USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 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 53 ASN : amide:sc= -6.04! C(o=-11!,f=-10!) USER MOD Set 1.2: A 76 HIS : no HE2:sc= -4.5 K(o=-11,f=-17!) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= -0.393 USER MOD Set 2.2: A 83 SER OG : rot -160:sc= -0.605 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -100:sc= 0.487 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc=-0.00714 (180deg=-0.153) USER MOD Single : A 45 SER OG : rot 78:sc= 1.24 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 98:sc= 1.24 USER MOD Single : A 56 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.7) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.168) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= -1.55! (180deg=-1.83!) USER MOD Single : A 95 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.7!) 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 39:sc= 0.116 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -164:sc= 0 (180deg=-0.395) USER MOD Single : A 116 THR OG1 : rot -142:sc= -0.622 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -113:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 38.486 -36.498 -75.275 1.00 71.22 N ATOM 472 CA ALA A 33 37.124 -36.738 -75.736 1.00 11.50 C ATOM 473 C ALA A 33 36.146 -36.766 -74.566 1.00 53.25 C ATOM 474 O ALA A 33 36.521 -36.503 -73.425 1.00 34.35 O ATOM 475 CB ALA A 33 37.053 -38.041 -76.518 1.00 13.12 C ATOM 0 HA ALA A 33 36.839 -35.917 -76.394 1.00 11.50 H new ATOM 0 HB1 ALA A 33 36.030 -38.207 -76.856 1.00 13.12 H new ATOM 0 HB2 ALA A 33 37.716 -37.984 -77.382 1.00 13.12 H new ATOM 0 HB3 ALA A 33 37.362 -38.867 -75.878 1.00 13.12 H new ATOM 481 N GLY A 34 34.889 -37.086 -74.860 1.00 12.44 N ATOM 482 CA GLY A 34 33.876 -37.141 -73.822 1.00 21.14 C ATOM 483 C GLY A 34 34.201 -38.161 -72.749 1.00 31.52 C ATOM 484 O GLY A 34 33.961 -37.925 -71.565 1.00 64.11 O ATOM 0 H GLY A 34 34.555 -37.308 -75.798 1.00 12.44 H new ATOM 0 HA2 GLY A 34 33.775 -36.157 -73.365 1.00 21.14 H new ATOM 0 HA3 GLY A 34 32.913 -37.384 -74.271 1.00 21.14 H new ATOM 488 N ALA A 35 34.747 -39.300 -73.163 1.00 75.22 N ATOM 489 CA ALA A 35 35.105 -40.360 -72.229 1.00 33.12 C ATOM 490 C ALA A 35 36.138 -39.875 -71.218 1.00 0.31 C ATOM 491 O ALA A 35 36.237 -40.409 -70.113 1.00 0.53 O ATOM 492 CB ALA A 35 35.630 -41.573 -72.983 1.00 2.24 C ATOM 0 H ALA A 35 34.951 -39.512 -74.140 1.00 75.22 H new ATOM 0 HA ALA A 35 34.207 -40.647 -71.682 1.00 33.12 H new ATOM 0 HB1 ALA A 35 35.894 -42.357 -72.273 1.00 2.24 H new ATOM 0 HB2 ALA A 35 34.860 -41.941 -73.661 1.00 2.24 H new ATOM 0 HB3 ALA A 35 36.513 -41.291 -73.556 1.00 2.24 H new ATOM 498 N ILE A 36 36.905 -38.861 -71.604 1.00 5.03 N ATOM 499 CA ILE A 36 37.931 -38.304 -70.730 1.00 72.20 C ATOM 500 C ILE A 36 37.362 -37.978 -69.353 1.00 62.03 C ATOM 501 O ILE A 36 38.068 -38.043 -68.346 1.00 53.33 O ATOM 502 CB ILE A 36 38.552 -37.030 -71.332 1.00 13.43 C ATOM 503 CG1 ILE A 36 39.995 -36.863 -70.851 1.00 14.12 C ATOM 504 CG2 ILE A 36 37.720 -35.810 -70.962 1.00 62.23 C ATOM 505 CD1 ILE A 36 41.025 -37.156 -71.919 1.00 1.51 C ATOM 0 H ILE A 36 36.836 -38.408 -72.515 1.00 5.03 H new ATOM 0 HA ILE A 36 38.707 -39.063 -70.629 1.00 72.20 H new ATOM 0 HB ILE A 36 38.560 -37.125 -72.418 1.00 13.43 H new ATOM 0 HG12 ILE A 36 40.134 -35.843 -70.493 1.00 14.12 H new ATOM 0 HG13 ILE A 36 40.165 -37.525 -70.002 1.00 14.12 H new ATOM 0 HG21 ILE A 36 38.171 -34.917 -71.395 1.00 62.23 H new ATOM 0 HG22 ILE A 36 36.708 -35.929 -71.349 1.00 62.23 H new ATOM 0 HG23 ILE A 36 37.684 -35.709 -69.877 1.00 62.23 H new ATOM 0 HD11 ILE A 36 42.025 -37.018 -71.508 1.00 1.51 H new ATOM 0 HD12 ILE A 36 40.912 -38.185 -72.261 1.00 1.51 H new ATOM 0 HD13 ILE A 36 40.881 -36.477 -72.759 1.00 1.51 H new ATOM 517 N LYS A 37 36.081 -37.629 -69.316 1.00 53.31 N ATOM 518 CA LYS A 37 35.414 -37.295 -68.063 1.00 61.10 C ATOM 519 C LYS A 37 35.398 -38.493 -67.119 1.00 63.44 C ATOM 520 O LYS A 37 35.615 -38.351 -65.916 1.00 50.21 O ATOM 521 CB LYS A 37 33.983 -36.826 -68.332 1.00 53.42 C ATOM 522 CG LYS A 37 33.774 -35.341 -68.089 1.00 53.12 C ATOM 523 CD LYS A 37 33.240 -35.074 -66.692 1.00 33.32 C ATOM 524 CE LYS A 37 34.078 -34.035 -65.964 1.00 25.35 C ATOM 525 NZ LYS A 37 33.497 -32.670 -66.084 1.00 44.54 N ATOM 0 H LYS A 37 35.483 -37.570 -70.140 1.00 53.31 H new ATOM 0 HA LYS A 37 35.971 -36.487 -67.588 1.00 61.10 H new ATOM 0 HB2 LYS A 37 33.722 -37.057 -69.365 1.00 53.42 H new ATOM 0 HB3 LYS A 37 33.299 -37.389 -67.697 1.00 53.42 H new ATOM 0 HG2 LYS A 37 34.718 -34.813 -68.226 1.00 53.12 H new ATOM 0 HG3 LYS A 37 33.077 -34.945 -68.828 1.00 53.12 H new ATOM 0 HD2 LYS A 37 32.207 -34.731 -66.756 1.00 33.32 H new ATOM 0 HD3 LYS A 37 33.233 -36.002 -66.121 1.00 33.32 H new ATOM 0 HE2 LYS A 37 34.156 -34.305 -64.911 1.00 25.35 H new ATOM 0 HE3 LYS A 37 35.090 -34.036 -66.369 1.00 25.35 H new ATOM 0 HZ1 LYS A 37 34.098 -31.991 -65.574 1.00 44.54 H new ATOM 0 HZ2 LYS A 37 33.446 -32.402 -67.087 1.00 44.54 H new ATOM 0 HZ3 LYS A 37 32.541 -32.662 -65.674 1.00 44.54 H new ATOM 539 N SER A 38 35.142 -39.674 -67.674 1.00 32.14 N ATOM 540 CA SER A 38 35.096 -40.897 -66.881 1.00 13.14 C ATOM 541 C SER A 38 36.467 -41.215 -66.292 1.00 50.13 C ATOM 542 O SER A 38 36.588 -41.551 -65.114 1.00 12.10 O ATOM 543 CB SER A 38 34.612 -42.068 -67.738 1.00 10.00 C ATOM 544 OG SER A 38 33.197 -42.102 -67.803 1.00 32.44 O ATOM 0 H SER A 38 34.963 -39.809 -68.669 1.00 32.14 H new ATOM 0 HA SER A 38 34.395 -40.742 -66.061 1.00 13.14 H new ATOM 0 HB2 SER A 38 35.023 -41.981 -68.744 1.00 10.00 H new ATOM 0 HB3 SER A 38 34.983 -43.005 -67.322 1.00 10.00 H new ATOM 0 HG SER A 38 32.856 -42.768 -67.170 1.00 32.44 H new ATOM 550 N LYS A 39 37.499 -41.106 -67.122 1.00 22.41 N ATOM 551 CA LYS A 39 38.863 -41.381 -66.686 1.00 45.54 C ATOM 552 C LYS A 39 39.293 -40.404 -65.596 1.00 30.52 C ATOM 553 O LYS A 39 40.058 -40.758 -64.698 1.00 60.14 O ATOM 554 CB LYS A 39 39.827 -41.293 -67.872 1.00 54.44 C ATOM 555 CG LYS A 39 40.630 -40.004 -67.909 1.00 63.31 C ATOM 556 CD LYS A 39 41.403 -39.866 -69.210 1.00 51.12 C ATOM 557 CE LYS A 39 42.476 -38.793 -69.109 1.00 64.05 C ATOM 558 NZ LYS A 39 43.466 -38.892 -70.218 1.00 73.52 N ATOM 0 H LYS A 39 37.417 -40.829 -68.100 1.00 22.41 H new ATOM 0 HA LYS A 39 38.890 -42.391 -66.277 1.00 45.54 H new ATOM 0 HB2 LYS A 39 40.514 -42.138 -67.834 1.00 54.44 H new ATOM 0 HB3 LYS A 39 39.260 -41.384 -68.798 1.00 54.44 H new ATOM 0 HG2 LYS A 39 39.959 -39.153 -67.791 1.00 63.31 H new ATOM 0 HG3 LYS A 39 41.324 -39.982 -67.068 1.00 63.31 H new ATOM 0 HD2 LYS A 39 41.864 -40.821 -69.464 1.00 51.12 H new ATOM 0 HD3 LYS A 39 40.715 -39.619 -70.019 1.00 51.12 H new ATOM 0 HE2 LYS A 39 42.008 -37.809 -69.127 1.00 64.05 H new ATOM 0 HE3 LYS A 39 42.991 -38.884 -68.153 1.00 64.05 H new ATOM 0 HZ1 LYS A 39 44.089 -38.059 -70.203 1.00 73.52 H new ATOM 0 HZ2 LYS A 39 44.037 -39.753 -70.098 1.00 73.52 H new ATOM 0 HZ3 LYS A 39 42.965 -38.933 -71.128 1.00 73.52 H new ATOM 572 N VAL A 40 38.795 -39.175 -65.678 1.00 54.15 N ATOM 573 CA VAL A 40 39.125 -38.149 -64.697 1.00 11.50 C ATOM 574 C VAL A 40 38.645 -38.545 -63.305 1.00 42.41 C ATOM 575 O VAL A 40 39.338 -38.323 -62.313 1.00 44.30 O ATOM 576 CB VAL A 40 38.504 -36.790 -65.075 1.00 23.43 C ATOM 577 CG1 VAL A 40 38.648 -35.800 -63.929 1.00 32.42 C ATOM 578 CG2 VAL A 40 39.145 -36.247 -66.343 1.00 14.20 C ATOM 0 H VAL A 40 38.161 -38.865 -66.415 1.00 54.15 H new ATOM 0 HA VAL A 40 40.211 -38.055 -64.691 1.00 11.50 H new ATOM 0 HB VAL A 40 37.441 -36.936 -65.266 1.00 23.43 H new ATOM 0 HG11 VAL A 40 38.204 -34.846 -64.214 1.00 32.42 H new ATOM 0 HG12 VAL A 40 38.139 -36.188 -63.047 1.00 32.42 H new ATOM 0 HG13 VAL A 40 39.705 -35.655 -63.704 1.00 32.42 H new ATOM 0 HG21 VAL A 40 38.695 -35.287 -66.596 1.00 14.20 H new ATOM 0 HG22 VAL A 40 40.215 -36.115 -66.182 1.00 14.20 H new ATOM 0 HG23 VAL A 40 38.985 -36.949 -67.161 1.00 14.20 H new ATOM 588 N GLU A 41 37.455 -39.133 -63.240 1.00 54.44 N ATOM 589 CA GLU A 41 36.882 -39.559 -61.969 1.00 23.40 C ATOM 590 C GLU A 41 37.795 -40.564 -61.272 1.00 32.34 C ATOM 591 O GLU A 