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 47 THR OG1 : rot 15:sc= -1.09! USER MOD Set 1.2: A 83 SER OG : rot -62:sc= 1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -113:sc= -0.0197 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= -0.025 (180deg=-0.0279) USER MOD Single : A 45 SER OG : rot 180:sc= -0.531 USER MOD Single : A 48 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.052) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00146) USER MOD Single : A 53 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.39) USER MOD Single : A 55 SER OG : rot 120:sc= -0.201 USER MOD Single : A 56 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-1.1) USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.495 USER MOD Single : A 76 HIS : no HE2:sc= -0.966 X(o=-0.97,f=-1.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 39:sc= 1.13 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-6.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.17) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -120:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0025) USER MOD Single : A 115 MET CE :methyl -122:sc= -1.96! (180deg=-2.65) USER MOD Single : A 116 THR OG1 : rot -80:sc= -2.02 USER MOD Single : A 117 THR OG1 : rot 150:sc= -0.568 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 36.458 -36.476 -77.340 1.00 63.30 N ATOM 472 CA ALA A 33 35.838 -37.386 -78.295 1.00 34.33 C ATOM 473 C ALA A 33 34.450 -37.812 -77.825 1.00 45.24 C ATOM 474 O ALA A 33 34.095 -37.630 -76.662 1.00 1.32 O ATOM 475 CB ALA A 33 36.721 -38.606 -78.512 1.00 33.11 C ATOM 0 HA ALA A 33 35.727 -36.859 -79.243 1.00 34.33 H new ATOM 0 HB1 ALA A 33 36.245 -39.277 -79.227 1.00 33.11 H new ATOM 0 HB2 ALA A 33 37.690 -38.290 -78.899 1.00 33.11 H new ATOM 0 HB3 ALA A 33 36.862 -39.127 -77.565 1.00 33.11 H new ATOM 481 N GLY A 34 33.670 -38.379 -78.740 1.00 35.42 N ATOM 482 CA GLY A 34 32.330 -38.821 -78.400 1.00 34.00 C ATOM 483 C GLY A 34 32.309 -39.730 -77.187 1.00 52.01 C ATOM 484 O GLY A 34 31.403 -39.649 -76.358 1.00 3.12 O ATOM 0 H GLY A 34 33.942 -38.540 -79.710 1.00 35.42 H new ATOM 0 HA2 GLY A 34 31.701 -37.951 -78.209 1.00 34.00 H new ATOM 0 HA3 GLY A 34 31.897 -39.346 -79.251 1.00 34.00 H new ATOM 488 N ALA A 35 33.309 -40.599 -77.084 1.00 32.30 N ATOM 489 CA ALA A 35 33.402 -41.527 -75.964 1.00 32.23 C ATOM 490 C ALA A 35 33.499 -40.779 -74.638 1.00 61.52 C ATOM 491 O ALA A 35 33.113 -41.300 -73.591 1.00 61.44 O ATOM 492 CB ALA A 35 34.599 -42.450 -76.141 1.00 13.35 C ATOM 0 H ALA A 35 34.066 -40.680 -77.763 1.00 32.30 H new ATOM 0 HA ALA A 35 32.493 -42.129 -75.946 1.00 32.23 H new ATOM 0 HB1 ALA A 35 34.656 -43.138 -75.297 1.00 13.35 H new ATOM 0 HB2 ALA A 35 34.487 -43.018 -77.065 1.00 13.35 H new ATOM 0 HB3 ALA A 35 35.512 -41.857 -76.188 1.00 13.35 H new ATOM 498 N ILE A 36 34.017 -39.557 -74.691 1.00 24.15 N ATOM 499 CA ILE A 36 34.165 -38.739 -73.494 1.00 13.55 C ATOM 500 C ILE A 36 32.849 -38.642 -72.728 1.00 63.41 C ATOM 501 O ILE A 36 32.838 -38.544 -71.501 1.00 33.52 O ATOM 502 CB ILE A 36 34.650 -37.318 -73.839 1.00 34.20 C ATOM 503 CG1 ILE A 36 35.458 -36.735 -72.678 1.00 32.21 C ATOM 504 CG2 ILE A 36 33.467 -36.421 -74.171 1.00 51.14 C ATOM 505 CD1 ILE A 36 36.413 -35.639 -73.097 1.00 35.15 C ATOM 0 H ILE A 36 34.341 -39.112 -75.550 1.00 24.15 H new ATOM 0 HA ILE A 36 34.912 -39.228 -72.869 1.00 13.55 H new ATOM 0 HB ILE A 36 35.296 -37.373 -74.715 1.00 34.20 H new ATOM 0 HG12 ILE A 36 34.771 -36.340 -71.930 1.00 32.21 H new ATOM 0 HG13 ILE A 36 36.023 -37.536 -72.201 1.00 32.21 H new ATOM 0 HG21 ILE A 36 33.826 -35.420 -74.413 1.00 51.14 H new ATOM 0 HG22 ILE A 36 32.929 -36.830 -75.026 1.00 51.14 H new ATOM 0 HG23 ILE A 36 32.798 -36.369 -73.312 1.00 51.14 H new ATOM 0 HD11 ILE A 36 36.952 -35.273 -72.223 1.00 35.15 H new ATOM 0 HD12 ILE A 36 37.124 -36.034 -73.823 1.00 35.15 H new ATOM 0 HD13 ILE A 36 35.852 -34.820 -73.547 1.00 35.15 H new ATOM 517 N LYS A 37 31.741 -38.673 -73.461 1.00 3.43 N ATOM 518 CA LYS A 37 30.419 -38.592 -72.852 1.00 73.23 C ATOM 519 C LYS A 37 30.133 -39.828 -72.005 1.00 62.35 C ATOM 520 O LYS A 37 29.521 -39.736 -70.942 1.00 13.22 O ATOM 521 CB LYS A 37 29.346 -38.443 -73.933 1.00 53.51 C ATOM 522 CG LYS A 37 28.853 -37.016 -74.108 1.00 32.45 C ATOM 523 CD LYS A 37 27.586 -36.763 -73.308 1.00 52.30 C ATOM 524 CE LYS A 37 27.533 -35.335 -72.786 1.00 54.02 C ATOM 525 NZ LYS A 37 26.491 -35.167 -71.735 1.00 25.12 N ATOM 0 H LYS A 37 31.733 -38.754 -74.478 1.00 3.43 H new ATOM 0 HA LYS A 37 30.398 -37.716 -72.204 1.00 73.23 H new ATOM 0 HB2 LYS A 37 29.746 -38.799 -74.882 1.00 53.51 H new ATOM 0 HB3 LYS A 37 28.500 -39.083 -73.684 1.00 53.51 H new ATOM 0 HG2 LYS A 37 29.630 -36.320 -73.791 1.00 32.45 H new ATOM 0 HG3 LYS A 37 28.663 -36.822 -75.164 1.00 32.45 H new ATOM 0 HD2 LYS A 37 26.715 -36.955 -73.934 1.00 52.30 H new ATOM 0 HD3 LYS A 37 27.537 -37.460 -72.471 1.00 52.30 H new ATOM 0 HE2 LYS A 37 28.506 -35.061 -72.379 1.00 54.02 H new ATOM 0 HE3 LYS A 37 27.329 -34.654 -73.612 1.00 54.02 H new ATOM 0 HZ1 LYS A 37 26.486 -34.181 -71.405 1.00 25.12 H new ATOM 0 HZ2 LYS A 37 25.558 -35.404 -72.130 1.00 25.12 H new ATOM 0 HZ3 LYS A 37 26.699 -35.798 -70.935 1.00 25.12 H new ATOM 539 N SER A 38 30.582 -40.984 -72.484 1.00 23.43 N ATOM 540 CA SER A 38 30.373 -42.239 -71.771 1.00 71.44 C ATOM 541 C SER A 38 31.107 -42.234 -70.434 1.00 0.10 C ATOM 542 O SER A 38 30.538 -42.580 -69.398 1.00 64.54 O ATOM 543 CB SER A 38 30.848 -43.419 -72.622 1.00 42.32 C ATOM 544 OG SER A 38 30.058 -43.556 -73.790 1.00 74.31 O ATOM 0 H SER A 38 31.092 -41.077 -73.362 1.00 23.43 H new ATOM 0 HA SER A 38 29.305 -42.345 -71.579 1.00 71.44 H new ATOM 0 HB2 SER A 38 31.892 -43.274 -72.900 1.00 42.32 H new ATOM 0 HB3 SER A 38 30.799 -44.337 -72.036 1.00 42.32 H new ATOM 0 HG SER A 38 29.545 -44.390 -73.742 1.00 74.31 H new ATOM 550 N LYS A 39 32.375 -41.838 -70.464 1.00 0.10 N ATOM 551 CA LYS A 39 33.189 -41.785 -69.256 1.00 24.13 C ATOM 552 C LYS A 39 32.634 -40.762 -68.270 1.00 20.55 C ATOM 553 O LYS A 39 32.716 -40.948 -67.055 1.00 45.23 O ATOM 554 CB LYS A 39 34.638 -41.436 -69.607 1.00 34.52 C ATOM 555 CG LYS A 39 34.784 -40.117 -70.344 1.00 52.32 C ATOM 556 CD LYS A 39 36.242 -39.710 -70.476 1.00 20.20 C ATOM 557 CE LYS A 39 36.543 -38.449 -69.681 1.00 22.25 C ATOM 558 NZ LYS A 39 37.997 -38.311 -69.390 1.00 1.13 N ATOM 0 H LYS A 39 32.861 -41.549 -71.313 1.00 0.10 H new ATOM 0 HA LYS A 39 33.162 -42.768 -68.787 1.00 24.13 H new ATOM 0 HB2 LYS A 39 35.226 -41.397 -68.690 1.00 34.52 H new ATOM 0 HB3 LYS A 39 35.057 -42.234 -70.221 1.00 34.52 H new ATOM 0 HG2 LYS A 39 34.338 -40.202 -71.335 1.00 52.32 H new ATOM 0 HG3 LYS A 39 34.235 -39.340 -69.813 1.00 52.32 H new ATOM 0 HD2 LYS A 39 36.880 -40.522 -70.128 1.00 20.20 H new ATOM 0 HD3 LYS A 39 36.481 -39.545 -71.527 1.00 20.20 H new ATOM 0 HE2 LYS A 39 36.200 -37.578 -70.239 1.00 22.25 H new ATOM 0 HE3 LYS A 39 35.985 -38.468 -68.745 1.00 22.25 H new ATOM 0 HZ1 LYS A 39 38.159 -37.448 -68.832 1.00 1.13 H new ATOM 0 HZ2 LYS A 39 38.323 -39.138 -68.851 1.00 1.13 H new ATOM 0 HZ3 LYS A 39 38.526 -38.250 -70.284 1.00 1.13 H new ATOM 572 N VAL A 40 32.067 -39.683 -68.799 1.00 71.35 N ATOM 573 CA VAL A 40 31.495 -38.633 -67.966 1.00 3.42 C ATOM 574 C VAL A 40 30.392 -39.182 -67.069 1.00 55.21 C ATOM 575 O VAL A 40 30.289 -38.815 -65.899 1.00 43.11 O ATOM 576 CB VAL A 40 30.924 -37.486 -68.821 1.00 70.00 C ATOM 577 CG1 VAL A 40 30.041 -36.579 -67.977 1.00 45.12 C ATOM 578 CG2 VAL A 40 32.049 -36.695 -69.471 1.00 1.23 C ATOM 0 H VAL A 40 31.992 -39.513 -69.802 1.00 71.35 H new ATOM 0 HA VAL A 40 32.304 -38.246 -67.346 1.00 3.42 H new ATOM 0 HB VAL A 40 30.310 -37.917 -69.612 1.00 70.00 H new ATOM 0 HG11 VAL A 40 29.647 -35.775 -68.598 1.00 45.12 H new ATOM 0 HG12 VAL A 40 29.214 -37.157 -67.564 1.00 45.12 H new ATOM 0 HG13 VAL A 40 30.628 -36.154 -67.163 1.00 45.12 H new ATOM 0 HG21 VAL A 40 31.627 -35.889 -70.071 1.00 1.23 H new ATOM 0 HG22 VAL A 40 32.692 -36.274 -68.698 1.00 1.23 H new ATOM 0 HG23 VAL A 40 32.635 -37.355 -70.110 1.00 1.23 H new ATOM 588 N GLU A 41 29.568 -40.064 -67.627 1.00 13.15 N ATOM 589 CA GLU A 