 0 HD23 LEU A 89 51.343 -55.722 -78.946 1.00 12.30 H new ATOM 1309 N THR A 90 51.226 -54.892 -82.292 1.00 51.21 N ATOM 1310 CA THR A 90 49.957 -54.184 -82.404 1.00 12.02 C ATOM 1311 C THR A 90 49.345 -53.932 -81.031 1.00 31.14 C ATOM 1312 O THR A 90 49.185 -54.856 -80.232 1.00 30.12 O ATOM 1313 CB THR A 90 48.950 -54.969 -83.266 1.00 11.41 C ATOM 1314 OG1 THR A 90 47.735 -54.223 -83.400 1.00 73.32 O ATOM 1315 CG2 THR A 90 48.652 -56.327 -82.649 1.00 2.23 C ATOM 0 H THR A 90 51.344 -55.655 -82.959 1.00 51.21 H new ATOM 0 HA THR A 90 50.169 -53.229 -82.885 1.00 12.02 H new ATOM 0 HB THR A 90 49.391 -55.125 -84.250 1.00 11.41 H new ATOM 0 HG1 THR A 90 47.214 -54.579 -84.150 1.00 73.32 H new ATOM 0 HG21 THR A 90 47.939 -56.863 -83.275 1.00 2.23 H new ATOM 0 HG22 THR A 90 49.574 -56.903 -82.575 1.00 2.23 H new ATOM 0 HG23 THR A 90 48.229 -56.190 -81.654 1.00 2.23 H new ATOM 1323 N LEU A 91 49.004 -52.677 -80.761 1.00 54.14 N ATOM 1324 CA LEU A 91 48.408 -52.303 -79.483 1.00 74.34 C ATOM 1325 C LEU A 91 47.041 -52.958 -79.307 1.00 64.44 C ATOM 1326 O LEU A 91 46.587 -53.180 -78.185 1.00 25.12 O ATOM 1327 CB LEU A 91 48.273 -50.783 -79.386 1.00 41.41 C ATOM 1328 CG LEU A 91 47.083 -50.166 -80.122 1.00 1.42 C ATOM 1329 CD1 LEU A 91 46.914 -48.705 -79.733 1.00 63.13 C ATOM 1330 CD2 LEU A 91 47.258 -50.302 -81.627 1.00 72.23 C ATOM 0 H LEU A 91 49.130 -51.901 -81.410 1.00 54.14 H new ATOM 0 HA LEU A 91 49.065 -52.655 -78.687 1.00 74.34 H new ATOM 0 HB2 LEU A 91 48.204 -50.511 -78.333 1.00 41.41 H new ATOM 0 HB3 LEU A 91 49.187 -50.332 -79.772 1.00 41.41 H new ATOM 0 HG LEU A 91 46.181 -50.705 -79.831 1.00 1.42 H new ATOM 0 HD11 LEU A 91 46.063 -48.283 -80.267 1.00 63.13 H new ATOM 0 HD12 LEU A 91 46.742 -48.632 -78.659 1.00 63.13 H new ATOM 0 HD13 LEU A 91 47.816 -48.152 -79.994 1.00 63.13 H new ATOM 0 HD21 LEU A 91 46.402 -49.858 -82.134 1.00 72.23 H new ATOM 0 HD22 LEU A 91 48.169 -49.789 -81.935 1.00 72.23 H new ATOM 0 HD23 LEU A 91 47.329 -51.357 -81.891 1.00 72.23 H new ATOM 1342 N VAL A 92 46.391 -53.268 -80.425 1.00 11.14 N ATOM 1343 CA VAL A 92 45.078 -53.901 -80.394 1.00 71.03 C ATOM 1344 C VAL A 92 45.117 -55.211 -79.616 1.00 24.22 C ATOM 1345 O VAL A 92 44.095 -55.681 -79.117 1.00 75.53 O ATOM 1346 CB VAL A 92 44.555 -54.177 -81.816 1.00 70.25 C ATOM 1347 CG1 VAL A 92 44.693 -52.937 -82.686 1.00 71.14 C ATOM 1348 CG2 VAL A 92 45.291 -55.357 -82.434 1.00 54.45 C ATOM 0 H VAL A 92 46.752 -53.091 -81.362 1.00 11.14 H new ATOM 0 HA VAL A 92 44.403 -53.206 -79.895 1.00 71.03 H new ATOM 0 HB VAL A 92 43.497 -54.431 -81.753 1.00 70.25 H new ATOM 0 HG11 VAL A 92 44.318 -53.151 -83.687 1.00 71.14 H new ATOM 0 HG12 VAL A 92 44.117 -52.121 -82.250 1.00 71.14 H new ATOM 0 HG13 VAL A 92 45.743 -52.649 -82.745 1.00 71.14 H new ATOM 0 HG21 VAL A 92 44.909 -55.538 -83.439 1.00 54.45 H new ATOM 0 HG22 VAL A 92 46.357 -55.134 -82.486 1.00 54.45 H new ATOM 0 HG23 VAL A 92 45.135 -56.245 -81.821 1.00 54.45 H new ATOM 1358 N LYS A 93 46.306 -55.797 -79.514 1.00 74.24 N ATOM 1359 CA LYS A 93 46.481 -57.053 -78.795 1.00 30.21 C ATOM 1360 C LYS A 93 46.199 -56.872 -77.307 1.00 3.32 C ATOM 1361 O LYS A 93 45.441 -57.637 -76.711 1.00 61.22 O ATOM 1362 CB LYS A 93 47.902 -57.585 -78.995 1.00 31.03 C ATOM 1363 CG LYS A 93 48.168 -58.896 -78.274 1.00 53.43 C ATOM 1364 CD LYS A 93 49.043 -58.691 -77.049 1.00 14.20 C ATOM 1365 CE LYS A 93 49.570 -60.013 -76.513 1.00 74.22 C ATOM 1366 NZ LYS A 93 51.052 -60.103 -76.619 1.00 62.43 N ATOM 0 H LYS A 93 47.163 -55.421 -79.921 1.00 74.24 H new ATOM 0 HA LYS A 93 45.770 -57.775 -79.196 1.00 30.21 H new ATOM 0 HB2 LYS A 93 48.083 -57.723 -80.061 1.00 31.03 H new ATOM 0 HB3 LYS A 93 48.614 -56.837 -78.646 1.00 31.03 H new ATOM 0 HG2 LYS A 93 47.222 -59.346 -77.975 1.00 53.43 H new ATOM 0 HG3 LYS A 93 48.653 -59.595 -78.955 1.00 53.43 H new ATOM 0 HD2 LYS A 93 49.880 -58.041 -77.303 1.00 14.20 H new ATOM 0 HD3 LYS A 93 48.470 -58.185 -76.272 1.00 14.20 H new ATOM 0 HE2 LYS A 93 49.273 -60.126 -75.470 1.00 74.22 H new ATOM 0 HE3 LYS A 93 49.116 -60.836 -77.065 1.00 74.22 H new ATOM 0 HZ1 LYS A 93 51.372 -61.019 -76.243 1.00 62.43 H new ATOM 0 HZ2 LYS A 93 51.334 -60.020 -77.617 1.00 62.43 H new ATOM 0 HZ3 LYS A 93 51.487 -59.333 -76.071 1.00 62.43 H new ATOM 1380 N ARG A 94 46.813 -55.854 -76.713 1.00 2.41 N ATOM 1381 CA ARG A 94 46.628 -55.572 -75.294 1.00 52.15 C ATOM 1382 C ARG A 94 45.199 -55.114 -75.013 1.00 65.52 C ATOM 1383 O ARG A 94 44.598 -55.502 -74.011 1.00 21.30 O ATOM 1384 CB ARG A 94 47.618 -54.502 -74.832 1.00 11.35 C ATOM 1385 CG ARG A 94 49.065 -54.966 -74.842 1.00 3.32 C ATOM 1386 CD ARG A 94 49.548 -55.315 -73.443 1.00 4.42 C ATOM 1387 NE ARG A 94 49.315 -56.719 -73.118 1.00 22.23 N ATOM 1388 CZ ARG A 94 49.424 -57.217 -71.891 1.00 61.51 C ATOM 1389 NH1 ARG A 94 49.760 -56.429 -70.879 1.00 63.43 N ATOM 1390 NH2 ARG A 94 49.196 -58.507 -71.675 1.00 11.43 N ATOM 0 H ARG A 94 47.443 -55.211 -77.192 1.00 2.41 H new ATOM 0 HA ARG A 94 46.813 -56.492 -74.739 1.00 52.15 H new ATOM 0 HB2 ARG A 94 47.521 -53.628 -75.476 1.00 11.35 H new ATOM 0 HB3 ARG A 94 47.354 -54.186 -73.823 1.00 11.35 H new ATOM 0 HG2 ARG A 94 49.165 -55.837 -75.490 1.00 3.32 H new ATOM 0 HG3 ARG A 94 49.696 -54.183 -75.261 1.00 3.32 H new ATOM 0 HD2 ARG A 94 50.613 -55.096 -73.362 1.00 4.42 H new ATOM 0 HD3 ARG A 94 49.037 -54.685 -72.715 1.00 4.42 H new ATOM 0 HE ARG A 94 49.054 -57.352 -73.874 1.00 22.23 H new ATOM 0 HH11 ARG A 94 49.936 -55.437 -71.041 1.00 63.43 H new ATOM 0 HH12 ARG A 94 49.843 -56.814 -69.938 1.00 63.43 H new ATOM 0 HH21 ARG A 94 48.937 -59.116 -72.451 1.00 11.43 H new ATOM 0 HH22 ARG A 94 49.280 -58.889 -70.733 1.00 11.43 H new ATOM 1404 N HIS A 95 44.662 -54.287 -75.904 1.00 62.12 N ATOM 1405 CA HIS A 95 43.304 -53.777 -75.752 1.00 4.41 C ATOM 1406 C HIS A 95 42.280 -54.892 -75.939 1.00 64.01 C ATOM 1407 O HIS A 95 41.224 -54.889 -75.307 1.00 64.33 O ATOM 1408 CB HIS A 95 43.043 -52.655 -76.757 1.00 41.51 C ATOM 1409 CG HIS A 95 41.599 -52.506 -77.127 1.00 65.35 C ATOM 1410 ND1 HIS A 95 41.145 -52.577 -78.427 1.00 51.45 N ATOM 1411 CD2 HIS A 95 40.506 -52.292 -76.359 1.00 72.32 C ATOM 1412 CE1 HIS A 95 39.834 -52.410 -78.443 1.00 25.31 C ATOM 1413 NE2 HIS A 95 39.422 -52.236 -77.200 1.00 72.43 N ATOM 0 H HIS A 95 45.146 -53.956 -76.738 1.00 62.12 H new ATOM 0 HA HIS A 95 43.202 -53.381 -74.742 1.00 4.41 H new ATOM 0 HB2 HIS A 95 43.402 -51.714 -76.340 1.00 41.51 H new ATOM 0 HB3 HIS A 95 43.623 -52.845 -77.660 1.00 41.51 H new ATOM 0 HD1 HIS A 95 41.730 -52.734 -79.248 1.00 51.45 H new ATOM 0 HD2 HIS A 95 40.489 -52.185 -75.284 1.00 72.32 H new ATOM 0 HE1 HIS A 95 39.207 -52.415 -79.322 1.00 25.31 H new ATOM 1421 N GLN A 96 42.601 -55.843 -76.811 1.00 53.51 N ATOM 1422 CA GLN A 96 41.707 -56.963 -77.082 1.00 4.32 C ATOM 1423 C GLN A 96 41.713 -57.955 -75.924 1.00 34.30 C ATOM 1424 O GLN A 96 40.697 -58.586 -75.629 1.00 32.25 O ATOM 1425 CB GLN A 96 42.117 -57.668 -78.376 1.00 22.12 C ATOM 1426 CG GLN A 96 41.379 -58.975 -78.617 1.00 13.24 C ATOM 1427 CD GLN A 96 41.390 -59.392 -80.074 1.00 44.20 C ATOM 1428 OE1 GLN A 96 42.432 -59.369 -80.730 1.00 2.40 O ATOM 1429 NE2 GLN A 96 40.229 -59.777 -80.589 1.00 54.33 N ATOM 0 H GLN A 96 43.472 -55.860 -77.341 1.00 53.51 H new