41 37.929 -40.552 -60.048 1.00 62.05 O ATOM 592 CB GLU A 41 35.499 -40.176 -62.188 1.00 64.33 C ATOM 593 CG GLU A 41 34.559 -39.293 -62.991 1.00 63.04 C ATOM 594 CD GLU A 41 34.646 -37.833 -62.590 1.00 75.24 C ATOM 595 OE1 GLU A 41 34.139 -37.487 -61.503 1.00 11.53 O ATOM 596 OE2 GLU A 41 35.219 -37.038 -63.364 1.00 12.24 O ATOM 0 H GLU A 41 36.869 -39.325 -64.052 1.00 54.44 H new ATOM 0 HA GLU A 41 36.782 -38.680 -61.332 1.00 23.40 H new ATOM 0 HB2 GLU A 41 35.614 -41.131 -62.701 1.00 64.33 H new ATOM 0 HB3 GLU A 41 35.047 -40.387 -61.219 1.00 64.33 H new ATOM 0 HG2 GLU A 41 34.793 -39.389 -64.051 1.00 63.04 H new ATOM 0 HG3 GLU A 41 33.535 -39.642 -62.857 1.00 63.04 H new ATOM 603 N ALA A 42 38.419 -41.434 -62.059 1.00 50.24 N ATOM 604 CA ALA A 42 39.320 -42.445 -61.519 1.00 55.40 C ATOM 605 C ALA A 42 40.680 -41.844 -61.182 1.00 11.25 C ATOM 606 O ALA A 42 41.446 -42.415 -60.406 1.00 50.02 O ATOM 607 CB ALA A 42 39.477 -43.592 -62.505 1.00 63.43 C ATOM 0 H ALA A 42 38.317 -41.459 -63.074 1.00 50.24 H new ATOM 0 HA ALA A 42 38.884 -42.830 -60.597 1.00 55.40 H new ATOM 0 HB1 ALA A 42 40.152 -44.340 -62.089 1.00 63.43 H new ATOM 0 HB2 ALA A 42 38.504 -44.046 -62.693 1.00 63.43 H new ATOM 0 HB3 ALA A 42 39.887 -43.213 -63.441 1.00 63.43 H new ATOM 613 N ALA A 43 40.974 -40.689 -61.769 1.00 53.35 N ATOM 614 CA ALA A 43 42.241 -40.010 -61.530 1.00 24.33 C ATOM 615 C ALA A 43 42.422 -39.691 -60.050 1.00 32.15 C ATOM 616 O ALA A 43 43.547 -39.590 -59.558 1.00 71.52 O ATOM 617 CB ALA A 43 42.324 -38.738 -62.360 1.00 3.00 C ATOM 0 H ALA A 43 40.351 -40.203 -62.414 1.00 53.35 H new ATOM 0 HA ALA A 43 43.046 -40.680 -61.832 1.00 24.33 H new ATOM 0 HB1 ALA A 43 43.276 -38.242 -62.171 1.00 3.00 H new ATOM 0 HB2 ALA A 43 42.249 -38.989 -63.418 1.00 3.00 H new ATOM 0 HB3 ALA A 43 41.506 -38.071 -62.086 1.00 3.00 H new ATOM 623 N LEU A 44 41.308 -39.532 -59.343 1.00 51.15 N ATOM 624 CA LEU A 44 41.343 -39.223 -57.918 1.00 60.02 C ATOM 625 C LEU A 44 42.060 -40.322 -57.140 1.00 42.14 C ATOM 626 O LEU A 44 42.525 -40.102 -56.022 1.00 62.31 O ATOM 627 CB LEU A 44 39.922 -39.045 -57.380 1.00 24.34 C ATOM 628 CG LEU A 44 39.254 -37.703 -57.679 1.00 41.01 C ATOM 629 CD1 LEU A 44 40.100 -36.556 -57.149 1.00 13.43 C ATOM 630 CD2 LEU A 44 39.018 -37.547 -59.174 1.00 55.22 C ATOM 0 H LEU A 44 40.369 -39.612 -59.734 1.00 51.15 H new ATOM 0 HA LEU A 44 41.894 -38.292 -57.786 1.00 60.02 H new ATOM 0 HB2 LEU A 44 39.298 -39.838 -57.791 1.00 24.34 H new ATOM 0 HB3 LEU A 44 39.944 -39.184 -56.299 1.00 24.34 H new ATOM 0 HG LEU A 44 38.288 -37.679 -57.174 1.00 41.01 H new ATOM 0 HD11 LEU A 44 39.609 -35.609 -57.371 1.00 13.43 H new ATOM 0 HD12 LEU A 44 40.218 -36.659 -56.070 1.00 13.43 H new ATOM 0 HD13 LEU A 44 41.080 -36.577 -57.625 1.00 13.43 H new ATOM 0 HD21 LEU A 44 38.542 -36.586 -59.369 1.00 55.22 H new ATOM 0 HD22 LEU A 44 39.972 -37.592 -59.700 1.00 55.22 H new ATOM 0 HD23 LEU A 44 38.371 -38.351 -59.526 1.00 55.22 H new ATOM 642 N SER A 45 42.148 -41.504 -57.741 1.00 74.41 N ATOM 643 CA SER A 45 42.807 -42.638 -57.104 1.00 70.42 C ATOM 644 C SER A 45 44.249 -42.769 -57.585 1.00 51.33 C ATOM 645 O SER A 45 44.661 -42.150 -58.567 1.00 3.04 O ATOM 646 CB SER A 45 42.041 -43.930 -57.396 1.00 63.30 C ATOM 647 OG SER A 45 40.841 -43.664 -58.101 1.00 43.21 O ATOM 0 H SER A 45 41.771 -41.701 -58.668 1.00 74.41 H new ATOM 0 HA SER A 45 42.816 -42.464 -56.028 1.00 70.42 H new ATOM 0 HB2 SER A 45 42.668 -44.604 -57.980 1.00 63.30 H new ATOM 0 HB3 SER A 45 41.811 -44.439 -56.460 1.00 63.30 H new ATOM 0 HG SER A 45 41.046 -43.495 -59.044 1.00 43.21 H new ATOM 653 N PRO A 46 45.035 -43.594 -56.878 1.00 44.42 N ATOM 654 CA PRO A 46 46.443 -43.826 -57.214 1.00 4.14 C ATOM 655 C PRO A 46 46.608 -44.618 -58.506 1.00 63.01 C ATOM 656 O PRO A 46 47.720 -44.781 -59.010 1.00 23.03 O ATOM 657 CB PRO A 46 46.963 -44.633 -56.022 1.00 25.24 C ATOM 658 CG PRO A 46 45.757 -45.308 -55.466 1.00 63.41 C ATOM 659 CD PRO A 46 44.611 -44.363 -55.697 1.00 34.41 C ATOM 0 HA PRO A 46 46.981 -42.893 -57.382 1.00 4.14 H new ATOM 0 HB2 PRO A 46 47.715 -45.359 -56.333 1.00 25.24 H new ATOM 0 HB3 PRO A 46 47.432 -43.986 -55.280 1.00 25.24 H new ATOM 0 HG2 PRO A 46 45.581 -46.263 -55.961 1.00 63.41 H new ATOM 0 HG3 PRO A 46 45.882 -45.518 -54.404 1.00 63.41 H new ATOM 0 HD2 PRO A 46 43.679 -44.898 -55.880 1.00 34.41 H new ATOM 0 HD3 PRO A 46 44.444 -43.716 -54.836 1.00 34.41 H new ATOM 667 N THR A 47 45.494 -45.109 -59.040 1.00 62.22 N ATOM 668 CA THR A 47 45.516 -45.885 -60.274 1.00 15.12 C ATOM 669 C THR A 47 45.819 -44.998 -61.476 1.00 14.11 C ATOM 670 O THR A 47 45.938 -43.779 -61.347 1.00 34.04 O ATOM 671 CB THR A 47 44.174 -46.606 -60.507 1.00 45.12 C ATOM 672 OG1 THR A 47 44.227 -47.355 -61.726 1.00 71.23 O ATOM 673 CG2 THR A 47 43.027 -45.609 -60.568 1.00 3.41 C ATOM 0 H THR A 47 44.565 -44.983 -58.637 1.00 62.22 H new ATOM 0 HA THR A 47 46.306 -46.628 -60.167 1.00 15.12 H new ATOM 0 HB THR A 47 44.000 -47.284 -59.671 1.00 45.12 H new ATOM 0 HG1 THR A 47 43.371 -47.812 -61.867 1.00 71.23 H new ATOM 0 HG21 THR A 47 42.090 -46.142 -60.733 1.00 3.41 H new ATOM 0 HG22 THR A 47 42.972 -45.060 -59.628 1.00 3.41 H new ATOM 0 HG23 THR A 47 43.196 -44.910 -61.387 1.00 3.41 H new ATOM 681 N HIS A 48 45.942 -45.617 -62.646 1.00 11.40 N ATOM 682 CA HIS A 48 46.230 -44.882 -63.873 1.00 0.14 C ATOM 683 C HIS A 48 45.234 -45.245 -64.970 1.00 63.11 C ATOM 684 O HIS A 48 45.069 -46.417 -65.309 1.00 71.13 O ATOM 685 CB HIS A 48 47.655 -45.173 -64.344 1.00 20.31 C ATOM 686 CG HIS A 48 48.038 -44.432 -65.588 1.00 10.13 C ATOM 687 ND1 HIS A 48 47.863 -43.072 -65.738 1.00 35.44 N ATOM 688 CD2 HIS A 48 48.592 -44.868 -66.743 1.00 51.11 C ATOM 689 CE1 HIS A 48 48.290 -42.705 -66.932 1.00 43.41 C ATOM 690 NE2 HIS A 48 48.738 -43.776 -67.562 1.00 44.52 N ATOM 0 H HIS A 48 45.847 -46.625 -62.770 1.00 11.40 H new ATOM 0 HA HIS A 48 46.137 -43.817 -63.660 1.00 0.14 H new ATOM 0 HB2 HIS A 48 48.352 -44.914 -63.547 1.00 20.31 H new ATOM 0 HB3 HIS A 48 47.758 -46.243 -64.522 1.00 20.31 H new ATOM 0 HD2 HIS A 48 48.868 -45.886 -66.977 1.00 51.11 H new ATOM 0 HE1 HIS A 48 48.275 -41.700 -67.327 1.00 43.41 H new ATOM 0 HE2 HIS A 48 49.129 -43.789 -68.504 1.00 44.52 H new ATOM 698 N PHE A 49 44.573 -44.233 -65.521 1.00 51.30 N ATOM 699 CA PHE A 49 43.592 -44.446 -66.579 1.00 0.31 C ATOM 700 C PHE A 49 44.049 -43.798 -67.883 1.00 23.41 C ATOM 701 O PHE A 49 44.223 -42.582 -67.958 1.00 52.15 O ATOM 702 CB PHE A 49 42.232 -43.879 -66.164 1.00 64.25 C ATOM 703 CG PHE A 49 41.432 -44.812 -65.301 1.00 61.34 C ATOM 704 CD1 PHE A 49 41.981 -45.356 -64.151 1.00 64.05 C ATOM 705 CD2 PHE A 49 40.130 -45.145 -65.640 1.00 24.13 C ATOM 706 CE1 PHE A 49 41.247 -46.215 -63.356 1.00 64.51 C ATOM 707 CE2 PHE A 49 39.391 -46.004 -64.848 1.00 3.21 C ATOM 708 CZ PHE A 49 39.950 -46.539 -63.704 1.00 3.30 C ATOM 0 H PHE A 49 44.699 -43.257 -65.253 1.00 51.30 H new ATOM 0 HA PHE A 49 43.497 -45.520 -66.741 1.00 0.31 H new ATOM 0 HB2 PHE A 49 42.386 -42.943 -65.627 1.00 64.25 H new ATOM 0 HB3 PHE A 49 41.657 -43.642 -67.059 1.00 64.25 H new ATOM 0 HD1 PHE A 49 42.994 -45.106 -63.873 1.00 64.05 H new ATOM 0 HD2 PHE A 49 39.688 -44.729 -66.533 1.00 24.13 H new ATOM 0 HE1 PHE A 49 41.687 -46.633 -62.463 1.00 64.51 H new ATOM 0 HE2 PHE A 49 38.378 -46.256 -65.124 1.00 3.21 H new ATOM 0 HZ PHE A 49 39.374 -47.209 -63.083 1.00 3.30 H new ATOM 718 N LYS A 50 44.243 -44.621 -68.908 1.00 44.23 N ATOM 719 CA LYS A 50 44.680 -44.131 -70.210 1.00 72.15 C ATOM 720 C LYS A 50 43.526 -44.137 -71.209 1.00 24.44 C ATOM 721 O LYS A 50 42.973 -45.191 -71.527 1.00 42.20 O ATOM 722 CB LYS A 50 45.832 -44.988 -70.741 1.00 13.04 C ATOM 723 CG LYS A 50 46.133 -44.759 -72.212 1.00 31.23 C ATOM 724 CD LYS A 50 47.131 -45.775 -72.741 1.00 61.21 C ATOM 725 CE LYS A 50 48.277 -45.099 -73.478 1.00 50.10 C ATOM 726 NZ LYS A 50 49.031 -46.059 -74.331 1.00 3.23 N ATOM 0 H LYS A 50 44.104 -45.631 -68.862 1.00 44.23 H new ATOM 0 HA LYS A 50 45.026 -43.105 -70.086 1.00 72.15 H new ATOM 0 HB2 LYS A 50 46.729 -44.777 -70.158 1.00 13.04 H new ATOM 0 HB3 LYS A 50 45.592 -46.040 -70.587 1.00 13.04 H new ATOM 0 HG2 LYS A 50 