USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 -110:sc= -0.441 USER MOD Set 1.2: A 83 SER OG : rot -71:sc= -0.639 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -118:sc= 0.479 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0226) USER MOD Single : A 45 SER OG : rot 180:sc= -0.138 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.4!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.166 USER MOD Single : A 56 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.15) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3.6) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc=-0.00409 (180deg=-0.146) USER MOD Single : A 90 THR OG1 : rot 150:sc= -3.84! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-1.5) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.355 USER MOD Single : A 103 SER OG : rot 58:sc= 0.522 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.38) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -135:sc= -1.48 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0301 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 33.853 -39.666 -71.307 1.00 12.14 N ATOM 472 CA ALA A 33 33.158 -40.587 -72.198 1.00 2.05 C ATOM 473 C ALA A 33 32.481 -41.705 -71.412 1.00 2.11 C ATOM 474 O ALA A 33 32.915 -42.058 -70.316 1.00 50.41 O ATOM 475 CB ALA A 33 34.128 -41.168 -73.216 1.00 54.55 C ATOM 0 HA ALA A 33 32.384 -40.029 -72.726 1.00 2.05 H new ATOM 0 HB1 ALA A 33 33.596 -41.854 -73.875 1.00 54.55 H new ATOM 0 HB2 ALA A 33 34.562 -40.361 -73.806 1.00 54.55 H new ATOM 0 HB3 ALA A 33 34.922 -41.706 -72.697 1.00 54.55 H new ATOM 481 N GLY A 34 31.414 -42.259 -71.980 1.00 11.23 N ATOM 482 CA GLY A 34 30.694 -43.331 -71.318 1.00 13.44 C ATOM 483 C GLY A 34 31.604 -44.467 -70.896 1.00 50.00 C ATOM 484 O GLY A 34 31.431 -45.044 -69.823 1.00 60.32 O ATOM 0 H GLY A 34 31.036 -41.985 -72.887 1.00 11.23 H new ATOM 0 HA2 GLY A 34 30.183 -42.934 -70.441 1.00 13.44 H new ATOM 0 HA3 GLY A 34 29.925 -43.716 -71.988 1.00 13.44 H new ATOM 488 N ALA A 35 32.576 -44.790 -71.743 1.00 73.02 N ATOM 489 CA ALA A 35 33.517 -45.865 -71.452 1.00 53.45 C ATOM 490 C ALA A 35 34.311 -45.571 -70.184 1.00 41.45 C ATOM 491 O ALA A 35 34.775 -46.487 -69.505 1.00 15.11 O ATOM 492 CB ALA A 35 34.457 -46.075 -72.630 1.00 21.52 C ATOM 0 H ALA A 35 32.732 -44.323 -72.636 1.00 73.02 H new ATOM 0 HA ALA A 35 32.948 -46.780 -71.288 1.00 53.45 H new ATOM 0 HB1 ALA A 35 35.155 -46.880 -72.400 1.00 21.52 H new ATOM 0 HB2 ALA A 35 33.878 -46.338 -73.515 1.00 21.52 H new ATOM 0 HB3 ALA A 35 35.013 -45.157 -72.820 1.00 21.52 H new ATOM 498 N ILE A 36 34.465 -44.288 -69.872 1.00 70.33 N ATOM 499 CA ILE A 36 35.203 -43.875 -68.685 1.00 43.25 C ATOM 500 C ILE A 36 34.694 -44.596 -67.442 1.00 52.12 C ATOM 501 O ILE A 36 35.448 -44.843 -66.501 1.00 1.31 O ATOM 502 CB ILE A 36 35.102 -42.355 -68.461 1.00 4.50 C ATOM 503 CG1 ILE A 36 36.361 -41.836 -67.762 1.00 14.42 C ATOM 504 CG2 ILE A 36 33.861 -42.021 -67.647 1.00 4.53 C ATOM 505 CD1 ILE A 36 37.029 -40.691 -68.491 1.00 73.20 C ATOM 0 H ILE A 36 34.089 -43.518 -70.425 1.00 70.33 H new ATOM 0 HA ILE A 36 36.247 -44.141 -68.854 1.00 43.25 H new ATOM 0 HB ILE A 36 35.019 -41.864 -69.431 1.00 4.50 H new ATOM 0 HG12 ILE A 36 36.100 -41.512 -66.755 1.00 14.42 H new ATOM 0 HG13 ILE A 36 37.073 -42.655 -67.659 1.00 14.42 H new ATOM 0 HG21 ILE A 36 33.804 -40.943 -67.497 1.00 4.53 H new ATOM 0 HG22 ILE A 36 32.973 -42.361 -68.181 1.00 4.53 H new ATOM 0 HG23 ILE A 36 33.916 -42.520 -66.679 1.00 4.53 H new ATOM 0 HD11 ILE A 36 37.914 -40.375 -67.939 1.00 73.20 H new ATOM 0 HD12 ILE A 36 37.322 -41.017 -69.489 1.00 73.20 H new ATOM 0 HD13 ILE A 36 36.333 -39.856 -68.571 1.00 73.20 H new ATOM 517 N LYS A 37 33.409 -44.933 -67.446 1.00 33.43 N ATOM 518 CA LYS A 37 32.797 -45.630 -66.320 1.00 51.41 C ATOM 519 C LYS A 37 33.438 -46.998 -66.113 1.00 70.13 C ATOM 520 O LYS A 37 33.675 -47.418 -64.981 1.00 31.42 O ATOM 521 CB LYS A 37 31.292 -45.789 -66.549 1.00 42.12 C ATOM 522 CG LYS A 37 30.442 -44.949 -65.611 1.00 71.54 C ATOM 523 CD LYS A 37 30.567 -45.421 -64.172 1.00 64.04 C ATOM 524 CE LYS A 37 29.412 -46.330 -63.781 1.00 24.00 C ATOM 525 NZ LYS A 37 28.954 -46.075 -62.387 1.00 72.23 N ATOM 0 H LYS A 37 32.771 -44.735 -68.216 1.00 33.43 H new ATOM 0 HA LYS A 37 32.961 -45.033 -65.423 1.00 51.41 H new ATOM 0 HB2 LYS A 37 31.059 -45.517 -67.579 1.00 42.12 H new ATOM 0 HB3 LYS A 37 31.023 -46.838 -66.428 1.00 42.12 H new ATOM 0 HG2 LYS A 37 30.746 -43.905 -65.680 1.00 71.54 H new ATOM 0 HG3 LYS A 37 29.398 -44.998 -65.922 1.00 71.54 H new ATOM 0 HD2 LYS A 37 31.510 -45.953 -64.043 1.00 64.04 H new ATOM 0 HD3 LYS A 37 30.594 -44.558 -63.506 1.00 64.04 H new ATOM 0 HE2 LYS A 37 28.581 -46.178 -64.470 1.00 24.00 H new ATOM 0 HE3 LYS A 37 29.720 -47.371 -63.878 1.00 24.00 H new ATOM 0 HZ1 LYS A 37 28.166 -46.714 -62.158 1.00 72.23 H new ATOM 0 HZ2 LYS A 37 29.740 -46.244 -61.727 1.00 72.23 H new ATOM 0 HZ3 LYS A 37 28.636 -45.089 -62.301 1.00 72.23 H new ATOM 539 N SER A 38 33.718 -47.688 -67.214 1.00 73.14 N ATOM 540 CA SER A 38 34.329 -49.010 -67.153 1.00 65.32 C ATOM 541 C SER A 38 35.737 -48.931 -66.571 1.00 45.00 C ATOM 542 O SER A 38 36.115 -49.733 -65.716 1.00 50.42 O ATOM 543 CB SER A 38 34.377 -49.639 -68.547 1.00 55.33 C ATOM 544 OG SER A 38 33.072 -49.818 -69.070 1.00 73.21 O ATOM 0 H SER A 38 33.531 -47.353 -68.159 1.00 73.14 H new ATOM 0 HA SER A 38 33.718 -49.635 -66.501 1.00 65.32 H new ATOM 0 HB2 SER A 38 34.957 -49.004 -69.217 1.00 55.33 H new ATOM 0 HB3 SER A 38 34.888 -50.601 -68.498 1.00 55.33 H new ATOM 0 HG SER A 38 32.907 -50.773 -69.218 1.00 73.21 H new ATOM 550 N LYS A 39 36.511 -47.958 -67.040 1.00 50.05 N ATOM 551 CA LYS A 39 37.877 -47.771 -66.568 1.00 4.55 C ATOM 552 C LYS A 39 37.895 -47.409 -65.086 1.00 25.33 C ATOM 553 O LYS A 39 38.817 -47.778 -64.358 1.00 4.22 O ATOM 554 CB LYS A 39 38.574 -46.676 -67.379 1.00 1.22 C ATOM 555 CG LYS A 39 38.665 -45.345 -66.652 1.00 53.14 C ATOM 556 CD LYS A 39 39.165 -44.242 -67.570 1.00 4.12 C ATOM 557 CE LYS A 39 39.504 -42.980 -66.791 1.00 22.11 C ATOM 558 NZ LYS A 39 40.151 -41.953 -67.654 1.00 14.45 N ATOM 0 H LYS A 39 36.214 -47.286 -67.748 1.00 50.05 H new ATOM 0 HA LYS A 39 38.413 -48.711 -66.702 1.00 4.55 H new ATOM 0 HB2 LYS A 39 39.579 -47.010 -67.635 1.00 1.22 H new ATOM 0 HB3 LYS A 39 38.037 -46.532 -68.317 1.00 1.22 H new ATOM 0 HG2 LYS A 39 37.685 -45.076 -66.259 1.00 53.14 H new ATOM 0 HG3 LYS A 39 39.335 -45.441 -65.798 1.00 53.14 H new ATOM 0 HD2 LYS A 39 40.048 -44.587 -68.108 1.00 4.12 H new ATOM 0 HD3 LYS A 39 38.404 -44.016 -68.317 1.00 4.12 H new ATOM 0 HE2 LYS A 39 38.594 -42.567 -66.355 1.00 22.11 H new ATOM 0 HE3 LYS A 39 40.169 -43.231 -65.964 1.00 22.11 H new ATOM 0 HZ1 LYS A 39 40.320 -41.090 -67.099 1.00 14.45 H new ATOM 0 HZ2 LYS A 39 41.057 -42.319 -68.010 1.00 14.45 H new ATOM 0 HZ3 LYS A 39 39.528 -41.732 -68.457 1.00 14.45 H new ATOM 572 N VAL A 40 36.870 -46.687 -64.645 1.00 22.24 N ATOM 573 CA VAL A 40 36.767 -46.279 -63.249 1.00 3.52 C ATOM 574 C VAL A 40 36.669 -47.489 -62.328 1.00 21.34 C ATOM 575 O VAL A 40 37.290 -47.525 -61.266 1.00 63.10 O ATOM 576 CB VAL A 40 35.544 -45.371 -63.018 1.00 61.34 C ATOM 577 CG1 VAL A 40 35.308 -45.160 -61.531 1.00 22.54 C ATOM 578 CG2 VAL A 40 35.727 -44.040 -63.732 1.00 33.15 C ATOM 0 H VAL A 40 36.099 -46.373 -65.234 1.00 22.24 H new ATOM 0 HA VAL A 40 37.674 -45.721 -63.015 1.00 3.52 H new ATOM 0 HB VAL A 40 34.665 -45.863 -63.434 1.00 61.34 H new ATOM 0 HG11 VAL A 40 34.440 -44.516 -61.388 1.00 22.54 H new ATOM 0 HG12 VAL A 40 35.129 -46.122 -61.051 1.00 22.54 H new ATOM 0 HG13 VAL A 40 36.185 -44.690 -61.086 1.00 22.54 H new ATOM 0 HG21 VAL A 40 34.854 -43.411 -63.558 1.00 33.15 H new ATOM 0 HG22 VAL A 40 36.616 -43.540 -63.348 1.00 33.15 H new ATOM 0 HG23 VAL A 40 35.842 -44.214 -64.802 1.00 33.15 H new ATOM 588 N GLU A 41 35.885 -48.479 -62.742 1.00 32.40 N ATOM 589 CA GLU A 41 35.705 -49.692 -61.953 1.00 24.32 C ATOM 590 C GLU A 41 37.048 -50.359 -61.667 1.00 70.22 C ATOM 591 O GLU A 41 37.203 -51.065 -60.671 1.00 72.45 O ATOM 592 CB GLU A 41 34.783 -50.671 -62.683 1.00 13.43 C ATOM 593 