ATOM 0 HA GLN A 96 40.696 -56.571 -77.195 1.00 4.32 H new ATOM 0 HB2 GLN A 96 41.937 -56.999 -79.217 1.00 22.12 H new ATOM 0 HB3 GLN A 96 43.189 -57.865 -78.349 1.00 22.12 H new ATOM 0 HG2 GLN A 96 41.834 -59.761 -78.015 1.00 13.24 H new ATOM 0 HG3 GLN A 96 40.347 -58.873 -78.280 1.00 13.24 H new ATOM 0 HE21 GLN A 96 39.390 -59.781 -80.009 1.00 54.33 H new ATOM 0 HE22 GLN A 96 40.176 -60.069 -81.565 1.00 54.33 H new ATOM 1438 N LEU A 97 42.862 -58.090 -75.272 1.00 1.42 N ATOM 1439 CA LEU A 97 43.000 -59.006 -74.145 1.00 61.44 C ATOM 1440 C LEU A 97 42.128 -58.566 -72.974 1.00 54.45 C ATOM 1441 O LEU A 97 41.352 -59.355 -72.434 1.00 3.11 O ATOM 1442 CB LEU A 97 44.463 -59.087 -73.704 1.00 74.24 C ATOM 1443 CG LEU A 97 45.371 -59.978 -74.553 1.00 2.34 C ATOM 1444 CD1 LEU A 97 46.809 -59.890 -74.066 1.00 24.50 C ATOM 1445 CD2 LEU A 97 44.883 -61.419 -74.524 1.00 0.20 C ATOM 0 H LEU A 97 43.712 -57.577 -75.504 1.00 1.42 H new ATOM 0 HA LEU A 97 42.669 -59.993 -74.469 1.00 61.44 H new ATOM 0 HB2 LEU A 97 44.877 -58.079 -73.701 1.00 74.24 H new ATOM 0 HB3 LEU A 97 44.492 -59.447 -72.676 1.00 74.24 H new ATOM 0 HG LEU A 97 45.335 -59.625 -75.584 1.00 2.34 H new ATOM 0 HD11 LEU A 97 47.441 -60.530 -74.681 1.00 24.50 H new ATOM 0 HD12 LEU A 97 47.156 -58.859 -74.139 1.00 24.50 H new ATOM 0 HD13 LEU A 97 46.862 -60.218 -73.028 1.00 24.50 H new ATOM 0 HD21 LEU A 97 45.541 -62.038 -75.133 1.00 0.20 H new ATOM 0 HD22 LEU A 97 44.889 -61.785 -73.497 1.00 0.20 H new ATOM 0 HD23 LEU A 97 43.869 -61.468 -74.921 1.00 0.20 H new ATOM 1457 N ILE A 98 42.258 -57.301 -72.589 1.00 42.45 N ATOM 1458 CA ILE A 98 41.479 -56.755 -71.485 1.00 42.51 C ATOM 1459 C ILE A 98 40.083 -56.349 -71.945 1.00 32.41 C ATOM 1460 O ILE A 98 39.161 -56.234 -71.137 1.00 31.41 O ATOM 1461 CB ILE A 98 42.175 -55.533 -70.855 1.00 73.15 C ATOM 1462 CG1 ILE A 98 42.299 -54.405 -71.881 1.00 41.33 C ATOM 1463 CG2 ILE A 98 43.544 -55.922 -70.319 1.00 1.32 C ATOM 1464 CD1 ILE A 98 42.350 -53.026 -71.260 1.00 72.42 C ATOM 0 H ILE A 98 42.896 -56.635 -73.025 1.00 42.45 H new ATOM 0 HA ILE A 98 41.398 -57.543 -70.736 1.00 42.51 H new ATOM 0 HB ILE A 98 41.569 -55.176 -70.022 1.00 73.15 H new ATOM 0 HG12 ILE A 98 43.200 -54.561 -72.474 1.00 41.33 H new ATOM 0 HG13 ILE A 98 41.454 -54.455 -72.567 1.00 41.33 H new ATOM 0 HG21 ILE A 98 44.023 -55.048 -69.877 1.00 1.32 H new ATOM 0 HG22 ILE A 98 43.431 -56.697 -69.560 1.00 1.32 H new ATOM 0 HG23 ILE A 98 44.160 -56.300 -71.135 1.00 1.32 H new ATOM 0 HD11 ILE A 98 42.438 -52.276 -72.046 1.00 72.42 H new ATOM 0 HD12 ILE A 98 41.438 -52.849 -70.691 1.00 72.42 H new ATOM 0 HD13 ILE A 98 43.211 -52.958 -70.595 1.00 72.42 H new ATOM 1476 N TYR A 99 39.934 -56.136 -73.247 1.00 53.14 N ATOM 1477 CA TYR A 99 38.650 -55.743 -73.815 1.00 54.04 C ATOM 1478 C TYR A 99 37.930 -54.754 -72.904 1.00 3.25 C ATOM 1479 O TYR A 99 36.726 -54.863 -72.677 1.00 60.11 O ATOM 1480 CB TYR A 99 37.771 -56.974 -74.044 1.00 64.24 C ATOM 1481 CG TYR A 99 37.663 -57.874 -72.834 1.00 63.44 C ATOM 1482 CD1 TYR A 99 36.681 -57.666 -71.874 1.00 71.03 C ATOM 1483 CD2 TYR A 99 38.543 -58.934 -72.652 1.00 23.21 C ATOM 1484 CE1 TYR A 99 36.579 -58.486 -70.767 1.00 1.40 C ATOM 1485 CE2 TYR A 99 38.448 -59.760 -71.548 1.00 40.23 C ATOM 1486 CZ TYR A 99 37.465 -59.531 -70.609 1.00 33.15 C ATOM 1487 OH TYR A 99 37.366 -60.351 -69.508 1.00 13.45 O ATOM 0 H TYR A 99 40.686 -56.229 -73.929 1.00 53.14 H new ATOM 0 HA TYR A 99 38.840 -55.256 -74.772 1.00 54.04 H new ATOM 0 HB2 TYR A 99 36.772 -56.648 -74.334 1.00 64.24 H new ATOM 0 HB3 TYR A 99 38.174 -57.548 -74.878 1.00 64.24 H new ATOM 0 HD1 TYR A 99 