41 28.471 -40.664 -66.876 1.00 54.32 C ATOM 590 C GLU A 41 28.983 -41.330 -65.603 1.00 32.24 C ATOM 591 O GLU A 41 28.318 -41.308 -64.567 1.00 71.14 O ATOM 592 CB GLU A 41 27.733 -41.689 -67.740 1.00 50.31 C ATOM 593 CG GLU A 41 27.364 -41.169 -69.120 1.00 30.25 C ATOM 594 CD GLU A 41 26.846 -39.744 -69.087 1.00 30.50 C ATOM 595 OE1 GLU A 41 26.094 -39.407 -68.149 1.00 71.30 O ATOM 596 OE2 GLU A 41 27.193 -38.967 -70.000 1.00 44.43 O ATOM 0 H GLU A 41 29.639 -40.378 -68.595 1.00 13.15 H new ATOM 0 HA GLU A 41 27.779 -39.870 -66.596 1.00 54.32 H new ATOM 0 HB2 GLU A 41 28.357 -42.576 -67.850 1.00 50.31 H new ATOM 0 HB3 GLU A 41 26.825 -42.001 -67.224 1.00 50.31 H new ATOM 0 HG2 GLU A 41 28.238 -41.219 -69.769 1.00 30.25 H new ATOM 0 HG3 GLU A 41 26.605 -41.818 -69.558 1.00 30.25 H new ATOM 603 N ALA A 42 30.169 -41.923 -65.688 1.00 43.20 N ATOM 604 CA ALA A 42 30.772 -42.594 -64.543 1.00 70.33 C ATOM 605 C ALA A 42 31.179 -41.591 -63.470 1.00 2.32 C ATOM 606 O ALA A 42 31.334 -41.946 -62.302 1.00 1.42 O ATOM 607 CB ALA A 42 31.975 -43.414 -64.986 1.00 31.34 C ATOM 0 H ALA A 42 30.732 -41.952 -66.538 1.00 43.20 H new ATOM 0 HA ALA A 42 30.028 -43.264 -64.112 1.00 70.33 H new ATOM 0 HB1 ALA A 42 32.416 -43.910 -64.121 1.00 31.34 H new ATOM 0 HB2 ALA A 42 31.657 -44.163 -65.711 1.00 31.34 H new ATOM 0 HB3 ALA A 42 32.715 -42.757 -65.444 1.00 31.34 H new ATOM 613 N ALA A 43 31.352 -40.336 -63.874 1.00 32.50 N ATOM 614 CA ALA A 43 31.740 -39.281 -62.946 1.00 71.51 C ATOM 615 C ALA A 43 30.695 -39.102 -61.850 1.00 72.51 C ATOM 616 O ALA A 43 31.002 -38.626 -60.757 1.00 23.25 O ATOM 617 CB ALA A 43 31.953 -37.973 -63.693 1.00 61.44 C ATOM 0 H ALA A 43 31.229 -40.026 -64.838 1.00 32.50 H new ATOM 0 HA ALA A 43 32.678 -39.574 -62.473 1.00 71.51 H new ATOM 0 HB1 ALA A 43 32.242 -37.194 -62.988 1.00 61.44 H new ATOM 0 HB2 ALA A 43 32.741 -38.102 -64.435 1.00 61.44 H new ATOM 0 HB3 ALA A 43 31.028 -37.685 -64.193 1.00 61.44 H new ATOM 623 N LEU A 44 29.459 -39.486 -62.150 1.00 13.13 N ATOM 624 CA LEU A 44 28.367 -39.367 -61.189 1.00 71.14 C ATOM 625 C LEU A 44 28.654 -40.186 -59.935 1.00 13.32 C ATOM 626 O LEU A 44 28.090 -39.928 -58.871 1.00 60.32 O ATOM 627 CB LEU A 44 27.052 -39.827 -61.823 1.00 4.44 C ATOM 628 CG LEU A 44 26.307 -38.782 -62.654 1.00 33.11 C ATOM 629 CD1 LEU A 44 25.877 -37.613 -61.781 1.00 42.15 C ATOM 630 CD2 LEU A 44 27.175 -38.299 -63.807 1.00 33.22 C ATOM 0 H LEU A 44 29.188 -39.882 -63.050 1.00 13.13 H new ATOM 0 HA LEU A 44 28.279 -38.319 -60.903 1.00 71.14 H new ATOM 0 HB2 LEU A 44 27.260 -40.687 -62.459 1.00 4.44 H new ATOM 0 HB3 LEU A 44 26.389 -40.170 -61.029 1.00 4.44 H new ATOM 0 HG LEU A 44 25.413 -39.246 -63.069 1.00 33.11 H new ATOM 0 HD11 LEU A 44 25.348 -36.879 -62.390 1.00 42.15 H new ATOM 0 HD12 LEU A 44 25.217 -37.972 -60.991 1.00 42.15 H new ATOM 0 HD13 LEU A 44 26.757 -37.149 -61.336 1.00 42.15 H new ATOM 0 HD21 LEU A 44 26.628 -37.556 -64.387 1.00 33.22 H new ATOM 0 HD22 LEU A 44 28.088 -37.852 -63.413 1.00 33.22 H new ATOM 0 HD23 LEU A 44 27.431 -39.143 -64.448 1.00 33.22 H new ATOM 642 N SER A 45 29.535 -41.172 -60.066 1.00 43.34 N ATOM 643 CA SER A 45 29.896 -42.029 -58.944 1.00 23.44 C ATOM 644 C SER A 45 31.331 -41.766 -58.498 1.00 3.52 C ATOM 645 O SER A 45 32.143 -41.202 -59.232 1.00 51.31 O ATOM 646 CB SER A 45 29.731 -43.502 -59.326 1.00 4.45 C ATOM 647 OG SER A 45 28.744 -44.129 -58.526 1.00 11.55 O ATOM 0 H SER A 45 30.012 -41.397 -60.939 1.00 43.34 H new ATOM 0 HA SER A 45 29.228 -41.799 -58.114 1.00 23.44 H new ATOM 0 HB2 SER A 45 29.454 -43.579 -60.377 1.00 4.45 H new ATOM 0 HB3 SER A 45 30.683 -44.020 -59.208 1.00 4.45 H new ATOM 0 HG SER A 45 28.657 -45.068 -58.791 1.00 11.55 H new ATOM 653 N PRO A 46 31.653 -42.183 -57.264 1.00 51.23 N ATOM 654 CA PRO A 46 32.990 -42.003 -56.692 1.00 24.54 C ATOM 655 C PRO A 46 34.034 -42.886 -57.368 1.00 52.13 C ATOM 656 O PRO A 46 34.167 -44.067 -57.046 1.00 72.14 O ATOM 657 CB PRO A 46 32.808 -42.416 -55.229 1.00 22.50 C ATOM 658 CG PRO A 46 31.646 -43.349 -55.240 1.00 42.35 C ATOM 659 CD PRO A 46 30.736 -42.862 -56.334 1.00 32.21 C ATOM 0 HA PRO A 46 33.354 -40.984 -56.820 1.00 24.54 H new ATOM 0 HB2 PRO A 46 33.703 -42.903 -54.841 1.00 22.50 H new ATOM 0 HB3 PRO A 46 32.615 -41.551 -54.595 1.00 22.50 H new ATOM 0 HG2 PRO A 46 31.969 -44.373 -55.428 1.00 42.35 H new ATOM 0 HG3 PRO A 46 31.135 -43.348 -54.277 1.00 42.35 H new ATOM 0 HD2 PRO A 46 30.212 -43.686 -56.817 1.00 32.21 H new ATOM 0 HD3 PRO A 46 29.976 -42.181 -55.951 1.00 32.21 H new ATOM 667 N THR A 47 34.774 -42.305 -58.308 1.00 74.30 N ATOM 668 CA THR A 47 35.805 -43.039 -59.031 1.00 31.04 C ATOM 669 C THR A 47 36.575 -42.121 -59.973 1.00 75.03 C ATOM 670 O THR A 47 36.405 -40.902 -59.944 1.00 41.43 O ATOM 671 CB THR A 47 35.203 -44.202 -59.842 1.00 40.43 C ATOM 672 OG1 THR A 47 36.244 -45.074 -60.295 1.00 5.10 O ATOM 673 CG2 THR A 47 34.418 -43.679 -61.036 1.00 11.22 C ATOM 0 H THR A 47 34.678 -41.328 -58.586 1.00 74.30 H new ATOM 0 HA THR A 47 36.488 -43.443 -58.284 1.00 31.04 H new ATOM 0 HB THR A 47 34.523 -44.755 -59.193 1.00 40.43 H new ATOM 0 HG1 THR A 47 37.069 -44.882 -59.802 1.00 5.10 H new ATOM 0 HG21 THR A 47 34.002 -44.518 -61.594 1.00 11.22 H new ATOM 0 HG22 THR A 47 33.608 -43.038 -60.687 1.00 11.22 H new ATOM 0 HG23 THR A 47 35.081 -43.105 -61.684 1.00 11.22 H new ATOM 681 N HIS A 48 37.421 -42.714 -60.809 1.00 72.05 N ATOM 682 CA HIS A 48 38.216 -41.948 -61.763 1.00 21.52 C ATOM 683 C HIS A 48 38.062 -42.510 -63.173 1.00 44.22 C ATOM 684 O HIS A 48 37.899 -43.716 -63.358 1.00 23.12 O ATOM 685 CB HIS A 48 39.690 -41.959 -61.355 1.00 34.42 C ATOM 686 CG HIS A 48 40.548 -41.056 -62.186 1.00 60.40 C ATOM 687 ND1 HIS A 48 40.267 -39.721 -62.381 1.00 2.41 N ATOM 688 CD2 HIS A 48 41.688 -41.304 -62.873 1.00 55.14 C ATOM 689 CE1 HIS A 48 41.196 -39.186 -63.154 1.00 13.14 C ATOM 690 NE2 HIS A 48 42.070 -40.126 -63.466 1.00 13.41 N ATOM 0 H HIS A 48 37.574 -43.722 -60.845 1.00 72.05 H new ATOM 0 HA HIS A 48 37.853 -40.920 -61.759 1.00 21.52 H new ATOM 0 HB2 HIS A 48 39.771 -41.663 -60.309 1.00 34.42 H new ATOM 0 HB3 HIS A 48 40.071 -42.978 -61.428 1.00 34.42 H new ATOM 0 HD2 HIS A 48 42.201 -42.252 -62.942 1.00 55.14 H new ATOM 0 HE1 HIS A 48 41.234 -38.156 -63.476 1.00 13.14 H new ATOM 0 HE2 HIS A 48 42.895 -39.998 -64.052 1.00 13.41 H new ATOM 698 N PHE A 49 38.115 -41.627 -64.165 1.00 74.11 N ATOM 699 CA PHE A 49 37.979 -42.034 -65.559 1.00 23.32 C ATOM 700 C PHE A 49 39.104 -41.449 -66.408 1.00 70.30 C ATOM 701 O PHE A 49 39.429 -40.267 -66.300 1.00 12.42 O ATOM 702 CB PHE A 49 36.624 -41.591 -66.112 1.00 75.15 C ATOM 703 CG PHE A 49 36.196 -40.233 -65.634 1.00 74.20 C ATOM 704 CD1 PHE A 49 36.595 -39.090 -66.306 1.00 43.55 C ATOM 705 CD2 PHE A 49 35.393 -40.100 -64.512 1.00 62.43 C ATOM 706 CE1 PHE A 49 36.204 -37.839 -65.868 1.00 15.22 C ATOM 707 CE2 PHE A 49 34.998 -38.852 -64.069 1.00 71.21 C ATOM 708 CZ PHE A 49 35.403 -37.720 -64.749 1.00 32.15 C ATOM 0 H PHE A 49 38.251 -40.625 -64.029 1.00 74.11 H new ATOM 0 HA PHE A 49 38.043 -43.121 -65.602 1.00 23.32 H new ATOM 0 HB2 PHE A 49 36.669 -41.586 -67.201 1.00 75.15 H new ATOM 0 HB3 PHE A 49 35.868 -42.323 -65.827 1.00 75.15 H new ATOM 0 HD1 PHE A 49 37.219 -39.177 -67.183 1.00 43.55 H new ATOM 0 HD2 PHE A 49 35.072 -40.982 -63.978 1.00 62.43 H new ATOM 0 HE1 PHE A 49 36.524 -36.955 -66.400 1.00 15.22 H new ATOM 0 HE2 PHE A 49 34.374 -38.762 -63.192 1.00 71.21 H new ATOM 0 HZ PHE A 49 35.094 -36.744 -64.406 1.00 32.15 H new ATOM 718 N LYS A 50 39.696 -42.286 -67.253 1.00 73.43 N ATOM 719 CA LYS A 50 40.784 -41.855 -68.123 1.00 12.34 C ATOM 720 C LYS A 50 40.500 -42.227 -69.575 1.00 5.45 C ATOM 721 O LYS A 50 40.393 -43.406 -69.914 1.00 53.44 O ATOM 722 CB LYS A 50 42.104 -42.484 -67.672 1.00 41.22 C ATOM 723 CG LYS A 50 43.295 -42.073 -68.521 1.00 54.31 C ATOM 724 CD LYS A 50 44.186 -43.260 -68.844 1.00 73.25 C ATOM 725 CE LYS A 50 45.579 -42.815 -69.261 1.00 0.41 C ATOM 726 NZ LYS A 50 46.413 -42.433 -68.088 1.00 10.32 N ATOM 0 H LYS A 50 39.440 -43.268 -67.354 1.00 73.43 H new ATOM 0 HA LYS A 50 40.863 -40.770 -68.054 1.00 12.34 H new ATOM 0 HB2 LYS A 50 42.294 -42.206 -66.635 