CG GLU A 41 35.522 -51.659 -63.568 1.00 62.42 C ATOM 594 CD GLU A 41 35.968 -52.897 -62.815 1.00 30.44 C ATOM 595 OE1 GLU A 41 35.093 -53.658 -62.352 1.00 32.22 O ATOM 596 OE2 GLU A 41 37.193 -53.105 -62.688 1.00 61.11 O ATOM 0 H GLU A 41 35.364 -48.465 -63.619 1.00 32.40 H new ATOM 0 HA GLU A 41 35.247 -49.412 -61.004 1.00 24.32 H new ATOM 0 HB2 GLU A 41 34.198 -51.223 -61.947 1.00 13.43 H new ATOM 0 HB3 GLU A 41 34.078 -50.107 -63.293 1.00 13.43 H new ATOM 0 HG2 GLU A 41 34.876 -51.954 -64.395 1.00 62.42 H new ATOM 0 HG3 GLU A 41 36.393 -51.170 -64.004 1.00 62.42 H new ATOM 603 N ALA A 42 38.015 -50.130 -62.549 1.00 44.50 N ATOM 604 CA ALA A 42 39.345 -50.706 -62.392 1.00 31.11 C ATOM 605 C ALA A 42 40.251 -49.785 -61.582 1.00 14.41 C ATOM 606 O ALA A 42 41.254 -50.222 -61.019 1.00 75.51 O ATOM 607 CB ALA A 42 39.961 -50.991 -63.754 1.00 31.24 C ATOM 0 H ALA A 42 37.902 -49.549 -63.380 1.00 44.50 H new ATOM 0 HA ALA A 42 39.245 -51.645 -61.847 1.00 31.11 H new ATOM 0 HB1 ALA A 42 40.954 -51.421 -63.622 1.00 31.24 H new ATOM 0 HB2 ALA A 42 39.331 -51.694 -64.298 1.00 31.24 H new ATOM 0 HB3 ALA A 42 40.040 -50.062 -64.319 1.00 31.24 H new ATOM 613 N ALA A 43 39.891 -48.506 -61.528 1.00 74.50 N ATOM 614 CA ALA A 43 40.670 -47.524 -60.786 1.00 3.22 C ATOM 615 C ALA A 43 40.756 -47.893 -59.309 1.00 20.23 C ATOM 616 O ALA A 43 41.762 -47.628 -58.649 1.00 51.31 O ATOM 617 CB ALA A 43 40.066 -46.137 -60.951 1.00 25.12 C ATOM 0 H ALA A 43 39.064 -48.127 -61.990 1.00 74.50 H new ATOM 0 HA ALA A 43 41.682 -47.519 -61.191 1.00 3.22 H new ATOM 0 HB1 ALA A 43 40.658 -45.413 -60.391 1.00 25.12 H new ATOM 0 HB2 ALA A 43 40.063 -45.865 -62.006 1.00 25.12 H new ATOM 0 HB3 ALA A 43 39.043 -46.138 -60.574 1.00 25.12 H new ATOM 623 N LEU A 44 39.695 -48.506 -58.795 1.00 25.04 N ATOM 624 CA LEU A 44 39.651 -48.912 -57.394 1.00 55.40 C ATOM 625 C LEU A 44 40.772 -49.896 -57.076 1.00 14.22 C ATOM 626 O LEU A 44 41.384 -49.831 -56.010 1.00 44.23 O ATOM 627 CB LEU A 44 38.295 -49.542 -57.068 1.00 63.04 C ATOM 628 CG LEU A 44 37.073 -48.643 -57.261 1.00 24.14 C ATOM 629 CD1 LEU A 44 35.828 -49.481 -57.507 1.00 1.41 C ATOM 630 CD2 LEU A 44 36.880 -47.740 -56.051 1.00 43.23 C ATOM 0 H LEU A 44 38.855 -48.733 -59.327 1.00 25.04 H new ATOM 0 HA LEU A 44 39.789 -48.023 -56.779 1.00 55.40 H new ATOM 0 HB2 LEU A 44 38.170 -50.429 -57.689 1.00 63.04 H new ATOM 0 HB3 LEU A 44 38.313 -49.879 -56.031 1.00 63.04 H new ATOM 0 HG LEU A 44 37.242 -48.015 -58.136 1.00 24.14 H new ATOM 0 HD11 LEU A 44 34.968 -48.825 -57.642 1.00 1.41 H new ATOM 0 HD12 LEU A 44 35.967 -50.085 -58.403 1.00 1.41 H new ATOM 0 HD13 LEU A 44 35.655 -50.135 -56.652 1.00 1.41 H new ATOM 0 HD21 LEU A 44 36.006 -47.107 -56.205 1.00 43.23 H new ATOM 0 HD22 LEU A 44 36.733 -48.351 -55.161 1.00 43.23 H new ATOM 0 HD23 LEU A 44 37.763 -47.114 -55.920 1.00 43.23 H new ATOM 642 N SER A 45 41.036 -50.806 -58.008 1.00 53.42 N ATOM 643 CA SER A 45 42.082 -51.805 -57.827 1.00 3.44 C ATOM 644 C SER A 45 43.456 -51.213 -58.126 1.00 42.30 C ATOM 645 O SER A 45 43.583 -50.147 -58.730 1.00 63.40 O ATOM 646 CB SER A 45 41.827 -53.012 -58.731 1.00 14.02 C ATOM 647 OG SER A 45 41.411 -54.136 -57.975 1.00 34.10 O ATOM 0 H SER A 45 40.539 -50.872 -58.897 1.00 53.42 H new ATOM 0 HA SER A 45 42.063 -52.129 -56.787 1.00 3.44 H new ATOM 0 HB2 SER A 45 41.064 -52.763 -59.469 1.00 14.02 H new ATOM 0 HB3 SER A 45 42.735 -53.256 -59.282 1.00 14.02 H new ATOM 0 HG SER A 45 41.253 -54.894 -58.576 1.00 34.10 H new ATOM 653 N PRO A 46 44.511 -51.919 -57.694 1.00 20.45 N ATOM 654 CA PRO A 46 45.895 -51.485 -57.904 1.00 1.55 C ATOM 655 C PRO A 46 46.314 -51.570 -59.367 1.00 72.13 C ATOM 656 O PRO A 46 47.027 -52.491 -59.768 1.00 33.14 O ATOM 657 CB PRO A 46 46.708 -52.467 -57.057 1.00 11.15 C ATOM 658 CG PRO A 46 45.856 -53.686 -56.968 1.00 10.20 C ATOM 659 CD PRO A 46 44.434 -53.198 -56.967 1.00 13.34 C ATOM 0 HA PRO A 46 46.040 -50.441 -57.627 1.00 1.55 H new ATOM 0 HB2 PRO A 46 47.669 -52.689 -57.521 1.00 11.15 H new ATOM 0 HB3 PRO A 46 46.918 -52.058 -56.069 1.00 11.15 H new ATOM 0 HG2 PRO A 46 46.039 -54.353 -57.811 1.00 10.20 H new ATOM 0 HG3 PRO A 46 46.076 -54.250 -56.062 1.00 10.20 H new ATOM 0 HD2 PRO A 46 43.767 -53.903 -57.464 1.00 13.34 H new ATOM 0 HD3 PRO A 46 44.057 -53.062 -55.953 1.00 13.34 H new ATOM 667 N THR A 47 45.867 -50.604 -60.163 1.00 50.35 N ATOM 668 CA THR A 47 46.195 -50.570 -61.583 1.00 72.31 C ATOM 669 C THR A 47 45.917 -49.195 -62.179 1.00 73.35 C ATOM 670 O THR A 47 45.362 -48.320 -61.514 1.00 43.44 O ATOM 671 CB THR A 47 45.398 -51.629 -62.369 1.00 12.22 C ATOM 672 OG1 THR A 47 45.719 -51.550 -63.762 1.00 2.31 O ATOM 673 CG2 THR A 47 43.902 -51.432 -62.176 1.00 74.44 C ATOM 0 H THR A 47 45.276 -49.834 -59.848 1.00 50.35 H new ATOM 0 HA THR A 47 47.259 -50.790 -61.667 1.00 72.31 H new ATOM 0 HB THR A 47 45.671 -52.614 -61.990 1.00 12.22 H new ATOM 0 HG1 THR A 47 44.950 -51.195 -64.255 1.00 2.31 H new ATOM 0 HG21 THR A 47 43.359 -52.191 -62.740 1.00 74.44 H new ATOM 0 HG22 THR A 47 43.657 -51.522 -61.118 1.00 74.44 H new ATOM 0 HG23 THR A 47 43.616 -50.442 -62.532 1.00 74.44 H new ATOM 681 N HIS A 48 46.304 -49.012 -63.438 1.00 4.54 N ATOM 682 CA HIS A 48 46.095 -47.742 -64.124 1.00 42.24 C ATOM 683 C HIS A 48 45.413 -47.959 -65.472 1.00 13.24 C ATOM 684 O HIS A 48 45.894 -48.725 -66.307 1.00 30.05 O ATOM 685 CB HIS A 48 47.428 -47.021 -64.325 1.00 44.32 C ATOM 686 CG HIS A 48 47.326 -45.802 -65.190 1.00 12.14 C ATOM 687 ND1 HIS A 48 46.606 -44.682 -64.830 1.00 32.43 N ATOM 688 CD2 HIS A 48 47.859 -45.530 -66.404 1.00 21.23 C ATOM 689 CE1 HIS A 48 46.699 -43.775 -65.786 1.00 21.53 C ATOM 690 NE2 HIS A 48 47.455 -44.265 -66.752 1.00 73.02 N ATOM 0 H HIS A 48 46.763 -49.726 -64.003 1.00 4.54 H new ATOM 0 HA HIS A 48 45.446 -47.124 -63.503 1.00 42.24 H new ATOM 0 HB2 HIS A 48 47.826 -46.734 -63.352 1.00 44.32 H new ATOM 0 HB3 HIS A 48 48.143 -47.713 -64.770 1.00 44.32 H new ATOM 0 HD2 HIS A 48 48.486 -46.186 -66.990 1.00 21.23 H new ATOM 0 HE1 HIS A 48 46.236 -42.799 -65.779 1.00 21.53 H new ATOM 0 HE2 HIS A 48 47.699 -43.782 -67.616 1.00 73.02 H new ATOM 698 N PHE A 49 44.289 -47.280 -65.676 1.00 73.01 N ATOM 699 CA PHE A 49 43.539 -47.400 -66.921 1.00 70.01 C ATOM 700 C PHE A 49 43.503 -46.068 -67.665 1.00 31.12 C ATOM 701 O PHE A 49 42.998 -45.070 -67.151 1.00 12.13 O ATOM 702 CB PHE A 49 42.113 -47.878 -66.639 1.00 2.04 C ATOM 703 CG PHE A 49 42.006 -49.364 -66.447 1.00 10.24 C ATOM 704 CD1 PHE A 49 42.797 -50.014 -65.513 1.00 13.34 C ATOM 705 CD2 PHE A 49 41.114 -50.110 -67.200 1.00 23.44 C ATOM 706 CE1 PHE A 49 42.700 -51.381 -65.335 1.00 5.13 C ATOM 707 CE2 PHE A 49 41.013 -51.478 -67.026 1.00 4.03 C ATOM 708 CZ PHE A 49 41.807 -52.114 -66.091 1.00 51.32 C ATOM 0 H PHE A 49 43.878 -46.641 -64.996 1.00 73.01 H new ATOM 0 HA PHE A 49 44.043 -48.134 -67.550 1.00 70.01 H new ATOM 0 HB2 PHE A 49 41.740 -47.376 -65.746 1.00 2.04 H new ATOM 0 HB3 PHE A 49 41.468 -47.579 -67.465 1.00 2.04 H new ATOM 0 HD1 PHE A 49 43.497 -49.446 -64.918 1.00 13.34 H new ATOM 0 HD2 PHE A 49 40.490 -49.617 -67.931 1.00 23.44 H new ATOM 0 HE1 PHE A 49 43.323 -51.876 -64.605 1.00 5.13 H new ATOM 0 HE2 PHE A 49 40.314 -52.049 -67.620 1.00 4.03 H new ATOM 0 HZ PHE A 49 41.729 -53.182 -65.952 1.00 51.32 H new ATOM 718 N LYS A 50 44.043 -46.060 -68.879 1.00 22.43 N ATOM 719 CA LYS A 50 44.073 -44.853 -69.696 1.00 5.04 C ATOM 720 C LYS A 50 43.058 -44.938 -70.831 1.00 22.53 C ATOM 721 O LYS A 50 43.168 -45.792 -71.712 1.00 54.12 O ATOM 722 CB LYS A 50 45.476 -44.634 -70.267 1.00 62.20 C ATOM 723 CG LYS A 50 45.584 -43.414 -71.165 1.00 54.10 C ATOM 724 CD LYS A 50 46.150 -43.773 -72.528 1.00 64.04 C ATOM 725 CE LYS A 50 46.716 -42.551 -73.236 1.00 62.41 C ATOM 726 NZ LYS A 50 48.205 -42.531 -73.204 1.00 32.45 N ATOM 0 H LYS A 50 44.466 -46.877 -69.319 1.00 22.43 H new ATOM 0 HA LYS A 50 43.810 -44.008 -69.060 1.00 5.04 H new ATOM 0 HB2 LYS A 50 46.182 -44.532 -69.443 1.00 62.20 H new ATOM 0 HB3 LYS A 50 45.771 -45.518 -70.832 1.00 62.20 H new ATOM 0 HG2 LYS A 50 44.599 -42.962 -71.286 1.00 54.10 H new ATOM 0 HG3 LYS A 50 46.221 -42.667 -70.691 1.00 54.10 