35.985 -56.849 -71.995 1.00 71.03 H new ATOM 0 HD2 TYR A 99 39.314 -59.115 -73.386 1.00 23.21 H new ATOM 0 HE1 TYR A 99 35.810 -58.310 -70.030 1.00 1.40 H new ATOM 0 HE2 TYR A 99 39.140 -60.580 -71.422 1.00 40.23 H new ATOM 0 HH TYR A 99 38.064 -61.038 -69.548 1.00 13.45 H new ATOM 1497 N GLY A 100 38.679 -53.786 -72.383 1.00 23.44 N ATOM 1498 CA GLY A 100 38.098 -52.791 -71.502 1.00 15.43 C ATOM 1499 C GLY A 100 37.389 -51.687 -72.262 1.00 3.11 C ATOM 1500 O GLY A 100 36.345 -51.196 -71.830 1.00 23.21 O ATOM 0 H GLY A 100 39.678 -53.674 -72.556 1.00 23.44 H new ATOM 0 HA2 GLY A 100 37.392 -53.275 -70.828 1.00 15.43 H new ATOM 0 HA3 GLY A 100 38.883 -52.356 -70.883 1.00 15.43 H new ATOM 1504 N LEU A 101 37.958 -51.293 -73.396 1.00 74.43 N ATOM 1505 CA LEU A 101 37.375 -50.239 -74.218 1.00 53.44 C ATOM 1506 C LEU A 101 36.082 -50.712 -74.875 1.00 52.21 C ATOM 1507 O LEU A 101 35.785 -51.907 -74.897 1.00 64.24 O ATOM 1508 CB LEU A 101 38.370 -49.791 -75.290 1.00 63.10 C ATOM 1509 CG LEU A 101 38.344 -48.306 -75.653 1.00 13.14 C ATOM 1510 CD1 LEU A 101 38.631 -47.452 -74.427 1.00 60.14 C ATOM 1511 CD2 LEU A 101 39.346 -48.009 -76.759 1.00 14.12 C ATOM 0 H LEU A 101 38.822 -51.688 -73.767 1.00 74.43 H new ATOM 0 HA LEU A 101 37.144 -49.394 -73.570 1.00 53.44 H new ATOM 0 HB2 LEU A 101 39.375 -50.044 -74.953 1.00 63.10 H new ATOM 0 HB3 LEU A 101 38.183 -50.369 -76.195 1.00 63.10 H new ATOM 0 HG LEU A 101 37.347 -48.058 -76.018 1.00 13.14 H new ATOM 0 HD11 LEU A 101 38.608 -46.398 -74.704 1.00 60.14 H new ATOM 0 HD12 LEU A 101 37.875 -47.643 -73.665 1.00 60.14 H new ATOM 0 HD13 LEU A 101 39.616 -47.702 -74.032 1.00 60.14 H new ATOM 0 HD21 LEU A 101 39.313 -46.947 -77.004 1.00 14.12 H new ATOM 0 HD22 LEU A 101 40.348 -48.273 -76.422 1.00 14.12 H new ATOM 0 HD23 LEU A 101 39.095 -48.594 -77.644 1.00 14.12 H new ATOM 1523 N LEU A 102 35.316 -49.767 -75.411 1.00 25.33 N ATOM 1524 CA LEU A 102 34.056 -50.087 -76.071 1.00 35.32 C ATOM 1525 C LEU A 102 33.048 -50.654 -75.075 1.00 42.05 C ATOM 1526 O LEU A 102 32.857 -51.867 -74.994 1.00 35.24 O ATOM 1527 CB LEU A 102 34.290 -51.089 -77.203 1.00 13.00 C ATOM 1528 CG LEU A 102 33.258 -51.079 -78.332 1.00 23.42 C ATOM 1529 CD1 LEU A 102 33.729 -50.197 -79.477 1.00 61.15 C ATOM 1530 CD2 LEU A 102 32.991 -52.495 -78.822 1.00 35.04 C ATOM 0 H LEU A 102 35.546 -48.773 -75.401 1.00 25.33 H new ATOM 0 HA LEU A 102 33.649 -49.166 -76.488 1.00 35.32 H new ATOM 0 HB2 LEU A 102 35.273 -50.897 -77.634 1.00 13.00 H new ATOM 0 HB3 LEU A 102 34.320 -52.091 -76.774 1.00 13.00 H new ATOM 0 HG LEU A 102 32.326 -50.668 -77.944 1.00 23.42 H new ATOM 0 HD11 LEU A 102 32.982 -50.202 -80.271 1.00 61.15 H new ATOM 0 HD12 LEU A 102 33.869 -49.178 -79.117 1.00 61.15 H new ATOM 0 HD13 LEU A 102 34.674 -50.578 -79.865 1.00 61.15 H new ATOM 0 HD21 LEU A 102 32.254 -52.469 -79.625 1.00 35.04 H new ATOM 0 HD22 LEU A 102 33.918 -52.932 -79.193 1.00 35.04 H new ATOM 0 HD23 LEU A 102 32.609 -53.099 -77.999 1.00 35.04 H new ATOM 1542 N SER A 103 32.406 -49.767 -74.322 1.00 74.30 N ATOM 1543 CA SER A 103 31.419 -50.179 -73.331 1.00 34.12 C ATOM 1544 C SER A 103 30.522 -49.009 -72.939 1.00 14.13 C ATOM 1545 O SER A 103 29.461 -48.801 -73.528 1.00 34.23 O ATOM 1546 CB SER A 103 32.115 -50.741 -72.090 1.00 13.13 C ATOM 1547 OG SER A 103 33.406 -50.179 -71.931 1.00 12.22 O ATOM 0 H SER A 103 32.551 -48.759 -74.379 1.00 74.30 H new ATOM 0 HA SER A 103 30.798 -50.958 -73.774 1.00 34.12 H new ATOM 0 HB2 SER A 103 31.513 -50.533 -71.206 1.00 13.13 H new ATOM 0 HB3 SER A 103 32.195 -51.825 -72.173 1.00 13.13 H new ATOM 0 HG SER A 103 34.076 -50.894 -71.929 