1.00 41.22 H new ATOM 0 HB3 LYS A 50 42.007 -43.569 -67.698 1.00 41.22 H new ATOM 0 HG2 LYS A 50 42.943 -41.619 -69.447 1.00 54.31 H new ATOM 0 HG3 LYS A 50 43.874 -41.315 -67.994 1.00 54.31 H new ATOM 0 HD2 LYS A 50 44.257 -43.911 -67.972 1.00 73.25 H new ATOM 0 HD3 LYS A 50 43.736 -43.847 -69.645 1.00 73.25 H new ATOM 0 HE2 LYS A 50 46.069 -43.620 -69.808 1.00 0.41 H new ATOM 0 HE3 LYS A 50 45.501 -41.968 -69.943 1.00 0.41 H new ATOM 0 HZ1 LYS A 50 47.107 -41.714 -68.375 1.00 10.32 H new ATOM 0 HZ2 LYS A 50 45.803 -42.047 -67.340 1.00 10.32 H new ATOM 0 HZ3 LYS A 50 46.912 -43.272 -67.729 1.00 10.32 H new ATOM 740 N LEU A 51 40.382 -41.215 -70.427 1.00 42.12 N ATOM 741 CA LEU A 51 40.113 -41.436 -71.844 1.00 10.31 C ATOM 742 C LEU A 51 41.170 -40.759 -72.711 1.00 31.21 C ATOM 743 O LEU A 51 41.360 -39.545 -72.641 1.00 14.53 O ATOM 744 CB LEU A 51 38.724 -40.908 -72.208 1.00 1.24 C ATOM 745 CG LEU A 51 38.234 -41.227 -73.620 1.00 54.23 C ATOM 746 CD1 LEU A 51 36.856 -41.869 -73.575 1.00 20.44 C ATOM 747 CD2 LEU A 51 38.208 -39.967 -74.473 1.00 44.14 C ATOM 0 H LEU A 51 40.468 -40.234 -70.162 1.00 42.12 H new ATOM 0 HA LEU A 51 40.148 -42.509 -72.032 1.00 10.31 H new ATOM 0 HB2 LEU A 51 38.005 -41.313 -71.495 1.00 1.24 H new ATOM 0 HB3 LEU A 51 38.724 -39.825 -72.081 1.00 1.24 H new ATOM 0 HG LEU A 51 38.928 -41.935 -74.073 1.00 54.23 H new ATOM 0 HD11 LEU A 51 36.524 -42.089 -74.590 1.00 20.44 H new ATOM 0 HD12 LEU A 51 36.904 -42.794 -73.000 1.00 20.44 H new ATOM 0 HD13 LEU A 51 36.151 -41.185 -73.103 1.00 20.44 H new ATOM 0 HD21 LEU A 51 37.857 -40.213 -75.475 1.00 44.14 H new ATOM 0 HD22 LEU A 51 37.536 -39.236 -74.022 1.00 44.14 H new ATOM 0 HD23 LEU A 51 39.212 -39.548 -74.534 1.00 44.14 H new ATOM 759 N ILE A 52 41.853 -41.553 -73.529 1.00 2.42 N ATOM 760 CA ILE A 52 42.888 -41.030 -74.412 1.00 2.52 C ATOM 761 C ILE A 52 42.579 -41.348 -75.871 1.00 31.24 C ATOM 762 O ILE A 52 42.579 -42.510 -76.276 1.00 53.30 O ATOM 763 CB ILE A 52 44.273 -41.601 -74.056 1.00 4.32 C ATOM 764 CG1 ILE A 52 44.236 -43.130 -74.063 1.00 71.34 C ATOM 765 CG2 ILE A 52 44.727 -41.083 -72.699 1.00 31.31 C ATOM 766 CD1 ILE A 52 45.078 -43.750 -75.156 1.00 44.02 C ATOM 0 H ILE A 52 41.708 -42.560 -73.598 1.00 2.42 H new ATOM 0 HA ILE A 52 42.903 -39.949 -74.274 1.00 2.52 H new ATOM 0 HB ILE A 52 44.990 -41.270 -74.808 1.00 4.32 H new ATOM 0 HG12 ILE A 52 44.581 -43.498 -73.097 1.00 71.34 H new ATOM 0 HG13 ILE A 52 43.204 -43.460 -74.180 1.00 71.34 H new ATOM 0 HG21 ILE A 52 45.708 -41.496 -72.462 1.00 31.31 H new ATOM 0 HG22 ILE A 52 44.788 -39.995 -72.727 1.00 31.31 H new ATOM 0 HG23 ILE A 52 44.011 -41.387 -71.935 1.00 31.31 H new ATOM 0 HD11 ILE A 52 45.004 -44.836 -75.100 1.00 44.02 H new ATOM 0 HD12 ILE A 52 44.719 -43.411 -76.128 1.00 44.02 H new ATOM 0 HD13 ILE A 52 46.118 -43.450 -75.028 1.00 44.02 H new ATOM 778 N ASN A 53 42.318 -40.308 -76.655 1.00 55.13 N ATOM 779 CA ASN A 53 42.008 -40.477 -78.070 1.00 51.35 C ATOM 780 C ASN A 53 43.121 -39.904 -78.943 1.00 31.31 C ATOM 781 O ASN A 53 43.512 -38.747 -78.788 1.00 24.40 O ATOM 782 CB ASN A 53 40.679 -39.797 -78.408 1.00 4.31 C ATOM 783 CG ASN A 53 40.861 -38.581 -79.296 1.00 63.24 C ATOM 784 OD1 ASN A 53 40.860 -37.445 -78.821 1.00 64.53 O ATOM 785 ND2 ASN A 53 41.018 -38.815 -80.594 1.00 64.40 N ATOM 0 H ASN A 53 42.315 -39.339 -76.335 1.00 55.13 H new ATOM 0 HA ASN A 53 41.924 -41.545 -78.272 1.00 51.35 H new ATOM 0 HB2 ASN A 53 40.024 -40.512 -78.906 1.00 4.31 H new ATOM 0 HB3 ASN A 53 40.182 -39.498 -77.485 1.00 4.31 H new ATOM 0 HD21 ASN A 53 41.144 -38.037 -81.241 1.00 64.40 H new ATOM 0 HD22 ASN A 53 41.012 -39.773 -80.944 1.00 64.40 H new ATOM 792 N ASP A 54 43.626 -40.722 -79.860 1.00 73.11 N ATOM 793 CA ASP A 54 44.693 -40.297 -80.759 1.00 34.40 C ATOM 794 C ASP A 54 44.159 -40.082 -82.172 1.00 1.32 C ATOM 795 O ASP A 54 44.492 -39.095 -82.828 1.00 4.11 O ATOM 796 CB ASP A 54 45.816 -41.335 -80.778 1.00 1.04 C ATOM 797 CG ASP A 54 47.108 -40.800 -80.191 1.00 33.43 C ATOM 798 OD1 ASP A 54 47.064 -40.233 -79.079 1.00 72.22 O ATOM 799 OD2 ASP A 54 48.162 -40.948 -80.843 1.00 64.43 O ATOM 0 H ASP A 54 43.314 -41.683 -80.000 1.00 73.11 H new ATOM 0 HA ASP A 54 45.089 -39.351 -80.391 1.00 34.40 H new ATOM 0 HB2 ASP A 54 45.503 -42.216 -80.217 1.00 1.04 H new ATOM 0 HB3 ASP A 54 45.992 -41.657 -81.804 1.00 1.04 H new ATOM 804 N SER A 55 43.330 -41.012 -82.634 1.00 41.03 N ATOM 805 CA SER A 55 42.754 -40.926 -83.971 1.00 62.33 C ATOM 806 C SER A 55 43.838 -40.673 -85.014 1.00 64.15 C ATOM 807 O SER A 55 45.031 -40.773 -84.724 1.00 50.51 O ATOM 808 CB SER A 55 41.706 -39.813 -84.028 1.00 23.12 C ATOM 809 OG SER A 55 40.568 -40.221 -84.767 1.00 62.11 O ATOM 0 H SER A 55 43.042 -41.834 -82.103 1.00 41.03 H new ATOM 0 HA SER A 55 42.274 -41.879 -84.195 1.00 62.33 H new ATOM 0 HB2 SER A 55 41.407 -39.539 -83.016 1.00 23.12 H new ATOM 0 HB3 SER A 55 42.140 -38.924 -84.485 1.00 23.12 H new ATOM 0 HG SER A 55 39.774 -40.181 -84.194 1.00 62.11 H new ATOM 815 N HIS A 56 43.415 -40.345 -86.231 1.00 60.22 N ATOM 816 CA HIS A 56 44.349 -40.077 -87.319 1.00 51.20 C ATOM 817 C HIS A 56 44.010 -38.761 -88.014 1.00 22.25 C ATOM 818 O HIS A 56 43.017 -38.112 -87.686 1.00 50.41 O ATOM 819 CB HIS A 56 44.327 -41.222 -88.332 1.00 5.01 C ATOM 820 CG HIS A 56 43.116 -41.220 -89.212 1.00 70.25 C ATOM 821 ND1 HIS A 56 43.110 -41.751 -90.485 1.00 51.43 N ATOM 822 CD2 HIS A 56 41.865 -40.750 -88.996 1.00 42.15 C ATOM 823 CE1 HIS A 56 41.908 -41.605 -91.015 1.00 24.12 C ATOM 824 NE2 HIS A 56 41.134 -41.001 -90.131 1.00 61.05 N ATOM 0 H HIS A 56 42.432 -40.258 -86.488 1.00 60.22 H new ATOM 0 HA HIS A 56 45.350 -39.997 -86.894 1.00 51.20 H new ATOM 0 HB2 HIS A 56 45.219 -41.162 -88.955 1.00 5.01 H new ATOM 0 HB3 HIS A 56 44.376 -42.170 -87.797 1.00 5.01 H new ATOM 0 HD2 HIS A 56 41.508 -40.267 -88.098 1.00 42.15 H new ATOM 0 HE1 HIS A 56 41.609 -41.925 -92.002 1.00 24.12 H new ATOM 0 HE2 HIS A 56 40.153 -40.760 -90.269 1.00 61.05 H new ATOM 1069 N THR A 75 45.851 -49.713 -81.939 1.00 13.45 N ATOM 1070 CA THR A 75 44.960 -49.104 -80.958 1.00 70.34 C ATOM 1071 C THR A 75 45.433 -47.706 -80.579 1.00 52.41 C ATOM 1072 O THR A 75 46.568 -47.521 -80.139 1.00 31.23 O ATOM 1073 CB THR A 75 44.858 -49.963 -79.683 1.00 54.44 C ATOM 1074 OG1 THR A 75 45.888 -49.594 -78.760 1.00 44.44 O ATOM 1075 CG2 THR A 75 44.974 -51.442 -80.016 1.00 71.44 C ATOM 0 HA THR A 75 43.976 -49.038 -81.422 1.00 70.34 H new ATOM 0 HB THR A 75 43.883 -49.785 -79.229 1.00 54.44 H new ATOM 0 HG1 THR A 75 46.639 -49.197 -79.249 1.00 44.44 H new ATOM 0 HG21 THR A 75 44.899 -52.028 -79.100 1.00 71.44 H new ATOM 0 HG22 THR A 75 44.170 -51.726 -80.695 1.00 71.44 H new ATOM 0 HG23 THR A 75 45.936 -51.634 -80.492 1.00 71.44 H new ATOM 1083 N HIS A 76 44.555 -46.722 -80.752 1.00 64.10 N ATOM 1084 CA HIS A 76 44.884 -45.339 -80.426 1.00 55.21 C ATOM 1085 C HIS A 76 43.949 -44.798 -79.349 1.00 34.04 C ATOM 1086 O HIS A 76 44.235 -43.781 -78.717 1.00 24.04 O ATOM 1087 CB HIS A 76 44.799 -44.464 -81.677 1.00 53.02 C ATOM 1088 CG HIS A 76 46.086 -44.380 -82.438 1.00 4.34 C ATOM 1089 ND1 HIS A 76 47.168 -45.195 -82.179 1.00 0.24 N ATOM 1090 CD2 HIS A 76 46.462 -43.571 -83.456 1.00 73.22 C ATOM 1091 CE1 HIS A 76 48.154 -44.890 -83.004 1.00 34.12 C ATOM 1092 NE2 HIS A 76 47.750 -43.908 -83.790 1.00 25.21 N ATOM 0 H HIS A 76 43.612 -46.857 -81.116 1.00 64.10 H new ATOM 0 HA HIS A 76 45.904 -45.315 -80.043 1.00 55.21 H new ATOM 0 HB2 HIS A 76 44.023 -44.858 -82.334 1.00 53.02 H new ATOM 0 HB3 HIS A 76 44.492 -43.459 -81.387 1.00 53.02 H new ATOM 0 HD1 HIS A 76 47.202 -45.920 -81.462 1.00 0.24 H new ATOM 0 HD2 HIS A 76 45.860 -42.803 -83.919 1.00 73.22 H new ATOM 0 HE1 HIS A 76 49.125 -45.363 -83.031 1.00 34.12 H new ATOM 1100 N PHE A 77 42.829 -45.484 -79.145 1.00 31.23 N ATOM 1101 CA PHE A 77 41.851 -45.072 -78.145 1.00 12.21 C ATOM 1102 C PHE A 77 41.791 -46.075 -76.997 1.00 12.25 C ATOM 1103 O PHE A 77 41.773 -47.286 -77.216 1.00 53.14 O ATOM 1104 CB PHE A 77 40.468 -44.927 -78.783 1.00 53.11 C ATOM 1105 CG PHE A 77 40.464 -44.074 -80.019 1.00 44.14 C ATOM 1106 CD1 PHE A 77 40.980 -44.557 -81.211 1.00 43.54 C ATOM 1107 CD2 