45.209 -44.821 -72.787 1.00 31.23 H new ATOM 0 HG3 LYS A 50 46.528 -43.753 -72.351 1.00 31.23 H new ATOM 0 HD2 LYS A 50 47.526 -46.363 -71.913 1.00 61.21 H new ATOM 0 HD3 LYS A 50 46.625 -46.469 -73.412 1.00 61.21 H new ATOM 0 HE2 LYS A 50 47.885 -44.293 -74.098 1.00 50.10 H new ATOM 0 HE3 LYS A 50 48.955 -44.645 -72.756 1.00 50.10 H new ATOM 0 HZ1 LYS A 50 49.803 -45.560 -74.816 1.00 3.23 H new ATOM 0 HZ2 LYS A 50 49.427 -46.815 -73.736 1.00 3.23 H new ATOM 0 HZ3 LYS A 50 48.390 -46.474 -75.037 1.00 3.23 H new ATOM 740 N LEU A 51 43.169 -42.956 -71.700 1.00 62.11 N ATOM 741 CA LEU A 51 42.082 -42.826 -72.664 1.00 40.41 C ATOM 742 C LEU A 51 42.557 -42.115 -73.927 1.00 51.15 C ATOM 743 O LEU A 51 43.032 -40.980 -73.872 1.00 24.44 O ATOM 744 CB LEU A 51 40.913 -42.059 -72.043 1.00 73.41 C ATOM 745 CG LEU A 51 39.652 -41.948 -72.901 1.00 71.21 C ATOM 746 CD1 LEU A 51 38.477 -42.627 -72.214 1.00 1.30 C ATOM 747 CD2 LEU A 51 39.332 -40.489 -73.192 1.00 71.32 C ATOM 0 H LEU A 51 43.616 -42.075 -71.447 1.00 62.11 H new ATOM 0 HA LEU A 51 41.749 -43.827 -72.936 1.00 40.41 H new ATOM 0 HB2 LEU A 51 40.647 -42.541 -71.102 1.00 73.41 H new ATOM 0 HB3 LEU A 51 41.253 -41.052 -71.800 1.00 73.41 H new ATOM 0 HG LEU A 51 39.834 -42.455 -73.848 1.00 71.21 H new ATOM 0 HD11 LEU A 51 37.589 -42.538 -72.839 1.00 1.30 H new ATOM 0 HD12 LEU A 51 38.706 -43.681 -72.058 1.00 1.30 H new ATOM 0 HD13 LEU A 51 38.293 -42.149 -71.252 1.00 1.30 H new ATOM 0 HD21 LEU A 51 38.432 -40.429 -73.804 1.00 71.32 H new ATOM 0 HD22 LEU A 51 39.170 -39.958 -72.254 1.00 71.32 H new ATOM 0 HD23 LEU A 51 40.165 -40.033 -73.727 1.00 71.32 H new ATOM 759 N ILE A 52 42.423 -42.789 -75.065 1.00 13.51 N ATOM 760 CA ILE A 52 42.835 -42.220 -76.342 1.00 50.11 C ATOM 761 C ILE A 52 41.698 -42.265 -77.357 1.00 35.23 C ATOM 762 O ILE A 52 41.260 -43.340 -77.766 1.00 43.44 O ATOM 763 CB ILE A 52 44.054 -42.961 -76.921 1.00 63.41 C ATOM 764 CG1 ILE A 52 43.761 -44.459 -77.036 1.00 52.30 C ATOM 765 CG2 ILE A 52 45.281 -42.722 -76.054 1.00 0.42 C ATOM 766 CD1 ILE A 52 43.736 -44.962 -78.462 1.00 43.13 C ATOM 0 H ILE A 52 42.033 -43.729 -75.128 1.00 13.51 H new ATOM 0 HA ILE A 52 43.107 -41.182 -76.151 1.00 50.11 H new ATOM 0 HB ILE A 52 44.256 -42.571 -77.919 1.00 63.41 H new ATOM 0 HG12 ILE A 52 44.516 -45.012 -76.477 1.00 52.30 H new ATOM 0 HG13 ILE A 52 42.799 -44.670 -76.568 1.00 52.30 H new ATOM 0 HG21 ILE A 52 46.134 -43.253 -76.477 1.00 0.42 H new ATOM 0 HG22 ILE A 52 45.499 -41.655 -76.018 1.00 0.42 H new ATOM 0 HG23 ILE A 52 45.090 -43.087 -75.045 1.00 0.42 H new ATOM 0 HD11 ILE A 52 43.523 -46.031 -78.467 1.00 43.13 H new ATOM 0 HD12 ILE A 52 42.962 -44.435 -79.020 1.00 43.13 H new ATOM 0 HD13 ILE A 52 44.705 -44.783 -78.928 1.00 43.13 H new ATOM 778 N ASN A 53 41.224 -41.090 -77.759 1.00 70.44 N ATOM 779 CA ASN A 53 40.138 -40.996 -78.728 1.00 13.40 C ATOM 780 C ASN A 53 40.632 -40.402 -80.044 1.00 23.43 C ATOM 781 O ASN A 53 41.198 -39.309 -80.070 1.00 34.01 O ATOM 782 CB ASN A 53 38.999 -40.142 -78.167 1.00 1.44 C ATOM 783 CG ASN A 53 38.816 -38.846 -78.934 1.00 34.34 C ATOM 784 OD1 ASN A 53 39.310 -37.795 -78.526 1.00 21.10 O ATOM 785 ND2 ASN A 53 38.101 -38.917 -80.051 1.00 3.41 N ATOM 0 H ASN A 53 41.574 -40.191 -77.429 1.00 70.44 H new ATOM 0 HA ASN A 53 39.768 -42.003 -78.920 1.00 13.40 H new ATOM 0 HB2 ASN A 53 38.071 -40.713 -78.198 1.00 1.44 H new ATOM 0 HB3 ASN A 53 39.200 -39.916 -77.120 1.00 1.44 H new ATOM 0 HD21 ASN A 53 37.942 -38.078 -80.609 1.00 3.41 H new ATOM 0 HD22 ASN A 53 37.711 -39.810 -80.351 1.00 3.41 H new ATOM 792 N ASP A 54 40.415 -41.131 -81.133 1.00 51.42 N ATOM 793 CA ASP A 54 40.837 -40.676 -82.453 1.00 74.43 C ATOM 794 C ASP A 54 39.728 -39.879 -83.133 1.00 70.35 C ATOM 795 O ASP A 54 39.768 -38.650 -83.173 1.00 4.43 O ATOM 796 CB ASP A 54 41.232 -41.870 -83.324 1.00 40.45 C ATOM 797 CG ASP A 54 41.298 -41.515 -84.797 1.00 2.31 C ATOM 798 OD1 ASP A 54 41.916 -40.483 -85.131 1.00 4.53 O ATOM 799 OD2 ASP A 54 40.731 -42.269 -85.615 1.00 41.34 O ATOM 0 H ASP A 54 39.950 -42.039 -81.128 1.00 51.42 H new ATOM 0 HA ASP A 54 41.702 -40.025 -82.327 1.00 74.43 H new ATOM 0 HB2 ASP A 54 42.202 -42.247 -83.000 1.00 40.45 H new ATOM 0 HB3 ASP A 54 40.512 -42.676 -83.179 1.00 40.45 H new ATOM 804 N SER A 55 38.739 -40.588 -83.669 1.00 64.30 N ATOM 805 CA SER A 55 37.622 -39.947 -84.352 1.00 60.33 C ATOM 806 C SER A 55 38.089 -39.264 -85.634 1.00 73.53 C ATOM 807 O SER A 55 39.266 -39.324 -85.990 1.00 22.00 O ATOM 808 CB SER A 55 36.952 -38.925 -83.432 1.00 22.44 C ATOM 809 OG SER A 55 35.600 -38.716 -83.800 1.00 41.14 O ATOM 0 H SER A 55 38.689 -41.606 -83.643 1.00 64.30 H new ATOM 0 HA SER A 55 36.898 -40.719 -84.614 1.00 60.33 H new ATOM 0 HB2 SER A 55 37.002 -39.273 -82.400 1.00 22.44 H new ATOM 0 HB3 SER A 55 37.494 -37.981 -83.477 1.00 22.44 H new ATOM 0 HG SER A 55 35.018 -39.257 -83.227 1.00 41.14 H new ATOM 815 N HIS A 56 37.156 -38.616 -86.325 1.00 4.30 N ATOM 816 CA HIS A 56 37.471 -37.920 -87.568 1.00 21.31 C ATOM 817 C HIS A 56 37.410 -36.408 -87.375 1.00 22.11 C ATOM 818 O HIS A 56 36.653 -35.908 -86.543 1.00 4.45 O ATOM 819 CB HIS A 56 36.504 -38.344 -88.673 1.00 74.43 C ATOM 820 CG HIS A 56 35.127 -37.776 -88.515 1.00 31.33 C ATOM 821 ND1 HIS A 56 34.082 -38.481 -87.955 1.00 51.41 N ATOM 822 CD2 HIS A 56 34.627 -36.563 -88.845 1.00 14.32 C ATOM 823 CE1 HIS A 56 32.998 -37.726 -87.949 1.00 51.54 C ATOM 824 NE2 HIS A 56 33.302 -36.556 -88.483 1.00 72.45 N ATOM 0 H HIS A 56 36.177 -38.558 -86.046 1.00 4.30 H new ATOM 0 HA HIS A 56 38.486 -38.190 -87.860 1.00 21.31 H new ATOM 0 HB2 HIS A 56 36.908 -38.033 -89.637 1.00 74.43 H new ATOM 0 HB3 HIS A 56 36.439 -39.432 -88.690 1.00 74.43 H new ATOM 0 HD2 HIS A 56 35.169 -35.751 -89.307 1.00 14.32 H new ATOM 0 HE1 HIS A 56 32.028 -38.016 -87.572 1.00 51.54 H new ATOM 0 HE2 HIS A 56 32.658 -35.775 -88.606 1.00 72.45 H new ATOM 1069 N THR A 75 38.855 -49.277 -85.186 1.00 60.52 N ATOM 1070 CA THR A 75 38.494 -48.654 -83.919 1.00 63.02 C ATOM 1071 C THR A 75 38.927 -47.193 -83.883 1.00 14.32 C ATOM 1072 O THR A 75 39.314 -46.624 -84.904 1.00 4.22 O ATOM 1073 CB THR A 75 39.129 -49.395 -82.728 1.00 21.35 C ATOM 1074 OG1 THR A 75 40.504 -49.019 -82.593 1.00 1.13 O ATOM 1075 CG2 THR A 75 39.026 -50.902 -82.910 1.00 41.03 C ATOM 0 HA THR A 75 37.409 -48.711 -83.836 1.00 63.02 H new ATOM 0 HB THR A 75 38.586 -49.116 -81.825 1.00 21.35 H new ATOM 0 HG1 THR A 75 40.900 -49.494 -81.832 1.00 1.13 H new ATOM 0 HG21 THR A 75 39.481 -51.404 -82.056 1.00 41.03 H new ATOM 0 HG22 THR A 75 37.977 -51.189 -82.982 1.00 41.03 H new ATOM 0 HG23 THR A 75 39.546 -51.195 -83.822 1.00 41.03 H new ATOM 1083 N HIS A 76 38.858 -46.589 -82.700 1.00 62.42 N ATOM 1084 CA HIS A 76 39.244 -45.193 -82.531 1.00 23.11 C ATOM 1085 C HIS A 76 39.326 -44.827 -81.052 1.00 32.52 C ATOM 1086 O HIS A 76 40.148 -44.003 -80.650 1.00 35.41 O ATOM 1087 CB HIS A 76 38.247 -44.277 -83.241 1.00 3.44 C ATOM 1088 CG HIS A 76 37.274 -43.618 -82.312 1.00 53.15 C ATOM 1089 ND1 HIS A 76 37.505 -42.392 -81.725 1.00 63.01 N ATOM 1090 CD2 HIS A 76 36.059 -44.021 -81.873 1.00 14.44 C ATOM 1091 CE1 HIS A 76 36.476 -42.070 -80.963 1.00 34.14 C ATOM 1092 NE2 HIS A 76 35.584 -43.042 -81.035 1.00 53.50 N ATOM 0 H HIS A 76 38.538 -47.045 -81.845 1.00 62.42 H new ATOM 0 HA HIS A 76 40.230 -45.058 -82.975 1.00 23.11 H new ATOM 0 HB2 HIS A 76 38.796 -43.508 -83.785 1.00 3.44 H new ATOM 0 HB3 HIS A 76 37.695 -44.858 -83.980 1.00 3.44 H new ATOM 0 HD1 HIS A 76 38.341 -41.823 -81.859 1.00 63.01 H new ATOM 0 HD2 HIS A 76 35.557 -44.941 -82.133 1.00 14.44 H new ATOM 0 HE1 HIS A 76 36.380 -41.166 -80.380 1.00 34.14 H new ATOM 1100 N PHE A 77 38.468 -45.445 -80.247 1.00 31.05 N ATOM 1101 CA PHE A 77 38.442 -45.183 -78.812 1.00 73.32 C ATOM 1102 C PHE A 77 38.991 -46.374 -78.032 1.00 34.11 C ATOM 1103 O PHE A 77 38.632 -47.522 -78.296 1.00 53.31 O ATOM 1104 CB PHE A 77 37.015 -44.873 -78.355 1.00 32.52 C ATOM 1105 CG PHE A 77 36.904 -43.611 -77.549 1.00 44.20 C ATOM 1106 CD1 PHE A 77 37.911 -43.244 -76.671 1.00 1.34 C ATOM 1107 CD2 PHE A 77 35.794 -42.791 -77.670 1.00 43.33 C ATOM 1108 CE1 PHE A 77 37.812 -42.083 -75.927 