USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 THR OG1 : rot -179:sc= -1.68 USER MOD Set 1.2: A 83 SER OG : rot -150:sc= -0.607 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -65:sc= -0.211 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.078) USER MOD Single : A 45 SER OG : rot 180:sc= -0.721 USER MOD Single : A 48 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.032) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.14 K(o=-3.1,f=-1.5) USER MOD Single : A 55 SER OG : rot 165:sc= -0.816 USER MOD Single : A 56 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0046) USER MOD Single : A 75 THR OG1 : rot -150:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -8.61! C(o=-8.6!,f=-12!) USER MOD Single : A 82 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -0.744 (180deg=-0.846) USER MOD Single : A 90 THR OG1 : rot 50:sc= 1.01 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-3.5!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 150:sc=-0.00301 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -81:sc= -0.73 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0576 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 32.336 -48.457 -72.875 1.00 5.23 N ATOM 472 CA ALA A 33 33.009 -47.797 -73.987 1.00 4.03 C ATOM 473 C ALA A 33 33.949 -48.758 -74.708 1.00 10.53 C ATOM 474 O ALA A 33 34.441 -49.719 -74.119 1.00 3.02 O ATOM 475 CB ALA A 33 33.775 -46.579 -73.492 1.00 51.52 C ATOM 0 HA ALA A 33 32.249 -47.471 -74.698 1.00 4.03 H new ATOM 0 HB1 ALA A 33 34.273 -46.096 -74.333 1.00 51.52 H new ATOM 0 HB2 ALA A 33 33.082 -45.877 -73.028 1.00 51.52 H new ATOM 0 HB3 ALA A 33 34.520 -46.891 -72.760 1.00 51.52 H new ATOM 481 N GLY A 34 34.193 -48.491 -75.987 1.00 41.23 N ATOM 482 CA GLY A 34 35.072 -49.342 -76.768 1.00 4.53 C ATOM 483 C GLY A 34 36.424 -49.538 -76.110 1.00 13.45 C ATOM 484 O GLY A 34 36.987 -50.631 -76.148 1.00 4.22 O ATOM 0 H GLY A 34 33.798 -47.701 -76.497 1.00 41.23 H new ATOM 0 HA2 GLY A 34 34.598 -50.313 -76.913 1.00 4.53 H new ATOM 0 HA3 GLY A 34 35.212 -48.904 -77.756 1.00 4.53 H new ATOM 488 N ALA A 35 36.946 -48.475 -75.505 1.00 74.23 N ATOM 489 CA ALA A 35 38.239 -48.536 -74.836 1.00 10.42 C ATOM 490 C ALA A 35 38.220 -49.547 -73.695 1.00 32.21 C ATOM 491 O ALA A 35 39.257 -50.095 -73.321 1.00 44.12 O ATOM 492 CB ALA A 35 38.630 -47.160 -74.317 1.00 53.43 C ATOM 0 H ALA A 35 36.493 -47.562 -75.465 1.00 74.23 H new ATOM 0 HA ALA A 35 38.982 -48.863 -75.564 1.00 10.42 H new ATOM 0 HB1 ALA A 35 39.598 -47.220 -73.819 1.00 53.43 H new ATOM 0 HB2 ALA A 35 38.694 -46.461 -75.151 1.00 53.43 H new ATOM 0 HB3 ALA A 35 37.879 -46.812 -73.608 1.00 53.43 H new ATOM 498 N ILE A 36 37.035 -49.790 -73.145 1.00 54.24 N ATOM 499 CA ILE A 36 36.882 -50.736 -72.047 1.00 54.12 C ATOM 500 C ILE A 36 37.535 -52.073 -72.379 1.00 32.32 C ATOM 501 O ILE A 36 38.023 -52.775 -71.493 1.00 61.30 O ATOM 502 CB ILE A 36 35.397 -50.972 -71.710 1.00 44.11 C ATOM 503 CG1 ILE A 36 35.239 -51.332 -70.231 1.00 52.25 C ATOM 504 CG2 ILE A 36 34.822 -52.069 -72.593 1.00 32.23 C ATOM 505 CD1 ILE A 36 34.230 -50.470 -69.505 1.00 3.04 C ATOM 0 H ILE A 36 36.167 -49.345 -73.442 1.00 54.24 H new ATOM 0 HA ILE A 36 37.377 -50.297 -71.181 1.00 54.12 H new ATOM 0 HB ILE A 36 34.845 -50.052 -71.902 1.00 44.11 H new ATOM 0 HG12 ILE A 36 34.938 -52.377 -70.150 1.00 52.25 H new ATOM 0 HG13 ILE A 36 36.206 -51.239 -69.737 1.00 52.25 H new ATOM 0 HG21 ILE A 36 33.772 -52.224 -72.343 1.00 32.23 H new ATOM 0 HG22 ILE A 36 34.906 -51.776 -73.639 1.00 32.23 H new ATOM 0 HG23 ILE A 36 35.375 -52.994 -72.430 1.00 32.23 H new ATOM 0 HD11 ILE A 36 34.170 -50.781 -68.462 1.00 3.04 H new ATOM 0 HD12 ILE A 36 34.540 -49.426 -69.555 1.00 3.04 H new ATOM 0 HD13 ILE A 36 33.252 -50.581 -69.974 1.00 3.04 H new ATOM 517 N LYS A 37 37.542 -52.420 -73.661 1.00 71.15 N ATOM 518 CA LYS A 37 38.138 -53.672 -74.113 1.00 11.12 C ATOM 519 C LYS A 37 39.635 -53.697 -73.824 1.00 45.20 C ATOM 520 O LYS A 37 40.182 -54.723 -73.419 1.00 42.32 O ATOM 521 CB LYS A 37 37.893 -53.866 -75.611 1.00 24.10 C ATOM 522 CG LYS A 37 36.940 -55.005 -75.929 1.00 52.21 C ATOM 523 CD LYS A 37 37.672 -56.331 -76.039 1.00 24.53 C ATOM 524 CE LYS A 37 38.177 -56.575 -77.453 1.00 13.41 C ATOM 525 NZ LYS A 37 39.647 -56.808 -77.485 1.00 41.11 N ATOM 0 H LYS A 37 37.141 -51.851 -74.407 1.00 71.15 H new ATOM 0 HA LYS A 37 37.667 -54.488 -73.566 1.00 11.12 H new ATOM 0 HB2 LYS A 37 37.493 -52.942 -76.028 1.00 24.10 H new ATOM 0 HB3 LYS A 37 38.846 -54.052 -76.105 1.00 24.10 H new ATOM 0 HG2 LYS A 37 36.179 -55.072 -75.151 1.00 52.21 H new ATOM 0 HG3 LYS A 37 36.421 -54.796 -76.865 1.00 52.21 H new ATOM 0 HD2 LYS A 37 38.512 -56.342 -75.345 1.00 24.53 H new ATOM 0 HD3 LYS A 37 37.005 -57.141 -75.745 1.00 24.53 H new ATOM 0 HE2 LYS A 37 37.663 -57.437 -77.878 1.00 13.41 H new ATOM 0 HE3 LYS A 37 37.932 -55.717 -78.079 1.00 13.41 H new ATOM 0 HZ1 LYS A 37 39.952 -56.970 -78.466 1.00 41.11 H new ATOM 0 HZ2 LYS A 37 40.139 -55.975 -77.103 1.00 41.11 H new ATOM 0 HZ3 LYS A 37 39.879 -57.642 -76.908 1.00 41.11 H new ATOM 539 N SER A 38 40.293 -52.561 -74.033 1.00 51.34 N ATOM 540 CA SER A 38 41.728 -52.453 -73.798 1.00 31.44 C ATOM 541 C SER A 38 42.050 -52.629 -72.317 1.00 33.24 C ATOM 542 O SER A 38 42.978 -53.351 -71.952 1.00 70.30 O ATOM 543 CB SER A 38 42.247 -51.100 -74.287 1.00 13.24 C ATOM 544 OG SER A 38 42.054 -50.095 -73.306 1.00 21.22 O ATOM 0 H SER A 38 39.855 -51.702 -74.365 1.00 51.34 H new ATOM 0 HA SER A 38 42.223 -53.247 -74.357 1.00 31.44 H new ATOM 0 HB2 SER A 38 43.307 -51.179 -74.528 1.00 13.24 H new ATOM 0 HB3 SER A 38 41.732 -50.820 -75.206 1.00 13.24 H new ATOM 0 HG SER A 38 41.094 -49.950 -73.171 1.00 21.22 H new ATOM 550 N LYS A 39 41.276 -51.963 -71.466 1.00 74.54 N ATOM 551 CA LYS A 39 