1.00 12.22 H new ATOM 1553 N ASP A 104 30.956 -48.248 -71.940 1.00 52.34 N ATOM 1554 CA ASP A 104 30.194 -47.097 -71.469 1.00 32.12 C ATOM 1555 C ASP A 104 30.421 -45.888 -72.371 1.00 23.02 C ATOM 1556 O ASP A 104 29.631 -44.945 -72.371 1.00 71.10 O ATOM 1557 CB ASP A 104 30.583 -46.756 -70.030 1.00 10.24 C ATOM 1558 CG ASP A 104 29.623 -45.773 -69.388 1.00 4.00 C ATOM 1559 OD1 ASP A 104 29.603 -44.599 -69.814 1.00 4.13 O ATOM 1560 OD2 ASP A 104 28.892 -46.178 -68.461 1.00 31.03 O ATOM 0 H ASP A 104 31.831 -48.407 -71.441 1.00 52.34 H new ATOM 0 HA ASP A 104 29.136 -47.356 -71.500 1.00 32.12 H new ATOM 0 HB2 ASP A 104 30.612 -47.671 -69.438 1.00 10.24 H new ATOM 0 HB3 ASP A 104 31.589 -46.337 -70.018 1.00 10.24 H new ATOM 1565 N GLU A 105 31.507 -45.923 -73.137 1.00 24.43 N ATOM 1566 CA GLU A 105 31.839 -44.829 -74.042 1.00 21.15 C ATOM 1567 C GLU A 105 30.679 -44.536 -74.989 1.00 2.33 C ATOM 1568 O GLU A 105 30.373 -43.378 -75.273 1.00 51.40 O ATOM 1569 CB GLU A 105 33.096 -45.166 -74.846 1.00 62.30 C ATOM 1570 CG GLU A 105 33.006 -44.770 -76.310 1.00 62.32 C ATOM 1571 CD GLU A 105 34.258 -45.126 -77.089 1.00 10.23 C ATOM 1572 OE1 GLU A 105 35.019 -45.998 -76.620 1.00 64.03 O ATOM 1573 OE2 GLU A 105 34.476 -44.532 -78.165 1.00 64.33 O ATOM 0 H GLU A 105 32.171 -46.697 -73.149 1.00 24.43 H new ATOM 0 HA GLU A 105 32.029 -43.939 -73.441 1.00 21.15 H new ATOM 0 HB2 GLU A 105 33.952 -44.664 -74.394 1.00 62.30 H new ATOM 0 HB3 GLU A 105 33.284 -46.238 -74.779 1.00 62.30 H new ATOM 0 HG2 GLU A 105 32.147 -45.264 -76.764 1.00 62.32 H new ATOM 0 HG3 GLU A 105 32.831 -43.697 -76.382 1.00 62.32 H new ATOM 1580 N PHE A 106 30.038 -45.593 -75.475 1.00 30.32 N ATOM 1581 CA PHE A 106 28.913 -45.450 -76.391 1.00 72.44 C ATOM 1582 C PHE A 106 27.847 -44.529 -75.805 1.00 31.53 C ATOM 1583 O PHE A 106 27.214 -43.756 -76.524 1.00 34.23 O ATOM 1584 CB PHE A 106 28.305 -46.819 -76.703 1.00 74.41 C ATOM 1585 CG PHE A 106 27.114 -46.753 -77.616 1.00 41.55 C ATOM 1586 CD1 PHE A 106 27.279 -46.551 -78.977 1.00 61.45 C ATOM 1587 CD2 PHE A 106 25.830 -46.891 -77.114 1.00 63.34 C ATOM 1588 CE1 PHE A 106 26.185 -46.489 -79.820 1.00 2.41 C ATOM 1589 CE2 PHE A 106 24.733 -46.830 -77.952 1.00 54.11 C ATOM 1590 CZ PHE A 106 24.911 -46.629 -79.307 1.00 35.31 C ATOM 0 H PHE A 106 30.278 -46.558 -75.250 1.00 30.32 H new ATOM 0 HA PHE A 106 29.283 -45.005 -77.315 1.00 72.44 H new ATOM 0 HB2 PHE A 106 29.067 -47.451 -77.159 1.00 74.41 H new ATOM 0 HB3 PHE A 106 28.011 -47.298 -75.769 1.00 74.41 H new ATOM 0 HD1 PHE A 106 28.273 -46.441 -79.384 1.00 61.45 H new ATOM 0 HD2 PHE A 106 25.685 -47.048 -76.055 1.00 63.34 H new ATOM 0 HE1 PHE A 106 26.327 -46.331 -80.879 1.00 2.41 H new ATOM 0 HE2 PHE A 106 23.737 -46.939 -77.548 1.00 54.11 H new ATOM 0 HZ PHE A 106 24.055 -46.581 -79.964 1.00 35.31 H new ATOM 1600 N LYS A 107 27.654 -44.618 -74.493 1.00 74.42 N ATOM 1601 CA LYS A 107 26.666 -43.794 -73.807 1.00 73.03 C ATOM 1602 C LYS A 107 26.995 -42.312 -73.958 1.00 34.20 C ATOM 1603 O LYS A 107 26.100 -41.468 -73.990 1.00 35.31 O ATOM 1604 CB LYS A 107 26.603 -44.165 -72.324 1.00 30.11 C ATOM 1605 CG LYS A 107 25.766 -43.209 -71.493 1.00 12.44 C ATOM 1606 CD LYS A 107 24.891 -43.953 -70.498 1.00 74.34 C ATOM 1607 CE LYS A 107 25.519 -43.980 -69.113 1.00 51.04 C ATOM 1608 NZ LYS A 107 25.636 -45.367 -68.584 1.00 45.04 N ATOM 0 H LYS A 107 28.169 -45.253 -73.883 1.00 74.42 H new ATOM 0 HA LYS A 107 25.694 -43.981 -74.263 1.00 73.03 H new ATOM 0 HB2 LYS A 107 26.194 -45.171 -72.227 1.00 30.11 H new ATOM 0 HB3 LYS A 107 27.616 -44.192 -71.922 1.00 30.11 H new ATOM 0 HG2 LYS A 107 26.421 -42.521 -70.959 1.00 12.44 H new ATOM 0 HG3 LYS A 107 25.139 -42.607 -72.151 1.00 12.44 H new ATOM 0 HD2 LYS A 107 23.912 -43.476 -70.445 1.00 74.34 H new ATOM 0 HD3 LYS A 107 24.730 -44.974 -70.845 1.00 74.34 H new ATOM 0 HE2 LYS A 107 26.507 -43.522 -69.153 1.00 51.04 H new ATOM 0 HE3 LYS A 107 24.918 -43.380 -68.430 1.00 51.04 H new ATOM 0 HZ1 LYS A 107 26.069 -45.343 -67.639 1.00 45.04 H new ATOM 0 HZ2 LYS A 107 24.690 -45.796 -68.521 1.00 45.04 H new ATOM 0 HZ3 LYS A 107 26.231 -45.933 -69.222 1.00 45.04 H new ATOM 1622 N ALA A 108 28.284 -42.003 -74.052 1.00 32.44 N ATOM 1623 CA ALA A 108 28.730 -40.624 -74.203 1.00 11.03 C ATOM 1624 C ALA A 108 28.330 -40.063 -75.563 1.00 73.42 C ATOM 1625 O ALA A 108 27.818 -38.949 -75.660 1.00 73.00 O ATOM 1626 CB ALA A 108 30.237 -40.533 -74.015 1.00 21.21 C ATOM 0 H ALA A 108 29.038 -42.690 -74.026 1.00 32.44 H new ATOM 0 HA ALA A 108 28.242 -40.025 -73.434 1.00 11.03 H new ATOM 0 HB1 ALA A 108 30.556 -39.497 -74.131 1.00 21.21 H new ATOM 0 HB2 ALA A 108 30.501 -40.885 -73.018 1.00 21.21 H new ATOM 0 HB3 ALA A 108 30.735 -41.152 -74.762 1.00 21.21 H new ATOM 1632 N GLY A 109 28.567 -40.844 -76.613 1.00 45.11 N ATOM 1633 CA GLY A 109 28.226 -40.407 -77.954 1.00 62.44 C ATOM 1634 C GLY A 109 29.447 -40.026 -78.768 1.00 52.01 C ATOM 1635 O GLY A 109 29.343 -39.745 -79.963 1.00 12.42 O ATOM 0 H GLY A 109 28.989 -41.771 -76.559 1.00 45.11 H new ATOM 0 HA2 GLY A 109 27.686 -41.203 -78.466 1.00 62.44 H new ATOM 0 HA3 GLY A 109 27.552 -39.552 -77.894 1.00 62.44 H new ATOM 1639 N LEU A 110 30.607 -40.014 -78.121 1.00 60.42 N ATOM 1640 CA LEU A 110 31.854 -39.663 -78.792 1.00 53.33 C ATOM 1641 C LEU A 110 32.848 -40.818 -78.735 1.00 33.30 C ATOM 1642 O LEU A 110 32.919 -41.541 -77.740 1.00 42.23 O ATOM 1643 CB LEU A 110 32.466 -38.416 -78.152 1.00 43.20 C ATOM 1644 CG LEU A 110 32.270 -38.271 -76.643 1.00 14.24 C ATOM 1645 CD1 LEU A 110 30.823 -37.928 -76.323 1.00 73.53 C ATOM 1646 CD2 LEU A 110 32.689 -39.546 -75.925 1.00 52.32 C ATOM 0 H LEU A 110 30.710 -40.243 -77.132 1.00 60.42 H new ATOM 0 HA LEU A 110 31.629 -39.454 -79.838 1.00 53.33 H new ATOM 0 HB2 LEU A 110 33.536 -38.413 -78.361 1.00 43.20 H new ATOM 0 HB3 LEU A 110 32.043 -37.537 -78.639 1.00 43.20 H new ATOM 0 HG LEU A 110 32.902 -37.455 -76.291 1.00 14.24 H new ATOM 0 HD11 LEU A 110 30.703 -37.829 -75.244 1.00 73.53 H new ATOM 0 HD12 LEU A 110 30.557 -36.988 -76.806 1.00 73.53 H new ATOM 0 HD13 LEU A 110 30.171 -38.721 -76.689 1.00 73.53 H new ATOM 0 HD21 LEU A 110 32.542 -39.424 -74.852 1.00 52.32 H new ATOM 0 HD22 LEU A 110 32.084 -40.380 -76.281 1.00 52.32 H new ATOM 0 HD23 LEU A 110 33.741 -39.748 -76.127 1.00 52.32 H new ATOM 1658 N HIS A 111 33.615 -40.986 -79.807 1.00 51.15 N ATOM 1659 CA HIS A 111 34.608 -42.052 -79.878 1.00 73.32 C ATOM 1660 C HIS A 111 35.585 -41.963 -78.710 1.00 43.33 C ATOM 1661 O HIS A 111 35.446 -41.108 -77.836 1.00 43.32 O ATOM 1662 CB HIS A 111 35.369 -41.982 -81.202 1.00 71.13 C ATOM 1663 CG HIS A 111 35.360 -43.270 -81.967 1.00 41.22 C ATOM 1664 ND1 HIS A 111 35.349 -43.327 -83.345 1.00 2.31 N ATOM 1665 CD2 HIS A 111 35.363 -44.554 -81.539 1.00 54.20 C ATOM 1666 CE1 HIS A 111 35.343 -44.590 -83.731 1.00 64.11 C ATOM 1667 NE2 HIS A 111 35.352 -45.355 -82.654 1.00 52.03 N ATOM 0 H HIS A 111 33.568 -40.398 -80.639 1.00 51.15 H new ATOM 0 HA HIS A 111 34.085 -43.007 -79.819 1.00 73.32 H new ATOM 0 HB2 HIS A 111 34.933 -41.198 -81.821 1.00 71.13 H new ATOM 0 HB3 HIS A 111 36.401 -41.694 -81.003 1.00 71.13 H new ATOM 0 HD2 HIS A 111 35.372 -44.887 -80.512 1.00 54.20 H new ATOM 0 HE1 HIS A 111 35.333 -44.938 -84.753 1.00 64.11 