1.00 55.34 C ATOM 1109 CE2 PHE A 77 35.689 -41.628 -76.930 1.00 23.10 C ATOM 1110 CZ PHE A 77 36.700 -41.273 -76.058 1.00 70.31 C ATOM 0 H PHE A 77 37.782 -46.130 -80.563 1.00 31.05 H new ATOM 0 HA PHE A 77 39.075 -44.318 -78.614 1.00 73.32 H new ATOM 0 HB2 PHE A 77 36.371 -44.793 -79.231 1.00 32.52 H new ATOM 0 HB3 PHE A 77 36.643 -45.708 -77.761 1.00 32.52 H new ATOM 0 HD1 PHE A 77 38.783 -43.872 -76.567 1.00 1.34 H new ATOM 0 HD2 PHE A 77 35.001 -43.064 -78.351 1.00 43.33 H new ATOM 0 HE1 PHE A 77 38.603 -41.809 -75.244 1.00 55.34 H new ATOM 0 HE2 PHE A 77 34.818 -40.998 -77.033 1.00 23.10 H new ATOM 0 HZ PHE A 77 36.621 -40.364 -75.480 1.00 70.31 H new ATOM 1120 N ARG A 78 39.863 -46.092 -77.070 1.00 64.01 N ATOM 1121 CA ARG A 78 40.464 -47.139 -76.252 1.00 51.02 C ATOM 1122 C ARG A 78 40.764 -46.626 -74.847 1.00 1.01 C ATOM 1123 O ARG A 78 41.532 -45.679 -74.671 1.00 13.12 O ATOM 1124 CB ARG A 78 41.749 -47.652 -76.905 1.00 10.41 C ATOM 1125 CG ARG A 78 42.898 -47.833 -75.927 1.00 22.31 C ATOM 1126 CD ARG A 78 44.061 -48.576 -76.566 1.00 3.31 C ATOM 1127 NE ARG A 78 43.996 -50.013 -76.317 1.00 22.32 N ATOM 1128 CZ ARG A 78 44.996 -50.850 -76.574 1.00 14.31 C ATOM 1129 NH1 ARG A 78 46.131 -50.394 -77.084 1.00 62.14 N ATOM 1130 NH2 ARG A 78 44.860 -52.145 -76.320 1.00 23.04 N ATOM 0 H ARG A 78 40.169 -45.147 -76.838 1.00 64.01 H new ATOM 0 HA ARG A 78 39.751 -47.960 -76.176 1.00 51.02 H new ATOM 0 HB2 ARG A 78 41.544 -48.605 -77.392 1.00 10.41 H new ATOM 0 HB3 ARG A 78 42.054 -46.955 -77.685 1.00 10.41 H new ATOM 0 HG2 ARG A 78 43.236 -46.858 -75.577 1.00 22.31 H new ATOM 0 HG3 ARG A 78 42.550 -48.383 -75.053 1.00 22.31 H new ATOM 0 HD2 ARG A 78 44.061 -48.394 -77.641 1.00 3.31 H new ATOM 0 HD3 ARG A 78 45.000 -48.183 -76.177 1.00 3.31 H new ATOM 0 HE ARG A 78 43.136 -50.396 -75.924 1.00 22.32 H new ATOM 0 HH11 ARG A 78 46.239 -49.399 -77.280 1.00 62.14 H new ATOM 0 HH12 ARG A 78 46.897 -51.038 -77.280 1.00 62.14 H new ATOM 0 HH21 ARG A 78 43.988 -52.499 -75.927 1.00 23.04 H new ATOM 0 HH22 ARG A 78 45.628 -52.787 -76.517 1.00 23.04 H new ATOM 1144 N LEU A 79 40.154 -47.257 -73.850 1.00 12.33 N ATOM 1145 CA LEU A 79 40.355 -46.864 -72.459 1.00 70.31 C ATOM 1146 C LEU A 79 40.931 -48.019 -71.645 1.00 45.55 C ATOM 1147 O LEU A 79 40.299 -49.064 -71.501 1.00 24.32 O ATOM 1148 CB LEU A 79 39.034 -46.401 -71.843 1.00 73.01 C ATOM 1149 CG LEU A 79 39.113 -45.856 -70.417 1.00 33.24 C ATOM 1150 CD1 LEU A 79 39.110 -46.995 -69.409 1.00 64.41 C ATOM 1151 CD2 LEU A 79 40.353 -44.992 -70.244 1.00 10.51 C ATOM 0 H LEU A 79 39.516 -48.043 -73.978 1.00 12.33 H new ATOM 0 HA LEU A 79 41.067 -46.039 -72.440 1.00 70.31 H new ATOM 0 HB2 LEU A 79 38.609 -45.628 -72.483 1.00 73.01 H new ATOM 0 HB3 LEU A 79 38.338 -47.240 -71.852 1.00 73.01 H new ATOM 0 HG LEU A 79 38.235 -45.236 -70.237 1.00 33.24 H new ATOM 0 HD11 LEU A 79 39.167 -46.588 -68.400 1.00 64.41 H new ATOM 0 HD12 LEU A 79 38.192 -47.573 -69.516 1.00 64.41 H new ATOM 0 HD13 LEU A 79 39.969 -47.642 -69.588 1.00 64.41 H new ATOM 0 HD21 LEU A 79 40.393 -44.613 -69.223 1.00 10.51 H new ATOM 0 HD22 LEU A 79 41.243 -45.589 -70.444 1.00 10.51 H new ATOM 0 HD23 LEU A 79 40.313 -44.155 -70.941 1.00 10.51 H new ATOM 1163 N GLU A 80 42.134 -47.819 -71.115 1.00 61.41 N ATOM 1164 CA GLU A 80 42.794 -48.844 -70.315 1.00 4.13 C ATOM 1165 C GLU A 80 43.149 -48.308 -68.930 1.00 74.43 C ATOM 1166 O GLU A 80 43.756 -47.246 -68.800 1.00 44.22 O ATOM 1167 CB GLU A 80 44.058 -49.338 -71.021 1.00 64.40 C ATOM 1168 CG GLU A 80 44.994 -50.122 -70.116 1.00 62.22 C ATOM 1169 CD GLU A 80 45.958 -49.229 -69.360 1.00 22.13 C ATOM 1170 OE1 GLU A 80 46.931 -48.748 -69.977 1.00 61.01 O ATOM 1171 OE2 GLU A 80 45.739 -49.011 -68.150 1.00 32.13 O ATOM 0 H GLU A 80 42.670 -46.958 -71.225 1.00 61.41 H new ATOM 0 HA GLU A 80 42.102 -49.678 -70.197 1.00 4.13 H new ATOM 0 HB2 GLU A 80 43.771 -49.966 -71.864 1.00 64.40 H new ATOM 0 HB3 GLU A 80 44.594 -48.481 -71.429 1.00 64.40 H new ATOM 0 HG2 GLU A 80 44.405 -50.700 -69.404 1.00 62.22 H new ATOM 0 HG3 GLU A 80 45.559 -50.836 -70.715 1.00 62.22 H new ATOM 1178 N VAL A 81 42.763 -49.052 -67.898 1.00 63.22 N ATOM 1179 CA VAL A 81 43.040 -48.654 -66.523 1.00 51.32 C ATOM 1180 C VAL A 81 43.972 -49.648 -65.840 1.00 11.02 C ATOM 1181 O VAL A 81 43.714 -50.852 -65.830 1.00 25.24 O ATOM 1182 CB VAL A 81 41.743 -48.535 -65.702 1.00 15.35 C ATOM 1183 CG1 VAL A 81 40.579 -49.171 -66.446 1.00 33.33 C ATOM 1184 CG2 VAL A 81 41.921 -49.169 -64.331 1.00 34.54 C ATOM 0 H VAL A 81 42.258 -49.933 -67.988 1.00 63.22 H new ATOM 0 HA VAL A 81 43.524 -47.679 -66.567 1.00 51.32 H new ATOM 0 HB VAL A 81 41.518 -47.478 -65.562 1.00 15.35 H new ATOM 0 HG11 VAL A 81 39.671 -49.077 -65.850 1.00 33.33 H new ATOM 0 HG12 VAL A 81 40.439 -48.667 -67.402 1.00 33.33 H new ATOM 0 HG13 VAL A 81 40.791 -50.226 -66.620 1.00 33.33 H new ATOM 0 HG21 VAL A 81 40.995 -49.076 -63.764 1.00 34.54 H new ATOM 0 HG22 VAL A 81 42.171 -50.224 -64.447 1.00 34.54 H new ATOM 0 HG23 VAL A 81 42.725 -48.662 -63.798 1.00 34.54 H new ATOM 1194 N THR A 82 45.058 -49.136 -65.268 1.00 34.31 N ATOM 1195 CA THR A 82 46.029 -49.979 -64.582 1.00 43.33 C ATOM 1196 C THR A 82 46.186 -49.563 -63.124 1.00 52.42 C ATOM 1197 O THR A 82 46.598 -48.441 -62.830 1.00 11.23 O ATOM 1198 CB THR A 82 47.406 -49.923 -65.271 1.00 1.12 C ATOM 1199 OG1 THR A 82 47.301 -50.403 -66.616 1.00 22.54 O ATOM 1200 CG2 THR A 82 48.427 -50.754 -64.508 1.00 53.00 C ATOM 0 H THR A 82 45.287 -48.142 -65.267 1.00 34.31 H new ATOM 0 HA THR A 82 45.649 -51.000 -64.626 1.00 43.33 H new ATOM 0 HB THR A 82 47.741 -48.886 -65.282 1.00 1.12 H new ATOM 0 HG1 THR A 82 46.827 -49.742 -67.163 1.00 22.54 H new ATOM 0 HG21 THR A 82 49.391 -50.699 -65.013 1.00 53.00 H new ATOM 0 HG22 THR A 82 48.526 -50.367 -63.494 1.00 53.00 H new ATOM 0 HG23 THR A 82 48.096 -51.792 -64.470 1.00 53.00 H new ATOM 1208 N SER A 83 45.855 -50.474 -62.215 1.00 11.12 N ATOM 1209 CA SER A 83 45.956 -50.200 -60.786 1.00 50.21 C ATOM 1210 C SER A 83 46.909 -51.181 -60.111 1.00 24.01 C ATOM 1211 O SER A 83 46.566 -52.342 -59.885 1.00 50.50 O ATOM 1212 CB SER A 83 44.576 -50.280 -60.131 1.00 53.41 C ATOM 1213 OG SER A 83 43.569 -50.538 -61.094 1.00 35.12 O ATOM 0 H SER A 83 45.515 -51.408 -62.442 1.00 11.12 H new ATOM 0 HA SER A 83 46.352 -49.192 -60.662 1.00 50.21 H new ATOM 0 HB2 SER A 83 44.573 -51.067 -59.377 1.00 53.41 H new ATOM 0 HB3 SER A 83 44.360 -49.344 -59.616 1.00 53.41 H new ATOM 0 HG SER A 83 42.696 -50.276 -60.733 1.00 35.12 H new ATOM 1219 N ASP A 84 48.108 -50.706 -59.791 1.00 61.14 N ATOM 1220 CA ASP A 84 49.112 -51.540 -59.141 1.00 3.11 C ATOM 1221 C ASP A 84 49.602 -52.636 -60.083 1.00 14.24 C ATOM 1222 O ASP A 84 50.350 -53.525 -59.680 1.00 23.44 O ATOM 1223 CB ASP A 84 48.541 -52.163 -57.866 1.00 72.14 C ATOM 1224 CG ASP A 84 47.728 -51.175 -57.053 1.00 22.01 C ATOM 1225 OD1 ASP A 84 48.075 -49.976 -57.058 1.00 41.44 O ATOM 1226 OD2 ASP A 84 46.746 -51.601 -56.410 1.00 31.31 O ATOM 0 H ASP A 84 48.408 -49.748 -59.971 1.00 61.14 H new ATOM 0 HA ASP A 84 49.959 -50.907 -58.878 1.00 3.11 H new ATOM 0 HB2 ASP A 84 47.914 -53.014 -58.130 1.00 72.14 H new ATOM 0 HB3 ASP A 84 49.358 -52.546 -57.255 1.00 72.14 H new ATOM 1231 N ALA A 85 49.172 -52.565 -61.338 1.00 62.13 N ATOM 1232 CA ALA A 85 49.567 -53.550 -62.337 1.00 61.33 C ATOM 1233 C ALA A 85 49.449 -54.968 -61.787 1.00 44.41 C ATOM 1234 O ALA A 85 50.426 -55.538 -61.300 1.00 73.32 O ATOM 1235 CB ALA A 85 50.988 -53.282 -62.810 1.00 41.12 C ATOM 0 H ALA A 85 48.550 -51.836 -61.687 1.00 62.13 H new ATOM 0 HA ALA A 85 48.890 -53.460 -63.187 1.00 61.33 H new ATOM 0 HB1 ALA A 85 51.270 -54.025 -63.556 1.00 41.12 H new ATOM 0 HB2 ALA A 85 51.043 -52.287 -63.251 1.00 41.12 H new ATOM 0 HB3 ALA A 85 51.671 -53.342 -61.963 1.00 41.12 H new ATOM 1241 N PHE A 86 48.248 -55.531 -61.867 1.00 43.50 N ATOM 1242 CA PHE A 86 48.003 -56.881 -61.375 1.00 72.22 C ATOM 1243 C PHE A 86 46.546 -57.281 -61.589 1.00 71.52 C ATOM 1244 O PHE A 86 45.710 -57.128 -60.698 1.00 41.43 O ATOM 1245 CB PHE A 86 48.357 -56.978 -59.890 1.00 22.31 C ATOM 1246 CG PHE A 86 49.254 -58.138 -59.562 1.00 50.22 C ATOM 