41.475 -52.045 -70.024 1.00 70.24 C ATOM 552 C LYS A 39 41.250 -53.468 -69.524 1.00 35.33 C ATOM 553 O LYS A 39 41.899 -53.915 -68.578 1.00 10.51 O ATOM 554 CB LYS A 39 40.528 -51.083 -69.303 1.00 25.34 C ATOM 555 CG LYS A 39 39.311 -51.764 -68.702 1.00 20.42 C ATOM 556 CD LYS A 39 38.306 -50.751 -68.180 1.00 23.25 C ATOM 557 CE LYS A 39 37.214 -51.421 -67.359 1.00 45.02 C ATOM 558 NZ LYS A 39 36.283 -50.426 -66.759 1.00 32.42 N ATOM 0 H LYS A 39 40.504 -51.360 -71.751 1.00 74.54 H new ATOM 0 HA LYS A 39 42.505 -51.762 -69.807 1.00 70.24 H new ATOM 0 HB2 LYS A 39 41.076 -50.572 -68.511 1.00 25.34 H new ATOM 0 HB3 LYS A 39 40.196 -50.318 -70.005 1.00 25.34 H new ATOM 0 HG2 LYS A 39 38.837 -52.394 -69.455 1.00 20.42 H new ATOM 0 HG3 LYS A 39 39.624 -52.419 -67.889 1.00 20.42 H new ATOM 0 HD2 LYS A 39 38.820 -50.010 -67.568 1.00 23.25 H new ATOM 0 HD3 LYS A 39 37.857 -50.217 -69.018 1.00 23.25 H new ATOM 0 HE2 LYS A 39 36.653 -52.108 -67.993 1.00 45.02 H new ATOM 0 HE3 LYS A 39 37.668 -52.017 -66.567 1.00 45.02 H new ATOM 0 HZ1 LYS A 39 35.497 -50.923 -66.293 1.00 32.42 H new ATOM 0 HZ2 LYS A 39 36.793 -49.852 -66.058 1.00 32.42 H new ATOM 0 HZ3 LYS A 39 35.907 -49.808 -67.506 1.00 32.42 H new ATOM 572 N VAL A 40 40.326 -54.177 -70.165 1.00 71.22 N ATOM 573 CA VAL A 40 40.017 -55.551 -69.787 1.00 11.25 C ATOM 574 C VAL A 40 41.234 -56.454 -69.952 1.00 42.42 C ATOM 575 O VAL A 40 41.504 -57.308 -69.109 1.00 4.11 O ATOM 576 CB VAL A 40 38.854 -56.116 -70.624 1.00 45.02 C ATOM 577 CG1 VAL A 40 38.718 -57.615 -70.405 1.00 54.00 C ATOM 578 CG2 VAL A 40 37.556 -55.399 -70.286 1.00 4.44 C ATOM 0 H VAL A 40 39.778 -53.822 -70.949 1.00 71.22 H new ATOM 0 HA VAL A 40 39.723 -55.532 -68.738 1.00 11.25 H new ATOM 0 HB VAL A 40 39.072 -55.945 -71.678 1.00 45.02 H new ATOM 0 HG11 VAL A 40 37.891 -57.997 -71.004 1.00 54.00 H new ATOM 0 HG12 VAL A 40 39.642 -58.111 -70.703 1.00 54.00 H new ATOM 0 HG13 VAL A 40 38.523 -57.813 -69.351 1.00 54.00 H new ATOM 0 HG21 VAL A 40 36.745 -55.811 -70.887 1.00 4.44 H new ATOM 0 HG22 VAL A 40 37.330 -55.536 -69.229 1.00 4.44 H new ATOM 0 HG23 VAL A 40 37.661 -54.335 -70.500 1.00 4.44 H new ATOM 588 N GLU A 41 41.965 -56.257 -71.045 1.00 64.40 N ATOM 589 CA GLU A 41 43.155 -57.055 -71.321 1.00 55.00 C ATOM 590 C GLU A 41 44.202 -56.867 -70.227 1.00 51.54 C ATOM 591 O GLU A 41 45.025 -57.748 -69.983 1.00 32.22 O ATOM 592 CB GLU A 41 43.746 -56.675 -72.680 1.00 63.30 C ATOM 593 CG GLU A 41 44.826 -55.610 -72.597 1.00 44.24 C ATOM 594 CD GLU A 41 46.203 -56.193 -72.346 1.00 22.12 C ATOM 595 OE1 GLU A 41 46.440 -57.351 -72.748 1.00 21.32 O ATOM 596 OE2 GLU A 41 47.044 -55.490 -71.747 1.00 21.43 O ATOM 0 H GLU A 41 41.755 -55.553 -71.753 1.00 64.40 H new ATOM 0 HA GLU A 41 42.861 -58.105 -71.341 1.00 55.00 H new ATOM 0 HB2 GLU A 41 44.162 -57.567 -73.148 1.00 63.30 H new ATOM 0 HB3 GLU A 41 42.945 -56.319 -73.328 1.00 63.30 H new ATOM 0 HG2 GLU A 41 44.841 -55.040 -73.526 1.00 44.24 H new ATOM 0 HG3 GLU A 41 44.581 -54.911 -71.798 1.00 44.24 H new ATOM 603 N ALA A 42 44.164 -55.710 -69.573 1.00 64.23 N ATOM 604 CA ALA A 42 45.108 -55.406 -68.505 1.00 44.22 C ATOM 605 C ALA A 42 44.670 -56.037 -67.188 1.00 74.12 C ATOM 606 O ALA A 42 45.484 -56.254 -66.291 1.00 53.42 O ATOM 607 CB ALA A 42 45.258 -53.900 -68.347 1.00 24.02 C ATOM 0 H ALA A 42 43.490 -54.969 -69.764 1.00 64.23 H new ATOM 0 HA ALA A 42 46.075 -55.830 -68.776 1.00 44.22 H new ATOM 0 HB1 ALA A 42 45.966 -53.687 -67.546 1.00 24.02 H new ATOM 0 HB2 ALA A 42 45.625 -53.471 -69.279 1.00 24.02 H new ATOM 0 HB3 ALA A 42 44.290 -53.462 -68.102 1.00 24.02 H new ATOM 613 N ALA A 43 43.378 -56.329 -67.079 1.00 32.40 N ATOM 614 CA ALA A 43 42.831 -56.937 -65.872 1.00 25.01 C ATOM 615 C ALA A 43 43.479 -58.290 -65.597 1.00 74.23 C ATOM 616 O ALA A 43 43.485 -58.768 -64.462 1.00 4.21 O ATOM 617 CB ALA A 43 41.322 -57.086 -65.993 1.00 22.32 C ATOM 0 H ALA A 43 42.691 -56.154 -67.812 1.00 32.40 H new ATOM 0 HA ALA A 43 43.053 -56.280 -65.031 1.00 25.01 H new ATOM 0 HB1 ALA A 43 40.927 -57.541 -65.085 1.00 22.32 H new ATOM 0 HB2 ALA A 43 40.870 -56.104 -66.133 1.00 22.32 H new ATOM 0 HB3 ALA A 43 41.086 -57.719 -66.848 1.00 22.32 H new ATOM 623 N LEU A 44 44.021 -58.904 -66.643 1.00 30.31 N ATOM 624 CA LEU A 44 44.671 -60.204 -66.515 1.00 34.25 C ATOM 625 C LEU A 44 45.856 -60.128 -65.558 1.00 23.30 C ATOM 626 O LEU A 44 46.167 -61.094 -64.861 1.00 63.22 O ATOM 627 CB LEU A 44 45.137 -60.701 -67.884 1.00 53.12 C ATOM 628 CG LEU A 44 44.073 -61.376 -68.751 1.00 22.42 C ATOM 629 CD1 LEU A 44 43.510 -62.601 -68.047 1.00 14.24 C ATOM 630 CD2 LEU A 44 42.961 -60.395 -69.091 1.00 72.42 C ATOM 0 H LEU A 44 44.023 -58.523 -67.589 1.00 30.31 H new ATOM 0 HA LEU A 44 43.944 -60.907 -66.109 1.00 34.25 H new ATOM 0 HB2 LEU A 44 45.544 -59.854 -68.437 1.00 53.12 H new ATOM 0 HB3 LEU A 44 45.955 -61.406 -67.733 1.00 53.12 H new ATOM 0 HG LEU A 44 44.541 -61.700 -69.681 1.00 22.42 H new ATOM 0 HD11 LEU A 44 42.754 -63.068 -68.679 1.00 14.24 H new ATOM 0 HD12 LEU A 44 44.314 -63.312 -67.856 1.00 14.24 H new ATOM 0 HD13 LEU A 44 43.058 -62.302 -67.101 1.00 14.24 H new ATOM 0 HD21 LEU A 44 42.213 -60.893 -69.708 1.00 72.42 H new ATOM 0 HD22 LEU A 44 42.495 -60.040 -68.172 1.00 72.42 H new ATOM 0 HD23 LEU A 44 43.377 -59.548 -69.637 1.00 72.42 H new ATOM 642 N SER A 45 46.513 -58.973 -65.528 1.00 62.24 N ATOM 643 CA SER A 45 47.666 -58.771 -64.658 1.00 72.43 C ATOM 644 C SER A 45 47.266 -58.019 -63.393 1.00 32.35 C ATOM 645 O SER A 45 46.234 -57.349 -63.338 1.00 24.35 O ATOM 646 CB SER A 45 48.761 -58.001 -65.398 1.00 63.20 C ATOM 647 OG SER A 45 49.953 -58.764 -65.482 1.00 11.52 O ATOM 0 H SER A 45 46.267 -58.163 -66.096 1.00 62.24 H new ATOM 0 HA SER A 45 48.050 -59.750 -64.372 1.00 72.43 H new ATOM 0 HB2 SER A 45 48.417 -57.746 -66.400 1.00 63.20 H new ATOM 0 HB3 SER A 45 48.962 -57.062 -64.882 1.00 63.20 H new ATOM 0 HG SER A 45 50.637 -58.251 -65.961 1.00 11.52 H new ATOM 653 N PRO A 46 48.101 -58.132 -62.349 1.00 64.13 N ATOM 654 CA PRO A 46 47.857 -57.470 -61.064 1.00 44.15 C ATOM 655 C PRO A 46 48.016 -55.956 -61.153 1.00 51.12 C ATOM 656 O PRO A 46 49.132 -55.440 -61.215 1.00 65.24 O ATOM 657 CB PRO A 46 48.929 -58.067 -60.149 1.00 12.14 C ATOM 658 CG PRO A 46 50.022 -58.488 -61.069 1.00 2.41 C ATOM 659 CD PRO A 46 49.349 -58.914 -62.344 1.00 61.21 C ATOM 0 HA PRO A 46 46.838 -57.629 -60.710 1.00 44.15 H new ATOM 0 HB2 PRO A 46 49.283 -57.334 -59.423 1.00 12.14 H new ATOM 0 HB3 PRO A 46 48.540 -58.914 -59.583 1.00 12.14 H new ATOM 0 HG2 PRO A 46 50.717 -57.668 -61.250 1.00 2.41 H new ATOM 0 HG3 PRO A 46 50.599 -59.307 -60.640 1.00 2.41 H new ATOM 0 HD2 PRO A 46 49.965 -58.694 -63.216 1.00 61.21 H new ATOM 0 HD3 PRO A 46 49.152 -59.986 -62.355 1.00 61.21 H new ATOM 667 N THR A 47 46.891 -55.247 -61.158 1.00 42.13 N ATOM 668 CA THR A 47 46.905 -53.792 -61.240 1.00 43.11 C ATOM 669 C THR A 47 45.496 -53.221 -61.132 1.00 72.55 C ATOM 670 O THR A 47 44.542 -53.947 -60.849 1.00 53.41 O ATOM 671 CB THR A 47 47.543 -53.309 -62.557 1.00 30.44 C ATOM 672 OG1 THR A 47 47.769 -51.896 -62.503 1.00 31.45 O ATOM 673 CG2 THR A 47 46.651 -53.640 -63.743 1.00 74.33 C ATOM 0 H THR A 47 45.959 -55.657 -61.106 1.00 42.13 H new ATOM 0 HA THR A 47 47.504 -53.435 -60.402 1.00 43.11 H new ATOM 0 HB THR A 47 48.495 -53.824 -62.684 1.00 30.44 H new ATOM 0 HG1 THR A 47 48.161 -51.595 -63.349 1.00 31.45 H new ATOM 0 HG21 THR A 47 47.122 -53.290 -64.661 1.00 74.33 H new ATOM 0 HG22 THR A 47 46.505 -54.719 -63.799 1.00 74.33 H new ATOM 0 HG23 THR A 47 45.685 -53.149 -63.620 1.00 74.33 H new ATOM 681 N HIS A 48 45.371 -51.918 -61.361 1.00 12.10 N ATOM 682 CA HIS A 48 44.076 -51.250 -61.291 1.00 31.22 C ATOM 683 C HIS A 48 43.806 -50.453 -62.563 1.00 43.32 C ATOM 684 O HIS A 48 44.602 -49.598 -62.953 1.00 2.13 O ATOM 685 CB HIS A 48 44.020 -50.326 -60.074 1.00 44.22 C ATOM 686 CG HIS A 48 42.746 -49.546 -59.972 1.00 52.02 C ATOM 687 ND1 HIS A 48 41.717 -49.893 -59.122 1.00 60.22 N ATOM 688 CD2 HIS A 48 42.337 -48.429 -60.618 1.00 61.04 C ATOM 689 CE1 HIS A 48 40.730 -49.025 -59.251 1.00 40.32 C ATOM 690 NE2 HIS A 48 41.081 -48.126 -60.153 1.00 4.42 N ATOM 0 H HIS A 48 46.150 -51.304 -61.597 1.00 12.10 H new ATOM 0 HA HIS A 48 43.305 -52.015 -61.193 1.00 31.22 H new ATOM 0 HB2 HIS A 48 44.145 -50.922 -59.170 1.00 44.22 H new ATOM 0 HB3 HIS A 48 44.859 -49.632 -60.117 1.00 44.22 H new ATOM 0 HD2 HIS A 48 42.895 -47.878 -61.361 1.00 61.04 H new ATOM 0 HE1 HIS A 48 39.795 -49.047 -58.711 1.00 40.32 H new ATOM 0 HE2 HIS A 48 40.512 -47.335 -60.455 1.00 4.42 H new ATOM 698 N PHE A 49 42.680 -50.739 -63.207 1.00 54.43 N ATOM 699 CA PHE A 49 42.306 -50.049 -64.437 1.00 31.31 C ATOM 700 C PHE A 49 41.032 -49.233 -64.237 1.00 45.31 C ATOM 701 O PHE A 49 40.035 -49.733 -63.716 1.00 5.33 O ATOM 702 CB PHE A 49 42.106 -51.057 -65.571 1.00 4.10 C ATOM 703 CG PHE A 49 41.361 -52.292 -65.152 1.00 4.24 C ATOM 704 CD1 PHE A 49 42.031 -53.357 -64.572 1.00 32.33 C ATOM 705 CD2 PHE A 49 39.992 -52.387 -65.338 1.00 33.33 C ATOM 706 CE1 PHE A 49 41.348 -54.495 -64.184 1.00 62.12 C ATOM 707 CE2 PHE A 49 39.304 -53.522 -64.952 1.00 32.21 C ATOM 708 CZ PHE A 49 39.983 -54.578 -64.376 1.00 10.14 C ATOM 0 H PHE A 49 42.010 -51.444 -62.898 1.00 54.43 H new ATOM 0 HA PHE A 49 43.115 -49.368 -64.703 1.00 31.31 H new ATOM 0 HB2 PHE A 49 41.564 -50.574 -66.384 1.00 4.10 H new ATOM 0 HB3 PHE A 49 43.080 -51.346 -65.965 1.00 4.10 H new ATOM 0 HD1 PHE A 49 43.099 -53.298 -64.421 1.00 32.33 H new ATOM 0 HD2 PHE A 49 39.456 -51.565 -65.790 1.00 33.33 H new ATOM 0 HE1 PHE A 49 41.881 -55.318 -63.731 1.00 62.12 H new ATOM 0 HE2 PHE A 49 38.236 -53.583 -65.101 1.00 32.21 H new ATOM 0 HZ PHE A 49 39.447 -55.467 -64.076 1.00 10.14 H new ATOM 718 N LYS A 50 41.074 -47.972 -64.655 1.00 74.12 N ATOM 719 CA LYS A 50 39.925 -47.084 -64.524 1.00 74.20 C ATOM 720 C LYS A 50 39.590 -46.427 -65.859 1.00 51.41 C ATOM 721 O LYS A 50 40.365 -45.623 -66.379 1.00 4.15 O ATOM 722 CB LYS A 50 40.202 -46.010 -63.470 1.00 33.13 C ATOM 723 CG LYS A 50 39.513 -44.686 -63.754 1.00 64.44 C ATOM 724 CD LYS A 50 38.005 -44.849 -63.838 1.00 40.04 C ATOM 725 CE LYS A 50 37.355 -44.737 -62.468 1.00 22.43 C ATOM 726 NZ LYS A 50 36.006 -44.112 -62.543 1.00 12.02 N ATOM 0 H LYS A 50 41.892 -47.542 -65.087 1.00 74.12 H new ATOM 0 HA LYS A 50 39.070 -47.682 -64.209 1.00 74.20 H new ATOM 0 HB2 LYS A 50 39.878 -46.377 -62.496 1.00 33.13 H new ATOM 0 HB3 LYS A 50 41.277 -45.844 -63.407 1.00 33.13 H new ATOM 0 HG2 LYS A 50 39.759 -43.971 -62.969 1.00 64.44 H new ATOM 0 HG3 LYS A 50 39.888 -44.273 -64.691 1.00 64.44 H new ATOM 0 HD2 LYS A 50 37.592 -44.089 -64.501 1.00 40.04 H new ATOM 0 HD3 LYS A 50 37.767 -45.818 -64.277 1.00 40.04 H new ATOM 0 HE2 LYS A 50 37.271 -45.729 -62.024 1.00 22.43 H new ATOM 0 HE3 LYS A 50 37.993 -44.146 -61.811 1.00 22.43 H new ATOM 0 HZ1 LYS A 50 35.597 -44.054 -61.589 1.00 12.02 H new ATOM 0 HZ2 LYS A 50 36.088 -43.156 -62.943 1.00 12.02 H new ATOM 0 HZ3 LYS A 50 35.389 -44.689 -63.150 1.00 12.02 H new ATOM 740 N LEU A 51 38.431 -46.772 -66.409 1.00 51.50 N ATOM 741 CA LEU A 51 37.993 -46.213 -67.684 1.00 33.24 C ATOM 742 C LEU A 51 36.581 -45.647 -67.573 1.00 52.31 C ATOM 743 O LEU A 51 35.633 -46.371 -67.270 1.00 33.53 O ATOM 744 CB LEU A 51 38.041 -47.284 -68.775 1.00 40.43 C ATOM 745 CG LEU A 51 38.025 -46.773 -70.217 1.00 35.43 C ATOM 746 CD1 LEU A 51 39.138 -47.421 -71.025 1.00 72.41 C ATOM 747 CD2 LEU A 51 36.671 -47.038 -70.861 1.00 25.43 C ATOM 0 H LEU A 51 37.778 -47.436 -65.993 1.00 51.50 H new ATOM 0 HA LEU A 51 38.670 -45.401 -67.950 1.00 