H new ATOM 0 HD2 LYS A 50 46.933 -44.523 -72.412 1.00 64.04 H new ATOM 0 HD3 LYS A 50 45.368 -44.221 -73.141 1.00 64.04 H new ATOM 0 HE2 LYS A 50 46.375 -42.541 -74.271 1.00 62.41 H new ATOM 0 HE3 LYS A 50 46.330 -41.647 -72.764 1.00 62.41 H new ATOM 0 HZ1 LYS A 50 48.551 -41.683 -73.697 1.00 32.45 H new ATOM 0 HZ2 LYS A 50 48.531 -42.515 -72.216 1.00 32.45 H new ATOM 0 HZ3 LYS A 50 48.574 -43.381 -73.677 1.00 32.45 H new ATOM 740 N LEU A 51 42.072 -44.049 -70.804 1.00 40.14 N ATOM 741 CA LEU A 51 41.038 -44.023 -71.833 1.00 15.24 C ATOM 742 C LEU A 51 40.918 -42.633 -72.450 1.00 1.13 C ATOM 743 O LEU A 51 40.660 -41.653 -71.750 1.00 52.14 O ATOM 744 CB LEU A 51 39.692 -44.448 -71.242 1.00 23.15 C ATOM 745 CG LEU A 51 38.455 -44.094 -72.067 1.00 34.13 C ATOM 746 CD1 LEU A 51 37.360 -45.130 -71.859 1.00 4.53 C ATOM 747 CD2 LEU A 51 37.952 -42.704 -71.705 1.00 31.14 C ATOM 0 H LEU A 51 41.966 -43.337 -70.081 1.00 40.14 H new ATOM 0 HA LEU A 51 41.323 -44.725 -72.617 1.00 15.24 H new ATOM 0 HB2 LEU A 51 39.708 -45.528 -71.093 1.00 23.15 H new ATOM 0 HB3 LEU A 51 39.590 -43.992 -70.257 1.00 23.15 H new ATOM 0 HG LEU A 51 38.733 -44.095 -73.121 1.00 34.13 H new ATOM 0 HD11 LEU A 51 36.487 -44.861 -72.454 1.00 4.53 H new ATOM 0 HD12 LEU A 51 37.723 -46.110 -72.169 1.00 4.53 H new ATOM 0 HD13 LEU A 51 37.085 -45.162 -70.805 1.00 4.53 H new ATOM 0 HD21 LEU A 51 37.071 -42.469 -72.302 1.00 31.14 H new ATOM 0 HD22 LEU A 51 37.691 -42.675 -70.647 1.00 31.14 H new ATOM 0 HD23 LEU A 51 38.733 -41.971 -71.906 1.00 31.14 H new ATOM 759 N ILE A 52 41.106 -42.556 -73.763 1.00 32.21 N ATOM 760 CA ILE A 52 41.016 -41.287 -74.474 1.00 73.10 C ATOM 761 C ILE A 52 40.039 -41.379 -75.641 1.00 72.23 C ATOM 762 O ILE A 52 40.261 -42.127 -76.592 1.00 70.51 O ATOM 763 CB ILE A 52 42.391 -40.840 -75.004 1.00 52.02 C ATOM 764 CG1 ILE A 52 43.037 -41.962 -75.820 1.00 12.14 C ATOM 765 CG2 ILE A 52 43.294 -40.428 -73.852 1.00 3.24 C ATOM 766 CD1 ILE A 52 43.433 -41.542 -77.218 1.00 3.44 C ATOM 0 H ILE A 52 41.322 -43.357 -74.356 1.00 32.21 H new ATOM 0 HA ILE A 52 40.654 -40.549 -73.758 1.00 73.10 H new ATOM 0 HB ILE A 52 42.250 -39.978 -75.656 1.00 52.02 H new ATOM 0 HG12 ILE A 52 43.921 -42.321 -75.293 1.00 12.14 H new ATOM 0 HG13 ILE A 52 42.343 -42.800 -75.884 1.00 12.14 H new ATOM 0 HG21 ILE A 52 44.262 -40.115 -74.243 1.00 3.24 H new ATOM 0 HG22 ILE A 52 42.837 -39.601 -73.309 1.00 3.24 H new ATOM 0 HG23 ILE A 52 43.431 -41.273 -73.177 1.00 3.24 H new ATOM 0 HD11 ILE A 52 43.884 -42.387 -77.738 1.00 3.44 H new ATOM 0 HD12 ILE A 52 42.549 -41.211 -77.763 1.00 3.44 H new ATOM 0 HD13 ILE A 52 44.152 -40.725 -77.162 1.00 3.44 H new ATOM 778 N ASN A 53 38.957 -40.611 -75.562 1.00 71.24 N ATOM 779 CA ASN A 53 37.946 -40.605 -76.613 1.00 53.03 C ATOM 780 C ASN A 53 37.966 -39.286 -77.380 1.00 11.12 C ATOM 781 O ASN A 53 37.912 -38.209 -76.785 1.00 23.53 O ATOM 782 CB ASN A 53 36.557 -40.839 -76.015 1.00 41.01 C ATOM 783 CG ASN A 53 35.699 -39.589 -76.040 1.00 12.13 C ATOM 784 OD1 ASN A 53 35.638 -38.845 -75.061 1.00 34.24 O ATOM 785 ND2 ASN A 53 35.030 -39.352 -77.163 1.00 24.45 N ATOM 0 H ASN A 53 38.758 -39.985 -74.782 1.00 71.24 H new ATOM 0 HA ASN A 53 38.176 -41.413 -77.308 1.00 53.03 H new ATOM 0 HB2 ASN A 53 36.055 -41.632 -76.569 1.00 41.01 H new ATOM 0 HB3 ASN A 53 36.661 -41.185 -74.987 1.00 41.01 H new ATOM 0 HD21 ASN A 53 34.436 -38.526 -77.238 1.00 24.45 H new ATOM 0 HD22 ASN A 53 35.110 -39.996 -77.950 1.00 24.45 H new ATOM 792 N ASP A 54 38.043 -39.378 -78.703 1.00 31.03 N ATOM 793 CA ASP A 54 38.068 -38.192 -79.552 1.00 23.55 C ATOM 794 C ASP A 54 36.766 -38.057 -80.335 1.00 4.00 C ATOM 795 O ASP A 54 36.118 -37.011 -80.304 1.00 71.24 O ATOM 796 CB ASP A 54 39.254 -38.255 -80.516 1.00 1.34 C ATOM 797 CG ASP A 54 40.437 -37.440 -80.032 1.00 2.35 C ATOM 798 OD1 ASP A 54 40.559 -37.242 -78.805 1.00 14.23 O ATOM 799 OD2 ASP A 54 41.241 -36.999 -80.880 1.00 3.14 O ATOM 0 H ASP A 54 38.089 -40.261 -79.211 1.00 31.03 H new ATOM 0 HA ASP A 54 38.177 -37.317 -78.911 1.00 23.55 H new ATOM 0 HB2 ASP A 54 39.560 -39.293 -80.644 1.00 1.34 H new ATOM 0 HB3 ASP A 54 38.942 -37.892 -81.495 1.00 1.34 H new ATOM 804 N SER A 55 36.391 -39.121 -81.037 1.00 74.30 N ATOM 805 CA SER A 55 35.169 -39.120 -81.833 1.00 13.42 C ATOM 806 C SER A 55 35.243 -38.073 -82.941 1.00 23.24 C ATOM 807 O SER A 55 36.051 -37.146 -82.881 1.00 10.51 O ATOM 808 CB SER A 55 33.955 -38.849 -80.941 1.00 71.55 C ATOM 809 OG SER A 55 33.006 -38.034 -81.606 1.00 54.11 O ATOM 0 H SER A 55 36.916 -39.995 -81.071 1.00 74.30 H new ATOM 0 HA SER A 55 35.063 -40.103 -82.292 1.00 13.42 H new ATOM 0 HB2 SER A 55 33.492 -39.793 -80.655 1.00 71.55 H new ATOM 0 HB3 SER A 55 34.277 -38.361 -80.021 1.00 71.55 H new ATOM 0 HG SER A 55 32.239 -37.877 -81.016 1.00 54.11 H new ATOM 815 N HIS A 56 34.395 -38.230 -83.952 1.00 13.42 N ATOM 816 CA HIS A 56 34.363 -37.299 -85.074 1.00 40.42 C ATOM 817 C HIS A 56 32.960 -36.733 -85.272 1.00 33.33 C ATOM 818 O HIS A 56 32.139 -37.314 -85.983 1.00 3.13 O ATOM 819 CB HIS A 56 34.830 -37.993 -86.354 1.00 25.14 C ATOM 820 CG HIS A 56 34.665 -37.156 -87.584 1.00 50.23 C ATOM 821 ND1 HIS A 56 34.952 -35.808 -87.622 1.00 13.45 N ATOM 822 CD2 HIS A 56 34.241 -37.483 -88.827 1.00 60.24 C ATOM 823 CE1 HIS A 56 34.710 -35.341 -88.834 1.00 34.53 C ATOM 824 NE2 HIS A 56 34.278 -36.338 -89.585 1.00 33.42 N ATOM 0 H HIS A 56 33.721 -38.993 -84.017 1.00 13.42 H new ATOM 0 HA HIS A 56 35.040 -36.475 -84.848 1.00 40.42 H new ATOM 0 HB2 HIS A 56 35.880 -38.265 -86.248 1.00 25.14 H new ATOM 0 HB3 HIS A 56 34.272 -38.921 -86.479 1.00 25.14 H new ATOM 0 HD2 HIS A 56 33.931 -38.462 -89.161 1.00 60.24 H new ATOM 0 HE1 HIS A 56 34.843 -34.319 -89.156 1.00 34.53 H new ATOM 0 HE2 HIS A 56 34.015 -36.269 -90.568 1.00 33.42 H new ATOM 1069 N THR A 75 41.237 -43.884 -86.436 1.00 42.23 N ATOM 1070 CA THR A 75 41.004 -44.155 -85.023 1.00 51.54 C ATOM 1071 C THR A 75 40.850 -42.860 -84.234 1.00 14.23 C ATOM 1072 O THR A 75 40.979 -41.766 -84.784 1.00 50.22 O ATOM 1073 CB THR A 75 42.151 -44.981 -84.413 1.00 22.31 C ATOM 1074 OG1 THR A 75 43.162 -44.109 -83.895 1.00 32.11 O ATOM 1075 CG2 THR A 75 42.760 -45.911 -85.452 1.00 23.15 C ATOM 0 HA THR A 75 40.080 -44.729 -84.959 1.00 51.54 H new ATOM 0 HB THR A 75 41.743 -45.585 -83.602 1.00 22.31 H new ATOM 0 HG1 THR A 75 43.887 -44.643 -83.508 1.00 32.11 H new ATOM 0 HG21 THR A 75 43.568 -46.484 -84.998 1.00 23.15 H new ATOM 0 HG22 THR A 75 41.995 -46.593 -85.823 1.00 23.15 H new ATOM 0 HG23 THR A 75 43.154 -45.323 -86.281 1.00 23.15 H new ATOM 1083 N HIS A 76 40.573 -42.990 -82.940 1.00 60.41 N ATOM 1084 CA HIS A 76 40.402 -41.829 -82.074 1.00 24.43 C ATOM 1085 C HIS A 76 40.227 -42.258 -80.620 1.00 13.41 C ATOM 1086 O HIS A 76 40.635 -41.549 -79.700 1.00 14.43 O ATOM 1087 CB HIS A 76 39.197 -41.004 -82.524 1.00 11.43 C ATOM 1088 CG HIS A 76 39.568 -39.764 -83.277 1.00 51.42 C ATOM 1089 ND1 HIS A 76 40.755 -39.090 -83.080 1.00 60.24 N ATOM 1090 CD2 HIS A 76 38.901 -39.076 -84.234 1.00 23.21 C ATOM 1091 CE1 HIS A 76 40.802 -38.041 -83.882 1.00 73.21 C ATOM 1092 NE2 HIS A 76 39.689 -38.010 -84.593 1.00 60.30 N ATOM 0 H HIS A 76 40.462 -43.888 -82.468 1.00 60.41 H new ATOM 0 HA HIS A 76 41.300 -41.215 -82.148 1.00 24.43 H new ATOM 0 HB2 HIS A 76 38.557 -41.623 -83.153 1.00 11.43 H new ATOM 0 HB3 HIS A 76 38.610 -40.726 -81.649 1.00 11.43 H new ATOM 0 HD2 HIS A 76 37.930 -39.320 -84.639 1.00 23.21 H new ATOM 0 HE1 HIS A 76 41.612 -37.330 -83.945 1.00 73.21 H new ATOM 0 HE2 HIS A 76 39.453 -37.308 -85.295 1.00 60.30 H new ATOM 1100 N PHE A 77 39.616 -43.421 -80.420 1.00 64.14 N ATOM 1101 CA PHE A 77 39.385 -43.943 -79.078 1.00 50.25 C ATOM 1102 C PHE A 77 40.291 -45.137 -78.796 1.00 22.44 C ATOM 1103 O PHE A 77 40.459 -46.017 -79.641 1.00 15.14 O ATOM 1104 CB PHE A 77 37.919 -44.349 -78.912 1.00 63.42 C ATOM 1105 CG PHE A 77 37.638 -45.064 -77.621 1.00 41.50 C ATOM 1106 CD1 PHE A 77 37.775 -46.439 -77.531 1.00 75.52 C ATOM 1107 CD2 PHE A 77 37.238 -44.359 -76.497 1.00 41.12 C ATOM 1108 CE1 PHE A 77 37.516 -47.099 -76.345 1.00 14.05 C ATOM 1109 CE2 PHE A 77 36.978 -45.013 -75.308 