1247 CD1 PHE A 86 48.735 -59.415 -59.425 1.00 14.03 C ATOM 1248 CD2 PHE A 86 50.616 -57.951 -59.392 1.00 42.32 C ATOM 1249 CE1 PHE A 86 49.557 -60.483 -59.122 1.00 65.43 C ATOM 1250 CE2 PHE A 86 51.444 -59.015 -59.090 1.00 62.52 C ATOM 1251 CZ PHE A 86 50.914 -60.284 -58.956 1.00 41.31 C ATOM 0 H PHE A 86 47.429 -55.073 -62.268 1.00 43.50 H new ATOM 0 HA PHE A 86 48.637 -57.566 -61.938 1.00 72.22 H new ATOM 0 HB2 PHE A 86 48.844 -56.053 -59.580 1.00 22.31 H new ATOM 0 HB3 PHE A 86 47.438 -57.064 -59.310 1.00 22.31 H new ATOM 0 HD1 PHE A 86 47.675 -59.577 -59.557 1.00 14.03 H new ATOM 0 HD2 PHE A 86 51.036 -56.961 -59.497 1.00 42.32 H new ATOM 0 HE1 PHE A 86 49.139 -61.473 -59.015 1.00 65.43 H new ATOM 0 HE2 PHE A 86 52.504 -58.855 -58.959 1.00 62.52 H new ATOM 0 HZ PHE A 86 51.559 -61.118 -58.722 1.00 41.31 H new ATOM 1261 N LYS A 87 46.248 -57.796 -62.778 1.00 4.33 N ATOM 1262 CA LYS A 87 44.894 -58.220 -63.111 1.00 53.52 C ATOM 1263 C LYS A 87 44.543 -59.526 -62.406 1.00 43.02 C ATOM 1264 O LYS A 87 45.375 -60.425 -62.296 1.00 23.54 O ATOM 1265 CB LYS A 87 44.749 -58.390 -64.625 1.00 53.31 C ATOM 1266 CG LYS A 87 43.477 -59.110 -65.037 1.00 75.20 C ATOM 1267 CD LYS A 87 42.238 -58.314 -64.662 1.00 2.25 C ATOM 1268 CE LYS A 87 41.001 -59.197 -64.614 1.00 32.04 C ATOM 1269 NZ LYS A 87 40.866 -60.030 -65.840 1.00 64.53 N ATOM 0 H LYS A 87 46.927 -57.930 -63.527 1.00 4.33 H new ATOM 0 HA LYS A 87 44.204 -57.448 -62.770 1.00 53.52 H new ATOM 0 HB2 LYS A 87 44.769 -57.407 -65.096 1.00 53.31 H new ATOM 0 HB3 LYS A 87 45.609 -58.943 -65.004 1.00 53.31 H new ATOM 0 HG2 LYS A 87 43.488 -59.282 -66.113 1.00 75.20 H new ATOM 0 HG3 LYS A 87 43.440 -60.088 -64.558 1.00 75.20 H new ATOM 0 HD2 LYS A 87 42.388 -57.843 -63.691 1.00 2.25 H new ATOM 0 HD3 LYS A 87 42.086 -57.513 -65.385 1.00 2.25 H new ATOM 0 HE2 LYS A 87 41.051 -59.845 -63.739 1.00 32.04 H new ATOM 0 HE3 LYS A 87 40.114 -58.574 -64.499 1.00 32.04 H new ATOM 0 HZ1 LYS A 87 39.903 -60.420 -65.891 1.00 64.53 H new ATOM 0 HZ2 LYS A 87 41.047 -59.444 -66.680 1.00 64.53 H new ATOM 0 HZ3 LYS A 87 41.554 -60.809 -65.808 1.00 64.53 H new ATOM 1283 N GLY A 88 43.305 -59.624 -61.932 1.00 10.23 N ATOM 1284 CA GLY A 88 42.866 -60.825 -61.245 1.00 4.51 C ATOM 1285 C GLY A 88 41.388 -60.794 -60.911 1.00 21.31 C ATOM 1286 O GLY A 88 40.721 -61.829 -60.920 1.00 75.41 O ATOM 0 H GLY A 88 42.598 -58.893 -62.011 1.00 10.23 H new ATOM 0 HA2 GLY A 88 43.076 -61.694 -61.868 1.00 4.51 H new ATOM 0 HA3 GLY A 88 43.441 -60.945 -60.327 1.00 4.51 H new ATOM 1290 N LEU A 89 40.875 -59.606 -60.613 1.00 52.24 N ATOM 1291 CA LEU A 89 39.465 -59.445 -60.273 1.00 4.40 C ATOM 1292 C LEU A 89 38.661 -58.986 -61.485 1.00 63.54 C ATOM 1293 O LEU A 89 39.217 -58.466 -62.453 1.00 5.41 O ATOM 1294 CB LEU A 89 39.308 -58.438 -59.132 1.00 51.22 C ATOM 1295 CG LEU A 89 40.222 -57.213 -59.187 1.00 22.33 C ATOM 1296 CD1 LEU A 89 39.989 -56.429 -60.469 1.00 32.52 C ATOM 1297 CD2 LEU A 89 40.000 -56.327 -57.970 1.00 32.13 C ATOM 0 H LEU A 89 41.414 -58.740 -60.600 1.00 52.24 H new ATOM 0 HA LEU A 89 39.081 -60.413 -59.951 1.00 4.40 H new ATOM 0 HB2 LEU A 89 38.274 -58.094 -59.117 1.00 51.22 H new ATOM 0 HB3 LEU A 89 39.485 -58.956 -58.190 1.00 51.22 H new ATOM 0 HG LEU A 89 41.257 -57.556 -59.179 1.00 22.33 H new ATOM 0 HD11 LEU A 89 40.648 -55.561 -60.490 1.00 32.52 H new ATOM 0 HD12 LEU A 89 40.200 -57.066 -61.328 1.00 32.52 H new ATOM 0 HD13 LEU A 89 38.951 -56.097 -60.509 1.00 32.52 H new ATOM 0 HD21 LEU A 89 40.659 -55.460 -58.026 1.00 32.13 H new ATOM 0 HD22 LEU A 89 38.963 -55.993 -57.947 1.00 32.13 H new ATOM 0 HD23 LEU A 89 40.220 -56.892 -57.064 1.00 32.13 H new ATOM 1309 N THR A 90 37.348 -59.182 -61.426 1.00 55.02 N ATOM 1310 CA THR A 90 36.466 -58.788 -62.518 1.00 62.31 C ATOM 1311 C THR A 90 36.861 -57.427 -63.080 1.00 61.40 C ATOM 1312 O THR A 90 36.670 -56.397 -62.432 1.00 74.41 O ATOM 1313 CB THR A 90 34.996 -58.736 -62.062 1.00 52.22 C ATOM 1314 OG1 THR A 90 34.216 -57.995 -63.007 1.00 41.43 O ATOM 1315 CG2 THR A 90 34.878 -58.096 -60.687 1.00 41.22 C ATOM 0 H THR A 90 36.871 -59.612 -60.633 1.00 55.02 H new ATOM 0 HA THR A 90 36.570 -59.543 -63.297 1.00 62.31 H new ATOM 0 HB THR A 90 34.621 -59.758 -62.003 1.00 52.22 H new ATOM 0 HG1 THR A 90 33.282 -57.968 -62.711 1.00 41.43 H new ATOM 0 HG21 THR A 90 33.831 -58.070 -60.386 1.00 41.22 H new ATOM 0 HG22 THR A 90 35.449 -58.679 -59.964 1.00 41.22 H new ATOM 0 HG23 THR A 90 35.270 -57.080 -60.724 1.00 41.22 H new ATOM 1323 N LEU A 91 37.412 -57.429 -64.289 1.00 5.04 N ATOM 1324 CA LEU A 91 37.834 -56.193 -64.939 1.00 30.01 C ATOM 1325 C LEU A 91 36.628 -55.382 -65.400 1.00 54.43 C ATOM 1326 O LEU A 91 36.653 -54.151 -65.390 1.00 1.13 O ATOM 1327 CB LEU A 91 38.740 -56.504 -66.131 1.00 71.45 C ATOM 1328 CG LEU A 91 38.036 -56.974 -67.405 1.00 34.43 C ATOM 1329 CD1 LEU A 91 38.958 -56.837 -68.606 1.00 55.04 C ATOM 1330 CD2 LEU A 91 37.564 -58.413 -67.253 1.00 65.44 C ATOM 0 H LEU A 91 37.577 -58.272 -64.839 1.00 5.04 H new ATOM 0 HA LEU A 91 38.391 -55.601 -64.213 1.00 30.01 H new ATOM 0 HB2 LEU A 91 39.316 -55.609 -66.367 1.00 71.45 H new ATOM 0 HB3 LEU A 91 39.453 -57.272 -65.829 1.00 71.45 H new ATOM 0 HG LEU A 91 37.163 -56.342 -67.570 1.00 34.43 H new ATOM 0 HD11 LEU A 91 38.440 -57.176 -69.503 1.00 55.04 H new ATOM 0 HD12 LEU A 91 39.246 -55.793 -68.726 1.00 55.04 H new ATOM 0 HD13 LEU A 91 39.850 -57.444 -68.451 1.00 55.04 H new ATOM 0 HD21 LEU A 91 37.065 -58.731 -68.169 1.00 65.44 H new ATOM 0 HD22 LEU A 91 38.421 -59.059 -67.063 1.00 65.44 H new ATOM 0 HD23 LEU A 91 36.867 -58.481 -66.418 1.00 65.44 H new ATOM 1342 N VAL A 92 35.571 -56.080 -65.803 1.00 54.44 N ATOM 1343 CA VAL A 92 34.353 -55.424 -66.265 1.00 72.45 C ATOM 1344 C VAL A 92 33.796 -54.485 -65.201 1.00 65.13 C ATOM 1345 O VAL A 92 33.062 -53.546 -65.509 1.00 1.25 O ATOM 1346 CB VAL A 92 33.270 -56.453 -66.643 1.00 24.21 C ATOM 1347 CG1 VAL A 92 33.747 -57.334 -67.788 1.00 53.32 C ATOM 1348 CG2 VAL A 92 32.892 -57.295 -65.434 1.00 32.30 C ATOM 0 H VAL A 92 35.533 -57.099 -65.819 1.00 54.44 H new ATOM 0 HA VAL A 92 34.621 -54.847 -67.150 1.00 72.45 H new ATOM 0 HB VAL A 92 32.382 -55.915 -66.976 1.00 24.21 H new ATOM 0 HG11 VAL A 92 32.969 -58.054 -68.041 1.00 53.32 H new ATOM 0 HG12 VAL A 92 33.964 -56.714 -68.658 1.00 53.32 H new ATOM 0 HG13 VAL A 92 34.650 -57.866 -67.486 1.00 53.32 H new ATOM 0 HG21 VAL A 92 32.126 -58.017 -65.718 1.00 32.30 H new ATOM 0 HG22 VAL A 92 33.772 -57.825 -65.070 1.00 32.30 H new ATOM 0 HG23 VAL A 92 32.506 -56.648 -64.646 1.00 32.30 H new ATOM 1358 N LYS A 93 34.152 -54.744 -63.947 1.00 75.14 N ATOM 1359 CA LYS A 93 33.690 -53.921 -62.836 1.00 21.55 C ATOM 1360 C LYS A 93 34.291 -52.521 -62.908 1.00 62.54 C ATOM 1361 O LYS A 93 33.578 -51.523 -62.803 1.00 62.40 O ATOM 1362 CB LYS A 93 34.057 -54.577 -61.502 1.00 64.04 C ATOM 1363 CG LYS A 93 33.701 -53.733 -60.291 1.00 4.21 C ATOM 1364 CD LYS A 93 34.925 -53.435 -59.440 1.00 54.41 C ATOM 1365 CE LYS A 93 34.597 -52.469 -58.311 1.00 74.24 C ATOM 1366 NZ LYS A 93 35.807 -51.747 -57.830 1.00 54.01 N ATOM 0 H LYS A 93 34.759 -55.517 -63.675 1.00 75.14 H new ATOM 0 HA LYS A 93 32.606 -53.835 -62.907 1.00 21.55 H new ATOM 0 HB2 LYS A 93 33.548 -55.538 -61.427 1.00 64.04 H new ATOM 0 HB3 LYS A 93 35.128 -54.782 -61.490 1.00 64.04 H new ATOM 0 HG2 LYS A 93 33.248 -52.797 -60.619 1.00 4.21 H new ATOM 0 HG3 LYS A 93 32.956 -54.254 -59.689 1.00 4.21 H new ATOM 0 HD2 LYS A 93 35.315 -54.364 -59.024 1.00 54.41 H new ATOM 0 HD3 LYS A 93 35.710 -53.012 -60.066 1.00 54.41 H new ATOM 0 HE2 LYS A 93 33.856 -51.747 -58.654 1.00 74.24 H new ATOM 0 HE3 LYS A 93 34.148 -53.017 -57.483 1.00 74.24 H new ATOM 0 HZ1 LYS A 93 35.518 -50.922 -57.267 1.00 54.01 H new ATOM 0 HZ2 LYS A 93 36.380 -52.384 -57.241 1.00 54.01 H new ATOM 0 HZ3 LYS A 93 36.369 -51.430 -58.646 1.00 54.01 H new ATOM 1380 N ARG A 94 35.606 -52.456 -63.090 1.00 41.35 N ATOM 1381 CA ARG A 94 36.302 -51.178 -63.178 1.00 3.22 C ATOM 1382 C ARG A 94 35.772 -50.348 -64.344 1.00 21.34 C ATOM 1383 O ARG A 94 35.482 -49.161 -64.193 1.00 73.12 O ATOM 1384 CB ARG A 94 37.807 -51.403 -63.340 1.00 53.54 C ATOM 1385 