33.24 H new ATOM 0 HB2 LEU A 51 38.942 -47.880 -68.632 1.00 40.43 H new ATOM 0 HB3 LEU A 51 37.191 -47.953 -68.638 1.00 40.43 H new ATOM 0 HG LEU A 51 38.194 -45.696 -70.203 1.00 35.43 H new ATOM 0 HD11 LEU A 51 39.111 -47.046 -72.048 1.00 72.41 H new ATOM 0 HD12 LEU A 51 40.101 -47.180 -70.575 1.00 72.41 H new ATOM 0 HD13 LEU A 51 39.001 -48.502 -71.032 1.00 72.41 H new ATOM 0 HD21 LEU A 51 36.677 -46.668 -71.886 1.00 25.43 H new ATOM 0 HD22 LEU A 51 36.473 -48.110 -70.863 1.00 25.43 H new ATOM 0 HD23 LEU A 51 35.893 -46.526 -70.295 1.00 25.43 H new ATOM 759 N ILE A 52 36.449 -44.348 -67.823 1.00 74.43 N ATOM 760 CA ILE A 52 35.152 -43.686 -67.755 1.00 70.02 C ATOM 761 C ILE A 52 34.851 -42.933 -69.046 1.00 51.25 C ATOM 762 O ILE A 52 35.568 -42.004 -69.417 1.00 32.32 O ATOM 763 CB ILE A 52 35.084 -42.702 -66.572 1.00 71.04 C ATOM 764 CG1 ILE A 52 33.821 -41.844 -66.667 1.00 14.05 C ATOM 765 CG2 ILE A 52 36.326 -41.824 -66.542 1.00 21.13 C ATOM 766 CD1 ILE A 52 34.084 -40.431 -67.139 1.00 75.33 C ATOM 0 H ILE A 52 37.224 -43.734 -68.074 1.00 74.43 H new ATOM 0 HA ILE A 52 34.406 -44.467 -67.611 1.00 70.02 H new ATOM 0 HB ILE A 52 35.044 -43.273 -65.645 1.00 71.04 H new ATOM 0 HG12 ILE A 52 33.118 -42.321 -67.349 1.00 14.05 H new ATOM 0 HG13 ILE A 52 33.341 -41.808 -65.689 1.00 14.05 H new ATOM 0 HG21 ILE A 52 36.263 -41.134 -65.701 1.00 21.13 H new ATOM 0 HG22 ILE A 52 37.212 -42.450 -66.433 1.00 21.13 H new ATOM 0 HG23 ILE A 52 36.394 -41.258 -67.471 1.00 21.13 H new ATOM 0 HD11 ILE A 52 33.144 -39.881 -67.182 1.00 75.33 H new ATOM 0 HD12 ILE A 52 34.763 -39.936 -66.444 1.00 75.33 H new ATOM 0 HD13 ILE A 52 34.535 -40.457 -68.131 1.00 75.33 H new ATOM 778 N ASN A 53 33.784 -43.339 -69.727 1.00 71.00 N ATOM 779 CA ASN A 53 33.387 -42.702 -70.977 1.00 55.51 C ATOM 780 C ASN A 53 32.113 -41.883 -70.789 1.00 52.13 C ATOM 781 O ASN A 53 31.080 -42.409 -70.373 1.00 43.24 O ATOM 782 CB ASN A 53 33.173 -43.755 -72.066 1.00 21.23 C ATOM 783 CG ASN A 53 31.938 -43.481 -72.902 1.00 1.41 C ATOM 784 OD1 ASN A 53 30.828 -43.868 -72.536 1.00 63.30 O ATOM 785 ND2 ASN A 53 32.126 -42.809 -74.032 1.00 2.11 N ATOM 0 H ASN A 53 33.179 -44.106 -69.434 1.00 71.00 H new ATOM 0 HA ASN A 53 34.189 -42.030 -71.284 1.00 55.51 H new ATOM 0 HB2 ASN A 53 34.048 -43.785 -72.715 1.00 21.23 H new ATOM 0 HB3 ASN A 53 33.085 -44.738 -71.604 1.00 21.23 H new ATOM 0 HD21 ASN A 53 31.332 -42.594 -74.636 1.00 2.11 H new ATOM 0 HD22 ASN A 53 33.064 -42.508 -74.296 1.00 2.11 H new ATOM 792 N ASP A 54 32.194 -40.594 -71.099 1.00 52.32 N ATOM 793 CA ASP A 54 31.048 -39.702 -70.967 1.00 14.05 C ATOM 794 C ASP A 54 30.693 -39.069 -72.309 1.00 4.15 C ATOM 795 O ASP A 54 30.173 -37.955 -72.362 1.00 52.34 O ATOM 796 CB ASP A 54 31.340 -38.611 -69.935 1.00 72.02 C ATOM 797 CG ASP A 54 31.006 -39.046 -68.522 1.00 31.12 C ATOM 798 OD1 ASP A 54 30.663 -40.232 -68.332 1.00 4.32 O ATOM 799 OD2 ASP A 54 31.086 -38.201 -67.606 1.00 3.23 O ATOM 0 H ASP A 54 33.042 -40.143 -71.444 1.00 52.32 H new ATOM 0 HA ASP A 54 30.197 -40.293 -70.629 1.00 14.05 H new ATOM 0 HB2 ASP A 54 32.394 -38.337 -69.988 1.00 72.02 H new ATOM 0 HB3 ASP A 54 30.766 -37.718 -70.182 1.00 72.02 H new ATOM 804 N SER A 55 30.980 -39.787 -73.390 1.00 5.42 N ATOM 805 CA SER A 55 30.697 -39.293 -74.732 1.00 71.04 C ATOM 806 C SER A 55 29.262 -38.786 -74.833 1.00 15.33 C ATOM 807 O SER A 55 28.434 -39.051 -73.960 1.00 24.51 O ATOM 808 CB SER A 55 30.933 -40.397 -75.765 1.00 0.01 C ATOM 809 OG SER A 55 30.601 -39.954 -77.070 1.00 20.55 O ATOM 0 H SER A 55 31.408 -40.712 -73.363 1.00 5.42 H new ATOM 0 HA SER A 55 31.373 -38.463 -74.937 1.00 71.04 H new ATOM 0 HB2 SER A 55 31.977 -40.708 -75.738 1.00 0.01 H new ATOM 0 HB3 SER A 55 30.334 -41.271 -75.511 1.00 0.01 H new ATOM 0 HG SER A 55 30.973 -40.575 -77.731 1.00 20.55 H new ATOM 815 N HIS A 56 28.973 -38.053 -75.904 1.00 31.41 N ATOM 816 CA HIS A 56 27.637 -37.508 -76.120 1.00 63.41 C ATOM 817 C HIS A 56 27.320 -37.423 -77.610 1.00 41.00 C ATOM 818 O HIS A 56 28.090 -36.859 -78.388 1.00 74.23 O ATOM 819 CB HIS A 56 27.519 -36.124 -75.481 1.00 72.34 C ATOM 820 CG HIS A 56 26.104 -35.690 -75.251 1.00 40.14 C ATOM 821 ND1 HIS A 56 25.752 -34.384 -74.983 1.00 31.14 N ATOM 822 CD2 HIS A 56 24.950 -36.397 -75.253 1.00 54.41 C ATOM 823 CE1 HIS A 56 24.442 -34.307 -74.827 1.00 44.41 C ATOM 824 NE2 HIS A 56 23.932 -35.514 -74.987 1.00 33.23 N ATOM 0 H HIS A 56 29.646 -37.823 -76.635 1.00 31.41 H new ATOM 0 HA HIS A 56 26.917 -38.179 -75.651 1.00 63.41 H new ATOM 0 HB2 HIS A 56 28.049 -36.126 -74.529 1.00 72.34 H new ATOM 0 HB3 HIS A 56 28.015 -35.394 -76.121 1.00 72.34 H new ATOM 0 HD2 HIS A 56 24.848 -37.457 -75.431 1.00 54.41 H new ATOM 0 HE1 HIS A 56 23.884 -33.409 -74.606 1.00 44.41 H new ATOM 0 HE2 HIS A 56 22.942 -35.752 -74.923 1.00 33.23 H new ATOM 1069 N THR A 75 36.552 -32.590 -72.536 1.00 53.21 N ATOM 1070 CA THR A 75 36.772 -34.030 -72.586 1.00 2.42 C ATOM 1071 C THR A 75 35.580 -34.788 -72.014 1.00 24.53 C ATOM 1072 O THR A 75 34.536 -34.201 -71.729 1.00 22.03 O ATOM 1073 CB THR A 75 38.042 -34.431 -71.811 1.00 13.40 C ATOM 1074 OG1 THR A 75 37.778 -34.427 -70.403 1.00 42.25 O ATOM 1075 CG2 THR A 75 39.188 -33.479 -72.120 1.00 55.11 C ATOM 0 HA THR A 75 36.897 -34.295 -73.636 1.00 2.42 H new ATOM 0 HB THR A 75 38.330 -35.435 -72.124 1.00 13.40 H new ATOM 0 HG1 THR A 75 38.600 -34.206 -69.917 1.00 42.25 H new ATOM 0 HG21 THR A 75 40.074 -33.782 -71.561 1.00 55.11 H new ATOM 0 HG22 THR A 75 39.406 -33.506 -73.188 1.00 55.11 H new ATOM 0 HG23 THR A 75 38.907 -32.466 -71.832 1.00 55.11 H new ATOM 1083 N HIS A 76 35.743 -36.097 -71.847 1.00 33.21 N ATOM 1084 CA HIS A 76 34.679 -36.937 -71.307 1.00 3.23 C ATOM 1085 C HIS A 76 35.167 -38.368 -71.104 1.00 60.21 C ATOM 1086 O HIS A 76 34.705 -39.071 -70.205 1.00 4.34 O ATOM 1087 CB HIS A 76 33.468 -36.926 -72.240 1.00 1.42 C ATOM 1088 CG HIS A 76 33.712 -37.616 -73.546 1.00 61.03 C ATOM 1089 ND1 HIS A 76 33.805 -38.986 -73.667 1.00 62.54 N ATOM 1090 CD2 HIS A 76 33.881 -37.117 -74.793 1.00 71.33 C ATOM 1091 CE1 HIS A 76 34.022 -39.301 -74.932 1.00 43.31 C ATOM 1092 NE2 HIS A 76 34.072 -38.184 -75.636 1.00 61.32 N ATOM 0 H HIS A 76 36.601 -36.599 -72.078 1.00 33.21 H new ATOM 0 HA HIS A 76 34.385 -36.531 -70.339 1.00 3.23 H new ATOM 0 HB2 HIS A 76 32.628 -37.405 -71.737 1.00 1.42 H new ATOM 0 HB3 HIS A 76 33.178 -35.893 -72.433 1.00 1.42 H new ATOM 0 HD1 HIS A 76 33.720 -39.653 -72.900 1.00 62.54 H new ATOM 0 HD2 HIS A 76 33.868 -36.074 -75.073 1.00 71.33 H new ATOM 0 HE1 HIS A 76 34.139 -40.301 -75.324 1.00 43.31 H new ATOM 1100 N PHE A 77 36.102 -38.794 -71.947 1.00 22.33 N ATOM 1101 CA PHE A 77 36.651 -40.143 -71.861 1.00 43.52 C ATOM 1102 C PHE A 77 38.090 -40.113 -71.354 1.00 42.31 C ATOM 1103 O PHE A 77 38.908 -39.321 -71.822 1.00 42.42 O ATOM 1104 CB PHE A 77 36.595 -40.827 -73.229 1.00 15.25 C ATOM 1105 CG PHE A 77 37.543 -41.984 -73.359 1.00 74.44 C ATOM 1106 CD1 PHE A 77 37.318 -43.163 -72.667 1.00 35.04 C ATOM 1107 CD2 PHE A 77 38.659 -41.894 -74.175 1.00 2.33 C ATOM 1108 CE1 PHE A 77 38.188 -44.230 -72.785 1.00 72.40 C ATOM 1109 CE2 PHE A 77 39.533 -42.958 -74.297 1.00 54.34 C ATOM 1110 CZ PHE A 77 39.297 -44.127 -73.601 1.00 24.02 C ATOM 0 H PHE A 77 36.495 -38.225 -72.697 1.00 22.33 H new ATOM 0 HA PHE A 77 36.046 -40.710 -71.153 1.00 43.52 H new ATOM 0 HB2 PHE A 77 35.579 -41.178 -73.410 1.00 15.25 H new ATOM 0 HB3 PHE A 77 36.821 -40.093 -74.003 1.00 15.25 H new ATOM 0 HD1 PHE A 77 36.452 -43.249 -72.027 1.00 35.04 H new ATOM 0 HD2 PHE A 77 38.848 -40.982 -74.722 1.00 2.33 H new ATOM 0 HE1 PHE A 77 38.001 -45.143 -72.240 1.00 72.40 H new ATOM 0 HE2 PHE A 77 40.400 -42.875 -74.936 1.00 54.34 H new ATOM 0 HZ PHE A 77 39.979 -44.959 -73.695 1.00 24.02 H new ATOM 1120 N ARG A 78 38.391 -40.981 -70.394 1.00 10.10 N ATOM 1121 CA ARG A 78 39.730 -41.053 -69.822 1.00 32.45 C ATOM 1122 C ARG A 78 40.041 -42.469 -69.343 1.00 54.31 C ATOM 1123 O ARG A 78 39.168 -43.166 -68.824 1.00 52.11 O ATOM 1124 CB ARG A 78 39.864 -40.069 -68.658 1.00 61.31 C ATOM 1125 CG ARG A 78 39.470 -40.658 -67.314 1.00 33.25 C ATOM 1126 CD ARG A 78 38.954 -39.587 -66.366 1.00 1.33 C ATOM 1127 NE ARG A 78 39.958 -39.202 -65.377 1.00 14.31 N ATOM 1128 CZ ARG A 78 39.836 -38.147 -64.578 1.00 73.23 C ATOM 1129 NH1 ARG A 78 38.759 -37.377 -64.651 1.00 50.05 N ATOM 1130 NH2 ARG A 78 40.792 -37.862 -63.704 1.00 10.42 N ATOM 0 H ARG A 78 37.726 -41.644 -69.996 1.00 10.10 H new ATOM 0 HA ARG A 78 40.445 -40.785 -70.600 1.00 32.45 H new ATOM 0 HB2 ARG A 78 40.896 -39.721 -68.604 1.00 61.31 H new ATOM 0 HB3 ARG A 78 39.243 -39.196 -68.858 1.00 61.31 H new ATOM 0 HG2 ARG A 78 38.702 -41.417 -67.460 1.00 33.25 H new ATOM 0 HG3 ARG A 78 40.330 -41.157 -66.868 1.00 33.25 H new ATOM 0 HD2 ARG A 78 38.654 -38.709 -66.939 1.00 1.33 H new ATOM 0 HD3 ARG A 78 38.064 -39.953 -65.855 1.00 1.33 H new ATOM 0 HE ARG A 78 40.798 -39.774 -65.295 1.00 14.31 H new ATOM 0 HH11 ARG A 78 38.022 -37.594 -65.322 1.00 50.05 H new ATOM 0 HH12 ARG A 78 38.668 -36.568 -64.037 1.00 50.05 H new ATOM 0 HH21 ARG A 78 41.621 -38.453 -63.645 1.00 10.42 H new ATOM 0 HH22 ARG A 78 40.698 -37.052 -63.091 1.00 10.42 H new ATOM 1144 N LEU A 79 41.289 -42.887 -69.521 1.00 73.04 N ATOM 1145 CA LEU A 79 41.715 -44.220 -69.109 1.00 4.45 C ATOM 1146 C LEU A 79 42.992 -44.149 -68.276 1.00 74.12 C ATOM 1147 O LEU A 79 44.035 -43.709 -68.759 1.00 35.04 O ATOM 1148 CB LEU A 79 41.940 -45.107 -70.334 1.00 25.01 C ATOM 1149 CG LEU A 79 42.302 -46.565 -70.049 1.00 72.33 C ATOM 1150 CD1 LEU A 79 43.789 -46.701 -69.763 1.00 2.40 C ATOM 1151 CD2 LEU A 79 41.482 -47.100 -68.884 1.00 73.35 C ATOM 0 H LEU A 79 42.024 -42.323 -69.948 1.00 73.04 H new ATOM 0 HA LEU A 79 40.926 -44.654 -68.495 1.00 4.45 H new ATOM 0 HB2 LEU A 79 41.035 -45.090 -70.941 1.00 25.01 H new ATOM 0 HB3 LEU A 79 42.735 -44.667 -70.935 1.00 25.01 H new ATOM 0 HG LEU A 79 42.068 -47.156 -70.934 1.00 72.33 H new ATOM 0 HD11 LEU A 79 44.027 -47.746 -69.563 1.00 2.40 H new ATOM 0 HD12 LEU A 79 44.359 -46.358 -70.627 1.00 2.40 H new ATOM 0 HD13 LEU A 79 44.049 -46.097 -68.894 1.00 2.40 H new ATOM 0 HD21 LEU A 79 41.753 -48.139 -68.695 1.00 73.35 H new ATOM 0 HD22 LEU A 79 41.684 -46.505 -67.993 1.00 73.35 H new ATOM 0 HD23 LEU A 79 40.421 -47.040 -69.128 1.00 73.35 H new ATOM 1163 N GLU A 80 42.901 -44.588 -67.025 1.00 12.25 N ATOM 1164 CA GLU A 80 44.049 -44.575 -66.126 1.00 63.32 C ATOM 1165 C GLU A 80 44.325 -45.972 -65.576 1.00 42.14 C ATOM 1166 O GLU A 80 43.401 -46.744 -65.319 1.00 3.55 O ATOM 1167 CB GLU A 80 43.812 -43.599 -64.972 1.00 52.23 C ATOM 1168 CG GLU A 80 43.647 -44.279 -63.624 1.00 2.25 C ATOM 1169 CD GLU A 80 44.971 -44.706 -63.020 1.00 61.23 C ATOM 1170 OE1 GLU A 80 45.888 -43.862 -62.945 1.00 42.30 O ATOM 1171 OE2 GLU A 80 45.090 -45.884 -62.624 1.00 25.22 O ATOM 0 H GLU A 80 42.045 -44.957 -66.611 1.00 12.25 H new ATOM 0 HA GLU A 80 44.919 -44.248 -66.695 1.00 63.32 H new ATOM 0 HB2 GLU A 80 44.649 -42.903 -64.918 1.00 52.23 H new ATOM 0 HB3 GLU A 80 42.920 -43.009 -65.184 1.00 52.23 H new ATOM 0 HG2 GLU A 80 43.141 -43.600 -62.938 1.00 2.25 H new ATOM 0 HG3 GLU A 80 43.005 -45.153 -63.738 1.00 2.25 H new ATOM 1178 N VAL A 81 45.604 -46.290 -65.400 1.00 73.10 N ATOM 1179 CA VAL A 81 46.003 -47.593 -64.881 1.00 13.33 C ATOM 1180 C VAL A 81 47.080 -47.452 -63.812 1.00 5.43 C ATOM 1181 O VAL A 81 48.114 -46.820 -64.035 1.00 62.51 O ATOM 1182 CB VAL A 81 46.526 -48.508 -66.003 1.00 74.45 C ATOM 1183 CG1 VAL A 81 46.757 -47.712 -67.278 1.00 52.43 C ATOM 1184 CG2 VAL A 81 47.801 -49.212 -65.566 1.00 4.11 C ATOM 