PHE A 77 39.945 -42.790 -79.990 1.00 10.22 C ATOM 1108 CE1 PHE A 77 40.979 -43.773 -82.350 1.00 62.41 C ATOM 1109 CE2 PHE A 77 39.941 -42.002 -81.126 1.00 33.04 C ATOM 1110 CZ PHE A 77 40.458 -42.495 -82.308 1.00 34.15 C ATOM 0 H PHE A 77 42.576 -46.328 -79.659 1.00 31.23 H new ATOM 0 HA PHE A 77 42.162 -44.107 -77.745 1.00 12.21 H new ATOM 0 HB2 PHE A 77 40.087 -45.917 -79.033 1.00 53.11 H new ATOM 0 HB3 PHE A 77 39.783 -44.497 -78.052 1.00 53.11 H new ATOM 0 HD1 PHE A 77 41.387 -45.556 -81.251 1.00 43.54 H new ATOM 0 HD2 PHE A 77 39.538 -42.400 -79.069 1.00 10.22 H new ATOM 0 HE1 PHE A 77 41.386 -44.160 -83.272 1.00 62.41 H new ATOM 0 HE2 PHE A 77 39.534 -41.002 -81.089 1.00 33.04 H new ATOM 0 HZ PHE A 77 40.455 -41.882 -83.197 1.00 34.15 H new ATOM 1120 N ARG A 78 41.761 -45.561 -75.771 1.00 70.12 N ATOM 1121 CA ARG A 78 41.705 -46.411 -74.588 1.00 0.33 C ATOM 1122 C ARG A 78 40.882 -45.753 -73.484 1.00 54.44 C ATOM 1123 O ARG A 78 41.014 -44.556 -73.226 1.00 4.42 O ATOM 1124 CB ARG A 78 43.117 -46.705 -74.078 1.00 60.52 C ATOM 1125 CG ARG A 78 43.292 -46.456 -72.589 1.00 54.11 C ATOM 1126 CD ARG A 78 44.520 -47.168 -72.045 1.00 44.42 C ATOM 1127 NE ARG A 78 45.609 -47.200 -73.018 1.00 24.02 N ATOM 1128 CZ ARG A 78 46.475 -46.206 -73.186 1.00 32.35 C ATOM 1129 NH1 ARG A 78 46.379 -45.108 -72.449 1.00 50.00 N ATOM 1130 NH2 ARG A 78 47.439 -46.310 -74.091 1.00 71.32 N ATOM 0 H ARG A 78 41.775 -44.561 -75.572 1.00 70.12 H new ATOM 0 HA ARG A 78 41.224 -47.348 -74.868 1.00 0.33 H new ATOM 0 HB2 ARG A 78 43.363 -47.744 -74.295 1.00 60.52 H new ATOM 0 HB3 ARG A 78 43.828 -46.088 -74.627 1.00 60.52 H new ATOM 0 HG2 ARG A 78 43.380 -45.385 -72.406 1.00 54.11 H new ATOM 0 HG3 ARG A 78 42.405 -46.798 -72.055 1.00 54.11 H new ATOM 0 HD2 ARG A 78 44.858 -46.666 -71.138 1.00 44.42 H new ATOM 0 HD3 ARG A 78 44.254 -48.187 -71.765 1.00 44.42 H new ATOM 0 HE ARG A 78 45.710 -48.031 -73.601 1.00 24.02 H new ATOM 0 HH11 ARG A 78 45.639 -45.025 -71.751 1.00 50.00 H new ATOM 0 HH12 ARG A 78 47.045 -44.346 -72.580 1.00 50.00 H new ATOM 0 HH21 ARG A 78 47.516 -47.154 -74.659 1.00 71.32 H new ATOM 0 HH22 ARG A 78 48.103 -45.546 -74.219 1.00 71.32 H new ATOM 1144 N LEU A 79 40.031 -46.542 -72.838 1.00 10.23 N ATOM 1145 CA LEU A 79 39.185 -46.036 -71.762 1.00 70.31 C ATOM 1146 C LEU A 79 39.292 -46.920 -70.524 1.00 24.24 C ATOM 1147 O LEU A 79 38.954 -48.103 -70.563 1.00 0.43 O ATOM 1148 CB LEU A 79 37.729 -45.961 -72.224 1.00 73.34 C ATOM 1149 CG LEU A 79 36.792 -45.120 -71.357 1.00 34.42 C ATOM 1150 CD1 LEU A 79 36.483 -45.839 -70.053 1.00 34.41 C ATOM 1151 CD2 LEU A 79 37.402 -43.754 -71.083 1.00 13.53 C ATOM 0 H LEU A 79 39.908 -47.534 -73.040 1.00 10.23 H new ATOM 0 HA LEU A 79 39.530 -45.035 -71.502 1.00 70.31 H new ATOM 0 HB2 LEU A 79 37.711 -45.561 -73.238 1.00 73.34 H new ATOM 0 HB3 LEU A 79 37.332 -46.975 -72.275 1.00 73.34 H new ATOM 0 HG LEU A 79 35.857 -44.976 -71.899 1.00 34.42 H new ATOM 0 HD11 LEU A 79 35.815 -45.225 -69.449 1.00 34.41 H new ATOM 0 HD12 LEU A 79 36.003 -46.794 -70.269 1.00 34.41 H new ATOM 0 HD13 LEU A 79 37.409 -46.014 -69.506 1.00 34.41 H new ATOM 0 HD21 LEU A 79 36.721 -43.169 -70.465 1.00 13.53 H new ATOM 0 HD22 LEU A 79 38.351 -43.877 -70.561 1.00 13.53 H new ATOM 0 HD23 LEU A 79 37.571 -43.235 -72.027 1.00 13.53 H new ATOM 1163 N GLU A 80 39.764 -46.337 -69.426 1.00 34.22 N ATOM 1164 CA GLU A 80 39.914 -47.073 -68.176 1.00 12.44 C ATOM 1165 C GLU A 80 39.465 -46.225 -66.989 1.00 3.15 C ATOM 1166 O GLU A 80 39.662 -45.010 -66.970 1.00 13.34 O ATOM 1167 CB GLU A 80 41.368 -47.507 -67.985 1.00 64.33 C ATOM 1168 CG GLU A 80 41.889 -48.396 -69.102 1.00 61.31 C ATOM 1169 CD GLU A 80 43.354 -48.748 -68.933 1.00 22.34 C ATOM 1170 OE1 GLU A 80 43.945 -48.348 -67.908 1.00 2.23 O ATOM 1171 OE2 GLU A 80 43.910 -49.423 -69.824 1.00 72.40 O ATOM 0 H GLU A 80 40.049 -45.359 -69.377 1.00 34.22 H new ATOM 0 HA GLU A 80 39.282 -47.959 -68.228 1.00 12.44 H new ATOM 0 HB2 GLU A 80 41.997 -46.620 -67.915 1.00 64.33 H new ATOM 0 HB3 GLU A 80 41.459 -48.038 -67.037 1.00 64.33 H new ATOM 0 HG2 GLU A 80 41.301 -49.313 -69.136 1.00 61.31 H new ATOM 0 HG3 GLU A 80 41.748 -47.892 -70.058 1.00 61.31 H new ATOM 1178 N VAL A 81 38.861 -46.875 -65.999 1.00 61.31 N ATOM 1179 CA VAL A 81 38.385 -46.183 -64.808 1.00 13.23 C ATOM 1180 C VAL A 81 38.971 -46.799 -63.543 1.00 32.34 C ATOM 1181 O VAL A 81 39.151 -48.014 -63.456 1.00 31.51 O ATOM 1182 CB VAL A 81 36.848 -46.215 -64.717 1.00 15.12 C ATOM 1183 CG1 VAL A 81 36.229 -46.147 -66.105 1.00 12.03 C ATOM 1184 CG2 VAL A 81 36.384 -47.461 -63.978 1.00 31.21 C ATOM 0 H VAL A 81 38.690 -47.881 -65.999 1.00 61.31 H new ATOM 0 HA VAL A 81 38.715 -45.148 -64.891 1.00 13.23 H new ATOM 0 HB VAL A 81 36.517 -45.342 -64.155 1.00 15.12 H new ATOM 0 HG11 VAL A 81 35.143 -46.171 -66.020 1.00 12.03 H new ATOM 0 HG12 VAL A 81 36.535 -45.222 -66.595 1.00 12.03 H new ATOM 0 HG13 VAL A 81 36.566 -46.999 -66.696 1.00 12.03 H new ATOM 0 HG21 VAL A 81 35.295 -47.467 -63.923 1.00 31.21 H new ATOM 0 HG22 VAL A 81 36.725 -48.348 -64.511 1.00 31.21 H new ATOM 0 HG23 VAL A 81 36.798 -47.461 -62.970 1.00 31.21 H new ATOM 1194 N THR A 82 39.267 -45.953 -62.561 1.00 32.13 N ATOM 1195 CA THR A 82 39.833 -46.414 -61.299 1.00 43.15 C ATOM 1196 C THR A 82 38.923 -46.065 -60.128 1.00 0.43 C ATOM 1197 O THR A 82 38.750 -44.893 -59.791 1.00 61.15 O ATOM 1198 CB THR A 82 41.226 -45.804 -61.053 1.00 11.42 C ATOM 1199 OG1 THR A 82 42.119 -46.179 -62.107 1.00 40.23 O ATOM 1200 CG2 THR A 82 41.789 -46.263 -59.717 1.00 22.34 C ATOM 0 H THR A 82 39.124 -44.945 -62.615 1.00 32.13 H new ATOM 0 HA THR A 82 39.927 -47.498 -61.371 1.00 43.15 H new ATOM 0 HB THR A 82 41.124 -44.719 -61.033 1.00 11.42 H new ATOM 0 HG1 THR A 82 43.002 -45.786 -61.944 1.00 40.23 H new ATOM 0 HG21 THR A 82 42.773 -45.820 -59.565 1.00 22.34 H new ATOM 0 HG22 THR A 82 41.122 -45.949 -58.914 1.00 22.34 H new ATOM 0 HG23 THR A 82 41.876 -47.350 -59.713 1.00 22.34 H new ATOM 1208 N SER A 83 38.344 -47.088 -59.509 1.00 34.33 N ATOM 1209 CA SER A 83 37.448 -46.889 -58.375 1.00 50.44 C ATOM 1210 C SER A 83 38.021 -47.523 -57.112 1.00 31.22 C ATOM 1211 O SER A 83 37.965 -48.740 -56.935 1.00 32.31 O ATOM 1212 CB SER A 83 36.070 -47.480 -58.677 1.00 73.31 C ATOM 1213 OG SER A 83 35.894 -47.681 -60.069 1.00 24.01 O ATOM 0 H SER A 83 38.479 -48.064 -59.773 1.00 34.33 H new ATOM 0 HA SER A 83 37.346 -45.817 -58.208 1.00 50.44 H new ATOM 0 HB2 SER A 83 35.955 -48.428 -58.152 1.00 73.31 H new ATOM 0 HB3 SER A 83 35.294 -46.812 -58.302 1.00 73.31 H new ATOM 0 HG SER A 83 35.951 -46.820 -60.534 1.00 24.01 H new ATOM 1219 N ASP A 84 38.572 -46.690 -56.236 1.00 52.45 N ATOM 1220 CA ASP A 84 39.155 -47.167 -54.988 1.00 73.30 C ATOM 1221 C ASP A 84 40.382 -48.033 -55.257 1.00 53.14 C ATOM 1222 O ASP A 84 40.912 -48.674 -54.351 1.00 4.11 O ATOM 1223 CB ASP A 84 38.121 -47.961 -54.188 1.00 74.45 C ATOM 1224 CG ASP A 84 36.777 -47.263 -54.126 1.00 15.13 C ATOM 1225 OD1 ASP A 84 36.641 -46.307 -53.333 1.00 53.14 O ATOM 1226 OD2 ASP A 84 35.861 -47.672 -54.869 1.00 54.34 O ATOM 0 H ASP A 84 38.627 -45.680 -56.368 1.00 52.45 H new ATOM 0 HA ASP A 84 39.465 -46.299 -54.406 1.00 73.30 H new ATOM 0 HB2 ASP A 84 37.995 -48.946 -54.638 1.00 74.45 H new ATOM 0 HB3 ASP A 84 38.492 -48.119 -53.175 1.00 74.45 H new ATOM 1231 N ALA A 85 40.826 -48.047 -56.510 1.00 2.02 N ATOM 1232 CA ALA A 85 41.991 -48.833 -56.898 1.00 53.23 C ATOM 1233 C ALA A 85 41.950 -50.222 -56.271 1.00 12.04 C ATOM 1234 O ALA A 85 42.619 -50.482 -55.271 1.00 24.42 O ATOM 1235 CB ALA A 85 43.270 -48.111 -56.503 1.00 44.45 C ATOM 0 H ALA A 85 40.397 -47.523 -57.273 1.00 2.02 H new ATOM 0 HA ALA A 85 41.974 -48.952 -57.981 1.00 53.23 H new ATOM 0 HB1 ALA A 85 44.132 -48.709 -56.799 1.00 44.45 H new ATOM 0 HB2 ALA A 85 43.311 -47.144 -57.003 1.00 44.45 H new ATOM 0 HB3 ALA A 85 43.285 -47.962 -55.423 1.00 44.45 H new ATOM 1241 N PHE A 86 41.159 -51.111 -56.863 1.00 44.12 N ATOM 1242 CA PHE A 86 41.030 -52.474 -56.361 1.00 10.33 C ATOM 1243 C PHE A 86 40.039 -53.272 -57.202 1.00 55.23 C ATOM 1244 O PHE A 86 38.837 -53.272 -56.933 1.00 60.44 O ATOM 1245 CB PHE A 86 40.580 -52.460 -54.898 1.00 