1.00 1.05 C ATOM 1110 CZ PHE A 77 37.118 -46.385 -75.231 1.00 42.20 C ATOM 0 H PHE A 77 39.272 -44.020 -81.170 1.00 64.14 H new ATOM 0 HA PHE A 77 39.620 -43.155 -78.362 1.00 50.25 H new ATOM 0 HB2 PHE A 77 37.295 -43.457 -78.968 1.00 63.42 H new ATOM 0 HB3 PHE A 77 37.632 -44.992 -79.744 1.00 63.42 H new ATOM 0 HD1 PHE A 77 38.088 -47.002 -78.398 1.00 75.52 H new ATOM 0 HD2 PHE A 77 37.128 -43.286 -76.551 1.00 41.12 H new ATOM 0 HE1 PHE A 77 37.625 -48.172 -76.289 1.00 14.05 H new ATOM 0 HE2 PHE A 77 36.666 -44.452 -74.440 1.00 1.05 H new ATOM 0 HZ PHE A 77 36.917 -46.898 -74.302 1.00 42.20 H new ATOM 1120 N ARG A 78 40.874 -45.161 -77.601 1.00 51.34 N ATOM 1121 CA ARG A 78 41.765 -46.245 -77.207 1.00 35.41 C ATOM 1122 C ARG A 78 41.671 -46.507 -75.707 1.00 21.34 C ATOM 1123 O ARG A 78 41.600 -45.574 -74.906 1.00 2.02 O ATOM 1124 CB ARG A 78 43.208 -45.913 -77.589 1.00 1.25 C ATOM 1125 CG ARG A 78 43.969 -45.167 -76.504 1.00 35.52 C ATOM 1126 CD ARG A 78 45.094 -44.329 -77.089 1.00 25.14 C ATOM 1127 NE ARG A 78 46.261 -45.140 -77.429 1.00 13.24 N ATOM 1128 CZ ARG A 78 47.401 -44.633 -77.885 1.00 15.43 C ATOM 1129 NH1 ARG A 78 47.527 -43.324 -78.054 1.00 52.32 N ATOM 1130 NH2 ARG A 78 48.417 -45.435 -78.172 1.00 24.31 N ATOM 0 H ARG A 78 40.745 -44.442 -76.889 1.00 51.34 H new ATOM 0 HA ARG A 78 41.456 -47.146 -77.736 1.00 35.41 H new ATOM 0 HB2 ARG A 78 43.736 -46.838 -77.821 1.00 1.25 H new ATOM 0 HB3 ARG A 78 43.205 -45.312 -78.498 1.00 1.25 H new ATOM 0 HG2 ARG A 78 43.283 -44.523 -75.954 1.00 35.52 H new ATOM 0 HG3 ARG A 78 44.379 -45.881 -75.789 1.00 35.52 H new ATOM 0 HD2 ARG A 78 44.737 -43.815 -77.982 1.00 25.14 H new ATOM 0 HD3 ARG A 78 45.383 -43.560 -76.373 1.00 25.14 H new ATOM 0 HE ARG A 78 46.197 -46.151 -77.310 1.00 13.24 H new ATOM 0 HH11 ARG A 78 46.748 -42.704 -77.834 1.00 52.32 H new ATOM 0 HH12 ARG A 78 48.403 -42.937 -78.404 1.00 52.32 H new ATOM 0 HH21 ARG A 78 48.324 -46.442 -78.043 1.00 24.31 H new ATOM 0 HH22 ARG A 78 49.292 -45.045 -78.522 1.00 24.31 H new ATOM 1144 N LEU A 79 41.671 -47.782 -75.333 1.00 0.03 N ATOM 1145 CA LEU A 79 41.586 -48.167 -73.928 1.00 72.43 C ATOM 1146 C LEU A 79 42.790 -49.010 -73.521 1.00 4.22 C ATOM 1147 O LEU A 79 42.988 -50.113 -74.028 1.00 72.23 O ATOM 1148 CB LEU A 79 40.294 -48.945 -73.670 1.00 63.30 C ATOM 1149 CG LEU A 79 39.438 -48.455 -72.502 1.00 32.31 C ATOM 1150 CD1 LEU A 79 38.304 -49.430 -72.225 1.00 60.44 C ATOM 1151 CD2 LEU A 79 40.293 -48.262 -71.258 1.00 12.00 C ATOM 0 H LEU A 79 41.729 -48.566 -75.982 1.00 0.03 H new ATOM 0 HA LEU A 79 41.582 -47.258 -73.327 1.00 72.43 H new ATOM 0 HB2 LEU A 79 39.688 -48.915 -74.576 1.00 63.30 H new ATOM 0 HB3 LEU A 79 40.551 -49.989 -73.493 1.00 63.30 H new ATOM 0 HG LEU A 79 39.004 -47.493 -72.774 1.00 32.31 H new ATOM 0 HD11 LEU A 79 37.706 -49.064 -71.390 1.00 60.44 H new ATOM 0 HD12 LEU A 79 37.675 -49.518 -73.111 1.00 60.44 H new ATOM 0 HD13 LEU A 79 38.717 -50.407 -71.975 1.00 60.44 H new ATOM 0 HD21 LEU A 79 39.667 -47.913 -70.437 1.00 12.00 H new ATOM 0 HD22 LEU A 79 40.756 -49.210 -70.984 1.00 12.00 H new ATOM 0 HD23 LEU A 79 41.070 -47.525 -71.461 1.00 12.00 H new ATOM 1163 N GLU A 80 43.591 -48.482 -72.600 1.00 50.00 N ATOM 1164 CA GLU A 80 44.775 -49.187 -72.124 1.00 3.12 C ATOM 1165 C GLU A 80 44.725 -49.375 -70.610 1.00 54.12 C ATOM 1166 O GLU A 80 44.146 -48.560 -69.891 1.00 74.42 O ATOM 1167 CB GLU A 80 46.042 -48.421 -72.511 1.00 61.35 C ATOM 1168 CG GLU A 80 46.634 -48.858 -73.841 1.00 40.31 C ATOM 1169 CD GLU A 80 47.924 -48.132 -74.172 1.00 31.13 C ATOM 1170 OE1 GLU A 80 47.852 -46.982 -74.652 1.00 51.11 O ATOM 1171 OE2 GLU A 80 49.006 -48.715 -73.949 1.00 74.43 O ATOM 0 H GLU A 80 43.441 -47.570 -72.169 1.00 50.00 H new ATOM 0 HA GLU A 80 44.794 -50.170 -72.595 1.00 3.12 H new ATOM 0 HB2 GLU A 80 45.813 -47.356 -72.557 1.00 61.35 H new ATOM 0 HB3 GLU A 80 46.790 -48.553 -71.729 1.00 61.35 H new ATOM 0 HG2 GLU A 80 46.822 -49.931 -73.816 1.00 40.31 H new ATOM 0 HG3 GLU A 80 45.908 -48.680 -74.634 1.00 40.31 H new ATOM 1178 N VAL A 81 45.335 -50.455 -70.133 1.00 72.22 N ATOM 1179 CA VAL A 81 45.360 -50.751 -68.706 1.00 24.22 C ATOM 1180 C VAL A 81 46.687 -51.383 -68.299 1.00 41.42 C ATOM 1181 O VAL A 81 47.117 -52.381 -68.879 1.00 53.40 O ATOM 1182 CB VAL A 81 44.211 -51.696 -68.308 1.00 22.41 C ATOM 1183 CG1 VAL A 81 43.557 -52.292 -69.545 1.00 63.51 C ATOM 1184 CG2 VAL A 81 44.719 -52.792 -67.383 1.00 2.02 C ATOM 0 H VAL A 81 45.819 -51.140 -70.714 1.00 72.22 H new ATOM 0 HA VAL A 81 45.237 -49.802 -68.184 1.00 24.22 H new ATOM 0 HB VAL A 81 43.458 -51.119 -67.771 1.00 22.41 H new ATOM 0 HG11 VAL A 81 42.748 -52.957 -69.244 1.00 63.51 H new ATOM 0 HG12 VAL A 81 43.157 -51.491 -70.167 1.00 63.51 H new ATOM 0 HG13 VAL A 81 44.298 -52.856 -70.112 1.00 63.51 H new ATOM 0 HG21 VAL A 81 43.894 -53.451 -67.112 1.00 2.02 H new ATOM 0 HG22 VAL A 81 45.491 -53.369 -67.892 1.00 2.02 H new ATOM 0 HG23 VAL A 81 45.136 -52.343 -66.482 1.00 2.02 H new ATOM 1194 N THR A 82 47.334 -50.795 -67.297 1.00 53.22 N ATOM 1195 CA THR A 82 48.612 -51.299 -66.812 1.00 43.15 C ATOM 1196 C THR A 82 48.526 -51.695 -65.343 1.00 11.51 C ATOM 1197 O THR A 82 48.258 -50.859 -64.480 1.00 2.41 O ATOM 1198 CB THR A 82 49.730 -50.254 -66.986 1.00 45.31 C ATOM 1199 OG1 THR A 82 49.824 -49.860 -68.360 1.00 13.44 O ATOM 1200 CG2 THR A 82 51.068 -50.810 -66.521 1.00 11.31 C ATOM 0 H THR A 82 46.993 -49.969 -66.806 1.00 53.22 H new ATOM 0 HA THR A 82 48.851 -52.179 -67.409 1.00 43.15 H new ATOM 0 HB THR A 82 49.483 -49.386 -66.375 1.00 45.31 H new ATOM 0 HG1 THR A 82 50.536 -49.194 -68.461 1.00 13.44 H new ATOM 0 HG21 THR A 82 51.842 -50.054 -66.654 1.00 11.31 H new ATOM 0 HG22 THR A 82 51.003 -51.082 -65.467 1.00 11.31 H new ATOM 0 HG23 THR A 82 51.319 -51.693 -67.108 1.00 11.31 H new ATOM 1208 N SER A 83 48.755 -52.974 -65.065 1.00 10.12 N ATOM 1209 CA SER A 83 48.700 -53.481 -63.699 1.00 32.03 C ATOM 1210 C SER A 83 50.028 -54.118 -63.302 1.00 20.23 C ATOM 1211 O SER A 83 50.378 -55.198 -63.778 1.00 42.15 O ATOM 1212 CB SER A 83 47.569 -54.501 -63.556 1.00 71.52 C ATOM 1213 OG SER A 83 46.787 -54.564 -64.737 1.00 22.55 O ATOM 0 H SER A 83 48.980 -53.678 -65.768 1.00 10.12 H new ATOM 0 HA SER A 83 48.507 -52.640 -63.033 1.00 32.03 H new ATOM 0 HB2 SER A 83 47.987 -55.484 -63.340 1.00 71.52 H new ATOM 0 HB3 SER A 83 46.936 -54.231 -62.711 1.00 71.52 H new ATOM 0 HG SER A 83 46.254 -53.746 -64.820 1.00 22.55 H new ATOM 1219 N ASP A 84 50.763 -53.442 -62.426 1.00 10.30 N ATOM 1220 CA ASP A 84 52.053 -53.941 -61.963 1.00 14.21 C ATOM 1221 C ASP A 84 53.088 -53.893 -63.083 1.00 14.15 C ATOM 1222 O ASP A 84 54.208 -54.379 -62.927 1.00 15.30 O ATOM 1223 CB ASP A 84 51.912 -55.372 -61.442 1.00 4.01 C ATOM 1224 CG ASP A 84 52.369 -55.512 -60.003 1.00 43.31 C ATOM 1225 OD1 ASP A 84 53.330 -54.815 -59.616 1.00 65.10 O ATOM 1226 OD2 ASP A 84 51.766 -56.318 -59.264 1.00 63.44 O ATOM 0 H ASP A 84 50.488 -52.547 -62.022 1.00 10.30 H new ATOM 0 HA ASP A 84 52.394 -53.299 -61.151 1.00 14.21 H new ATOM 0 HB2 ASP A 84 50.870 -55.683 -61.521 1.00 4.01 H new ATOM 0 HB3 ASP A 84 52.495 -56.044 -62.072 1.00 4.01 H new ATOM 1231 N ALA A 85 52.704 -53.305 -64.211 1.00 63.11 N ATOM 1232 CA ALA A 85 53.599 -53.193 -65.356 1.00 61.03 C ATOM 1233 C ALA A 85 54.313 -54.513 -65.626 1.00 64.00 C ATOM 1234 O ALA A 85 55.493 -54.669 -65.308 1.00 53.52 O ATOM 1235 CB ALA A 85 54.611 -52.080 -65.128 1.00 61.04 C ATOM 0 H ALA A 85 51.780 -52.899 -64.356 1.00 63.11 H new ATOM 0 HA ALA A 85 52.999 -52.949 -66.233 1.00 61.03 H new ATOM 0 HB1 ALA A 85 55.273 -52.008 -65.991 1.00 61.04 H new ATOM 0 HB2 ALA A 85 54.087 -51.134 -64.992 1.00 61.04 H new ATOM 0 HB3 ALA A 85 55.199 -52.300 -64.237 1.00 61.04 H new ATOM 1241 N PHE A 86 53.592 -55.462 -66.213 1.00 54.23 N ATOM 1242 CA PHE A 86 54.156 -56.770 -66.524 1.00 44.22 C ATOM 1243 C PHE A 86 53.116 -57.668 -67.186 1.00 73.04 C ATOM 1244 O PHE A 86 52.375 -58.382 -66.511 1.00 34.22 O ATOM 1245 CB PHE A 86 54.686 -57.436 -65.252 1.00 40.55 C ATOM 1246 CG PHE A 86 56.184 -57.527 -65.203 1.00 64.12 C ATOM 1247 CD1 PHE A 86 56.890 -58.124 -66.236 1.00 35.34 C