CG ARG A 94 38.467 -52.015 -62.116 1.00 71.10 C ATOM 1386 CD ARG A 94 39.748 -51.283 -61.749 1.00 43.02 C ATOM 1387 NE ARG A 94 39.505 -49.878 -61.434 1.00 51.23 N ATOM 1388 CZ ARG A 94 38.906 -49.467 -60.322 1.00 4.11 C ATOM 1389 NH1 ARG A 94 38.493 -50.349 -59.423 1.00 30.31 N ATOM 1390 NH2 ARG A 94 38.721 -48.171 -60.107 1.00 11.22 N ATOM 0 H ARG A 94 36.210 -53.273 -63.179 1.00 41.35 H new ATOM 0 HA ARG A 94 36.121 -50.630 -62.253 1.00 3.22 H new ATOM 0 HB2 ARG A 94 37.978 -52.053 -64.198 1.00 53.54 H new ATOM 0 HB3 ARG A 94 38.286 -50.450 -63.562 1.00 53.54 H new ATOM 0 HG2 ARG A 94 37.775 -51.984 -61.274 1.00 71.10 H new ATOM 0 HG3 ARG A 94 38.689 -53.065 -62.308 1.00 71.10 H new ATOM 0 HD2 ARG A 94 40.212 -51.772 -60.892 1.00 43.02 H new ATOM 0 HD3 ARG A 94 40.455 -51.352 -62.576 1.00 43.02 H new ATOM 0 HE ARG A 94 39.812 -49.174 -62.105 1.00 51.23 H new ATOM 0 HH11 ARG A 94 38.635 -51.346 -59.584 1.00 30.31 H new ATOM 0 HH12 ARG A 94 38.033 -50.031 -58.570 1.00 30.31 H new ATOM 0 HH21 ARG A 94 39.039 -47.489 -60.796 1.00 11.22 H new ATOM 0 HH22 ARG A 94 38.261 -47.856 -59.253 1.00 11.22 H new ATOM 1404 N HIS A 95 35.649 -50.981 -65.506 1.00 31.51 N ATOM 1405 CA HIS A 95 35.154 -50.302 -66.698 1.00 34.12 C ATOM 1406 C HIS A 95 33.745 -49.761 -66.469 1.00 64.11 C ATOM 1407 O HIS A 95 33.423 -48.649 -66.887 1.00 21.24 O ATOM 1408 CB HIS A 95 35.158 -51.255 -67.893 1.00 63.51 C ATOM 1409 CG HIS A 95 34.192 -50.870 -68.971 1.00 4.22 C ATOM 1410 ND1 HIS A 95 34.059 -49.578 -69.435 1.00 64.33 N ATOM 1411 CD2 HIS A 95 33.310 -51.615 -69.677 1.00 44.23 C ATOM 1412 CE1 HIS A 95 33.136 -49.545 -70.380 1.00 22.34 C ATOM 1413 NE2 HIS A 95 32.666 -50.768 -70.546 1.00 24.51 N ATOM 0 H HIS A 95 35.885 -51.963 -65.648 1.00 31.51 H new ATOM 0 HA HIS A 95 35.817 -49.463 -66.910 1.00 34.12 H new ATOM 0 HB2 HIS A 95 36.163 -51.292 -68.314 1.00 63.51 H new ATOM 0 HB3 HIS A 95 34.920 -52.260 -67.546 1.00 63.51 H new ATOM 0 HD2 HIS A 95 33.143 -52.677 -69.576 1.00 44.23 H new ATOM 0 HE1 HIS A 95 32.820 -48.667 -70.924 1.00 22.34 H new ATOM 0 HE2 HIS A 95 31.942 -51.040 -71.211 1.00 24.51 H new ATOM 1421 N GLN A 96 32.912 -50.555 -65.805 1.00 22.41 N ATOM 1422 CA GLN A 96 31.539 -50.156 -65.523 1.00 14.12 C ATOM 1423 C GLN A 96 31.501 -49.000 -64.528 1.00 61.32 C ATOM 1424 O GLN A 96 30.691 -48.082 -64.658 1.00 11.51 O ATOM 1425 CB GLN A 96 30.742 -51.342 -64.975 1.00 44.31 C ATOM 1426 CG GLN A 96 29.386 -50.954 -64.410 1.00 35.43 C ATOM 1427 CD GLN A 96 28.673 -52.120 -63.752 1.00 4.45 C ATOM 1428 OE1 GLN A 96 27.868 -52.806 -64.382 1.00 24.14 O ATOM 1429 NE2 GLN A 96 28.967 -52.349 -62.477 1.00 33.50 N ATOM 0 H GLN A 96 33.164 -51.478 -65.452 1.00 22.41 H new ATOM 0 HA GLN A 96 31.086 -49.823 -66.457 1.00 14.12 H new ATOM 0 HB2 GLN A 96 30.599 -52.072 -65.772 1.00 44.31 H new ATOM 0 HB3 GLN A 96 31.325 -51.831 -64.195 1.00 44.31 H new ATOM 0 HG2 GLN A 96 29.516 -50.154 -63.681 1.00 35.43 H new ATOM 0 HG3 GLN A 96 28.763 -50.557 -65.211 1.00 35.43 H new ATOM 0 HE21 GLN A 96 29.641 -51.754 -61.994 1.00 33.50 H new ATOM 0 HE22 GLN A 96 28.519 -53.119 -61.981 1.00 33.50 H new ATOM 1438 N LEU A 97 32.382 -49.052 -63.535 1.00 70.32 N ATOM 1439 CA LEU A 97 32.450 -48.010 -62.517 1.00 52.52 C ATOM 1440 C LEU A 97 32.553 -46.629 -63.158 1.00 20.12 C ATOM 1441 O LEU A 97 31.777 -45.727 -62.841 1.00 33.42 O ATOM 1442 CB LEU A 97 33.647 -48.247 -61.595 1.00 33.03 C ATOM 1443 CG LEU A 97 33.458 -49.308 -60.510 1.00 14.44 C ATOM 1444 CD1 LEU A 97 34.778 -49.600 -59.813 1.00 54.20 C ATOM 1445 CD2 LEU A 97 32.409 -48.859 -59.502 1.00 72.14 C ATOM 0 H LEU A 97 33.059 -49.805 -63.413 1.00 70.32 H new ATOM 0 HA LEU A 97 31.533 -48.051 -61.929 1.00 52.52 H new ATOM 0 HB2 LEU A 97 34.502 -48.531 -62.208 1.00 33.03 H new ATOM 0 HB3 LEU A 97 33.901 -47.303 -61.112 1.00 33.03 H new ATOM 0 HG LEU A 97 33.110 -50.226 -60.983 1.00 14.44 H new ATOM 0 HD11 LEU A 97 34.624 -50.357 -59.044 1.00 54.20 H new ATOM 0 HD12 LEU A 97 35.501 -49.965 -60.542 1.00 54.20 H new ATOM 0 HD13 LEU A 97 35.156 -48.687 -59.353 1.00 54.20 H new ATOM 0 HD21 LEU A 97 32.287 -49.626 -58.737 1.00 72.14 H new ATOM 0 HD22 LEU A 97 32.729 -47.928 -59.034 1.00 72.14 H new ATOM 0 HD23 LEU A 97 31.459 -48.701 -60.012 1.00 72.14 H new ATOM 1457 N ILE A 98 33.515 -46.472 -64.061 1.00 74.33 N ATOM 1458 CA ILE A 98 33.717 -45.203 -64.749 1.00 14.13 C ATOM 1459 C ILE A 98 32.721 -45.032 -65.891 1.00 14.44 C ATOM 1460 O ILE A 98 32.292 -43.918 -66.192 1.00 52.54 O ATOM 1461 CB ILE A 98 35.147 -45.087 -65.308 1.00 52.01 C ATOM 1462 CG1 ILE A 98 35.355 -46.087 -66.447 1.00 52.13 C ATOM 1463 CG2 ILE A 98 36.168 -45.314 -64.203 1.00 73.43 C ATOM 1464 CD1 ILE A 98 36.731 -46.015 -67.071 1.00 1.12 C ATOM 0 H ILE A 98 34.167 -47.208 -64.333 1.00 74.33 H new ATOM 0 HA ILE A 98 33.559 -44.416 -64.012 1.00 14.13 H new ATOM 0 HB ILE A 98 35.286 -44.081 -65.703 1.00 52.01 H new ATOM 0 HG12 ILE A 98 35.189 -47.096 -66.069 1.00 52.13 H new ATOM 0 HG13 ILE A 98 34.606 -45.908 -67.218 1.00 52.13 H new ATOM 0 HG21 ILE A 98 37.174 -45.229 -64.614 1.00 73.43 H new ATOM 0 HG22 ILE A 98 36.031 -44.567 -63.422 1.00 73.43 H new ATOM 0 HG23 ILE A 98 36.032 -46.310 -63.781 1.00 73.43 H new ATOM 0 HD11 ILE A 98 36.807 -46.752 -67.871 1.00 1.12 H new ATOM 0 HD12 ILE A 98 36.893 -45.018 -67.480 1.00 1.12 H new ATOM 0 HD13 ILE A 98 37.486 -46.224 -66.313 1.00 1.12 H new ATOM 1476 N TYR A 99 32.355 -46.142 -66.521 1.00 63.21 N ATOM 1477 CA TYR A 99 31.410 -46.115 -67.631 1.00 33.44 C ATOM 1478 C TYR A 99 31.729 -44.974 -68.591 1.00 62.13 C ATOM 1479 O TYR A 99 30.885 -44.121 -68.863 1.00 21.31 O ATOM 1480 CB TYR A 99 29.980 -45.971 -67.106 1.00 41.44 C ATOM 1481 CG TYR A 99 28.927 -46.062 -68.187 1.00 74.02 C ATOM 1482 CD1 TYR A 99 28.893 -47.141 -69.062 1.00 32.21 C ATOM 1483 CD2 TYR A 99 27.966 -45.069 -68.335 1.00 30.25 C ATOM 1484 CE1 TYR A 99 27.933 -47.229 -70.051 1.00 52.24 C ATOM 1485 CE2 TYR A 99 27.001 -45.149 -69.320 1.00 64.31 C ATOM 1486 CZ TYR A 99 26.989 -46.231 -70.176 1.00 50.31 C ATOM 1487 OH TYR A 99 26.031 -46.313 -71.160 1.00 74.41 O ATOM 0 H TYR A 99 32.698 -47.072 -66.282 1.00 63.21 H new ATOM 0 HA TYR A 99 31.498 -47.056 -68.174 1.00 33.44 H new ATOM 0 HB2 TYR A 99 29.795 -46.747 -66.363 1.00 41.44 H new ATOM 0 HB3 TYR A 99 29.884 -45.012 -66.596 1.00 41.44 H new ATOM 0 HD1 TYR A 99 29.630 -47.925 -68.967 1.00 32.21 H new ATOM 0 HD2 TYR A 99 27.974 -44.220 -67.668 1.00 30.25 H new ATOM 0 HE1 TYR A 99 27.921 -48.075 -70.723 1.00 52.24 H new ATOM 0 HE2 TYR A 99 26.260 -44.369 -69.420 1.00 64.31 H new ATOM 0 HH TYR A 99 25.443 -45.531 -71.110 1.00 74.41 H new ATOM 1497 N GLY A 100 32.956 -44.966 -69.103 1.00 63.14 N ATOM 1498 CA GLY A 100 33.367 -43.926 -70.029 1.00 22.33 C ATOM 1499 C GLY A 100 33.332 -44.388 -71.472 1.00 45.11 C ATOM 1500 O GLY A 100 32.974 -43.623 -72.368 1.00 54.51 O ATOM 0 H GLY A 100 33.673 -45.661 -68.893 1.00 63.14 H new ATOM 0 HA2 GLY A 100 32.714 -43.061 -69.912 1.00 22.33 H new ATOM 0 HA3 GLY A 100 34.377 -43.600 -69.779 1.00 22.33 H new ATOM 1504 N LEU A 101 33.707 -45.642 -71.700 1.00 5.33 N ATOM 1505 CA LEU A 101 33.719 -46.204 -73.046 1.00 25.55 C ATOM 1506 C LEU A 101 32.383 -45.974 -73.744 1.00 21.21 C ATOM 1507 O LEU A 101 31.367 -45.720 -73.096 1.00 2.25 O ATOM 1508 CB LEU A 101 34.028 -47.702 -72.991 1.00 1.32 C ATOM 1509 CG LEU A 101 35.077 -48.207 -73.982 1.00 22.44 C ATOM 1510 CD1 LEU A 101 36.455 -47.675 -73.618 1.00 73.14 C ATOM 1511 CD2 LEU A 101 35.084 -49.729 -74.021 1.00 5.44 C ATOM 0 H LEU A 101 34.007 -46.289 -70.970 1.00 5.33 H new ATOM 0 HA LEU A 101 34.498 -45.699 -73.618 1.00 25.55 H new ATOM 0 HB2 LEU A 101 34.362 -47.947 -71.983 1.00 1.32 H new ATOM 0 HB3 LEU A 101 33.102 -48.250 -73.162 1.00 1.32 H new ATOM 0 HG LEU A 101 34.819 -47.839 -74.975 1.00 22.44 H new ATOM 0 HD11 LEU A 101 37.189 -48.045 -74.334 1.00 73.14 H new ATOM 0 HD12 LEU A 101 36.442 -46.585 -73.642 1.00 73.14 H new ATOM 0 HD13 LEU A 101 36.723 -48.013 -72.617 1.00 73.14 H new ATOM 0 HD21 LEU A 101 35.836 -50.071 -74.731 1.00 5.44 H new ATOM 0 HD22 LEU A 101 35.318 -50.117 -73.030 1.00 5.44 H new ATOM 0 HD23 LEU A 101 34.103 -50.090 -74.330 