72.04 C ATOM 1246 CG PHE A 86 41.537 -53.151 -53.970 1.00 60.30 C ATOM 1247 CD1 PHE A 86 41.940 -54.454 -54.214 1.00 22.30 C ATOM 1248 CD2 PHE A 86 42.034 -52.498 -52.854 1.00 21.12 C ATOM 1249 CE1 PHE A 86 42.820 -55.093 -53.361 1.00 3.12 C ATOM 1250 CE2 PHE A 86 42.915 -53.131 -51.997 1.00 72.43 C ATOM 1251 CZ PHE A 86 43.309 -54.430 -52.252 1.00 22.31 C ATOM 0 H PHE A 86 40.598 -50.912 -57.691 1.00 44.12 H new ATOM 0 HA PHE A 86 42.006 -52.954 -56.430 1.00 10.33 H new ATOM 0 HB2 PHE A 86 40.455 -51.427 -54.575 1.00 72.04 H new ATOM 0 HB3 PHE A 86 39.603 -52.938 -54.822 1.00 72.04 H new ATOM 0 HD1 PHE A 86 41.562 -54.976 -55.081 1.00 22.30 H new ATOM 0 HD2 PHE A 86 41.730 -51.482 -52.651 1.00 21.12 H new ATOM 0 HE1 PHE A 86 43.125 -56.110 -53.561 1.00 3.12 H new ATOM 0 HE2 PHE A 86 43.294 -52.611 -51.130 1.00 72.43 H new ATOM 0 HZ PHE A 86 43.998 -54.927 -51.585 1.00 22.31 H new ATOM 1261 N LYS A 87 40.551 -53.951 -58.223 1.00 55.44 N ATOM 1262 CA LYS A 87 39.713 -54.754 -59.106 1.00 33.13 C ATOM 1263 C LYS A 87 39.320 -56.067 -58.436 1.00 32.00 C ATOM 1264 O LYS A 87 40.178 -56.835 -58.003 1.00 74.42 O ATOM 1265 CB LYS A 87 40.445 -55.038 -60.419 1.00 60.40 C ATOM 1266 CG LYS A 87 39.551 -55.622 -61.500 1.00 24.03 C ATOM 1267 CD LYS A 87 40.075 -55.302 -62.890 1.00 2.54 C ATOM 1268 CE LYS A 87 39.784 -56.429 -63.868 1.00 45.14 C ATOM 1269 NZ LYS A 87 40.909 -57.402 -63.944 1.00 2.14 N ATOM 0 H LYS A 87 41.543 -53.961 -58.460 1.00 55.44 H new ATOM 0 HA LYS A 87 38.806 -54.189 -59.319 1.00 33.13 H new ATOM 0 HB2 LYS A 87 40.887 -54.112 -60.786 1.00 60.40 H new ATOM 0 HB3 LYS A 87 41.266 -55.729 -60.226 1.00 60.40 H new ATOM 0 HG2 LYS A 87 39.486 -56.703 -61.375 1.00 24.03 H new ATOM 0 HG3 LYS A 87 38.541 -55.227 -61.391 1.00 24.03 H new ATOM 0 HD2 LYS A 87 39.618 -54.380 -63.249 1.00 2.54 H new ATOM 0 HD3 LYS A 87 41.150 -55.128 -62.844 1.00 2.54 H new ATOM 0 HE2 LYS A 87 38.875 -56.948 -63.564 1.00 45.14 H new ATOM 0 HE3 LYS A 87 39.597 -56.012 -64.858 1.00 45.14 H new ATOM 0 HZ1 LYS A 87 40.672 -58.155 -64.621 1.00 2.14 H new ATOM 0 HZ2 LYS A 87 41.771 -56.912 -64.259 1.00 2.14 H new ATOM 0 HZ3 LYS A 87 41.071 -57.819 -63.005 1.00 2.14 H new ATOM 1283 N GLY A 88 38.017 -56.319 -58.355 1.00 54.54 N ATOM 1284 CA GLY A 88 37.534 -57.540 -57.739 1.00 35.15 C ATOM 1285 C GLY A 88 36.351 -58.134 -58.477 1.00 72.32 C ATOM 1286 O GLY A 88 36.158 -59.351 -58.479 1.00 14.21 O ATOM 0 H GLY A 88 37.287 -55.698 -58.705 1.00 54.54 H new ATOM 0 HA2 GLY A 88 38.342 -58.271 -57.706 1.00 35.15 H new ATOM 0 HA3 GLY A 88 37.248 -57.334 -56.707 1.00 35.15 H new ATOM 1290 N LEU A 89 35.556 -57.275 -59.106 1.00 33.45 N ATOM 1291 CA LEU A 89 34.384 -57.722 -59.850 1.00 54.05 C ATOM 1292 C LEU A 89 34.634 -57.652 -61.353 1.00 44.14 C ATOM 1293 O LEU A 89 35.536 -56.949 -61.812 1.00 32.01 O ATOM 1294 CB LEU A 89 33.167 -56.870 -59.485 1.00 1.25 C ATOM 1295 CG LEU A 89 33.050 -56.462 -58.015 1.00 65.44 C ATOM 1296 CD1 LEU A 89 33.421 -57.625 -57.108 1.00 22.11 C ATOM 1297 CD2 LEU A 89 33.931 -55.255 -57.725 1.00 75.32 C ATOM 0 H LEU A 89 35.702 -56.266 -59.115 1.00 33.45 H new ATOM 0 HA LEU A 89 34.188 -58.760 -59.580 1.00 54.05 H new ATOM 0 HB2 LEU A 89 33.187 -55.965 -60.092 1.00 1.25 H new ATOM 0 HB3 LEU A 89 32.267 -57.420 -59.762 1.00 1.25 H new ATOM 0 HG LEU A 89 32.014 -56.187 -57.815 1.00 65.44 H new ATOM 0 HD11 LEU A 89 33.332 -57.317 -56.066 1.00 22.11 H new ATOM 0 HD12 LEU A 89 32.750 -58.463 -57.297 1.00 22.11 H new ATOM 0 HD13 LEU A 89 34.448 -57.930 -57.310 1.00 22.11 H new ATOM 0 HD21 LEU A 89 33.835 -54.979 -56.675 1.00 75.32 H new ATOM 0 HD22 LEU A 89 34.970 -55.503 -57.942 1.00 75.32 H new ATOM 0 HD23 LEU A 89 33.619 -54.418 -58.350 1.00 75.32 H new ATOM 1309 N THR A 90 33.829 -58.384 -62.117 1.00 43.24 N ATOM 1310 CA THR A 90 33.963 -58.404 -63.569 1.00 32.25 C ATOM 1311 C THR A 90 34.030 -56.990 -64.134 1.00 72.34 C ATOM 1312 O THR A 90 33.006 -56.324 -64.292 1.00 34.41 O ATOM 1313 CB THR A 90 32.791 -59.155 -64.230 1.00 4.41 C ATOM 1314 OG1 THR A 90 31.557 -58.488 -63.941 1.00 23.50 O ATOM 1315 CG2 THR A 90 32.724 -60.593 -63.739 1.00 42.02 C ATOM 0 H THR A 90 33.077 -58.971 -61.755 1.00 43.24 H new ATOM 0 HA THR A 90 34.893 -58.926 -63.794 1.00 32.25 H new ATOM 0 HB THR A 90 32.955 -59.164 -65.308 1.00 4.41 H new ATOM 0 HG1 THR A 90 31.694 -57.518 -63.975 1.00 23.50 H new ATOM 0 HG21 THR A 90 31.889 -61.103 -64.219 1.00 42.02 H new ATOM 0 HG22 THR A 90 33.653 -61.106 -63.987 1.00 42.02 H new ATOM 0 HG23 THR A 90 32.582 -60.602 -62.658 1.00 42.02 H new ATOM 1323 N LEU A 91 35.241 -56.537 -64.439 1.00 73.13 N ATOM 1324 CA LEU A 91 35.441 -55.201 -64.989 1.00 44.13 C ATOM 1325 C LEU A 91 34.535 -54.966 -66.193 1.00 15.51 C ATOM 1326 O LEU A 91 34.186 -53.828 -66.508 1.00 11.41 O ATOM 1327 CB LEU A 91 36.904 -55.009 -65.393 1.00 42.42 C ATOM 1328 CG LEU A 91 37.346 -55.718 -66.674 1.00 54.51 C ATOM 1329 CD1 LEU A 91 38.679 -55.168 -67.156 1.00 3.01 C ATOM 1330 CD2 LEU A 91 37.436 -57.220 -66.448 1.00 51.32 C ATOM 0 H LEU A 91 36.099 -57.075 -64.315 1.00 73.13 H new ATOM 0 HA LEU A 91 35.184 -54.475 -64.217 1.00 44.13 H new ATOM 0 HB2 LEU A 91 37.091 -53.941 -65.510 1.00 42.42 H new ATOM 0 HB3 LEU A 91 37.535 -55.355 -64.574 1.00 42.42 H new ATOM 0 HG LEU A 91 36.600 -55.531 -67.446 1.00 54.51 H new ATOM 0 HD11 LEU A 91 38.977 -55.685 -68.068 1.00 3.01 H new ATOM 0 HD12 LEU A 91 38.581 -54.101 -67.358 1.00 3.01 H new ATOM 0 HD13 LEU A 91 39.436 -55.323 -66.387 1.00 3.01 H new ATOM 0 HD21 LEU A 91 37.752 -57.708 -67.370 1.00 51.32 H new ATOM 0 HD22 LEU A 91 38.161 -57.427 -65.661 1.00 51.32 H new ATOM 0 HD23 LEU A 91 36.459 -57.602 -66.151 1.00 51.32 H new ATOM 1342 N VAL A 92 34.154 -56.050 -66.861 1.00 52.45 N ATOM 1343 CA VAL A 92 33.284 -55.962 -68.029 1.00 4.14 C ATOM 1344 C VAL A 92 31.987 -55.234 -67.694 1.00 43.02 C ATOM 1345 O VAL A 92 31.347 -54.649 -68.568 1.00 42.12 O ATOM 1346 CB VAL A 92 32.948 -57.359 -68.584 1.00 51.51 C ATOM 1347 CG1 VAL A 92 34.221 -58.125 -68.909 1.00 51.12 C ATOM 1348 CG2 VAL A 92 32.088 -58.132 -67.596 1.00 1.44 C ATOM 0 H VAL A 92 34.434 -56.999 -66.614 1.00 52.45 H new ATOM 0 HA VAL A 92 33.827 -55.399 -68.788 1.00 4.14 H new ATOM 0 HB VAL A 92 32.380 -57.237 -69.507 1.00 51.51 H new ATOM 0 HG11 VAL A 92 33.964 -59.109 -69.300 1.00 51.12 H new ATOM 0 HG12 VAL A 92 34.795 -57.577 -69.656 1.00 51.12 H new ATOM 0 HG13 VAL A 92 34.818 -58.239 -68.004 1.00 51.12 H new ATOM 0 HG21 VAL A 92 31.860 -59.117 -68.004 1.00 1.44 H new ATOM 0 HG22 VAL A 92 32.627 -58.245 -66.655 1.00 1.44 H new ATOM 0 HG23 VAL A 92 31.160 -57.589 -67.419 1.00 1.44 H new ATOM 1358 N LYS A 93 31.604 -55.273 -66.423 1.00 22.45 N ATOM 1359 CA LYS A 93 30.384 -54.616 -65.970 1.00 32.31 C ATOM 1360 C LYS A 93 30.503 -53.101 -66.097 1.00 14.12 C ATOM 1361 O LYS A 93 29.633 -52.447 -66.673 1.00 10.25 O ATOM 1362 CB LYS A 93 30.085 -54.995 -64.518 1.00 34.14 C ATOM 1363 CG LYS A 93 28.978 -54.166 -63.888 1.00 62.44 C ATOM 1364 CD LYS A 93 29.538 -53.109 -62.951 1.00 74.14 C ATOM 1365 CE LYS A 93 28.427 -52.305 -62.292 1.00 24.32 C ATOM 1366 NZ LYS A 93 27.813 -53.040 -61.151 1.00 42.03 N ATOM 0 H LYS A 93 32.122 -55.753 -65.687 1.00 22.45 H new ATOM 0 HA LYS A 93 29.563 -54.953 -66.603 1.00 32.31 H new ATOM 0 HB2 LYS A 93 29.807 -56.048 -64.476 1.00 34.14 H new ATOM 0 HB3 LYS A 93 30.994 -54.881 -63.927 1.00 34.14 H new ATOM 0 HG2 LYS A 93 28.391 -53.686 -64.671 1.00 62.44 H new ATOM 0 HG3 LYS A 93 28.301 -54.819 -63.338 1.00 62.44 H new ATOM 0 HD2 LYS A 93 30.147 -53.587 -62.184 1.00 74.14 H new ATOM 0 HD3 LYS A 93 30.194 -52.439 -63.507 1.00 74.14 H new ATOM 0 HE2 LYS A 93 28.827 -51.354 -61.939 1.00 24.32 H new ATOM 0 HE3 LYS A 93 27.659 -52.073 -63.030 1.00 24.32 H new ATOM 0 HZ1 LYS A 93 27.061 -52.459 -60.729 1.00 42.03 H new ATOM 0 HZ2 LYS A 93 27.409 -53.936 -61.492 1.00 42.03 H new ATOM 0 HZ3 LYS A 93 28.540 -53.239 -60.435 1.00 42.03 H new ATOM 1380 N ARG A 94 31.585 -52.549 -65.557 1.00 33.40 N ATOM 1381 CA ARG A 94 31.817 -51.111 -65.611 1.00 33.15 C ATOM 1382 C ARG A 94 31.957 -50.636 -67.054 1.00 23.41 C ATOM 1383 O ARG A 94 31.328 -49.659 -67.461 1.00 61.43 O ATOM 1384 CB ARG A 