ATOM 1248 CD2 PHE A 86 56.888 -57.016 -64.124 1.00 72.52 C ATOM 1249 CE1 PHE A 86 58.268 -58.210 -66.194 1.00 5.03 C ATOM 1250 CE2 PHE A 86 58.267 -57.099 -64.077 1.00 14.21 C ATOM 1251 CZ PHE A 86 58.958 -57.697 -65.112 1.00 73.32 C ATOM 0 H PHE A 86 52.615 -55.350 -66.483 1.00 54.23 H new ATOM 0 HA PHE A 86 54.981 -56.625 -67.221 1.00 44.22 H new ATOM 0 HB2 PHE A 86 54.335 -56.876 -64.385 1.00 40.55 H new ATOM 0 HB3 PHE A 86 54.266 -58.439 -65.175 1.00 40.55 H new ATOM 0 HD1 PHE A 86 56.356 -58.527 -67.084 1.00 35.34 H new ATOM 0 HD2 PHE A 86 56.353 -56.548 -63.311 1.00 72.52 H new ATOM 0 HE1 PHE A 86 58.806 -58.678 -67.006 1.00 5.03 H new ATOM 0 HE2 PHE A 86 58.804 -56.696 -63.231 1.00 14.21 H new ATOM 0 HZ PHE A 86 60.035 -57.764 -65.076 1.00 73.32 H new ATOM 1261 N LYS A 87 53.066 -57.626 -68.514 1.00 33.44 N ATOM 1262 CA LYS A 87 52.117 -58.436 -69.270 1.00 5.23 C ATOM 1263 C LYS A 87 52.325 -59.921 -68.989 1.00 54.31 C ATOM 1264 O LYS A 87 53.457 -60.391 -68.886 1.00 52.13 O ATOM 1265 CB LYS A 87 52.265 -58.164 -70.768 1.00 53.35 C ATOM 1266 CG LYS A 87 51.066 -58.609 -71.588 1.00 52.21 C ATOM 1267 CD LYS A 87 50.754 -57.623 -72.701 1.00 44.25 C ATOM 1268 CE LYS A 87 49.721 -58.182 -73.668 1.00 4.40 C ATOM 1269 NZ LYS A 87 50.278 -59.287 -74.496 1.00 74.12 N ATOM 0 H LYS A 87 53.671 -57.040 -69.089 1.00 33.44 H new ATOM 0 HA LYS A 87 51.110 -58.162 -68.955 1.00 5.23 H new ATOM 0 HB2 LYS A 87 52.423 -57.096 -70.921 1.00 53.35 H new ATOM 0 HB3 LYS A 87 53.155 -58.674 -71.135 1.00 53.35 H new ATOM 0 HG2 LYS A 87 51.262 -59.592 -72.016 1.00 52.21 H new ATOM 0 HG3 LYS A 87 50.197 -58.712 -70.938 1.00 52.21 H new ATOM 0 HD2 LYS A 87 50.385 -56.692 -72.271 1.00 44.25 H new ATOM 0 HD3 LYS A 87 51.669 -57.383 -73.243 1.00 44.25 H new ATOM 0 HE2 LYS A 87 48.859 -58.546 -73.109 1.00 4.40 H new ATOM 0 HE3 LYS A 87 49.364 -57.384 -74.319 1.00 4.40 H new ATOM 0 HZ1 LYS A 87 49.646 -59.469 -75.302 1.00 74.12 H new ATOM 0 HZ2 LYS A 87 51.219 -59.017 -74.848 1.00 74.12 H new ATOM 0 HZ3 LYS A 87 50.359 -60.148 -73.918 1.00 74.12 H new ATOM 1283 N GLY A 88 51.223 -60.655 -68.868 1.00 13.04 N ATOM 1284 CA GLY A 88 51.306 -62.079 -68.602 1.00 31.25 C ATOM 1285 C GLY A 88 50.080 -62.831 -69.081 1.00 21.13 C ATOM 1286 O GLY A 88 50.135 -63.552 -70.078 1.00 51.42 O ATOM 0 H GLY A 88 50.274 -60.289 -68.949 1.00 13.04 H new ATOM 0 HA2 GLY A 88 52.192 -62.486 -69.090 1.00 31.25 H new ATOM 0 HA3 GLY A 88 51.431 -62.239 -67.531 1.00 31.25 H new ATOM 1290 N LEU A 89 48.971 -62.666 -68.369 1.00 11.34 N ATOM 1291 CA LEU A 89 47.725 -63.336 -68.726 1.00 24.03 C ATOM 1292 C LEU A 89 47.069 -62.662 -69.927 1.00 24.52 C ATOM 1293 O LEU A 89 47.348 -61.502 -70.231 1.00 64.24 O ATOM 1294 CB LEU A 89 46.763 -63.334 -67.537 1.00 11.22 C ATOM 1295 CG LEU A 89 46.412 -61.962 -66.960 1.00 5.15 C ATOM 1296 CD1 LEU A 89 45.298 -61.312 -67.766 1.00 24.45 C ATOM 1297 CD2 LEU A 89 46.013 -62.085 -65.496 1.00 74.24 C ATOM 0 H LEU A 89 48.909 -62.074 -67.541 1.00 11.34 H new ATOM 0 HA LEU A 89 47.959 -64.366 -68.994 1.00 24.03 H new ATOM 0 HB2 LEU A 89 45.839 -63.825 -67.842 1.00 11.22 H new ATOM 0 HB3 LEU A 89 47.198 -63.940 -66.742 1.00 11.22 H new ATOM 0 HG LEU A 89 47.295 -61.326 -67.023 1.00 5.15 H new ATOM 0 HD11 LEU A 89 45.062 -60.337 -67.340 1.00 24.45 H new ATOM 0 HD12 LEU A 89 45.621 -61.188 -68.800 1.00 24.45 H new ATOM 0 HD13 LEU A 89 44.411 -61.945 -67.737 1.00 24.45 H new ATOM 0 HD21 LEU A 89 45.767 -61.099 -65.102 1.00 74.24 H new ATOM 0 HD22 LEU A 89 45.144 -62.738 -65.409 1.00 74.24 H new ATOM 0 HD23 LEU A 89 46.842 -62.506 -64.927 1.00 74.24 H new ATOM 1309 N THR A 90 46.194 -63.397 -70.606 1.00 32.12 N ATOM 1310 CA THR A 90 45.497 -62.871 -71.773 1.00 31.12 C ATOM 1311 C THR A 90 44.907 -61.495 -71.487 1.00 33.13 C ATOM 1312 O THR A 90 44.206 -61.303 -70.492 1.00 22.32 O ATOM 1313 CB THR A 90 44.369 -63.817 -72.227 1.00 40.30 C ATOM 1314 OG1 THR A 90 43.796 -63.343 -73.451 1.00 14.14 O ATOM 1315 CG2 THR A 90 43.288 -63.921 -71.161 1.00 43.05 C ATOM 0 H THR A 90 45.951 -64.359 -70.368 1.00 32.12 H new ATOM 0 HA THR A 90 46.235 -62.788 -72.571 1.00 31.12 H new ATOM 0 HB THR A 90 44.796 -64.807 -72.386 1.00 40.30 H new ATOM 0 HG1 THR A 90 43.466 -64.103 -73.974 1.00 14.14 H new ATOM 0 HG21 THR A 90 42.502 -64.594 -71.504 1.00 43.05 H new ATOM 0 HG22 THR A 90 43.722 -64.309 -70.240 1.00 43.05 H new ATOM 0 HG23 THR A 90 42.864 -62.934 -70.975 1.00 43.05 H new ATOM 1323 N LEU A 91 45.193 -60.540 -72.364 1.00 52.24 N ATOM 1324 CA LEU A 91 44.689 -59.180 -72.206 1.00 40.14 C ATOM 1325 C LEU A 91 43.191 -59.118 -72.488 1.00 42.11 C ATOM 1326 O LEU A 91 42.490 -58.239 -71.986 1.00 22.32 O ATOM 1327 CB LEU A 91 45.435 -58.227 -73.142 1.00 3.35 C ATOM 1328 CG LEU A 91 45.134 -58.377 -74.633 1.00 65.41 C ATOM 1329 CD1 LEU A 91 45.261 -57.037 -75.341 1.00 71.52 C ATOM 1330 CD2 LEU A 91 46.063 -59.405 -75.263 1.00 70.42 C ATOM 0 H LEU A 91 45.771 -60.682 -73.192 1.00 52.24 H new ATOM 0 HA LEU A 91 44.859 -58.874 -71.174 1.00 40.14 H new ATOM 0 HB2 LEU A 91 45.203 -57.204 -72.846 1.00 3.35 H new ATOM 0 HB3 LEU A 91 46.506 -58.367 -72.992 1.00 3.35 H new ATOM 0 HG LEU A 91 44.108 -58.727 -74.744 1.00 65.41 H new ATOM 0 HD11 LEU A 91 45.043 -57.164 -76.401 1.00 71.52 H new ATOM 0 HD12 LEU A 91 44.555 -56.328 -74.908 1.00 71.52 H new ATOM 0 HD13 LEU A 91 46.276 -56.657 -75.222 1.00 71.52 H new ATOM 0 HD21 LEU A 91 45.835 -59.499 -76.325 1.00 70.42 H new ATOM 0 HD22 LEU A 91 47.097 -59.084 -75.141 1.00 70.42 H new ATOM 0 HD23 LEU A 91 45.923 -60.369 -74.775 1.00 70.42 H new ATOM 1342 N VAL A 92 42.706 -60.058 -73.293 1.00 42.23 N ATOM 1343 CA VAL A 92 41.291 -60.112 -73.639 1.00 71.43 C ATOM 1344 C VAL A 92 40.423 -60.211 -72.390 1.00 21.03 C ATOM 1345 O VAL A 92 39.279 -59.757 -72.377 1.00 73.13 O ATOM 1346 CB VAL A 92 40.984 -61.308 -74.560 1.00 31.41 C ATOM 1347 CG1 VAL A 92 41.952 -61.342 -75.733 1.00 11.12 C ATOM 1348 CG2 VAL A 92 41.038 -62.611 -73.776 1.00 73.12 C ATOM 0 H VAL A 92 43.272 -60.792 -73.718 1.00 42.23 H new ATOM 0 HA VAL A 92 41.059 -59.187 -74.167 1.00 71.43 H new ATOM 0 HB VAL A 92 39.975 -61.190 -74.956 1.00 31.41 H new ATOM 0 HG11 VAL A 92 41.719 -62.194 -76.372 1.00 11.12 H new ATOM 0 HG12 VAL A 92 41.859 -60.421 -76.308 1.00 11.12 H new ATOM 0 HG13 VAL A 92 42.972 -61.436 -75.360 1.00 11.12 H new ATOM 0 HG21 VAL A 92 40.819 -63.446 -74.442 1.00 73.12 H new ATOM 0 HG22 VAL A 92 42.033 -62.738 -73.350 1.00 73.12 H new ATOM 0 HG23 VAL A 92 40.301 -62.584 -72.974 1.00 73.12 H new ATOM 1358 N LYS A 93 40.975 -60.807 -71.338 1.00 42.03 N ATOM 1359 CA LYS A 93 40.253 -60.965 -70.081 1.00 45.32 C ATOM 1360 C LYS A 93 40.047 -59.616 -69.400 1.00 12.24 C ATOM 1361 O LYS A 93 38.933 -59.275 -69.002 1.00 34.11 O ATOM 1362 CB LYS A 93 41.014 -61.909 -69.147 1.00 44.44 C ATOM 1363 CG LYS A 93 40.288 -62.191 -67.844 1.00 10.54 C ATOM 1364 CD LYS A 93 41.093 -61.721 -66.644 1.00 25.23 C ATOM 1365 CE LYS A 93 40.260 -61.738 -65.372 1.00 32.44 C ATOM 1366 NZ LYS A 93 40.393 -63.028 -64.639 1.00 14.01 N ATOM 0 H LYS A 93 41.921 -61.189 -71.331 1.00 42.03 H new ATOM 0 HA LYS A 93 39.276 -61.394 -70.303 1.00 45.32 H new ATOM 0 HB2 LYS A 93 41.194 -62.851 -69.664 1.00 44.44 H new ATOM 0 HB3 LYS A 93 41.989 -61.477 -68.924 1.00 44.44 H new ATOM 0 HG2 LYS A 93 39.319 -61.692 -67.851 1.00 10.54 H new ATOM 0 HG3 LYS A 93 40.095 -63.260 -67.758 1.00 10.54 H new ATOM 0 HD2 LYS A 93 41.966 -62.361 -66.517 1.00 25.23 H new ATOM 0 HD3 LYS A 93 41.462 -60.711 -66.825 1.00 25.23 H new ATOM 0 HE2 LYS A 93 40.570 -60.918 -64.724 1.00 32.44 H new ATOM 0 HE3 LYS A 93 39.213 -61.568 -65.621 1.00 32.44 H new ATOM 0 HZ1 LYS A 93 39.810 -63.000 -63.778 1.00 14.01 H new ATOM 0 HZ2 LYS A 93 40.073 -63.808 -65.248 1.00 14.01 H new ATOM 0 HZ3 LYS A 93 41.389 -63.178 -64.378 1.00 14.01 H new ATOM 1380 N ARG A 94 41.127 -58.852 -69.270 1.00 34.05 N ATOM 1381 CA ARG A 94 41.063 -57.540 -68.636 1.00 72.34 C ATOM 1382 C ARG A 94 40.153 -56.601 -69.423 1.00 3.33 C ATOM 1383 O ARG A 94 39.300 -55.922 -68.850 1.00 72.31 O ATOM 1384 CB ARG A 94 42.464 -56.936 -68.524 1.00 53.01 C ATOM 1385 CG ARG A 94 42.645 -56.039 -67.310 