H new ATOM 0 HE2 HIS A 111 35.351 -46.375 -82.651 1.00 52.03 H new ATOM 1675 N ALA A 112 36.573 -42.851 -78.703 1.00 24.44 N ATOM 1676 CA ALA A 112 37.574 -42.872 -77.643 1.00 44.52 C ATOM 1677 C ALA A 112 38.964 -43.151 -78.206 1.00 72.21 C ATOM 1678 O ALA A 112 39.104 -43.614 -79.339 1.00 45.30 O ATOM 1679 CB ALA A 112 37.210 -43.910 -76.592 1.00 52.43 C ATOM 0 H ALA A 112 36.702 -43.566 -79.419 1.00 24.44 H new ATOM 0 HA ALA A 112 37.591 -41.888 -77.174 1.00 44.52 H new ATOM 0 HB1 ALA A 112 37.966 -43.914 -75.807 1.00 52.43 H new ATOM 0 HB2 ALA A 112 36.240 -43.665 -76.160 1.00 52.43 H new ATOM 0 HB3 ALA A 112 37.162 -44.896 -77.055 1.00 52.43 H new ATOM 1685 N LEU A 113 39.988 -42.868 -77.409 1.00 11.51 N ATOM 1686 CA LEU A 113 41.368 -43.088 -77.828 1.00 73.11 C ATOM 1687 C LEU A 113 42.074 -44.059 -76.888 1.00 31.44 C ATOM 1688 O LEU A 113 42.107 -43.851 -75.675 1.00 62.32 O ATOM 1689 CB LEU A 113 42.126 -41.761 -77.872 1.00 44.44 C ATOM 1690 CG LEU A 113 41.954 -40.848 -76.658 1.00 21.15 C ATOM 1691 CD1 LEU A 113 43.244 -40.098 -76.366 1.00 43.44 C ATOM 1692 CD2 LEU A 113 40.807 -39.874 -76.881 1.00 12.31 C ATOM 0 H LEU A 113 39.889 -42.486 -76.469 1.00 11.51 H new ATOM 0 HA LEU A 113 41.353 -43.524 -78.827 1.00 73.11 H new ATOM 0 HB2 LEU A 113 43.188 -41.976 -77.992 1.00 44.44 H new ATOM 0 HB3 LEU A 113 41.809 -41.214 -78.760 1.00 44.44 H new ATOM 0 HG LEU A 113 41.715 -41.467 -75.793 1.00 21.15 H new ATOM 0 HD11 LEU A 113 43.102 -39.453 -75.499 1.00 43.44 H new ATOM 0 HD12 LEU A 113 44.041 -40.812 -76.161 1.00 43.44 H new ATOM 0 HD13 LEU A 113 43.515 -39.490 -77.229 1.00 43.44 H new ATOM 0 HD21 LEU A 113 40.699 -39.232 -76.007 1.00 12.31 H new ATOM 0 HD22 LEU A 113 41.016 -39.261 -77.758 1.00 12.31 H new ATOM 0 HD23 LEU A 113 39.883 -40.430 -77.039 1.00 12.31 H new ATOM 1704 N ALA A 114 42.639 -45.120 -77.456 1.00 10.34 N ATOM 1705 CA ALA A 114 43.348 -46.121 -76.669 1.00 4.35 C ATOM 1706 C ALA A 114 44.781 -46.293 -77.163 1.00 33.55 C ATOM 1707 O ALA A 114 45.041 -46.256 -78.365 1.00 22.14 O ATOM 1708 CB ALA A 114 42.608 -47.449 -76.714 1.00 64.40 C ATOM 0 H ALA A 114 42.619 -45.308 -78.458 1.00 10.34 H new ATOM 0 HA ALA A 114 43.387 -45.775 -75.636 1.00 4.35 H new ATOM 0 HB1 ALA A 114 43.149 -48.187 -76.122 1.00 64.40 H new ATOM 0 HB2 ALA A 114 41.605 -47.321 -76.306 1.00 64.40 H new ATOM 0 HB3 ALA A 114 42.539 -47.792 -77.746 1.00 64.40 H new ATOM 1714 N MET A 115 45.706 -46.482 -76.227 1.00 54.10 N ATOM 1715 CA MET A 115 47.112 -46.661 -76.569 1.00 1.14 C ATOM 1716 C MET A 115 47.769 -47.684 -75.647 1.00 43.24 C ATOM 1717 O MET A 115 47.803 -47.507 -74.429 1.00 52.01 O ATOM 1718 CB MET A 115 47.854 -45.326 -76.480 1.00 24.12 C ATOM 1719 CG MET A 115 46.960 -44.117 -76.704 1.00 22.43 C ATOM 1720 SD MET A 115 47.893 -42.628 -77.107 1.00 64.33 S ATOM 1721 CE MET A 115 49.212 -42.717 -75.898 1.00 52.02 C ATOM 0 H MET A 115 45.507 -46.515 -75.227 1.00 54.10 H new ATOM 0 HA MET A 115 47.168 -47.032 -77.593 1.00 1.14 H new ATOM 0 HB2 MET A 115 48.322 -45.245 -75.499 1.00 24.12 H new ATOM 0 HB3 MET A 115 48.656 -45.316 -77.218 1.00 24.12 H new ATOM 0 HG2 MET A 115 46.260 -44.332 -77.512 1.00 22.43 H new ATOM 0 HG3 MET A 115 46.367 -43.938 -75.807 1.00 22.43 H new ATOM 0 HE1 MET A 115 49.367 -41.733 -75.456 1.00 52.02 H new ATOM 0 HE2 MET A 115 48.942 -43.427 -75.116 1.00 52.02 H new ATOM 0 HE3 MET A 115 50.130 -43.045 -76.385 1.00 52.02 H new ATOM 1731 N THR A 116 48.291 -48.755 -76.237 1.00 24.13 N ATOM 1732 CA THR A 116 48.946 -49.807 -75.469 1.00 42.20 C ATOM 1733 C THR A 116 50.356 -50.069 -75.987 1.00 33.21 C ATOM 1734 O THR A 116 