1.00 5.44 H new ATOM 1523 N LEU A 102 32.390 -46.067 -75.069 1.00 64.21 N ATOM 1524 CA LEU A 102 31.178 -45.871 -75.856 1.00 61.45 C ATOM 1525 C LEU A 102 30.668 -44.440 -75.724 1.00 32.13 C ATOM 1526 O LEU A 102 29.826 -44.147 -74.875 1.00 53.11 O ATOM 1527 CB LEU A 102 30.094 -46.855 -75.413 1.00 13.24 C ATOM 1528 CG LEU A 102 29.055 -47.230 -76.470 1.00 34.23 C ATOM 1529 CD1 LEU A 102 28.261 -46.005 -76.897 1.00 32.25 C ATOM 1530 CD2 LEU A 102 29.727 -47.878 -77.672 1.00 14.14 C ATOM 0 H LEU A 102 33.222 -46.277 -75.621 1.00 64.21 H new ATOM 0 HA LEU A 102 31.420 -46.055 -76.903 1.00 61.45 H new ATOM 0 HB2 LEU A 102 30.579 -47.769 -75.069 1.00 13.24 H new ATOM 0 HB3 LEU A 102 29.573 -46.429 -74.556 1.00 13.24 H new ATOM 0 HG LEU A 102 28.364 -47.951 -76.033 1.00 34.23 H new ATOM 0 HD11 LEU A 102 27.527 -46.292 -77.650 1.00 32.25 H new ATOM 0 HD12 LEU A 102 27.749 -45.584 -76.032 1.00 32.25 H new ATOM 0 HD13 LEU A 102 28.938 -45.260 -77.316 1.00 32.25 H new ATOM 0 HD21 LEU A 102 28.972 -48.138 -78.414 1.00 14.14 H new ATOM 0 HD22 LEU A 102 30.441 -47.180 -78.110 1.00 14.14 H new ATOM 0 HD23 LEU A 102 30.250 -48.780 -77.354 1.00 14.14 H new ATOM 1542 N SER A 103 31.182 -43.553 -76.570 1.00 30.14 N ATOM 1543 CA SER A 103 30.780 -42.152 -76.546 1.00 14.31 C ATOM 1544 C SER A 103 31.043 -41.488 -77.894 1.00 4.10 C ATOM 1545 O SER A 103 30.119 -41.240 -78.668 1.00 15.12 O ATOM 1546 CB SER A 103 31.527 -41.403 -75.441 1.00 24.11 C ATOM 1547 OG SER A 103 30.722 -41.265 -74.283 1.00 71.12 O ATOM 0 H SER A 103 31.878 -43.780 -77.281 1.00 30.14 H new ATOM 0 HA SER A 103 29.710 -42.111 -76.343 1.00 14.31 H new ATOM 0 HB2 SER A 103 32.442 -41.939 -75.189 1.00 24.11 H new ATOM 0 HB3 SER A 103 31.823 -40.418 -75.801 1.00 24.11 H new ATOM 0 HG SER A 103 30.209 -42.088 -74.141 1.00 71.12 H new ATOM 1553 N ASP A 104 32.312 -41.203 -78.168 1.00 13.24 N ATOM 1554 CA ASP A 104 32.699 -40.569 -79.422 1.00 43.53 C ATOM 1555 C ASP A 104 32.614 -41.558 -80.580 1.00 50.24 C ATOM 1556 O ASP A 104 32.489 -41.162 -81.739 1.00 15.04 O ATOM 1557 CB ASP A 104 34.118 -40.008 -79.318 1.00 3.32 C ATOM 1558 CG ASP A 104 34.507 -39.187 -80.532 1.00 2.24 C ATOM 1559 OD1 ASP A 104 34.700 -39.781 -81.613 1.00 43.02 O ATOM 1560 OD2 ASP A 104 34.618 -37.950 -80.400 1.00 74.03 O ATOM 0 H ASP A 104 33.089 -41.401 -77.538 1.00 13.24 H new ATOM 0 HA ASP A 104 32.006 -39.750 -79.615 1.00 43.53 H new ATOM 0 HB2 ASP A 104 34.196 -39.389 -78.424 1.00 3.32 H new ATOM 0 HB3 ASP A 104 34.823 -40.831 -79.198 1.00 3.32 H new ATOM 1565 N GLU A 105 32.684 -42.846 -80.258 1.00 40.33 N ATOM 1566 CA GLU A 105 32.617 -43.891 -81.273 1.00 14.11 C ATOM 1567 C GLU A 105 31.383 -43.716 -82.153 1.00 54.34 C ATOM 1568 O GLU A 105 31.378 -44.109 -83.320 1.00 35.41 O ATOM 1569 CB GLU A 105 32.594 -45.272 -80.614 1.00 5.41 C ATOM 1570 CG GLU A 105 33.780 -45.528 -79.699 1.00 31.33 C ATOM 1571 CD GLU A 105 33.390 -46.263 -78.431 1.00 71.41 C ATOM 1572 OE1 GLU A 105 32.570 -47.201 -78.518 1.00 71.44 O ATOM 1573 OE2 GLU A 105 33.904 -45.901 -77.352 1.00 71.04 O ATOM 0 H GLU A 105 32.787 -43.190 -79.303 1.00 40.33 H new ATOM 0 HA GLU A 105 33.505 -43.810 -81.900 1.00 14.11 H new ATOM 0 HB2 GLU A 105 31.673 -45.376 -80.040 1.00 5.41 H new ATOM 0 HB3 GLU A 105 32.573 -46.036 -81.391 1.00 5.41 H new ATOM 0 HG2 GLU A 105 34.529 -46.110 -80.236 1.00 31.33 H new ATOM 0 HG3 GLU A 105 34.243 -44.577 -79.436 1.00 31.33 H new ATOM 1580 N PHE A 106 30.338 -43.123 -81.586 1.00 14.51 N ATOM 1581 CA PHE A 106 29.097 -42.896 -82.318 1.00 34.05 C ATOM 1582 C PHE A 106 29.288 -41.836 -83.399 1.00 23.44 C ATOM 1583 O PHE A 106 28.675 -41.902 -84.464 1.00 44.24 O ATOM 1584 CB PHE A 106 27.985 -42.466 -81.358 1.00 21.41 C ATOM 1585 CG PHE A 106 27.504 -41.062 -81.588 1.00 23.14 C ATOM 1586 CD1 PHE A 106 28.147 -39.989 -80.991 1.00 32.55 C ATOM 1587 CD2 PHE A 106 26.410 -40.815 -82.401 1.00 3.40 C ATOM 1588 CE1 PHE A 106 27.706 -38.696 -81.200 1.00 31.53 C ATOM 1589 CE2 PHE A 106 25.965 -39.524 -82.614 1.00 41.52 C ATOM 1590 CZ PHE A 106 26.615 -38.463 -82.013 1.00 75.15 C ATOM 0 H PHE A 106 30.325 -42.791 -80.622 1.00 14.51 H new ATOM 0 HA PHE A 106 28.812 -43.832 -82.798 1.00 34.05 H new ATOM 0 HB2 PHE A 106 27.143 -43.151 -81.460 1.00 21.41 H new ATOM 0 HB3 PHE A 106 28.346 -42.555 -80.333 1.00 21.41 H new ATOM 0 HD1 PHE A 106 29.002 -40.165 -80.355 1.00 32.55 H new ATOM 0 HD2 PHE A 106 25.899 -41.641 -82.874 1.00 3.40 H new ATOM 0 HE1 PHE A 106 28.215 -37.869 -80.728 1.00 31.53 H new ATOM 0 HE2 PHE A 106 25.110 -39.345 -83.249 1.00 41.52 H new ATOM 0 HZ PHE A 106 26.270 -37.453 -82.179 1.00 75.15 H new ATOM 1600 N LYS A 107 30.143 -40.859 -83.116 1.00 24.41 N ATOM 1601 CA LYS A 107 30.418 -39.785 -84.062 1.00 42.24 C ATOM 1602 C LYS A 107 31.427 -40.232 -85.115 1.00 43.12 C ATOM 1603 O LYS A 107 31.350 -39.826 -86.274 1.00 74.44 O ATOM 1604 CB LYS A 107 30.946 -38.551 -83.326 1.00 30.40 C ATOM 1605 CG LYS A 107 31.457 -37.462 -84.253 1.00 30.11 C ATOM 1606 CD LYS A 107 31.636 -36.144 -83.519 1.00 2.14 C ATOM 1607 CE LYS A 107 31.558 -34.960 -84.471 1.00 25.42 C ATOM 1608 NZ LYS A 107 31.703 -33.662 -83.755 1.00 73.43 N ATOM 0 H LYS A 107 30.658 -40.789 -82.238 1.00 24.41 H new ATOM 0 HA LYS A 107 29.485 -39.530 -84.564 1.00 42.24 H new ATOM 0 HB2 LYS A 107 30.151 -38.142 -82.703 1.00 30.40 H new ATOM 0 HB3 LYS A 107 31.751 -38.854 -82.657 1.00 30.40 H new ATOM 0 HG2 LYS A 107 32.408 -37.770 -84.688 1.00 30.11 H new ATOM 0 HG3 LYS A 107 30.758 -37.328 -85.078 1.00 30.11 H new ATOM 0 HD2 LYS A 107 30.868 -36.046 -82.752 1.00 2.14 H new ATOM 0 HD3 LYS A 107 32.599 -36.139 -83.008 1.00 2.14 H new ATOM 0 HE2 LYS A 107 32.340 -35.048 -85.225 1.00 25.42 H new ATOM 0 HE3 LYS A 107 30.604 -34.980 -84.998 1.00 25.42 H new ATOM 0 HZ1 LYS A 107 31.644 -32.880 -84.438 1.00 73.43 H new ATOM 0 HZ2 LYS A 107 30.942 -33.566 -83.053 1.00 73.43 H new ATOM 0 HZ3 LYS A 107 32.624 -33.632 -83.273 1.00 73.43 H new ATOM 1622 N ALA A 108 32.373 -41.071 -84.704 1.00 15.32 N ATOM 1623 CA ALA A 108 33.394 -41.575 -85.613 1.00 23.34 C ATOM 1624 C ALA A 108 32.871 -42.754 -86.426 1.00 64.14 C ATOM 1625 O ALA A 108 32.932 -42.748 -87.655 1.00 62.41 O ATOM 1626 CB ALA A 108 34.639 -41.978 -84.836 1.00 30.42 C ATOM 0 H ALA A 108 32.453 -41.415 -83.747 1.00 15.32 H new ATOM 0 HA ALA A 108 33.655 -40.776 -86.307 1.00 23.34 H new ATOM 0 HB1 ALA A 108 35.394 -42.353 -85.527 1.00 30.42 H new ATOM 0 HB2 ALA A 108 35.032 -41.112 -84.304 1.00 30.42 H new ATOM 0 HB3 ALA A 108 34.384 -42.759 -84.119 1.00 30.42 H new ATOM 1632 N GLY A 109 32.358 -43.765 -85.732 1.00 71.44 N ATOM 1633 CA GLY A 109 31.833 -44.938 -86.408 1.00 13.43 C ATOM 1634 C GLY A 109 32.734 -46.147 -86.255 1.00 13.01 C ATOM 1635 O GLY A 109 32.617 -47.116 -87.006 1.00 61.30 O ATOM 0 H GLY A 109 32.296 -43.793 -84.714 1.00 71.44 H new ATOM 0 HA2 GLY A 109 30.846 -45.172 -86.010 1.00 13.43 H new ATOM 0 HA3 GLY A 109 31.705 -44.716 -87.467 1.00 13.43 H new ATOM 1639 N LEU A 110 33.636 -46.091 -85.282 1.00 30.34 N ATOM 1640 CA LEU A 110 34.563 -47.190 -85.033 1.00 75.44 C ATOM 1641 C LEU A 110 34.398 -47.732 -83.617 1.00 10.00 C ATOM 1642 O LEU A 110 34.221 -46.970 -82.666 1.00 40.41 O ATOM 1643 CB LEU A 110 36.004 -46.727 -85.250 1.00 61.02 C ATOM 1644 CG LEU A 110 36.247 -45.837 -86.469 1.00 53.53 C ATOM 1645 CD1 LEU A 110 35.480 -46.360 -87.674 1.00 30.02 C ATOM 1646 CD2 LEU A 110 35.851 -44.399 -86.167 1.00 1.43 C ATOM 0 H LEU A 110 33.746 -45.296 -84.652 1.00 30.34 H new ATOM 0 HA LEU A 110 34.336 -47.991 -85.737 1.00 75.44 H new ATOM 0 HB2 LEU A 110 36.329 -46.187 -84.361 1.00 61.02 H new ATOM 0 HB3 LEU A 110 36.639 -47.609 -85.337 1.00 61.02 H new ATOM 0 HG LEU A 110 37.311 -45.859 -86.704 1.00 53.53 H new ATOM 0 HD11 LEU A 110 35.665 -45.714 -88.532 1.00 30.02 H new ATOM 0 HD12 LEU A 110 35.811 -47.373 -87.904 1.00 30.02 H new ATOM 0 HD13 LEU A 110 34.413 -46.369 -87.450 1.00 30.02 H new ATOM 0 HD21 LEU A 110 36.031 -43.780 -87.046 1.00 1.43 H new ATOM 0 HD22 LEU A 110 34.793 -44.360 -85.906 1.00 1.43 H new ATOM 0 HD23 LEU A 110 36.445 -44.026 -85.333 1.00 1.43 H new ATOM 1658 N HIS A 111 34.460 -49.053 -83.483 1.00 74.11 