1.00 74.33 C ATOM 1386 CD ARG A 94 43.232 -56.805 -66.135 1.00 2.31 C ATOM 1387 NE ARG A 94 43.166 -56.037 -64.894 1.00 63.31 N ATOM 1388 CZ ARG A 94 43.233 -56.586 -63.686 1.00 64.02 C ATOM 1389 NH1 ARG A 94 43.368 -57.899 -63.557 1.00 41.34 N ATOM 1390 NH2 ARG A 94 43.166 -55.821 -62.604 1.00 63.10 N ATOM 0 H ARG A 94 42.056 -59.119 -69.595 1.00 34.05 H new ATOM 0 HA ARG A 94 40.649 -57.666 -67.636 1.00 72.34 H new ATOM 0 HB2 ARG A 94 43.196 -57.743 -68.482 1.00 53.01 H new ATOM 0 HB3 ARG A 94 42.676 -56.361 -69.425 1.00 53.01 H new ATOM 0 HG2 ARG A 94 43.299 -55.206 -67.566 1.00 74.33 H new ATOM 0 HG3 ARG A 94 41.683 -55.613 -67.024 1.00 74.33 H new ATOM 0 HD2 ARG A 94 42.694 -57.744 -66.009 1.00 2.31 H new ATOM 0 HD3 ARG A 94 44.270 -57.059 -66.350 1.00 2.31 H new ATOM 0 HE ARG A 94 43.063 -55.024 -64.958 1.00 63.31 H new ATOM 0 HH11 ARG A 94 43.421 -58.490 -64.387 1.00 41.34 H new ATOM 0 HH12 ARG A 94 43.419 -58.318 -62.628 1.00 41.34 H new ATOM 0 HH21 ARG A 94 43.063 -54.811 -62.699 1.00 63.10 H new ATOM 0 HH22 ARG A 94 43.217 -56.243 -61.677 1.00 63.10 H new ATOM 1404 N HIS A 95 40.342 -56.566 -70.738 1.00 44.20 N ATOM 1405 CA HIS A 95 39.539 -55.709 -71.603 1.00 60.33 C ATOM 1406 C HIS A 95 38.061 -56.075 -71.508 1.00 52.43 C ATOM 1407 O HIS A 95 37.196 -55.199 -71.495 1.00 71.20 O ATOM 1408 CB HIS A 95 40.013 -55.825 -73.052 1.00 53.25 C ATOM 1409 CG HIS A 95 38.946 -55.517 -74.058 1.00 10.23 C ATOM 1410 ND1 HIS A 95 38.143 -54.398 -73.984 1.00 62.03 N ATOM 1411 CD2 HIS A 95 38.553 -56.188 -75.165 1.00 40.04 C ATOM 1412 CE1 HIS A 95 37.301 -54.395 -75.002 1.00 64.34 C ATOM 1413 NE2 HIS A 95 37.530 -55.471 -75.735 1.00 13.34 N ATOM 0 H HIS A 95 41.044 -57.121 -71.228 1.00 44.20 H new ATOM 0 HA HIS A 95 39.662 -54.679 -71.269 1.00 60.33 H new ATOM 0 HB2 HIS A 95 40.853 -55.147 -73.206 1.00 53.25 H new ATOM 0 HB3 HIS A 95 40.383 -56.836 -73.225 1.00 53.25 H new ATOM 0 HD2 HIS A 95 38.967 -57.115 -75.532 1.00 40.04 H new ATOM 0 HE1 HIS A 95 36.553 -53.642 -75.201 1.00 64.34 H new ATOM 0 HE2 HIS A 95 37.028 -55.727 -76.585 1.00 13.34 H new ATOM 1421 N GLN A 96 37.780 -57.372 -71.443 1.00 73.03 N ATOM 1422 CA GLN A 96 36.406 -57.852 -71.351 1.00 51.11 C ATOM 1423 C GLN A 96 35.792 -57.491 -70.002 1.00 44.44 C ATOM 1424 O GLN A 96 34.631 -57.087 -69.925 1.00 21.44 O ATOM 1425 CB GLN A 96 36.358 -59.367 -71.557 1.00 54.24 C ATOM 1426 CG GLN A 96 35.013 -59.986 -71.210 1.00 42.51 C ATOM 1427 CD GLN A 96 35.020 -61.497 -71.322 1.00 22.41 C ATOM 1428 OE1 GLN A 96 34.417 -62.067 -72.232 1.00 14.13 O ATOM 1429 NE2 GLN A 96 35.705 -62.157 -70.395 1.00 2.41 N ATOM 0 H GLN A 96 38.485 -58.109 -71.452 1.00 73.03 H new ATOM 0 HA GLN A 96 35.825 -57.367 -72.135 1.00 51.11 H new ATOM 0 HB2 GLN A 96 36.594 -59.592 -72.597 1.00 54.24 H new ATOM 0 HB3 GLN A 96 37.131 -59.833 -70.946 1.00 54.24 H new ATOM 0 HG2 GLN A 96 34.738 -59.702 -70.194 1.00 42.51 H new ATOM 0 HG3 GLN A 96 34.249 -59.580 -71.873 1.00 42.51 H new ATOM 0 HE21 GLN A 96 36.190 -61.645 -69.658 1.00 2.41 H new ATOM 0 HE22 GLN A 96 35.746 -63.176 -70.420 1.00 2.41 H new ATOM 1438 N LEU A 97 36.579 -57.638 -68.942 1.00 11.00 N ATOM 1439 CA LEU A 97 36.113 -57.327 -67.595 1.00 20.42 C ATOM 1440 C LEU A 97 35.500 -55.932 -67.539 1.00 10.21 C ATOM 1441 O LEU A 97 34.381 -55.754 -67.058 1.00 14.14 O ATOM 1442 CB LEU A 97 37.269 -57.429 -66.598 1.00 72.51 C ATOM 1443 CG LEU A 97 37.644 -58.842 -66.148 1.00 2.31 C ATOM 1444 CD1 LEU A 97 38.952 -58.825 -65.372 1.00 41.31 C ATOM 1445 CD2 LEU A 97 36.530 -59.447 -65.306 1.00 4.10 C ATOM 0 H LEU A 97 37.542 -57.970 -68.989 1.00 11.00 H new ATOM 0 HA LEU A 97 35.345 -58.052 -67.327 1.00 20.42 H new ATOM 0 HB2 LEU A 97 38.149 -56.966 -67.044 1.00 72.51 H new ATOM 0 HB3 LEU A 97 37.014 -56.844 -65.715 1.00 72.51 H new ATOM 0 HG LEU A 97 37.779 -59.461 -67.035 1.00 2.31 H new ATOM 0 HD11 LEU A 97 39.203 -59.839 -65.060 1.00 41.31 H new ATOM 0 HD12 LEU A 97 39.747 -58.434 -66.007 1.00 41.31 H new ATOM 0 HD13 LEU A 97 38.845 -58.191 -64.492 1.00 41.31 H new ATOM 0 HD21 LEU A 97 36.814 -60.452 -64.995 1.00 4.10 H new ATOM 0 HD22 LEU A 97 36.363 -58.828 -64.425 1.00 4.10 H new ATOM 0 HD23 LEU A 97 35.614 -59.495 -65.895 1.00 4.10 H new ATOM 1457 N ILE A 98 36.239 -54.946 -68.036 1.00 25.13 N ATOM 1458 CA ILE A 98 35.767 -53.567 -68.045 1.00 71.31 C ATOM 1459 C ILE A 98 34.792 -53.328 -69.193 1.00 44.04 C ATOM 1460 O ILE A 98 33.839 -52.560 -69.062 1.00 74.53 O ATOM 1461 CB ILE A 98 36.936 -52.572 -68.163 1.00 63.13 C ATOM 1462 CG1 ILE A 98 37.628 -52.723 -69.520 1.00 11.12 C ATOM 1463 CG2 ILE A 98 37.929 -52.784 -67.030 1.00 70.41 C ATOM 1464 CD1 ILE A 98 38.828 -51.818 -69.690 1.00 52.23 C ATOM 0 H ILE A 98 37.167 -55.077 -68.438 1.00 25.13 H new ATOM 0 HA ILE A 98 35.256 -53.402 -67.097 1.00 71.31 H new ATOM 0 HB ILE A 98 36.540 -51.559 -68.088 1.00 63.13 H new ATOM 0 HG12 ILE A 98 37.944 -53.759 -69.645 1.00 11.12 H new ATOM 0 HG13 ILE A 98 36.909 -52.512 -70.311 1.00 11.12 H new ATOM 0 HG21 ILE A 98 38.749 -52.073 -67.128 1.00 70.41 H new ATOM 0 HG22 ILE A 98 37.428 -52.631 -66.074 1.00 70.41 H new ATOM 0 HG23 ILE A 98 38.322 -53.800 -67.076 1.00 70.41 H new ATOM 0 HD11 ILE A 98 39.268 -51.979 -70.674 1.00 52.23 H new ATOM 0 HD12 ILE A 98 38.515 -50.778 -69.598 1.00 52.23 H new ATOM 0 HD13 ILE A 98 39.566 -52.044 -68.921 1.00 52.23 H new ATOM 1476 N TYR A 99 35.038 -53.991 -70.318 1.00 33.11 N ATOM 1477 CA TYR A 99 34.182 -53.850 -71.490 1.00 64.43 C ATOM 1478 C TYR A 99 33.827 -52.387 -71.733 1.00 42.30 C ATOM 1479 O TYR A 99 32.654 -52.029 -71.833 1.00 44.13 O ATOM 1480 CB TYR A 99 32.905 -54.675 -71.318 1.00 5.21 C ATOM 1481 CG TYR A 99 32.027 -54.694 -72.548 1.00 73.41 C ATOM 1482 CD1 TYR A 99 32.501 -55.187 -73.757 1.00 42.04 C ATOM 1483 CD2 TYR A 99 30.721 -54.221 -72.501 1.00 21.14 C ATOM 1484 CE1 TYR A 99 31.702 -55.206 -74.884 1.00 11.01 C ATOM 1485 CE2 TYR A 99 29.914 -54.238 -73.622 1.00 1.32 C ATOM 1486 CZ TYR A 99 30.409 -54.731 -74.811 1.00 42.51 C ATOM 1487 OH TYR A 99 29.609 -54.749 -75.931 1.00 24.13 O ATOM 0 H TYR A 99 35.823 -54.631 -70.443 1.00 33.11 H new ATOM 0 HA TYR A 99 34.731 -54.220 -72.356 1.00 64.43 H new ATOM 0 HB2 TYR A 99 33.176 -55.699 -71.059 1.00 5.21 H new ATOM 0 HB3 TYR A 99 32.334 -54.275 -70.480 1.00 5.21 H new ATOM 0 HD1 TYR A 99 33.512 -55.562 -73.817 1.00 42.04 H new ATOM 0 HD2 TYR A 99 30.330 -53.833 -71.572 1.00 21.14 H new ATOM 0 HE1 TYR A 99 32.088 -55.591 -75.817 1.00 11.01 H new ATOM 0 HE2 TYR A 99 28.901 -53.867 -73.568 1.00 1.32 H new ATOM 0 HH TYR A 99 28.728 -54.381 -75.710 1.00 24.13 H new ATOM 1497 N GLY A 100 34.851 -51.544 -71.827 1.00 42.42 N ATOM 1498 CA GLY A 100 34.628 -50.128 -72.058 1.00 20.40 C ATOM 1499 C GLY A 100 34.851 -49.735 -73.505 1.00 4.54 C ATOM 1500 O GLY A 100 34.445 -48.653 -73.931 1.00 73.04 O ATOM 0 H GLY A 100 35.831 -51.816 -71.747 1.00 42.42 H new ATOM 0 HA2 GLY A 100 33.609 -49.872 -71.768 1.00 20.40 H new ATOM 0 HA3 GLY A 100 35.296 -49.549 -71.420 1.00 20.40 H new ATOM 1504 N LEU A 101 35.501 -50.612 -74.261 1.00 71.23 N ATOM 1505 CA LEU A 101 35.780 -50.350 -75.669 1.00 73.01 C ATOM 1506 C LEU A 101 34.530 -50.556 -76.519 1.00 40.42 C ATOM 1507 O LEU A 101 34.515 -51.384 -77.430 1.00 63.34 O ATOM 1508 CB LEU A 101 36.903 -51.262 -76.165 1.00 44.31 C ATOM 1509 CG LEU A 101 37.783 -50.697 -77.281 1.00 10.40 C ATOM 1510 CD1 LEU A 101 39.193 -50.442 -76.772 1.00 1.22 C ATOM 1511 CD2 LEU A 101 37.807 -51.643 -78.472 1.00 60.32 C ATOM 0 H LEU A 101 35.845 -51.511 -73.923 1.00 71.23 H new ATOM 0 HA LEU A 101 36.095 -49.311 -75.764 1.00 73.01 H new ATOM 0 HB2 LEU A 101 37.541 -51.512 -75.318 1.00 44.31 H new ATOM 0 HB3 LEU A 101 36.459 -52.194 -76.516 1.00 44.31 H new ATOM 0 HG LEU A 101 37.359 -49.747 -77.606 1.00 10.40 H new ATOM 0 HD11 LEU A 101 39.804 -50.040 -77.580 1.00 1.22 H new ATOM 0 HD12 LEU A 101 39.160 -49.725 -75.951 1.00 1.22 H new ATOM 0 HD13 LEU A 101 39.627 -51.377 -76.419 1.00 1.22 H new ATOM 0 HD21 LEU A 101 38.438 -51.225 -79.256 1.00 60.32 H new ATOM 0 HD22 LEU A 101 38.206 -52.609 -78.162 1.00 60.32 H new ATOM 0 HD23 LEU A 101 36.794 -51.774 -78.853 1.00 60.32 H new