50.548 -50.391 -77.160 1.00 40.20 O ATOM 1735 CB THR A 116 48.142 -51.120 -75.515 1.00 11.30 C ATOM 1736 OG1 THR A 116 48.608 -51.943 -76.590 1.00 4.40 O ATOM 1737 CG2 THR A 116 46.657 -50.839 -75.692 1.00 3.10 C ATOM 0 H THR A 116 48.273 -48.917 -77.244 1.00 24.13 H new ATOM 0 HA THR A 116 49.000 -49.459 -74.438 1.00 42.20 H new ATOM 0 HB THR A 116 48.287 -51.642 -74.569 1.00 11.30 H new ATOM 0 HG1 THR A 116 47.845 -52.382 -77.021 1.00 4.40 H new ATOM 0 HG21 THR A 116 46.109 -51.781 -75.722 1.00 3.10 H new ATOM 0 HG22 THR A 116 46.299 -50.237 -74.857 1.00 3.10 H new ATOM 0 HG23 THR A 116 46.498 -50.297 -76.624 1.00 3.10 H new ATOM 1745 N THR A 117 51.341 -49.931 -75.105 1.00 13.22 N ATOM 1746 CA THR A 117 52.733 -50.153 -75.473 1.00 43.51 C ATOM 1747 C THR A 117 53.361 -51.246 -74.616 1.00 42.14 C ATOM 1748 O THR A 117 53.597 -51.056 -73.423 1.00 11.30 O ATOM 1749 CB THR A 117 53.564 -48.863 -75.330 1.00 62.43 C ATOM 1750 OG1 THR A 117 54.961 -49.179 -75.319 1.00 72.54 O ATOM 1751 CG2 THR A 117 53.197 -48.121 -74.054 1.00 60.41 C ATOM 0 H THR A 117 51.200 -49.666 -74.130 1.00 13.22 H new ATOM 0 HA THR A 117 52.738 -50.466 -76.517 1.00 43.51 H new ATOM 0 HB THR A 117 53.344 -48.219 -76.182 1.00 62.43 H new ATOM 0 HG1 THR A 117 55.482 -48.354 -75.229 1.00 72.54 H new ATOM 0 HG21 THR A 117 53.797 -47.214 -73.975 1.00 60.41 H new ATOM 0 HG22 THR A 117 52.140 -47.856 -74.078 1.00 60.41 H new ATOM 0 HG23 THR A 117 53.391 -48.760 -73.193 1.00 60.41 H new ATOM 1759 N LYS A 118 53.631 -52.392 -75.232 1.00 42.23 N ATOM 1760 CA LYS A 118 54.234 -53.516 -74.527 1.00 63.50 C ATOM 1761 C LYS A 118 55.357 -54.137 -75.352 1.00 73.53 C ATOM 1762 O LYS A 118 55.263 -54.231 -76.577 1.00 4.42 O ATOM 1763 CB LYS A 118 53.174 -54.574 -74.211 1.00 24.15 C ATOM 1764 CG LYS A 118 53.721 -55.778 -73.462 1.00 53.40 C ATOM 1765 CD LYS A 118 53.570 -57.054 -74.273 1.00 2.12 C ATOM 1766 CE LYS A 118 54.398 -58.187 -73.686 1.00 74.44 C ATOM 1767 NZ LYS A 118 53.738 -58.799 -72.499 1.00 45.32 N ATOM 0 H LYS A 118 53.441 -52.566 -76.219 1.00 42.23 H new ATOM 0 HA LYS A 118 54.656 -53.143 -73.594 1.00 63.50 H new ATOM 0 HB2 LYS A 118 52.382 -54.117 -73.618 1.00 24.15 H new ATOM 0 HB3 LYS A 118 52.720 -54.912 -75.143 1.00 24.15 H new ATOM 0 HG2 LYS A 118 54.774 -55.616 -73.230 1.00 53.40 H new ATOM 0 HG3 LYS A 118 53.198 -55.885 -72.512 1.00 53.40 H new ATOM 0 HD2 LYS A 118 52.520 -57.346 -74.302 1.00 2.12 H new ATOM 0 HD3 LYS A 118 53.879 -56.871 -75.302 1.00 2.12 H new ATOM 0 HE2 LYS A 118 54.559 -58.951 -74.446 1.00 74.44 H new ATOM 0 HE3 LYS A 118 55.380 -57.809 -73.401 1.00 74.44 H new ATOM 0 HZ1 LYS A 118 54.333 -59.567 -72.128 1.00 45.32 H new ATOM 0 HZ2 LYS A 118 53.607 -58.076 -71.763 1.00 45.32 H new ATOM 0 HZ3 LYS A 118 52.812 -59.182 -72.776 1.00 45.32 H new ATOM 1781 N THR A 119 56.418 -54.563 -74.674 1.00 62.02 N ATOM 1782 CA THR A 119 57.558 -55.175 -75.344 1.00 62.55 C ATOM 1783 C THR A 119 57.156 -56.471 -76.040 1.00 22.12 C ATOM 1784 O THR A 119 56.138 -57.086 -75.720 1.00 43.51 O ATOM 1785 CB THR A 119 58.700 -55.471 -74.354 1.00 2.21 C ATOM 1786 OG1 THR A 119 58.204 -55.440 -73.011 1.00 1.31 O ATOM 1787 CG2 THR A 119 59.825 -54.459 -74.508 1.00 4.32 C ATOM 0 H THR A 119 56.511 -54.495 -73.661 1.00 62.02 H new ATOM 0 HA THR A 119 57.908 -54.459 -76.088 1.00 62.55 H new ATOM 0 HB THR A 119 59.093 -56.464 -74.573 1.00 2.21 H new ATOM 0 HG1 THR A 119 58.936 -55.631 -72.388 1.00 1.31 H new ATOM 0 HG21 THR A 119 60.620 -54.688 -73.799 1.00 4.32 H new ATOM 0 HG22 THR A 119 60.220 -54.505 -75.523 1.00 4.32 H new ATOM 0 HG23 THR A 119 59.442 -53.457 -74.313 1.00 4.32 H new