94 33.073 -50.746 -64.818 1.00 0.24 C ATOM 1385 CG ARG A 94 32.779 -50.140 -63.455 1.00 54.43 C ATOM 1386 CD ARG A 94 33.358 -50.985 -62.332 1.00 72.42 C ATOM 1387 NE ARG A 94 32.919 -52.376 -62.412 1.00 65.24 N ATOM 1388 CZ ARG A 94 33.669 -53.406 -62.036 1.00 3.02 C ATOM 1389 NH1 ARG A 94 34.888 -53.202 -61.555 1.00 30.20 N ATOM 1390 NH2 ARG A 94 33.200 -54.643 -62.139 1.00 41.13 N ATOM 0 H ARG A 94 32.315 -53.076 -65.077 1.00 33.40 H new ATOM 0 HA ARG A 94 30.956 -50.612 -65.165 1.00 33.15 H new ATOM 0 HB2 ARG A 94 33.681 -51.641 -64.685 1.00 0.24 H new ATOM 0 HB3 ARG A 94 33.667 -50.041 -65.399 1.00 0.24 H new ATOM 0 HG2 ARG A 94 33.195 -49.134 -63.406 1.00 54.43 H new ATOM 0 HG3 ARG A 94 31.701 -50.046 -63.322 1.00 54.43 H new ATOM 0 HD2 ARG A 94 34.447 -50.945 -62.373 1.00 72.42 H new ATOM 0 HD3 ARG A 94 33.059 -50.565 -61.371 1.00 72.42 H new ATOM 0 HE ARG A 94 31.986 -52.567 -62.776 1.00 65.24 H new ATOM 0 HH11 ARG A 94 35.252 -52.253 -61.473 1.00 30.20 H new ATOM 0 HH12 ARG A 94 35.462 -53.995 -61.267 1.00 30.20 H new ATOM 0 HH21 ARG A 94 32.263 -54.804 -62.507 1.00 41.13 H new ATOM 0 HH22 ARG A 94 33.777 -55.433 -61.850 1.00 41.13 H new ATOM 1404 N HIS A 95 32.787 -51.334 -67.823 1.00 23.22 N ATOM 1405 CA HIS A 95 33.011 -50.984 -69.221 1.00 74.21 C ATOM 1406 C HIS A 95 31.707 -51.045 -70.011 1.00 51.12 C ATOM 1407 O HIS A 95 31.502 -50.273 -70.947 1.00 51.32 O ATOM 1408 CB HIS A 95 34.043 -51.924 -69.845 1.00 40.52 C ATOM 1409 CG HIS A 95 34.045 -51.901 -71.343 1.00 32.52 C ATOM 1410 ND1 HIS A 95 34.062 -53.046 -72.112 1.00 50.53 N ATOM 1411 CD2 HIS A 95 34.030 -50.865 -72.213 1.00 15.21 C ATOM 1412 CE1 HIS A 95 34.059 -52.714 -73.391 1.00 1.40 C ATOM 1413 NE2 HIS A 95 34.039 -51.396 -73.479 1.00 50.23 N ATOM 0 H HIS A 95 33.315 -52.145 -67.502 1.00 23.22 H new ATOM 0 HA HIS A 95 33.391 -49.963 -69.258 1.00 74.21 H new ATOM 0 HB2 HIS A 95 35.035 -51.652 -69.484 1.00 40.52 H new ATOM 0 HB3 HIS A 95 33.848 -52.941 -69.506 1.00 40.52 H new ATOM 0 HD1 HIS A 95 34.075 -54.000 -71.750 1.00 50.53 H new ATOM 0 HD2 HIS A 95 34.014 -49.815 -71.959 1.00 15.21 H new ATOM 0 HE1 HIS A 95 34.071 -53.403 -74.223 1.00 1.40 H new ATOM 1421 N GLN A 96 30.831 -51.968 -69.628 1.00 15.33 N ATOM 1422 CA GLN A 96 29.548 -52.129 -70.302 1.00 32.20 C ATOM 1423 C GLN A 96 28.598 -50.991 -69.944 1.00 74.13 C ATOM 1424 O GLN A 96 27.774 -50.576 -70.761 1.00 20.03 O ATOM 1425 CB GLN A 96 28.917 -53.472 -69.929 1.00 63.11 C ATOM 1426 CG GLN A 96 27.528 -53.675 -70.512 1.00 10.40 C ATOM 1427 CD GLN A 96 27.398 -54.981 -71.269 1.00 73.43 C ATOM 1428 OE1 GLN A 96 27.887 -56.021 -70.826 1.00 11.31 O ATOM 1429 NE2 GLN A 96 26.735 -54.936 -72.419 1.00 42.13 N ATOM 0 H GLN A 96 30.986 -52.615 -68.855 1.00 15.33 H new ATOM 0 HA GLN A 96 29.726 -52.105 -71.377 1.00 32.20 H new ATOM 0 HB2 GLN A 96 29.567 -54.277 -70.272 1.00 63.11 H new ATOM 0 HB3 GLN A 96 28.861 -53.548 -68.843 1.00 63.11 H new ATOM 0 HG2 GLN A 96 26.793 -53.651 -69.707 1.00 10.40 H new ATOM 0 HG3 GLN A 96 27.294 -52.847 -71.181 1.00 10.40 H new ATOM 0 HE21 GLN A 96 26.346 -54.053 -72.749 1.00 42.13 H new ATOM 0 HE22 GLN A 96 26.615 -55.785 -72.972 1.00 42.13 H new ATOM 1438 N LEU A 97 28.717 -50.491 -68.720 1.00 12.44 N ATOM 1439 CA LEU A 97 27.868 -49.400 -68.253 1.00 10.31 C ATOM 1440 C LEU A 97 28.076 -48.148 -69.099 1.00 2.41 C ATOM 1441 O LEU A 97 27.116 -47.544 -69.578 1.00 11.43 O ATOM 1442 CB LEU A 97 28.162 -49.091 -66.784 1.00 31.22 C ATOM 1443 CG LEU A 97 27.658 -50.117 -65.769 1.00 34.44 C ATOM 1444 CD1 LEU A 97 28.363 -49.938 -64.433 1.00 71.12 C ATOM 1445 CD2 LEU A 97 26.150 -50.002 -65.597 1.00 50.33 C ATOM 0 H LEU A 97 29.393 -50.823 -68.032 1.00 12.44 H new ATOM 0 HA LEU A 97 26.829 -49.714 -68.351 1.00 10.31 H new ATOM 0 HB2 LEU A 97 29.241 -48.990 -66.663 1.00 31.22 H new ATOM 0 HB3 LEU A 97 27.722 -48.124 -66.542 1.00 31.22 H new ATOM 0 HG LEU A 97 27.886 -51.114 -66.146 1.00 34.44 H new ATOM 0 HD11 LEU A 97 27.991 -50.677 -63.723 1.00 71.12 H new ATOM 0 HD12 LEU A 97 29.436 -50.072 -64.567 1.00 71.12 H new ATOM 0 HD13 LEU A 97 28.167 -48.937 -64.050 1.00 71.12 H new ATOM 0 HD21 LEU A 97 25.809 -50.740 -64.871 1.00 50.33 H new ATOM 0 HD22 LEU A 97 25.899 -49.002 -65.243 1.00 50.33 H new ATOM 0 HD23 LEU A 97 25.660 -50.181 -66.554 1.00 50.33 H new ATOM 1457 N ILE A 98 29.336 -47.765 -69.280 1.00 74.11 N ATOM 1458 CA ILE A 98 29.669 -46.587 -70.071 1.00 63.22 C ATOM 1459 C ILE A 98 29.679 -46.910 -71.561 1.00 73.34 C ATOM 1460 O ILE A 98 29.327 -46.072 -72.391 1.00 51.34 O ATOM 1461 CB ILE A 98 31.042 -46.012 -69.673 1.00 74.24 C ATOM 1462 CG1 ILE A 98 32.139 -47.055 -69.893 1.00 21.53 C ATOM 1463 CG2 ILE A 98 31.023 -45.552 -68.223 1.00 52.14 C ATOM 1464 CD1 ILE A 98 33.492 -46.629 -69.367 1.00 51.03 C ATOM 0 H ILE A 98 30.142 -48.253 -68.890 1.00 74.11 H new ATOM 0 HA ILE A 98 28.899 -45.843 -69.868 1.00 63.22 H new ATOM 0 HB ILE A 98 31.256 -45.150 -70.304 1.00 74.24 H new ATOM 0 HG12 ILE A 98 31.846 -47.986 -69.408 1.00 21.53 H new ATOM 0 HG13 ILE A 98 32.222 -47.264 -70.960 1.00 21.53 H new ATOM 0 HG21 ILE A 98 32.000 -45.148 -67.957 1.00 52.14 H new ATOM 0 HG22 ILE A 98 30.264 -44.780 -68.096 1.00 52.14 H new ATOM 0 HG23 ILE A 98 30.791 -46.398 -67.576 1.00 52.14 H new ATOM 0 HD11 ILE A 98 34.221 -47.417 -69.557 1.00 51.03 H new ATOM 0 HD12 ILE A 98 33.806 -45.715 -69.870 1.00 51.03 H new ATOM 0 HD13 ILE A 98 33.425 -46.448 -68.294 1.00 51.03 H new ATOM 1476 N TYR A 99 30.082 -48.132 -71.894 1.00 13.34 N ATOM 1477 CA TYR A 99 30.138 -48.566 -73.284 1.00 75.32 C ATOM 1478 C TYR A 99 30.630 -47.440 -74.188 1.00 12.22 C ATOM 1479 O TYR A 99 30.109 -47.234 -75.283 1.00 73.30 O ATOM 1480 CB TYR A 99 28.759 -49.041 -73.748 1.00 24.44 C ATOM 1481 CG TYR A 99 27.675 -47.999 -73.591 1.00 63.21 C ATOM 1482 CD1 TYR A 99 26.963 -47.883 -72.404 1.00 12.32 C ATOM 1483 CD2 TYR A 99 27.363 -47.132 -74.630 1.00 53.33 C ATOM 1484 CE1 TYR A 99 25.971 -46.932 -72.256 1.00 70.42 C ATOM 1485 CE2 TYR A 99 26.374 -46.177 -74.491 1.00 74.52 C ATOM 1486 CZ TYR A 99 25.680 -46.082 -73.302 1.00 44.15 C ATOM 1487 OH TYR A 99 24.693 -45.134 -73.160 1.00 44.35 O ATOM 0 H TYR A 99 30.375 -48.839 -71.219 1.00 13.34 H new ATOM 0 HA TYR A 99 30.843 -49.395 -73.350 1.00 75.32 H new ATOM 0 HB2 TYR A 99 28.819 -49.336 -74.796 1.00 24.44 H new ATOM 0 HB3 TYR A 99 28.481 -49.930 -73.182 1.00 24.44 H new ATOM 0 HD1 TYR A 99 27.188 -48.547 -71.583 1.00 12.32 H new ATOM 0 HD2 TYR A 99 27.903 -47.205 -75.563 1.00 53.33 H new ATOM 0 HE1 TYR A 99 25.427 -46.855 -71.326 1.00 70.42 H new ATOM 0 HE2 TYR A 99 26.145 -45.509 -75.308 1.00 74.52 H new ATOM 0 HH TYR A 99 24.615 -44.617 -73.989 1.00 44.35 H new ATOM 1497 N GLY A 100 31.639 -46.712 -73.719 1.00 65.42 N ATOM 1498 CA GLY A 100 32.187 -45.616 -74.496 1.00 51.23 C ATOM 1499 C GLY A 100 33.279 -46.067 -75.446 1.00 51.30 C ATOM 1500 O GLY A 100 33.867 -45.253 -76.159 1.00 51.43 O ATOM 0 H GLY A 100 32.087 -46.862 -72.815 1.00 65.42 H new ATOM 0 HA2 GLY A 100 31.387 -45.143 -75.065 1.00 51.23 H new ATOM 0 HA3 GLY A 100 32.587 -44.860 -73.820 1.00 51.23 H new ATOM 1504 N LEU A 101 33.553 -47.366 -75.455 1.00 71.54 N ATOM 1505 CA LEU A 101 34.584 -47.925 -76.324 1.00 15.11 C ATOM 1506 C LEU A 101 34.053 -48.124 -77.740 1.00 41.41 C ATOM 1507 O LEU A 101 34.090 -49.231 -78.279 1.00 13.13 O ATOM 1508 CB LEU A 101 35.084 -49.257 -75.763 1.00 2.01 C ATOM 1509 CG LEU A 101 36.125 -49.166 -74.646 1.00 70.44 C ATOM 1510 CD1 LEU A 101 37.407 -48.533 -75.162 1.00 45.53 C ATOM 1511 CD2 LEU A 101 35.575 -48.377 -73.467 1.00 72.42 C ATOM 0 H LEU A 101 33.076 -48.053 -74.871 1.00 71.54 H new ATOM 0 HA LEU A 101 35.414 -47.219 -76.363 1.00 15.11 H new ATOM 0 HB2 LEU A 101 34.226 -49.816 -75.388 1.00 2.01 H new ATOM 0 HB3 LEU A 101 35.509 -49.837 -76.582 1.00 2.01 H new ATOM 0 HG LEU A 101 36.354 -50.176 -74.306 1.00 70.44 H new ATOM 0 HD11 LEU A 101 38.136 -48.477 -74.354 1.00 45.53 H new ATOM 0 HD12 LEU A 101 37.811 -49.139 -75.973 1.00 45.53 H new ATOM 0 HD13 LEU A 101 37.195 -47.529 -75.530 1.00 45.53 H new ATOM 0 HD21 LEU A 101 36.329 -48.323 -72.682 1.00 72.42 H new ATOM 0 HD22 LEU A 101 35.317 -47.369 -73.792 1.00 72.42 H new ATOM 