ATOM 1523 N LEU A 102 33.484 -49.795 -76.217 1.00 33.11 N ATOM 1524 CA LEU A 102 32.229 -49.892 -76.955 1.00 11.32 C ATOM 1525 C LEU A 102 31.188 -48.933 -76.386 1.00 53.25 C ATOM 1526 O LEU A 102 30.460 -49.273 -75.454 1.00 13.31 O ATOM 1527 CB LEU A 102 31.697 -51.325 -76.910 1.00 20.23 C ATOM 1528 CG LEU A 102 31.745 -52.101 -78.227 1.00 4.24 C ATOM 1529 CD1 LEU A 102 32.122 -53.553 -77.977 1.00 72.03 C ATOM 1530 CD2 LEU A 102 30.409 -52.011 -78.948 1.00 54.30 C ATOM 0 H LEU A 102 33.480 -49.104 -75.467 1.00 33.11 H new ATOM 0 HA LEU A 102 32.423 -49.616 -77.991 1.00 11.32 H new ATOM 0 HB2 LEU A 102 32.266 -51.879 -76.164 1.00 20.23 H new ATOM 0 HB3 LEU A 102 30.663 -51.297 -76.566 1.00 20.23 H new ATOM 0 HG LEU A 102 32.509 -51.653 -78.863 1.00 4.24 H new ATOM 0 HD11 LEU A 102 32.151 -54.090 -78.925 1.00 72.03 H new ATOM 0 HD12 LEU A 102 33.103 -53.598 -77.504 1.00 72.03 H new ATOM 0 HD13 LEU A 102 31.382 -54.013 -77.322 1.00 72.03 H new ATOM 0 HD21 LEU A 102 30.462 -52.569 -79.883 1.00 54.30 H new ATOM 0 HD22 LEU A 102 29.626 -52.433 -78.318 1.00 54.30 H new ATOM 0 HD23 LEU A 102 30.180 -50.967 -79.161 1.00 54.30 H new ATOM 1542 N SER A 103 31.122 -47.734 -76.956 1.00 55.33 N ATOM 1543 CA SER A 103 30.170 -46.725 -76.506 1.00 3.45 C ATOM 1544 C SER A 103 30.302 -45.447 -77.330 1.00 30.44 C ATOM 1545 O SER A 103 29.476 -45.169 -78.199 1.00 45.05 O ATOM 1546 CB SER A 103 30.389 -46.414 -75.024 1.00 15.45 C ATOM 1547 OG SER A 103 29.382 -47.010 -74.224 1.00 24.33 O ATOM 0 H SER A 103 31.716 -47.438 -77.730 1.00 55.33 H new ATOM 0 HA SER A 103 29.164 -47.122 -76.643 1.00 3.45 H new ATOM 0 HB2 SER A 103 31.368 -46.779 -74.713 1.00 15.45 H new ATOM 0 HB3 SER A 103 30.388 -45.335 -74.872 1.00 15.45 H new ATOM 0 HG SER A 103 29.379 -47.979 -74.370 1.00 24.33 H new ATOM 1553 N ASP A 104 31.346 -44.675 -77.049 1.00 14.11 N ATOM 1554 CA ASP A 104 31.588 -43.427 -77.764 1.00 35.11 C ATOM 1555 C ASP A 104 32.193 -43.697 -79.138 1.00 2.22 C ATOM 1556 O ASP A 104 31.840 -43.046 -80.120 1.00 74.15 O ATOM 1557 CB ASP A 104 32.515 -42.521 -76.953 1.00 22.33 C ATOM 1558 CG ASP A 104 32.521 -41.094 -77.463 1.00 5.44 C ATOM 1559 OD1 ASP A 104 32.642 -40.902 -78.691 1.00 61.41 O ATOM 1560 OD2 ASP A 104 32.405 -40.167 -76.633 1.00 71.45 O ATOM 0 H ASP A 104 32.038 -44.891 -76.332 1.00 14.11 H new ATOM 0 HA ASP A 104 30.631 -42.924 -77.901 1.00 35.11 H new ATOM 0 HB2 ASP A 104 32.204 -42.529 -75.908 1.00 22.33 H new ATOM 0 HB3 ASP A 104 33.529 -42.920 -76.986 1.00 22.33 H new ATOM 1565 N GLU A 105 33.108 -44.660 -79.197 1.00 50.42 N ATOM 1566 CA GLU A 105 33.764 -45.013 -80.451 1.00 33.03 C ATOM 1567 C GLU A 105 32.740 -45.442 -81.498 1.00 62.20 C ATOM 1568 O GLU A 105 32.822 -45.046 -82.661 1.00 30.31 O ATOM 1569 CB GLU A 105 34.778 -46.136 -80.223 1.00 12.14 C ATOM 1570 CG GLU A 105 34.815 -47.160 -81.345 1.00 1.42 C ATOM 1571 CD GLU A 105 35.707 -48.344 -81.025 1.00 11.41 C ATOM 1572 OE1 GLU A 105 35.874 -48.654 -79.827 1.00 65.53 O ATOM 1573 OE2 GLU A 105 36.237 -48.959 -81.973 1.00 61.44 O ATOM 0 H GLU A 105 33.411 -45.209 -78.392 1.00 50.42 H new ATOM 0 HA GLU A 105 34.287 -44.130 -80.819 1.00 33.03 H new ATOM 0 HB2 GLU A 105 35.770 -45.700 -80.108 1.00 12.14 H new ATOM 0 HB3 GLU A 105 34.542 -46.643 -79.287 1.00 12.14 H new ATOM 0 HG2 GLU A 105 33.803 -47.515 -81.542 1.00 1.42 H new ATOM 0 HG3 GLU A 105 35.168 -46.680 -82.258 1.00 1.42 H new ATOM 1580 N PHE A 106 31.777 -46.255 -81.077 1.00 31.10 N ATOM 1581 CA PHE A 106 30.738 -46.740 -81.978 1.00 32.12 C ATOM 1582 C PHE A 106 29.943 -45.578 -82.567 1.00 62.31 C ATOM 1583 O PHE A 106 29.514 -45.626 -83.720 1.00 42.32 O ATOM 1584 CB PHE A 106 29.797 -47.693 -81.239 1.00 34.53 C ATOM 1585 CG PHE A 106 28.617 -48.128 -82.061 1.00 30.25 C ATOM 1586 CD1 PHE A 106 28.800 -48.797 -83.260 1.00 24.41 C ATOM 1587 CD2 PHE A 106 27.325 -47.868 -81.634 1.00 32.34 C ATOM 1588 CE1 PHE A 106 27.717 -49.198 -84.018 1.00 53.34 C ATOM 1589 CE2 PHE A 106 26.237 -48.267 -82.388 1.00 0.43 C ATOM 1590 CZ PHE A 106 26.433 -48.933 -83.581 1.00 64.12 C ATOM 0 H PHE A 106 31.694 -46.592 -80.118 1.00 31.10 H new ATOM 0 HA PHE A 106 31.221 -47.277 -82.794 1.00 32.12 H new ATOM 0 HB2 PHE A 106 30.357 -48.575 -80.927 1.00 34.53 H new ATOM 0 HB3 PHE A 106 29.438 -47.206 -80.332 1.00 34.53 H new ATOM 0 HD1 PHE A 106 29.801 -49.008 -83.606 1.00 24.41 H new ATOM 0 HD2 PHE A 106 27.166 -47.348 -80.701 1.00 32.34 H new ATOM 0 HE1 PHE A 106 27.874 -49.718 -84.951 1.00 53.34 H new ATOM 0 HE2 PHE A 106 25.235 -48.058 -82.044 1.00 0.43 H new ATOM 0 HZ PHE A 106 25.585 -49.246 -84.172 1.00 64.12 H new ATOM 1600 N LYS A 107 29.750 -44.535 -81.767 1.00 21.41 N ATOM 1601 CA LYS A 107 29.008 -43.360 -82.207 1.00 1.21 C ATOM 1602 C LYS A 107 29.668 -42.725 -83.426 1.00 43.44 C ATOM 1603 O LYS A 107 29.014 -42.038 -84.211 1.00 23.21 O ATOM 1604 CB LYS A 107 28.915 -42.336 -81.073 1.00 70.20 C ATOM 1605 CG LYS A 107 28.163 -41.073 -81.455 1.00 4.45 C ATOM 1606 CD LYS A 107 27.815 -40.240 -80.232 1.00 30.51 C ATOM 1607 CE LYS A 107 26.310 -40.094 -80.068 1.00 10.11 C ATOM 1608 NZ LYS A 107 25.743 -41.148 -79.181 1.00 44.41 N ATOM 0 H LYS A 107 30.098 -44.480 -80.810 1.00 21.41 H new ATOM 0 HA LYS A 107 28.003 -43.679 -82.484 1.00 1.21 H new ATOM 0 HB2 LYS A 107 28.422 -42.798 -80.217 1.00 70.20 H new ATOM 0 HB3 LYS A 107 29.922 -42.067 -80.754 1.00 70.20 H new ATOM 0 HG2 LYS A 107 28.770 -40.480 -82.140 1.00 4.45 H new ATOM 0 HG3 LYS A 107 27.250 -41.339 -81.987 1.00 4.45 H new ATOM 0 HD2 LYS A 107 28.236 -40.706 -79.341 1.00 30.51 H new ATOM 0 HD3 LYS A 107 28.270 -39.253 -80.321 1.00 30.51 H new ATOM 0 HE2 LYS A 107 26.084 -39.111 -79.655 1.00 10.11 H new ATOM 0 HE3 LYS A 107 25.831 -40.146 -81.046 1.00 10.11 H new ATOM 0 HZ1 LYS A 107 24.715 -41.013 -79.095 1.00 44.41 H new ATOM 0 HZ2 LYS A 107 25.937 -42.085 -79.588 1.00 44.41 H new ATOM 0 HZ3 LYS A 107 26.181 -41.082 -78.240 1.00 44.41 H new ATOM 1622 N ALA A 108 30.967 -42.960 -83.580 1.00 3.40 N ATOM 1623 CA ALA A 108 31.715 -42.413 -84.706 1.00 35.30 C ATOM 1624 C ALA A 108 32.000 -43.489 -85.749 1.00 1.51 C ATOM 1625 O ALA A 108 32.165 -43.192 -86.931 1.00 55.04 O ATOM 1626 CB ALA A 108 33.014 -41.786 -84.223 1.00 13.24 C ATOM 0 H ALA A 108 31.524 -43.526 -82.939 1.00 3.40 H new ATOM 0 HA ALA A 108 31.105 -41.641 -85.175 1.00 35.30 H new ATOM 0 HB1 ALA A 108 33.562 -41.382 -85.074 1.00 13.24 H new ATOM 0 HB2 ALA A 108 32.791 -40.983 -83.521 1.00 13.24 H new ATOM 0 HB3 ALA A 108 33.621 -42.543 -83.727 1.00 13.24 H new ATOM 1632 N GLY A 109 32.058 -44.740 -85.302 1.00 44.50 N ATOM 1633 CA GLY A 109 32.325 -45.840 -86.210 1.00 2.22 C ATOM 1634 C GLY A 109 33.804 -46.006 -86.501 1.00 55.31 C ATOM 1635 O GLY A 109 34.193 -46.840 -87.319 1.00 21.52 O ATOM 0 H GLY A 109 31.925 -45.011 -84.328 1.00 44.50 H new ATOM 0 HA2 GLY A 109 31.936 -46.764 -85.781 1.00 2.22 H new ATOM 0 HA3 GLY A 109 31.790 -45.673 -87.145 1.00 2.22 H new ATOM 1639 N LEU A 110 34.630 -45.209 -85.833 1.00 14.45 N ATOM 1640 CA LEU A 110 36.074 -45.270 -86.025 1.00 4.52 C ATOM 1641 C LEU A 110 36.668 -46.482 -85.314 1.00 53.12 C ATOM 1642 O LEU A 110 36.182 -46.897 -84.261 1.00 51.24 O ATOM 1643 CB LEU A 110 36.732 -43.989 -85.508 1.00 11.22 C ATOM 1644 CG LEU A 110 36.867 -43.870 -83.989 1.00 44.44 C ATOM 1645 CD1 LEU A 110 35.530 -44.124 -83.313 1.00 34.34 C ATOM 1646 CD2 LEU A 110 37.922 -44.836 -83.471 1.00 3.24 C ATOM 0 H LEU A 110 34.324 -44.513 -85.153 1.00 14.45 H new ATOM 0 HA LEU A 110 36.269 -45.367 -87.093 1.00 4.52 H new ATOM 0 HB2 LEU A 110 37.726 -43.912 -85.948 1.00 11.22 H new ATOM 0 HB3 LEU A 110 36.156 -43.137 -85.869 1.00 11.22 H new ATOM 0 HG LEU A 110 37.184 -42.855 -83.749 1.00 44.44 H new ATOM 0 HD11 LEU A 110 35.646 -44.035 -82.233 1.00 34.34 H new ATOM 0 HD12 LEU A 110 34.801 -43.392 -83.661 1.00 34.34 H new ATOM 0 HD13 LEU A 110 35.183 -45.127 -83.559 1.00 34.34 H new ATOM 0 HD21 LEU A 110 38.005 -44.738 -82.389 1.00 3.24 H new ATOM 0 HD22 LEU A 110 37.635 -45.857 -83.722 1.00 3.24 H new ATOM 0 HD23 LEU A 110 38.883 -44.606 -83.931 1.00 3.24 H new ATOM 1658 N HIS A 111 37.722 -47.045 -85.896 1.00 1.13 N ATOM 1659 CA