N ATOM 1659 CA HIS A 111 34.320 -49.697 -82.182 1.00 2.02 C ATOM 1660 C HIS A 111 35.385 -49.196 -81.211 1.00 11.42 C ATOM 1661 O HIS A 111 36.152 -48.288 -81.530 1.00 51.23 O ATOM 1662 CB HIS A 111 34.421 -51.216 -82.327 1.00 53.33 C ATOM 1663 CG HIS A 111 33.182 -51.942 -81.900 1.00 2.50 C ATOM 1664 ND1 HIS A 111 33.183 -52.929 -80.937 1.00 52.42 N ATOM 1665 CD2 HIS A 111 31.898 -51.818 -82.309 1.00 51.21 C ATOM 1666 CE1 HIS A 111 31.953 -53.382 -80.774 1.00 13.12 C ATOM 1667 NE2 HIS A 111 31.154 -52.724 -81.594 1.00 52.13 N ATOM 0 H HIS A 111 34.606 -49.698 -84.259 1.00 74.11 H new ATOM 0 HA HIS A 111 33.339 -49.442 -81.782 1.00 2.02 H new ATOM 0 HB2 HIS A 111 34.635 -51.460 -83.368 1.00 53.33 H new ATOM 0 HB3 HIS A 111 35.264 -51.574 -81.736 1.00 53.33 H new ATOM 0 HD2 HIS A 111 31.527 -51.134 -83.058 1.00 51.21 H new ATOM 0 HE1 HIS A 111 31.652 -54.159 -80.087 1.00 13.12 H new ATOM 0 HE2 HIS A 111 30.148 -52.866 -81.682 1.00 52.13 H new ATOM 1675 N ALA A 112 35.425 -49.793 -80.024 1.00 52.41 N ATOM 1676 CA ALA A 112 36.396 -49.407 -79.007 1.00 72.44 C ATOM 1677 C ALA A 112 36.749 -50.589 -78.110 1.00 13.41 C ATOM 1678 O ALA A 112 35.982 -51.546 -77.995 1.00 53.45 O ATOM 1679 CB ALA A 112 35.859 -48.252 -78.176 1.00 11.03 C ATOM 0 H ALA A 112 34.796 -50.546 -79.743 1.00 52.41 H new ATOM 0 HA ALA A 112 37.306 -49.083 -79.512 1.00 72.44 H new ATOM 0 HB1 ALA A 112 36.594 -47.974 -77.421 1.00 11.03 H new ATOM 0 HB2 ALA A 112 35.664 -47.397 -78.824 1.00 11.03 H new ATOM 0 HB3 ALA A 112 34.933 -48.555 -77.687 1.00 11.03 H new ATOM 1685 N LEU A 113 37.914 -50.516 -77.475 1.00 74.05 N ATOM 1686 CA LEU A 113 38.369 -51.580 -76.588 1.00 31.42 C ATOM 1687 C LEU A 113 38.644 -51.041 -75.188 1.00 20.33 C ATOM 1688 O LEU A 113 39.074 -49.900 -75.025 1.00 2.12 O ATOM 1689 CB LEU A 113 39.631 -52.236 -77.151 1.00 72.31 C ATOM 1690 CG LEU A 113 40.589 -51.312 -77.903 1.00 5.05 C ATOM 1691 CD1 LEU A 113 42.021 -51.809 -77.773 1.00 41.51 C ATOM 1692 CD2 LEU A 113 40.190 -51.206 -79.367 1.00 61.01 C ATOM 0 H LEU A 113 38.560 -49.731 -77.558 1.00 74.05 H new ATOM 0 HA LEU A 113 37.578 -52.327 -76.521 1.00 31.42 H new ATOM 0 HB2 LEU A 113 40.175 -52.697 -76.327 1.00 72.31 H new ATOM 0 HB3 LEU A 113 39.330 -53.039 -77.823 1.00 72.31 H new ATOM 0 HG LEU A 113 40.529 -50.318 -77.459 1.00 5.05 H new ATOM 0 HD11 LEU A 113 42.689 -51.139 -78.314 1.00 41.51 H new ATOM 0 HD12 LEU A 113 42.304 -51.831 -76.721 1.00 41.51 H new ATOM 0 HD13 LEU A 113 42.097 -52.813 -78.191 1.00 41.51 H new ATOM 0 HD21 LEU A 113 40.883 -50.544 -79.886 1.00 61.01 H new ATOM 0 HD22 LEU A 113 40.220 -52.195 -79.825 1.00 61.01 H new ATOM 0 HD23 LEU A 113 39.180 -50.803 -79.441 1.00 61.01 H new ATOM 1704 N ALA A 114 38.395 -51.871 -74.180 1.00 73.21 N ATOM 1705 CA ALA A 114 38.620 -51.480 -72.794 1.00 55.52 C ATOM 1706 C ALA A 114 39.366 -52.568 -72.030 1.00 45.34 C ATOM 1707 O ALA A 114 39.076 -53.754 -72.179 1.00 62.24 O ATOM 1708 CB ALA A 114 37.296 -51.168 -72.113 1.00 15.45 C ATOM 0 H ALA A 114 38.037 -52.819 -74.298 1.00 73.21 H new ATOM 0 HA ALA A 114 39.239 -50.582 -72.792 1.00 55.52 H new ATOM 0 HB1 ALA A 114 37.479 -50.877 -71.078 1.00 15.45 H new ATOM 0 HB2 ALA A 114 36.801 -50.351 -72.637 1.00 15.45 H new ATOM 0 HB3 ALA A 114 36.659 -52.052 -72.134 1.00 15.45 H new ATOM 1714 N MET A 115 40.330 -52.155 -71.213 1.00 71.41 N ATOM 1715 CA MET A 115 41.118 -53.096 -70.426 1.00 22.33 C ATOM 1716 C MET A 115 41.421 -52.528 -69.043 1.00 11.01 C ATOM 1717 O MET A 115 42.065 -51.486 -68.915 1.00 63.24 O ATOM 1718 CB MET A 115 42.424 -53.432 -71.149 1.00 52.52 C ATOM 1719 CG MET A 115 42.257 -53.621 -72.648 1.00 74.21 C ATOM 1720 SD MET A 115 43.444 -54.790 -73.337 1.00 31.30 S ATOM 1721 CE MET A 115 44.940 -53.806 -73.313 1.00 64.44 C ATOM 0 H MET A 115 40.584 -51.176 -71.079 1.00 71.41 H new ATOM 0 HA MET A 115 40.533 -54.008 -70.305 1.00 22.33 H new ATOM 0 HB2 MET A 115 43.145 -52.634 -70.970 1.00 52.52 H new ATOM 0 HB3 MET A 115 42.843 -54.342 -70.721 1.00 52.52 H new ATOM 0 HG2 MET A 115 41.246 -53.971 -72.856 1.00 74.21 H new ATOM 0 HG3 MET A 115 42.370 -52.658 -73.146 1.00 74.21 H new ATOM 0 HE1 MET A 115 45.690 -54.268 -73.956 1.00 64.44 H new ATOM 0 HE2 MET A 115 44.721 -52.802 -73.675 1.00 64.44 H new ATOM 0 HE3 MET A 115 45.322 -53.749 -72.294 1.00 64.44 H new ATOM 1731 N THR A 116 40.952 -53.219 -68.008 1.00 52.42 N ATOM 1732 CA THR A 116 41.171 -52.782 -66.635 1.00 41.22 C ATOM 1733 C THR A 116 41.866 -53.865 -65.818 1.00 41.10 C ATOM 1734 O THR A 116 41.339 -54.965 -65.649 1.00 14.23 O ATOM 1735 CB THR A 116 39.845 -52.406 -65.947 1.00 24.34 C ATOM 1736 OG1 THR A 116 39.266 -53.564 -65.336 1.00 34.34 O ATOM 1737 CG2 THR A 116 38.866 -51.810 -66.946 1.00 62.24 C ATOM 0 H THR A 116 40.418 -54.084 -68.095 1.00 52.42 H new ATOM 0 HA THR A 116 41.810 -51.900 -66.682 1.00 41.22 H new ATOM 0 HB THR A 116 40.057 -51.659 -65.182 1.00 24.34 H new ATOM 0 HG1 THR A 116 38.292 -53.539 -65.445 1.00 34.34 H new ATOM 0 HG21 THR A 116 37.938 -51.553 -66.436 1.00 62.24 H new ATOM 0 HG22 THR A 116 39.298 -50.912 -67.388 1.00 62.24 H new ATOM 0 HG23 THR A 116 38.659 -52.537 -67.731 1.00 62.24 H new ATOM 1745 N THR A 117 43.054 -53.548 -65.312 1.00 14.54 N ATOM 1746 CA THR A 117 43.821 -54.494 -64.512 1.00 43.21 C ATOM 1747 C THR A 117 44.111 -53.933 -63.125 1.00 25.13 C ATOM 1748 O THR A 117 44.916 -53.014 -62.971 1.00 12.33 O ATOM 1749 CB THR A 117 45.153 -54.856 -65.196 1.00 22.22 C ATOM 1750 OG1 THR A 117 46.077 -55.368 -64.229 1.00 0.23 O ATOM 1751 CG2 THR A 117 45.755 -53.642 -65.886 1.00 51.35 C ATOM 0 H THR A 117 43.506 -52.643 -65.442 1.00 14.54 H new ATOM 0 HA THR A 117 43.213 -55.394 -64.417 1.00 43.21 H new ATOM 0 HB THR A 117 44.954 -55.620 -65.948 1.00 22.22 H new ATOM 0 HG1 THR A 117 46.921 -55.597 -64.672 1.00 0.23 H new ATOM 0 HG21 THR A 117 46.695 -53.923 -66.362 1.00 51.35 H new ATOM 0 HG22 THR A 117 45.062 -53.272 -66.642 1.00 51.35 H new ATOM 0 HG23 THR A 117 45.940 -52.860 -65.150 1.00 51.35 H new ATOM 1759 N LYS A 118 43.452 -54.492 -62.116 1.00 22.42 N ATOM 1760 CA LYS A 118 43.640 -54.050 -60.739 1.00 64.02 C ATOM 1761 C LYS A 118 43.854 -55.240 -59.810 1.00 32.35 C ATOM 1762 O LYS A 118 43.225 -56.287 -59.969 1.00 31.10 O ATOM 1763 CB LYS A 118 42.431 -53.236 -60.274 1.00 30.14 C ATOM 1764 CG LYS A 118 42.599 -52.635 -58.889 1.00 31.33 C ATOM 1765 CD LYS A 118 41.451 -53.020 -57.971 1.00 33.11 C ATOM 1766 CE LYS A 118 41.038 -51.860 -57.078 1.00 53.13 C ATOM 1767 NZ LYS A 118 39.931 -52.237 -56.156 1.00 1.54 N ATOM 0 H LYS A 118 42.782 -55.253 -62.226 1.00 22.42 H new ATOM 0 HA LYS A 118 44.529 -53.420 -60.704 1.00 64.02 H new ATOM 0 HB2 LYS A 118 42.247 -52.434 -60.989 1.00 30.14 H new ATOM 0 HB3 LYS A 118 41.549 -53.876 -60.279 1.00 30.14 H new ATOM 0 HG2 LYS A 118 43.541 -52.973 -58.457 1.00 31.33 H new ATOM 0 HG3 LYS A 118 42.655 -51.549 -58.967 1.00 31.33 H new ATOM 0 HD2 LYS A 118 40.598 -53.342 -58.569 1.00 33.11 H new ATOM 0 HD3 LYS A 118 41.746 -53.869 -57.354 1.00 33.11 H new ATOM 0 HE2 LYS A 118 41.897 -51.526 -56.496 1.00 53.13 H new ATOM 0 HE3 LYS A 118 40.725 -51.019 -57.697 1.00 53.13 H new ATOM 0 HZ1 LYS A 118 39.678 -51.420 -55.564 1.00 1.54 H new ATOM 0 HZ2 LYS A 118 39.102 -52.532 -56.711 1.00 1.54 H new ATOM 0 HZ3 LYS A 118 40.238 -53.023 -55.548 1.00 1.54 H new ATOM 1781 N THR A 119 44.744 -55.073 -58.836 1.00 62.44 N ATOM 1782 CA THR A 119 45.040 -56.133 -57.881 1.00 60.51 C ATOM 1783 C THR A 119 43.764 -56.667 -57.239 1.00 44.03 C ATOM 1784 O THR A 119 42.750 -55.975 -57.149 1.00 71.33 O ATOM 1785 CB THR A 119 45.992 -55.642 -56.774 1.00 33.42 C ATOM 1786 OG1 THR A 119 45.488 -54.433 -56.195 1.00 75.43 O ATOM 1787 CG2 THR A 119 47.388 -55.402 -57.328 1.00 11.32 C ATOM 0 H THR A 119 45.272 -54.213 -58.688 1.00 62.44 H new ATOM 0 HA THR A 119 45.526 -56.934 -58.438 1.00 60.51 H new ATOM 0 HB THR A 119 46.051 -56.414 -56.007 1.00 33.42 H new ATOM 0 HG1 THR A 119 46.093 -53.692 -56.407 1.00 75.43 H new ATOM 0 HG21 THR A 119 48.042 -55.056 -56.528 1.00 11.32 H new ATOM 0 HG22 THR A 119 47.780 -56.331 -57.741 1.00 11.32 H new ATOM 0 HG23 THR A 119 47.343 -54.647 -58.113 1.00 11.32 H new