0 HD23 LEU A 101 34.685 -48.873 -73.081 1.00 72.42 H new ATOM 1523 N LEU A 102 33.562 -47.044 -78.339 1.00 64.43 N ATOM 1524 CA LEU A 102 33.026 -47.099 -79.695 1.00 23.00 C ATOM 1525 C LEU A 102 32.469 -45.743 -80.115 1.00 42.33 C ATOM 1526 O LEU A 102 31.380 -45.351 -79.697 1.00 33.30 O ATOM 1527 CB LEU A 102 31.932 -48.164 -79.789 1.00 43.04 C ATOM 1528 CG LEU A 102 32.252 -49.379 -80.660 1.00 62.52 C ATOM 1529 CD1 LEU A 102 31.636 -50.637 -80.068 1.00 24.53 C ATOM 1530 CD2 LEU A 102 31.758 -49.161 -82.083 1.00 5.00 C ATOM 0 H LEU A 102 33.524 -46.121 -77.907 1.00 64.43 H new ATOM 0 HA LEU A 102 33.840 -47.362 -80.371 1.00 23.00 H new ATOM 0 HB2 LEU A 102 31.705 -48.514 -78.782 1.00 43.04 H new ATOM 0 HB3 LEU A 102 31.027 -47.694 -80.174 1.00 43.04 H new ATOM 0 HG LEU A 102 33.334 -49.507 -80.688 1.00 62.52 H new ATOM 0 HD11 LEU A 102 31.874 -51.492 -80.701 1.00 24.53 H new ATOM 0 HD12 LEU A 102 32.038 -50.803 -79.068 1.00 24.53 H new ATOM 0 HD13 LEU A 102 30.554 -50.519 -80.009 1.00 24.53 H new ATOM 0 HD21 LEU A 102 31.995 -50.036 -82.688 1.00 5.00 H new ATOM 0 HD22 LEU A 102 30.679 -49.007 -82.074 1.00 5.00 H new ATOM 0 HD23 LEU A 102 32.246 -48.284 -82.507 1.00 5.00 H new ATOM 1542 N SER A 103 33.223 -45.031 -80.947 1.00 4.23 N ATOM 1543 CA SER A 103 32.806 -43.717 -81.423 1.00 32.31 C ATOM 1544 C SER A 103 33.857 -43.116 -82.351 1.00 23.33 C ATOM 1545 O SER A 103 33.703 -43.128 -83.572 1.00 51.01 O ATOM 1546 CB SER A 103 32.556 -42.779 -80.241 1.00 12.31 C ATOM 1547 OG SER A 103 32.439 -41.434 -80.673 1.00 62.22 O ATOM 0 H SER A 103 34.126 -45.342 -81.305 1.00 4.23 H new ATOM 0 HA SER A 103 31.879 -43.838 -81.984 1.00 32.31 H new ATOM 0 HB2 SER A 103 31.645 -43.078 -79.722 1.00 12.31 H new ATOM 0 HB3 SER A 103 33.374 -42.865 -79.525 1.00 12.31 H new ATOM 0 HG SER A 103 33.134 -40.891 -80.245 1.00 62.22 H new ATOM 1553 N ASP A 104 34.926 -42.592 -81.762 1.00 1.33 N ATOM 1554 CA ASP A 104 36.005 -41.986 -82.534 1.00 71.40 C ATOM 1555 C ASP A 104 36.917 -43.057 -83.126 1.00 15.13 C ATOM 1556 O ASP A 104 37.539 -42.849 -84.166 1.00 41.35 O ATOM 1557 CB ASP A 104 36.818 -41.035 -81.655 1.00 44.02 C ATOM 1558 CG ASP A 104 37.706 -40.112 -82.468 1.00 35.34 C ATOM 1559 OD1 ASP A 104 37.796 -40.308 -83.697 1.00 61.24 O ATOM 1560 OD2 ASP A 104 38.310 -39.195 -81.874 1.00 10.25 O ATOM 0 H ASP A 104 35.069 -42.575 -80.752 1.00 1.33 H new ATOM 0 HA ASP A 104 35.560 -41.420 -83.352 1.00 71.40 H new ATOM 0 HB2 ASP A 104 36.139 -40.438 -81.046 1.00 44.02 H new ATOM 0 HB3 ASP A 104 37.434 -41.616 -80.969 1.00 44.02 H new ATOM 1565 N GLU A 105 36.990 -44.202 -82.454 1.00 2.30 N ATOM 1566 CA GLU A 105 37.828 -45.304 -82.913 1.00 53.42 C ATOM 1567 C GLU A 105 37.515 -45.656 -84.365 1.00 22.03 C ATOM 1568 O GLU A 105 38.416 -45.943 -85.153 1.00 41.13 O ATOM 1569 CB GLU A 105 37.626 -46.532 -82.024 1.00 34.13 C ATOM 1570 CG GLU A 105 37.854 -46.258 -80.547 1.00 33.23 C ATOM 1571 CD GLU A 105 36.586 -46.393 -79.726 1.00 11.22 C ATOM 1572 OE1 GLU A 105 36.106 -47.534 -79.560 1.00 55.31 O ATOM 1573 OE2 GLU A 105 36.074 -45.358 -79.250 1.00 20.23 O ATOM 0 H GLU A 105 36.480 -44.390 -81.591 1.00 2.30 H new ATOM 0 HA GLU A 105 38.869 -44.987 -82.850 1.00 53.42 H new ATOM 0 HB2 GLU A 105 36.612 -46.908 -82.163 1.00 34.13 H new ATOM 0 HB3 GLU A 105 38.306 -47.320 -82.348 1.00 34.13 H new ATOM 0 HG2 GLU A 105 38.605 -46.949 -80.165 1.00 33.23 H new ATOM 0 HG3 GLU A 105 38.256 -45.252 -80.426 1.00 33.23 H new ATOM 1580 N PHE A 106 36.232 -45.633 -84.710 1.00 2.00 N ATOM 1581 CA PHE A 106 35.799 -45.951 -86.066 1.00 25.43 C ATOM 1582 C PHE A 106 36.113 -44.803 -87.020 1.00 60.25 C ATOM 1583 O PHE A 106 36.316 -45.013 -88.217 1.00 0.43 O ATOM 1584 CB PHE A 106 34.299 -46.253 -86.087 1.00 45.45 C ATOM 1585 CG PHE A 106 33.526 -45.377 -87.032 1.00 30.24 C ATOM 1586 CD1 PHE A 106 33.476 -45.670 -88.385 1.00 35.21 C ATOM 1587 CD2 PHE A 106 32.849 -44.262 -86.566 1.00 11.32 C ATOM 1588 CE1 PHE A 106 32.765 -44.866 -89.256 1.00 2.12 C ATOM 1589 CE2 PHE A 106 32.136 -43.454 -87.432 1.00 44.10 C ATOM 1590 CZ PHE A 106 32.094 -43.757 -88.779 1.00 33.13 C ATOM 0 H PHE A 106 35.474 -45.398 -84.070 1.00 2.00 H new ATOM 0 HA PHE A 106 36.344 -46.834 -86.398 1.00 25.43 H new ATOM 0 HB2 PHE A 106 34.150 -47.296 -86.366 1.00 45.45 H new ATOM 0 HB3 PHE A 106 33.898 -46.132 -85.081 1.00 45.45 H new ATOM 0 HD1 PHE A 106 33.998 -46.536 -88.763 1.00 35.21 H new ATOM 0 HD2 PHE A 106 32.879 -44.021 -85.514 1.00 11.32 H new ATOM 0 HE1 PHE A 106 32.734 -45.105 -90.309 1.00 2.12 H new ATOM 0 HE2 PHE A 106 31.613 -42.587 -87.056 1.00 44.10 H new ATOM 0 HZ PHE A 106 31.538 -43.128 -89.458 1.00 33.13 H new ATOM 1600 N LYS A 107 36.150 -43.588 -86.483 1.00 64.53 N ATOM 1601 CA LYS A 107 36.440 -42.405 -87.285 1.00 35.40 C ATOM 1602 C LYS A 107 37.870 -42.443 -87.814 1.00 74.03 C ATOM 1603 O LYS A 107 38.216 -41.718 -88.746 1.00 53.41 O ATOM 1604 CB LYS A 107 36.225 -41.137 -86.456 1.00 35.21 C ATOM 1605 CG LYS A 107 36.684 -39.869 -87.154 1.00 53.11 C ATOM 1606 CD LYS A 107 35.919 -38.652 -86.660 1.00 25.24 C ATOM 1607 CE LYS A 107 34.723 -38.346 -87.548 1.00 23.51 C ATOM 1608 NZ LYS A 107 34.064 -37.066 -87.169 1.00 32.21 N ATOM 0 H LYS A 107 35.983 -43.397 -85.495 1.00 64.53 H new ATOM 0 HA LYS A 107 35.757 -42.397 -88.135 1.00 35.40 H new ATOM 0 HB2 LYS A 107 35.166 -41.046 -86.215 1.00 35.21 H new ATOM 0 HB3 LYS A 107 36.760 -41.236 -85.511 1.00 35.21 H new ATOM 0 HG2 LYS A 107 37.751 -39.724 -86.982 1.00 53.11 H new ATOM 0 HG3 LYS A 107 36.546 -39.975 -88.230 1.00 53.11 H new ATOM 0 HD2 LYS A 107 35.580 -38.824 -85.638 1.00 25.24 H new ATOM 0 HD3 LYS A 107 36.584 -37.789 -86.634 1.00 25.24 H new ATOM 0 HE2 LYS A 107 35.046 -38.294 -88.588 1.00 23.51 H new ATOM 0 HE3 LYS A 107 34.002 -39.160 -87.479 1.00 23.51 H new ATOM 0 HZ1 LYS A 107 33.254 -36.893 -87.798 1.00 32.21 H new ATOM 0 HZ2 LYS A 107 33.733 -37.124 -86.185 1.00 32.21 H new ATOM 0 HZ3 LYS A 107 34.745 -36.285 -87.259 1.00 32.21 H new ATOM 1622 N ALA A 108 38.696 -43.294 -87.215 1.00 35.25 N ATOM 1623 CA ALA A 108 40.087 -43.429 -87.628 1.00 53.52 C ATOM 1624 C ALA A 108 40.370 -44.831 -88.154 1.00 70.53 C ATOM 1625 O ALA A 108 41.058 -45.001 -89.160 1.00 51.31 O ATOM 1626 CB ALA A 108 41.016 -43.100 -86.469 1.00 41.33 C ATOM 0 H ALA A 108 38.425 -43.901 -86.441 1.00 35.25 H new ATOM 0 HA ALA A 108 40.270 -42.722 -88.438 1.00 53.52 H new ATOM 0 HB1 ALA A 108 42.052 -43.205 -86.792 1.00 41.33 H new ATOM 0 HB2 ALA A 108 40.840 -42.075 -86.141 1.00 41.33 H new ATOM 0 HB3 ALA A 108 40.823 -43.784 -85.642 1.00 41.33 H new ATOM 1632 N GLY A 109 39.835 -45.836 -87.466 1.00 41.15 N ATOM 1633 CA GLY A 109 40.043 -47.211 -87.880 1.00 33.54 C ATOM 1634 C GLY A 109 40.982 -47.959 -86.954 1.00 60.23 C ATOM 1635 O GLY A 109 41.544 -48.990 -87.328 1.00 42.51 O ATOM 0 H GLY A 109 39.262 -45.722 -86.630 1.00 41.15 H new ATOM 0 HA2 GLY A 109 39.083 -47.726 -87.913 1.00 33.54 H new ATOM 0 HA3 GLY A 109 40.448 -47.225 -88.892 1.00 33.54 H new ATOM 1639 N LEU A 110 41.155 -47.440 -85.744 1.00 33.12 N ATOM 1640 CA LEU A 110 42.034 -48.065 -84.762 1.00 5.32 C ATOM 1641 C LEU A 110 41.227 -48.721 -83.647 1.00 12.35 C ATOM 1642 O LEU A 110 40.232 -48.167 -83.178 1.00 11.24 O ATOM 1643 CB LEU A 110 42.991 -47.027 -84.172 1.00 11.12 C ATOM 1644 CG LEU A 110 43.850 -46.258 -85.176 1.00 52.03 C ATOM 1645 CD1 LEU A 110 44.089 -47.094 -86.424 1.00 53.32 C ATOM 1646 CD2 LEU A 110 43.192 -44.934 -85.537 1.00 3.22 C ATOM 0 H LEU A 110 40.698 -46.588 -85.419 1.00 33.12 H new ATOM 0 HA LEU A 110 42.612 -48.838 -85.269 1.00 5.32 H new ATOM 0 HB2 LEU A 110 42.406 -46.308 -83.599 1.00 11.12 H new ATOM 0 HB3 LEU A 110 43.654 -47.532 -83.469 1.00 11.12 H new ATOM 0 HG LEU A 110 44.815 -46.048 -84.714 1.00 52.03 H new ATOM 0 HD11 LEU A 110 44.702 -46.531 -87.127 1.00 53.32 H new ATOM 0 HD12 LEU A 110 44.603 -48.016 -86.152 1.00 53.32 H new ATOM 0 HD13 LEU A 110 43.133 -47.336 -86.889 1.00 53.32 H new ATOM 0 HD21 LEU A 110 43.817 -44.400 -86.253 1.00 3.22 H new ATOM 0 HD22 LEU A 110 42.214 -45.123 -85.980 1.00 3.22 H new ATOM 0 HD23 LEU A 110 43.073 -44.330 -84.638 1.00 3.22 H new ATOM 1658 N HIS A 111 41.663 -49.903 -83.224 1.00 74.53 N ATOM 1659 CA HIS A 111 40.982 -50.634 -82.161 1.00 75.13 C ATOM 1660 C HIS A 111 40.972 -49.827 -80.867 1.00 3.22 C ATOM 1661 O HIS A 111 41.300 -48.641 -80.862 1.00 14.55 O ATOM 1662 CB HIS A 111 41.658 -51.986 -81.928 1.00 53.54 C ATOM 1663 CG HIS A 111 40.699 -53.136 -81.888 1.00 43.23 C ATOM 1664 ND1 HIS A 111 40.700 -54.081 -80.885 1.00 20.34 N ATOM 1665 CD2 HIS A 111 39.704 -53.489 -82.735 1.00 63.02 C ATOM 1666 CE1 HIS A 111 39.748 -54.967 -81.117 1.00 21.42 C ATOM 1667 NE2 HIS A 111 39.129 -54.630 -82.234 1.00 33.53 N ATOM 0 H HIS A 111 42.485 -50.375 -83.601 1.00 74.53 H new ATOM 0 HA HIS A 111 39.951 -50.801 -82.472 1.00 75.13 H new ATOM 0 HB2 HIS A 111 42.388 -52.159 -82.719 1.00 53.54 H new ATOM 0 HB3 HIS A 111 42.209 -51.950 -80.988 1.00 53.54 H new ATOM 0 HD2 HIS A 111 39.416 -52.970 -83.637 1.00 63.02 H new ATOM 0 HE1 HIS A 111 39.515 -55.821 -80.499 1.00 21.42 H new ATOM 0 HE2 HIS A 111 38.350 -55.136 -82.656 1.00 33.53 H new ATOM 1675 N ALA A 112 40.594 -50.478 -79.772 1.00 3.04 N ATOM 1676 CA ALA A 112 40.544 -49.821 -78.471 1.00 73.05 C ATOM 1677 C ALA A 112 40.503 -50.844 -77.341 1.00 11.41 C ATOM 1678 O ALA A 112 40.064 -51.978 -77.532 1.00 35.41 O ATOM 1679 CB ALA A 112 39.337 -48.897 -78.394 1.00 24.03 C ATOM 0 H ALA A 112 40.318 -51.460 -79.760 1.00 3.04 H new ATOM 0 HA ALA A 112 41.451 -49.227 -78.355 1.00 73.05 H new ATOM 0 HB1 ALA A 112 39.311 -48.413 -77.418 1.00 24.03 H new ATOM 0 HB2 ALA A 112 39.409 -48.139 -79.174 1.00 24.03 H new ATOM 0 HB3 ALA A 112 38.425 -49.477 -78.535 1.00 24.03 H new ATOM 1685 N LEU A 113 40.964 -50.436 -76.164 1.00 12.42 N ATOM 1686 CA LEU A 113 40.981 -51.317 -75.001 1.00 73.15 C ATOM 1687 C LEU A 113 40.191 -50.710 -73.846 1.00 74.34 C ATOM 1688 O LEU A 113 40.093 -49.490 -73.722 1.00 14.01 O ATOM 1689 CB LEU A 113 42.421 -51.588 -74.563 1.00 11.43 C ATOM 1690 CG LEU A 113 43.437 -50.490 -74.880 1.00 52.14 C ATOM 1691 CD1 LEU A 113 44.445 -50.353 -73.751 1.00 4.24 C ATOM 1692 CD2 LEU A 113 44.143 -50.782 -76.196 1.00 44.32 C ATOM 0 H LEU A 113 41.331 -49.501 -75.989 1.00 12.42 H new ATOM 0 HA LEU A 113 40.510 -52.259 -75.283 1.00 73.15 H new ATOM 0 HB2 LEU A 113 42.426 -51.760 -73.487 1.00 11.43 H new ATOM 0 HB3 LEU A 113 42.755 -52.512 -75.035 1.00 11.43 H new ATOM 0 HG LEU A 113 42.903 -49.545 -74.978 1.00 52.14 H new ATOM 0 HD11 LEU A 113 45.160 -49.567 -73.995 1.00 4.24 H new ATOM 0 HD12 LEU A 113 43.925 -50.097 -72.828 1.00 4.24 H new ATOM 0 HD13 LEU A 113 44.974 -51.297 -73.619 1.00 4.24 H new ATOM 0 HD21 LEU A 113 44.863 -49.991 -76.406 1.00 44.32 H new ATOM 0 HD22 LEU A 113 44.664 -51.737 -76.125 1.00 44.32 H new ATOM 0 HD23 LEU A 113 43.409 -50.828 -77.000 1.00 44.32 H new ATOM 1704 N ALA A 114 39.630 -51.571 -73.003 1.00 25.02 N ATOM 1705 CA ALA A 114 38.853 -51.120 -71.855 1.00 51.14 C ATOM 1706 C ALA A 114 39.273 -51.852 -70.585 1.00 44.33 C ATOM 1707 O ALA A 114 39.300 -53.081 -70.546 1.00 60.44 O ATOM 1708 CB ALA A 114 37.367 -51.319 -72.114 1.00 13.31 C ATOM 0 H ALA A 114 39.699 -52.585 -73.094 1.00 25.02 H new ATOM 0 HA ALA A 114 39.047 -50.057 -71.711 1.00 51.14 H new ATOM 0 HB1 ALA A 114 36.798 -50.978 -71.249 1.00 13.31 H new ATOM 0 HB2 ALA A 114 37.071 -50.745 -72.992 1.00 13.31 H new ATOM 0 HB3 ALA A 114 37.166 -52.376 -72.287 1.00 13.31 H new ATOM 1714 N MET A 115 39.602 -51.087 -69.549 1.00 32.42 N ATOM 1715 CA MET A 115 40.021 -51.664 -68.277 1.00 33.53 C ATOM 1716 C MET A 115 39.476 -50.853 -67.106 1.00 13.12 C ATOM 1717 O MET A 115 39.811 -49.680 -66.940 1.00 42.41 O ATOM 1718 CB MET A 115 41.547 -51.730 -68.200 1.00 63.12 C ATOM 1719 CG MET A 115 42.208 -52.069 -69.526 1.00 63.43 C ATOM 1720 SD MET A 115 43.790 -52.911 -69.319 1.00 55.31 S ATOM 1721 CE MET A 115 44.542 -51.907 -68.040 1.00 72.42 C ATOM 0 H MET A 115 39.587 -50.067 -69.565 1.00 32.42 H new ATOM 0 HA MET A 115 39.617 -52.675 -68.215 1.00 33.53 H new ATOM 0 HB2 MET A 115 41.927 -50.771 -67.849 1.00 63.12 H new ATOM 0 HB3 MET A 115 41.833 -52.477 -67.459 1.00 63.12 H new ATOM 0 HG2 MET A 115 41.539 -52.700 -70.110 1.00 63.43 H new ATOM 0 HG3 MET A 115 42.360 -51.153 -70.096 1.00 63.43 H new ATOM 0 HE1 MET A 115 45.490 -51.508 -68.401 1.00 72.42 H new ATOM 0 HE2 MET A 115 43.875 -51.084 -67.785 1.00 72.42 H new ATOM 0 HE3 MET A 115 44.719 -52.518 -67.155 1.00 72.42 H new ATOM 1731 N THR A 116 38.632 -51.485 -66.295 1.00 44.41 N ATOM 1732 CA THR A 116 38.040 -50.821 -65.141 1.00 11.12 C ATOM 1733 C THR A 116 38.288 -51.614 -63.863 1.00 75.51 C ATOM 1734 O THR A 116 38.035 -52.819 -63.808 1.00 53.52 O ATOM 1735 CB THR A 116 36.523 -50.624 -65.323 1.00 41.24 C ATOM 1736 OG1 THR A 116 35.827 -51.069 -64.154 1.00 71.41 O ATOM 1737 CG2 THR A 116 36.021 -51.386 -66.540 1.00 70.32 C ATOM 0 H THR A 116 38.344 -52.456 -66.417 1.00 44.41 H new ATOM 0 HA THR A 116 38.518 -49.845 -65.058 1.00 11.12 H new ATOM 0 HB THR A 116 36.333 -49.562 -65.475 1.00 41.24 H new ATOM 0 HG1 THR A 116 35.741 -52.045 -64.176 1.00 71.41 H new ATOM 0 HG21 THR A 116 34.947 -51.232 -66.648 1.00 70.32 H new ATOM 0 HG22 THR A 116 36.531 -51.024 -67.432 1.00 70.32 H new ATOM 0 HG23 THR A 116 36.224 -52.449 -66.413 1.00 70.32 H new ATOM 1745 N THR A 117 38.783 -50.933 -62.835 1.00 44.30 N ATOM 1746 CA THR A 117 39.066 -51.574 -61.557 1.00 74.43 C ATOM 1747 C THR A 117 38.307 -50.897 -60.422 1.00 54.32 C ATOM 1748 O THR A 117 38.614 -49.766 -60.044 1.00 30.23 O ATOM 1749 CB THR A 117 40.572 -51.551 -61.238 1.00 23.32 C ATOM 1750 OG1 THR A 117 40.780 -51.781 -59.840 1.00 23.32 O ATOM 1751 CG2 THR A 117 41.189 -50.219 -61.635 1.00 4.31 C ATOM 0 H THR A 117 38.997 -49.936 -62.863 1.00 44.30 H new ATOM 0 HA THR A 117 38.737 -52.609 -61.643 1.00 74.43 H new ATOM 0 HB THR A 117 41.055 -52.342 -61.812 1.00 23.32 H new ATOM 0 HG1 THR A 117 41.641 -52.230 -59.707 1.00 23.32 H new ATOM 0 HG21 THR A 117 42.253 -50.227 -61.400 1.00 4.31 H new ATOM 0 HG22 THR A 117 41.055 -50.060 -62.705 1.00 4.31 H new ATOM 0 HG23 THR A 117 40.702 -49.414 -61.085 1.00 4.31 H new ATOM 1759 N LYS A 118 37.314 -51.594 -59.881 1.00 73.54 N ATOM 1760 CA LYS A 118 36.511 -51.062 -58.787 1.00 52.41 C ATOM 1761 C LYS A 118 36.451 -52.048 -57.625 1.00 64.12 C ATOM 1762 O LYS A 118 36.347 -53.258 -57.829 1.00 31.23 O ATOM 1763 CB LYS A 118 35.095 -50.744 -59.274 1.00 32.54 C ATOM 1764 CG LYS A 118 34.168 -50.257 -58.173 1.00 24.51 C ATOM 1765 CD LYS A 118 33.046 -51.247 -57.910 1.00 72.34 C ATOM 1766 CE LYS A 118 31.811 -50.921 -58.736 1.00 33.11 C ATOM 1767 NZ LYS A 118 30.554 -51.162 -57.974 1.00 24.24 N ATOM 0 H LYS A 118 37.046 -52.531 -60.183 1.00 73.54 H new ATOM 0 HA LYS A 118 36.983 -50.144 -58.437 1.00 52.41 H new ATOM 0 HB2 LYS A 118 35.150 -49.984 -60.054 1.00 32.54 H new ATOM 0 HB3 LYS A 118 34.667 -51.637 -59.729 1.00 32.54 H new ATOM 0 HG2 LYS A 118 34.739 -50.101 -57.258 1.00 24.51 H new ATOM 0 HG3 LYS A 118 33.745 -49.292 -58.453 1.00 24.51 H new ATOM 0 HD2 LYS A 118 33.386 -52.255 -58.145 1.00 72.34 H new ATOM 0 HD3 LYS A 118 32.790 -51.236 -56.851 1.00 72.34 H new ATOM 0 HE2 LYS A 118 31.850 -49.878 -59.052 1.00 33.11 H new ATOM 0 HE3 LYS A 118 31.809 -51.528 -59.641 1.00 33.11 H new ATOM 0 HZ1 LYS A 118 29.736 -50.928 -58.572 1.00 24.24 H new ATOM 0 HZ2 LYS A 118 30.504 -52.162 -57.694 1.00 24.24 H new ATOM 0 HZ3 LYS A 118 30.544 -50.564 -57.123 1.00 24.24 H new ATOM 1781 N THR A 119 36.517 -51.524 -56.405 1.00 44.43 N ATOM 1782 CA THR A 119 36.471 -52.358 -55.211 1.00 51.32 C ATOM 1783 C THR A 119 35.198 -53.196 -55.176 1.00 24.35 C ATOM 1784 O THR A 119 34.208 -52.893 -55.841 1.00 34.25 O ATOM 1785 CB THR A 119 36.548 -51.508 -53.929 1.00 2.21 C ATOM 1786 OG1 THR A 119 35.908 -50.244 -54.139 1.00 64.14 O ATOM 1787 CG2 THR A 119 37.995 -51.287 -53.513 1.00 15.44 C ATOM 0 H THR A 119 36.603 -50.525 -56.218 1.00 44.43 H new ATOM 0 HA THR A 119 37.337 -53.018 -55.252 1.00 51.32 H new ATOM 0 HB THR A 119 36.035 -52.046 -53.132 1.00 2.21 H new ATOM 0 HG1 THR A 119 35.960 -49.710 -53.319 1.00 64.14 H new ATOM 0 HG21 THR A 119 38.025 -50.684 -52.605 1.00 15.44 H new ATOM 0 HG22 THR A 119 38.471 -52.250 -53.325 1.00 15.44 H new ATOM 0 HG23 THR A 119 38.528 -50.769 -54.310 1.00 15.44 H new