HIS A 111 38.384 -48.208 -85.317 1.00 21.45 C ATOM 1660 C HIS A 111 39.189 -47.816 -84.081 1.00 65.44 C ATOM 1661 O HIS A 111 39.961 -46.858 -84.110 1.00 55.30 O ATOM 1662 CB HIS A 111 39.300 -48.867 -86.349 1.00 34.12 C ATOM 1663 CG HIS A 111 39.340 -50.361 -86.247 1.00 10.11 C ATOM 1664 ND1 HIS A 111 38.211 -51.134 -86.077 1.00 61.45 N ATOM 1665 CD2 HIS A 111 40.382 -51.224 -86.293 1.00 50.53 C ATOM 1666 CE1 HIS A 111 38.557 -52.408 -86.022 1.00 62.23 C ATOM 1667 NE2 HIS A 111 39.869 -52.489 -86.151 1.00 62.52 N ATOM 0 H HIS A 111 38.136 -46.715 -86.768 1.00 1.13 H new ATOM 0 HA HIS A 111 37.615 -48.921 -85.017 1.00 21.45 H new ATOM 0 HB2 HIS A 111 38.967 -48.588 -87.349 1.00 34.12 H new ATOM 0 HB3 HIS A 111 40.310 -48.476 -86.229 1.00 34.12 H new ATOM 0 HD2 HIS A 111 41.423 -50.965 -86.418 1.00 50.53 H new ATOM 0 HE1 HIS A 111 37.882 -53.241 -85.893 1.00 62.23 H new ATOM 0 HE2 HIS A 111 40.413 -53.352 -86.146 1.00 62.52 H new ATOM 1675 N ALA A 112 39.004 -48.564 -82.998 1.00 42.13 N ATOM 1676 CA ALA A 112 39.714 -48.295 -81.754 1.00 62.10 C ATOM 1677 C ALA A 112 40.646 -49.447 -81.394 1.00 31.33 C ATOM 1678 O ALA A 112 40.515 -50.553 -81.921 1.00 22.05 O ATOM 1679 CB ALA A 112 38.725 -48.041 -80.626 1.00 61.12 C ATOM 0 H ALA A 112 38.369 -49.361 -82.957 1.00 42.13 H new ATOM 0 HA ALA A 112 40.322 -47.402 -81.897 1.00 62.10 H new ATOM 0 HB1 ALA A 112 39.269 -47.842 -79.703 1.00 61.12 H new ATOM 0 HB2 ALA A 112 38.103 -47.181 -80.874 1.00 61.12 H new ATOM 0 HB3 ALA A 112 38.093 -48.919 -80.492 1.00 61.12 H new ATOM 1685 N LEU A 113 41.587 -49.182 -80.494 1.00 35.00 N ATOM 1686 CA LEU A 113 42.541 -50.197 -80.063 1.00 64.33 C ATOM 1687 C LEU A 113 42.480 -50.397 -78.552 1.00 52.23 C ATOM 1688 O LEU A 113 42.149 -49.475 -77.808 1.00 11.34 O ATOM 1689 CB LEU A 113 43.959 -49.801 -80.479 1.00 62.45 C ATOM 1690 CG LEU A 113 44.305 -48.317 -80.355 1.00 63.23 C ATOM 1691 CD1 LEU A 113 45.619 -48.136 -79.612 1.00 5.03 C ATOM 1692 CD2 LEU A 113 44.375 -47.669 -81.730 1.00 53.13 C ATOM 0 H LEU A 113 41.709 -48.272 -80.049 1.00 35.00 H new ATOM 0 HA LEU A 113 42.275 -51.137 -80.546 1.00 64.33 H new ATOM 0 HB2 LEU A 113 44.666 -50.370 -79.875 1.00 62.45 H new ATOM 0 HB3 LEU A 113 44.110 -50.103 -81.515 1.00 62.45 H new ATOM 0 HG LEU A 113 43.517 -47.826 -79.784 1.00 63.23 H new ATOM 0 HD11 LEU A 113 45.849 -47.073 -79.533 1.00 5.03 H new ATOM 0 HD12 LEU A 113 45.534 -48.564 -78.613 1.00 5.03 H new ATOM 0 HD13 LEU A 113 46.417 -48.641 -80.156 1.00 5.03 H new ATOM 0 HD21 LEU A 113 44.622 -46.613 -81.622 1.00 53.13 H new ATOM 0 HD22 LEU A 113 45.143 -48.163 -82.326 1.00 53.13 H new ATOM 0 HD23 LEU A 113 43.410 -47.767 -82.228 1.00 53.13 H new ATOM 1704 N ALA A 114 42.803 -51.607 -78.107 1.00 14.53 N ATOM 1705 CA ALA A 114 42.788 -51.926 -76.685 1.00 1.24 C ATOM 1706 C ALA A 114 43.996 -52.773 -76.300 1.00 3.13 C ATOM 1707 O ALA A 114 44.325 -53.746 -76.978 1.00 44.50 O ATOM 1708 CB ALA A 114 41.498 -52.645 -76.318 1.00 64.23 C ATOM 0 H ALA A 114 43.078 -52.382 -78.711 1.00 14.53 H new ATOM 0 HA ALA A 114 42.840 -50.991 -76.128 1.00 1.24 H new ATOM 0 HB1 ALA A 114 41.501 -52.877 -75.253 1.00 64.23 H new ATOM 0 HB2 ALA A 114 40.646 -52.004 -76.547 1.00 64.23 H new ATOM 0 HB3 ALA A 114 41.421 -53.569 -76.890 1.00 64.23 H new ATOM 1714 N MET A 115 44.654 -52.396 -75.208 1.00 35.33 N ATOM 1715 CA MET A 115 45.826 -53.123 -74.733 1.00 55.30 C ATOM 1716 C MET A 115 45.857 -53.167 -73.209 1.00 20.24 C ATOM 1717 O MET A 115 45.896 -52.129 -72.547 1.00 63.12 O ATOM 1718 CB MET A 115 47.105 -52.472 -75.262 1.00 53.54 C ATOM 1719 CG MET A 115 46.893 -51.655 -76.527 1.00 35.10 C ATOM 1720 SD MET A 115 48.436 -51.289 -77.384 1.00 52.23 S ATOM 1721 CE MET A 115 48.167 -52.134 -78.941 1.00 3.53 C ATOM 0 H MET A 115 44.396 -51.592 -74.636 1.00 35.33 H new ATOM 0 HA MET A 115 45.765 -54.145 -75.107 1.00 55.30 H new ATOM 0 HB2 MET A 115 47.521 -51.827 -74.488 1.00 53.54 H new ATOM 0 HB3 MET A 115 47.843 -53.249 -75.461 1.00 53.54 H new ATOM 0 HG2 MET A 115 46.229 -52.199 -77.199 1.00 35.10 H new ATOM 0 HG3 MET A 115 46.393 -50.721 -76.272 1.00 35.10 H new ATOM 0 HE1 MET A 115 49.038 -52.000 -79.583 1.00 3.53 H new ATOM 0 HE2 MET A 115 48.013 -53.197 -78.756 1.00 3.53 H new ATOM 0 HE3 MET A 115 47.287 -51.720 -79.432 1.00 3.53 H new ATOM 1731 N THR A 116 45.839 -54.376 -72.656 1.00 22.14 N ATOM 1732 CA THR A 116 45.864 -54.555 -71.209 1.00 61.45 C ATOM 1733 C THR A 116 47.035 -55.434 -70.785 1.00 3.25 C ATOM 1734 O THR A 116 47.174 -56.568 -71.244 1.00 34.12 O ATOM 1735 CB THR A 116 44.554 -55.184 -70.699 1.00 31.03 C ATOM 1736 OG1 THR A 116 44.658 -56.612 -70.712 1.00 72.11 O ATOM 1737 CG2 THR A 116 43.375 -54.748 -71.555 1.00 73.22 C ATOM 0 H THR A 116 45.807 -55.246 -73.188 1.00 22.14 H new ATOM 0 HA THR A 116 45.978 -53.564 -70.769 1.00 61.45 H new ATOM 0 HB THR A 116 44.387 -54.842 -69.678 1.00 31.03 H new ATOM 0 HG1 THR A 116 43.839 -56.996 -71.089 1.00 72.11 H new ATOM 0 HG21 THR A 116 42.461 -55.205 -71.175 1.00 73.22 H new ATOM 0 HG22 THR A 116 43.280 -53.663 -71.518 1.00 73.22 H new ATOM 0 HG23 THR A 116 43.537 -55.063 -72.586 1.00 73.22 H new ATOM 1745 N THR A 117 47.878 -54.903 -69.903 1.00 72.44 N ATOM 1746 CA THR A 117 49.038 -55.639 -69.417 1.00 31.15 C ATOM 1747 C THR A 117 48.994 -55.794 -67.901 1.00 22.13 C ATOM 1748 O THR A 117 49.165 -54.824 -67.162 1.00 21.34 O ATOM 1749 CB THR A 117 50.353 -54.941 -69.812 1.00 54.31 C ATOM 1750 OG1 THR A 117 51.442 -55.484 -69.058 1.00 11.53 O ATOM 1751 CG2 THR A 117 50.262 -53.441 -69.574 1.00 34.01 C ATOM 0 H THR A 117 47.778 -53.966 -69.512 1.00 72.44 H new ATOM 0 HA THR A 117 49.005 -56.624 -69.882 1.00 31.15 H new ATOM 0 HB THR A 117 50.526 -55.114 -70.874 1.00 54.31 H new ATOM 0 HG1 THR A 117 52.274 -55.036 -69.316 1.00 11.53 H new ATOM 0 HG21 THR A 117 51.202 -52.970 -69.860 1.00 34.01 H new ATOM 0 HG22 THR A 117 49.451 -53.026 -70.173 1.00 34.01 H new ATOM 0 HG23 THR A 117 50.067 -53.251 -68.518 1.00 34.01 H new ATOM 1759 N LYS A 118 48.765 -57.020 -67.442 1.00 51.03 N ATOM 1760 CA LYS A 118 48.701 -57.304 -66.014 1.00 14.54 C ATOM 1761 C LYS A 118 49.517 -58.545 -65.668 1.00 75.10 C ATOM 1762 O LYS A 118 49.521 -59.526 -66.413 1.00 53.31 O ATOM 1763 CB LYS A 118 47.247 -57.497 -65.576 1.00 70.51 C ATOM 1764 CG LYS A 118 47.093 -57.800 -64.096 1.00 14.14 C ATOM 1765 CD LYS A 118 46.517 -59.188 -63.867 1.00 42.40 C ATOM 1766 CE LYS A 118 46.724 -59.647 -62.432 1.00 34.02 C ATOM 1767 NZ LYS A 118 46.202 -61.024 -62.210 1.00 23.21 N ATOM 0 H LYS A 118 48.620 -57.834 -68.040 1.00 51.03 H new ATOM 0 HA LYS A 118 49.125 -56.453 -65.481 1.00 14.54 H new ATOM 0 HB2 LYS A 118 46.682 -56.596 -65.815 1.00 70.51 H new ATOM 0 HB3 LYS A 118 46.808 -58.311 -66.153 1.00 70.51 H new ATOM 0 HG2 LYS A 118 48.063 -57.722 -63.605 1.00 14.14 H new ATOM 0 HG3 LYS A 118 46.443 -57.055 -63.637 1.00 14.14 H new ATOM 0 HD2 LYS A 118 45.452 -59.184 -64.099 1.00 42.40 H new ATOM 0 HD3 LYS A 118 46.989 -59.896 -64.548 1.00 42.40 H new ATOM 0 HE2 LYS A 118 47.787 -59.618 -62.191 1.00 34.02 H new ATOM 0 HE3 LYS A 118 46.224 -58.955 -61.754 1.00 34.02 H new ATOM 0 HZ1 LYS A 118 46.362 -61.300 -61.220 1.00 23.21 H new ATOM 0 HZ2 LYS A 118 45.183 -61.046 -62.415 1.00 23.21 H new ATOM 0 HZ3 LYS A 118 46.696 -61.688 -62.839 1.00 23.21 H new ATOM 1781 N THR A 119 50.206 -58.498 -64.532 1.00 40.33 N ATOM 1782 CA THR A 119 51.025 -59.618 -64.088 1.00 61.30 C ATOM 1783 C THR A 119 50.195 -60.891 -63.963 1.00 12.52 C ATOM 1784 O THR A 119 48.970 -60.852 -63.840 1.00 44.01 O ATOM 1785 CB THR A 119 51.696 -59.321 -62.734 1.00 22.43 C ATOM 1786 OG1 THR A 119 51.062 -58.201 -62.108 1.00 15.24 O ATOM 1787 CG2 THR A 119 53.179 -59.034 -62.916 1.00 31.42 C ATOM 0 H THR A 119 50.213 -57.695 -63.903 1.00 40.33 H new ATOM 0 HA THR A 119 51.797 -59.764 -64.843 1.00 61.30 H new ATOM 0 HB THR A 119 51.587 -60.201 -62.100 1.00 22.43 H new ATOM 0 HG1 THR A 119 51.494 -58.020 -61.247 1.00 15.24 H new ATOM 0 HG21 THR A 119 53.631 -58.827 -61.946 1.00 31.42 H new ATOM 0 HG22 THR A 119 53.665 -59.900 -63.366 1.00 31.42 H new ATOM 0 HG23 THR A 119 53.305 -58.169 -63.567 1.00 31.42 H new