0 H VAL A 81 46.381 -45.663 -65.609 1.00 73.10 H new ATOM 0 HA VAL A 81 45.114 -48.044 -64.440 1.00 13.33 H new ATOM 0 HB VAL A 81 45.772 -49.267 -66.209 1.00 74.45 H new ATOM 0 HG11 VAL A 81 47.127 -48.376 -68.059 1.00 52.43 H new ATOM 0 HG12 VAL A 81 45.819 -47.260 -67.600 1.00 52.43 H new ATOM 0 HG13 VAL A 81 47.491 -46.929 -67.090 1.00 52.43 H new ATOM 0 HG21 VAL A 81 48.156 -49.855 -66.372 1.00 4.11 H new ATOM 0 HG22 VAL A 81 48.564 -48.470 -65.330 1.00 4.11 H new ATOM 0 HG23 VAL A 81 47.598 -49.817 -64.682 1.00 4.11 H new ATOM 1194 N THR A 82 46.833 -48.044 -62.648 1.00 30.14 N ATOM 1195 CA THR A 82 47.781 -47.984 -61.543 1.00 24.44 C ATOM 1196 C THR A 82 48.222 -49.381 -61.120 1.00 70.21 C ATOM 1197 O THR A 82 47.420 -50.171 -60.621 1.00 4.34 O ATOM 1198 CB THR A 82 47.180 -47.258 -60.325 1.00 1.32 C ATOM 1199 OG1 THR A 82 46.820 -45.918 -60.682 1.00 24.51 O ATOM 1200 CG2 THR A 82 48.168 -47.232 -59.168 1.00 52.32 C ATOM 0 H THR A 82 45.983 -48.571 -62.446 1.00 30.14 H new ATOM 0 HA THR A 82 48.646 -47.425 -61.900 1.00 24.44 H new ATOM 0 HB THR A 82 46.289 -47.801 -60.009 1.00 1.32 H new ATOM 0 HG1 THR A 82 45.938 -45.919 -61.110 1.00 24.51 H new ATOM 0 HG21 THR A 82 47.721 -46.714 -58.319 1.00 52.32 H new ATOM 0 HG22 THR A 82 48.417 -48.253 -58.880 1.00 52.32 H new ATOM 0 HG23 THR A 82 49.074 -46.710 -59.475 1.00 52.32 H new ATOM 1208 N SER A 83 49.501 -49.680 -61.323 1.00 2.10 N ATOM 1209 CA SER A 83 50.048 -50.984 -60.965 1.00 53.35 C ATOM 1210 C SER A 83 51.124 -50.846 -59.893 1.00 43.03 C ATOM 1211 O SER A 83 52.254 -50.450 -60.180 1.00 3.02 O ATOM 1212 CB SER A 83 50.628 -51.673 -62.202 1.00 22.34 C ATOM 1213 OG SER A 83 50.405 -50.901 -63.369 1.00 33.05 O ATOM 0 H SER A 83 50.178 -49.037 -61.734 1.00 2.10 H new ATOM 0 HA SER A 83 49.238 -51.594 -60.564 1.00 53.35 H new ATOM 0 HB2 SER A 83 51.698 -51.831 -62.066 1.00 22.34 H new ATOM 0 HB3 SER A 83 50.173 -52.657 -62.321 1.00 22.34 H new ATOM 0 HG SER A 83 50.327 -51.495 -64.144 1.00 33.05 H new ATOM 1219 N ASP A 84 50.765 -51.176 -58.658 1.00 1.44 N ATOM 1220 CA ASP A 84 51.699 -51.090 -57.541 1.00 64.32 C ATOM 1221 C ASP A 84 52.040 -49.637 -57.227 1.00 50.35 C ATOM 1222 O ASP A 84 52.881 -49.356 -56.374 1.00 63.34 O ATOM 1223 CB ASP A 84 52.977 -51.870 -57.857 1.00 10.31 C ATOM 1224 CG ASP A 84 52.705 -53.125 -58.663 1.00 3.24 C ATOM 1225 OD1 ASP A 84 52.289 -54.137 -58.062 1.00 34.53 O ATOM 1226 OD2 ASP A 84 52.908 -53.094 -59.894 1.00 63.32 O ATOM 0 H ASP A 84 49.834 -51.506 -58.404 1.00 1.44 H new ATOM 0 HA ASP A 84 51.221 -51.529 -56.665 1.00 64.32 H new ATOM 0 HB2 ASP A 84 53.663 -51.228 -58.410 1.00 10.31 H new ATOM 0 HB3 ASP A 84 53.474 -52.141 -56.925 1.00 10.31 H new ATOM 1231 N ALA A 85 51.381 -48.716 -57.924 1.00 21.40 N ATOM 1232 CA ALA A 85 51.613 -47.292 -57.719 1.00 64.11 C ATOM 1233 C ALA A 85 53.103 -46.992 -57.586 1.00 35.21 C ATOM 1234 O ALA A 85 53.631 -46.902 -56.478 1.00 22.24 O ATOM 1235 CB ALA A 85 50.863 -46.807 -56.488 1.00 0.24 C ATOM 0 H ALA A 85 50.682 -48.931 -58.635 1.00 21.40 H new ATOM 0 HA ALA A 85 51.238 -46.759 -58.593 1.00 64.11 H new ATOM 0 HB1 ALA A 85 51.045 -45.742 -56.347 1.00 0.24 H new ATOM 0 HB2 ALA A 85 49.795 -46.978 -56.622 1.00 0.24 H new ATOM 0 HB3 ALA A 85 51.210 -47.354 -55.611 1.00 0.24 H new ATOM 1241 N PHE A 86 53.775 -46.839 -58.722 1.00 75.11 N ATOM 1242 CA PHE A 86 55.204 -46.551 -58.732 1.00 20.00 C ATOM 1243 C PHE A 86 55.706 -46.336 -60.157 1.00 33.40 C ATOM 1244 O PHE A 86 56.044 -47.290 -60.859 1.00 4.42 O ATOM 1245 CB PHE A 86 55.980 -47.693 -58.072 1.00 45.44 C ATOM 1246 CG PHE A 86 56.721 -47.277 -56.834 1.00 1.43 C ATOM 1247 CD1 PHE A 86 57.612 -46.216 -56.866 1.00 51.15 C ATOM 1248 CD2 PHE A 86 56.527 -47.947 -55.637 1.00 11.24 C ATOM 1249 CE1 PHE A 86 58.295 -45.830 -55.728 1.00 72.33 C ATOM 1250 CE2 PHE A 86 57.207 -47.565 -54.495 1.00 74.53 C ATOM 1251 CZ PHE A 86 58.093 -46.507 -54.541 1.00 55.24 C ATOM 0 H PHE A 86 53.353 -46.910 -59.648 1.00 75.11 H new ATOM 0 HA PHE A 86 55.369 -45.634 -58.166 1.00 20.00 H new ATOM 0 HB2 PHE A 86 55.286 -48.494 -57.818 1.00 45.44 H new ATOM 0 HB3 PHE A 86 56.690 -48.102 -58.791 1.00 45.44 H new ATOM 0 HD1 PHE A 86 57.775 -45.684 -57.792 1.00 51.15 H new ATOM 0 HD2 PHE A 86 55.837 -48.777 -55.595 1.00 11.24 H new ATOM 0 HE1 PHE A 86 58.985 -45.000 -55.767 1.00 72.33 H new ATOM 0 HE2 PHE A 86 57.045 -48.094 -53.567 1.00 74.53 H new ATOM 0 HZ PHE A 86 58.627 -46.209 -53.651 1.00 55.24 H new ATOM 1261 N LYS A 87 55.750 -45.077 -60.579 1.00 21.23 N ATOM 1262 CA LYS A 87 56.210 -44.735 -61.919 1.00 45.51 C ATOM 1263 C LYS A 87 57.733 -44.776 -61.999 1.00 2.04 C ATOM 1264 O LYS A 87 58.423 -44.113 -61.225 1.00 41.24 O ATOM 1265 CB LYS A 87 55.706 -43.345 -62.314 1.00 42.40 C ATOM 1266 CG LYS A 87 54.434 -43.372 -63.144 1.00 22.14 C ATOM 1267 CD LYS A 87 54.709 -43.024 -64.597 1.00 14.00 C ATOM 1268 CE LYS A 87 55.698 -43.993 -65.225 1.00 61.41 C ATOM 1269 NZ LYS A 87 55.176 -45.388 -65.238 1.00 23.13 N ATOM 0 H LYS A 87 55.472 -44.276 -60.012 1.00 21.23 H new ATOM 0 HA LYS A 87 55.807 -45.472 -62.613 1.00 45.51 H new ATOM 0 HB2 LYS A 87 55.528 -42.762 -61.410 1.00 42.40 H new ATOM 0 HB3 LYS A 87 56.486 -42.831 -62.876 1.00 42.40 H new ATOM 0 HG2 LYS A 87 53.981 -44.362 -63.085 1.00 22.14 H new ATOM 0 HG3 LYS A 87 53.713 -42.667 -62.730 1.00 22.14 H new ATOM 0 HD2 LYS A 87 53.775 -43.040 -65.159 1.00 14.00 H new ATOM 0 HD3 LYS A 87 55.102 -42.009 -64.661 1.00 14.00 H new ATOM 0 HE2 LYS A 87 55.917 -43.678 -66.245 1.00 61.41 H new ATOM 0 HE3 LYS A 87 56.637 -43.962 -64.673 1.00 61.41 H new ATOM 0 HZ1 LYS A 87 55.945 -46.044 -65.482 1.00 23.13 H new ATOM 0 HZ2 LYS A 87 54.801 -45.627 -64.298 1.00 23.13 H new ATOM 0 HZ3 LYS A 87 54.416 -45.468 -65.944 1.00 23.13 H new ATOM 1283 N GLY A 88 58.251 -45.559 -62.940 1.00 43.12 N ATOM 1284 CA GLY A 88 59.689 -45.671 -63.104 1.00 11.32 C ATOM 1285 C GLY A 88 60.097 -45.823 -64.556 1.00 21.44 C ATOM 1286 O GLY A 88 61.103 -45.259 -64.988 1.00 61.41 O ATOM 0 H GLY A 88 57.701 -46.118 -63.592 1.00 43.12 H new ATOM 0 HA2 GLY A 88 60.169 -44.786 -62.686 1.00 11.32 H new ATOM 0 HA3 GLY A 88 60.051 -46.529 -62.537 1.00 11.32 H new ATOM 1290 N LEU A 89 59.317 -46.589 -65.310 1.00 52.14 N ATOM 1291 CA LEU A 89 59.603 -46.816 -66.723 1.00 22.03 C ATOM 1292 C LEU A 89 58.670 -45.995 -67.606 1.00 52.25 C ATOM 1293 O LEU A 89 57.606 -45.556 -67.167 1.00 23.21 O ATOM 1294 CB LEU A 89 59.466 -48.302 -67.059 1.00 31.04 C ATOM 1295 CG LEU A 89 58.086 -48.919 -66.824 1.00 44.51 C ATOM 1296 CD1 LEU A 89 57.182 -48.674 -68.022 1.00 71.10 C ATOM 1297 CD2 LEU A 89 58.209 -50.409 -66.542 1.00 2.35 C ATOM 0 H LEU A 89 58.482 -47.064 -64.967 1.00 52.14 H new ATOM 0 HA LEU A 89 60.628 -46.499 -66.916 1.00 22.03 H new ATOM 0 HB2 LEU A 89 59.731 -48.443 -68.107 1.00 31.04 H new ATOM 0 HB3 LEU A 89 60.195 -48.856 -66.468 1.00 31.04 H new ATOM 0 HG LEU A 89 57.638 -48.441 -65.953 1.00 44.51 H new ATOM 0 HD11 LEU A 89 56.205 -49.120 -67.837 1.00 71.10 H new ATOM 0 HD12 LEU A 89 57.068 -47.601 -68.178 1.00 71.10 H new ATOM 0 HD13 LEU A 89 57.625 -49.125 -68.910 1.00 71.10 H new ATOM 0 HD21 LEU A 89 57.218 -50.831 -66.377 1.00 2.35 H new ATOM 0 HD22 LEU A 89 58.677 -50.903 -67.394 1.00 2.35 H new ATOM 0 HD23 LEU A 89 58.821 -50.562 -65.653 1.00 2.35 H new ATOM 1309 N THR A 90 59.074 -45.792 -68.857 1.00 14.43 N ATOM 1310 CA THR A 90 58.274 -45.024 -69.803 1.00 74.41 C ATOM 1311 C THR A 90 56.813 -45.460 -69.769 1.00 22.14 C ATOM 1312 O THR A 90 56.460 -46.524 -70.279 1.00 32.00 O ATOM 1313 CB THR A 90 58.808 -45.173 -71.240 1.00 51.32 C ATOM 1314 OG1 THR A 90 58.643 -46.523 -71.687 1.00 71.03 O ATOM 1315 CG2 THR A 90 60.277 -44.785 -71.314 1.00 50.40 C ATOM 0 H THR A 90 59.950 -46.149 -69.238 1.00 14.43 H new ATOM 0 HA THR A 90 58.346 -43.979 -69.502 1.00 74.41 H new ATOM 0 HB THR A 90 58.239 -44.505 -71.886 1.00 51.32 H new ATOM 0 HG1 THR A 90 57.720 -46.810 -71.527 1.00 71.03 H new ATOM 0 HG21 THR A 90 60.632 -44.898 -72.338 1.00 50.40 H new ATOM 0 HG22 THR A 90 60.395 -43.748 -71.001 1.00 50.40 H new ATOM 0 HG23 THR A 90 60.858 -45.431 -70.655 1.00 50.40 H new ATOM 1323 N LEU A 91 55.968 -44.632 -69.165 1.00 31.23 N ATOM 1324 CA LEU A 91 54.544 -44.932 -69.064 1.00 53.14 C ATOM 1325 C LEU A 91 53.946 -45.201 -70.441 1.00 55.15 C ATOM 1326 O LEU A 91 52.947 -45.910 -70.569 1.00 23.14 O ATOM 1327 CB LEU A 91 53.805 -43.773 -68.392 1.00 72.33 C ATOM 1328 CG LEU A 91 53.667 -42.495 -69.220 1.00 34.11 C ATOM 1329 CD1 LEU A 91 52.463 -41.688 -68.759 1.00 30.02 C ATOM 1330 CD2 LEU A 91 54.936 -41.661 -69.130 1.00 25.34 C ATOM 0 H LEU A 91 56.244 -43.748 -68.738 1.00 31.23 H new ATOM 0 HA LEU A 91 54.429 -45.829 -68.456 1.00 53.14 H new ATOM 0 HB2 LEU A 91 52.807 -44.115 -68.119 1.00 72.33 H new ATOM 0 HB3 LEU A 91 54.323 -43.527 -67.465 1.00 72.33 H new ATOM 0 HG LEU A 91 53.514 -42.775 -70.262 1.00 34.11 H new ATOM 0 HD11 LEU A 91 52.381 -40.782 -69.360 1.00 30.02 H new ATOM 0 HD12 LEU A 91 51.558 -42.285 -68.876 1.00 30.02 H new ATOM 0 HD13 LEU A 91 52.586 -41.418 -67.710 1.00 30.02 H new ATOM 0 HD21 LEU A 91 54.819 -40.756 -69.725 1.00 25.34 H new ATOM 0 HD22 LEU A 91 55.121 -41.390 -68.090 1.00 25.34 H new ATOM 0 HD23 LEU A 91 55.779 -42.239 -69.510 1.00 25.34 H new ATOM 1342 N VAL A 92 54.564 -44.631 -71.471 1.00 72.42 N ATOM 1343 CA VAL A 92 54.095 -44.812 -72.840 1.00 32.22 C ATOM 1344 C VAL A 92 54.040 -46.290 -73.211 1.00 52.21 C ATOM 1345 O VAL A 92 53.306 -46.687 -74.116 1.00 73.40 O ATOM 1346 CB VAL A 92 54.999 -44.075 -73.845 1.00 42.21 C ATOM 1347 CG1 VAL A 92 55.099 -42.599 -73.491 1.00 4.02 C ATOM 1348 CG2 VAL A 92 56.378 -44.716 -73.890 1.00 41.42 C ATOM 0 H VAL A 92 55.391 -44.040 -71.383 1.00 72.42 H new ATOM 0 HA VAL A 92 53.091 -44.390 -72.889 1.00 32.22 H new ATOM 0 HB VAL A 92 54.553 -44.156 -74.836 1.00 42.21 H new ATOM 0 HG11 VAL A 92 55.742 -42.095 -74.212 1.00 4.02 H new ATOM 0 HG12 VAL A 92 54.106 -42.151 -73.515 1.00 4.02 H new ATOM 0 HG13 VAL A 92 55.521 -42.492 -72.492 1.00 4.02 H new ATOM 0 HG21 VAL A 92 57.004 -44.183 -74.605 1.00 41.42 H new ATOM 0 HG22 VAL A 92 56.834 -44.667 -72.901 1.00 41.42 H new ATOM 0 HG23 VAL A 92 56.285 -45.758 -74.196 1.00 41.42 H new ATOM 1358 N LYS A 93 54.821 -47.101 -72.506 1.00 43.21 N ATOM 1359 CA LYS A 93 54.862 -48.536 -72.759 1.00 34.20 C ATOM 1360 C LYS A 93 53.530 -49.189 -72.403 1.00 31.13 C ATOM 1361 O LYS A 93 52.969 -49.949 -73.193 1.00 3.40 O ATOM 1362 CB LYS A 93 55.991 -49.185 -71.955 1.00 51.14 C ATOM 1363 CG LYS A 93 56.021 -50.700 -72.062 1.00 12.21 C ATOM 1364 CD LYS A 93 55.665 -51.359 -70.740 1.00 13.11 C ATOM 1365 CE LYS A 93 56.430 -52.658 -70.541 1.00 21.21 C ATOM 1366 NZ LYS A 93 57.482 -52.528 -69.495 1.00 11.31 N ATOM 0 H LYS A 93 55.435 -46.788 -71.754 1.00 43.21 H new ATOM 0 HA LYS A 93 55.049 -48.687 -73.822 1.00 34.20 H new ATOM 0 HB2 LYS A 93 56.946 -48.786 -72.298 1.00 51.14 H new ATOM 0 HB3 LYS A 93 55.887 -48.905 -70.907 1.00 51.14 H new ATOM 0 HG2 LYS A 93 55.321 -51.025 -72.832 1.00 12.21 H new ATOM 0 HG3 LYS A 93 57.013 -51.024 -72.376 1.00 12.21 H new ATOM 0 HD2 LYS A 93 55.887 -50.676 -69.920 1.00 13.11 H new ATOM 0 HD3 LYS A 93 54.594 -51.558 -70.708 1.00 13.11 H new ATOM 0 HE2 LYS A 93 55.735 -53.449 -70.260 1.00 21.21 H new ATOM 0 HE3 LYS A 93 56.890 -52.957 -71.483 1.00 21.21 H new ATOM 0 HZ1 LYS A 93 57.981 -53.435 -69.389 1.00 11.31 H new ATOM 0 HZ2 LYS A 93 58.160 -51.790 -69.774 1.00 11.31 H new ATOM 0 HZ3 LYS A 93 57.041 -52.268 -68.590 1.00 11.31 H new ATOM 1380 N ARG A 94 53.029 -48.887 -71.210 1.00 35.25 N ATOM 1381 CA ARG A 94 51.762 -49.445 -70.750 1.00 4.25 C ATOM 1382 C ARG A 94 50.607 -48.963 -71.622 1.00 62.23 C ATOM 1383 O ARG A 94 49.771 -49.756 -72.056 1.00 54.13 O ATOM 1384 CB ARG A 94 51.510 -49.057 -69.291 1.00 71.43 C ATOM 1385 CG ARG A 94 52.178 -49.986 -68.290 1.00 53.21 C ATOM 1386 CD ARG A 94 51.152 -50.773 -67.490 1.00 73.55 C ATOM 1387 NE ARG A 94 50.318 -51.613 -68.347 1.00 13.25 N ATOM 1388 CZ ARG A 94 49.281 -52.315 -67.902 1.00 41.42 C ATOM 1389 NH1 ARG A 94 48.953 -52.278 -66.618 1.00 53.32 N ATOM 1390 NH2 ARG A 94 48.570 -53.055 -68.743 1.00 63.11 N ATOM 0 H ARG A 94 53.480 -48.260 -70.544 1.00 35.25 H new ATOM 0 HA ARG A 94 51.823 -50.531 -70.826 1.00 4.25 H new ATOM 0 HB2 ARG A 94 51.869 -48.041 -69.127 1.00 71.43 H new ATOM 0 HB3 ARG A 94 50.436 -49.049 -69.106 1.00 71.43 H new ATOM 0 HG2 ARG A 94 52.838 -50.676 -68.816 1.00 53.21 H new ATOM 0 HG3 ARG A 94 52.801 -49.404 -67.611 1.00 53.21 H new ATOM 0 HD2 ARG A 94 51.664 -51.397 -66.758 1.00 73.55 H new ATOM 0 HD3 ARG A 94 50.519 -50.082 -66.933 1.00 73.55 H new ATOM 0 HE ARG A 94 50.544 -51.663 -69.340 1.00 13.25 H new ATOM 0 HH11 ARG A 94 49.497 -51.710 -65.969 1.00 53.32 H new ATOM 0 HH12 ARG A 94 48.157 -52.818 -66.279 1.00 53.32 H new ATOM 0 HH21 ARG A 94 48.819 -53.085 -69.732 1.00 63.11 H new ATOM 0 HH22 ARG A 94 47.774 -53.594 -68.401 1.00 63.11 H new ATOM 1404 N HIS A 95 50.567 -47.659 -71.875 1.00 41.23 N ATOM 1405 CA HIS A 95 49.514 -47.071 -72.696 1.00 65.24 C ATOM 1406 C HIS A 95 49.536 -47.655 -74.106 1.00 14.40 C ATOM 1407 O HIS A 95 48.490 -47.820 -74.734 1.00 44.33 O ATOM 1408 CB HIS A 95 49.675 -45.552 -72.758 1.00 51.02 C ATOM 1409 CG HIS A 95 49.026 -44.834 -71.615 1.00 20.20 C ATOM 1410 ND1 HIS A 95 47.896 -45.301 -70.978 1.00 12.25 N ATOM 1411 CD2 HIS A 95 49.356 -43.678 -70.994 1.00 1.31 C ATOM 1412 CE1 HIS A 95 47.558 -44.461 -70.015 1.00 73.40 C ATOM 1413 NE2 HIS A 95 48.428 -43.468 -70.004 1.00 22.14 N ATOM 0 H HIS A 95 51.251 -46.989 -71.524 1.00 41.23 H new ATOM 0 HA HIS A 95 48.554 -47.308 -72.238 1.00 65.24 H new ATOM 0 HB2 HIS A 95 50.737 -45.308 -72.774 1.00 51.02 H new ATOM 0 HB3 HIS A 95 49.250 -45.188 -73.693 1.00 51.02 H new ATOM 0 HD2 HIS A 95 50.194 -43.039 -71.233 1.00 1.31 H new ATOM 0 HE1 HIS A 95 46.714 -44.569 -69.350 1.00 73.40 H new ATOM 0 HE2 HIS A 95 48.413 -42.674 -69.364 1.00 22.14 H new ATOM 1421 N GLN A 96 50.732 -47.963 -74.596 1.00 30.54 N ATOM 1422 CA GLN A 96 50.888 -48.527 -75.931 1.00 40.24 C ATOM 1423 C GLN A 96 50.435 -49.983 -75.964 1.00 44.24 C ATOM 1424 O GLN A 96 49.915 -50.460 -76.974 1.00 41.50 O ATOM 1425 CB GLN A 96 52.345 -48.423 -76.385 1.00 3.04 C ATOM 1426 CG GLN A 96 52.618 -49.101 -77.718 1.00 14.22 C ATOM 1427 CD GLN A 96 53.447 -48.241 -78.651 1.00 51.10 C ATOM 1428 OE1 GLN A 96 54.414 -47.604 -78.232 1.00 71.11 O ATOM 1429 NE2 GLN A 96 53.072 -48.218 -79.925 1.00 3.12 N ATOM 0 H GLN A 96 51.607 -47.831 -74.089 1.00 30.54 H new ATOM 0 HA GLN A 96 50.260 -47.955 -76.615 1.00 40.24 H new ATOM 0 HB2 GLN A 96 52.619 -47.371 -76.459 1.00 3.04 H new ATOM 0 HB3 GLN A 96 52.986 -48.866 -75.623 1.00 3.04 H new ATOM 0 HG2 GLN A 96 53.136 -50.044 -77.542 1.00 14.22 H new ATOM 0 HG3 GLN A 96 51.670 -49.343 -78.199 1.00 14.22 H new ATOM 0 HE21 GLN A 96 52.264 -48.762 -80.229 1.00 3.12 H new ATOM 0 HE22 GLN A 96 53.592 -47.657 -80.600 1.00 3.12 H new ATOM 1438 N LEU A 97 50.637 -50.685 -74.855 1.00 31.01 N ATOM 1439 CA LEU A 97 50.250 -52.088 -74.757 1.00 34.15 C ATOM 1440 C LEU A 97 48.748 -52.254 -74.963 1.00 75.23 C ATOM 1441 O LEU A 97 48.310 -53.058 -75.787 1.00 33.45 O ATOM 1442 CB LEU A 97 50.654 -52.655 -73.395 1.00 3.15 C ATOM 1443 CG LEU A 97 52.135 -52.995 -73.222 1.00 41.40 C ATOM 1444 CD1 LEU A 97 52.483 -53.134 -71.748 1.00 74.11 C ATOM 1445 CD2 LEU A 97 52.481 -54.270 -73.976 1.00 61.14 C ATOM 0 H LEU A 97 51.066 -50.306 -74.011 1.00 31.01 H new ATOM 0 HA LEU A 97 50.769 -52.638 -75.542 1.00 34.15 H new ATOM 0 HB2 LEU A 97 50.375 -51.934 -72.627 1.00 3.15 H new ATOM 0 HB3 LEU A 97 50.071 -53.558 -73.212 1.00 3.15 H new ATOM 0 HG LEU A 97 52.726 -52.179 -73.638 1.00 41.40 H new ATOM 0 HD11 LEU A 97 53.541 -53.376 -71.645 1.00 74.11 H new ATOM 0 HD12 LEU A 97 52.274 -52.195 -71.235 1.00 74.11 H new ATOM 0 HD13 LEU A 97 51.884 -53.930 -71.306 1.00 74.11 H new ATOM 0 HD21 LEU A 97 53.539 -54.497 -73.842 1.00 61.14 H new ATOM 0 HD22 LEU A 97 51.881 -55.095 -73.591 1.00 61.14 H new ATOM 0 HD23 LEU A 97 52.271 -54.134 -75.037 1.00 61.14 H new ATOM 1457 N ILE A 98 47.964 -51.487 -74.213 1.00 31.44 N ATOM 1458 CA ILE A 98 46.511 -51.548 -74.316 1.00 43.44 C ATOM 1459 C ILE A 98 46.007 -50.697 -75.478 1.00 24.34 C ATOM 1460 O ILE A 98 44.955 -50.975 -76.053 1.00 52.10 O ATOM 1461 CB ILE A 98 45.834 -51.075 -73.017 1.00 11.54 C ATOM 1462 CG1 ILE A 98 46.253 -49.640 -72.690 1.00 44.32 C ATOM 1463 CG2 ILE A 98 46.183 -52.009 -71.867 1.00 54.54 C ATOM 1464 CD1 ILE A 98 45.657 -49.114 -71.403 1.00 44.12 C ATOM 0 H ILE A 98 48.310 -50.816 -73.527 1.00 31.44 H new ATOM 0 HA ILE A 98 46.250 -52.592 -74.492 1.00 43.44 H new ATOM 0 HB ILE A 98 44.754 -51.094 -73.161 1.00 11.54 H new ATOM 0 HG12 ILE A 98 47.340 -49.594 -72.623 1.00 44.32 H new ATOM 0 HG13 ILE A 98 45.957 -48.988 -73.511 1.00 44.32 H new ATOM 0 HG21 ILE A 98 45.697 -51.661 -70.955 1.00 54.54 H new ATOM 0 HG22 ILE A 98 45.839 -53.017 -72.100 1.00 54.54 H new ATOM 0 HG23 ILE A 98 47.263 -52.019 -71.721 1.00 54.54 H new ATOM 0 HD11 ILE A 98 45.997 -48.092 -71.235 1.00 44.12 H new ATOM 0 HD12 ILE A 98 44.569 -49.127 -71.474 1.00 44.12 H new ATOM 0 HD13 ILE A 98 45.974 -49.743 -70.571 1.00 44.12 H new ATOM 1476 N TYR A 99 46.766 -49.662 -75.818 1.00 3.30 N ATOM 1477 CA TYR A 99 46.397 -48.770 -76.911 1.00 12.23 C ATOM 1478 C TYR A 99 44.890 -48.533 -76.935 1.00 73.51 C ATOM 1479 O TYR A 99 44.266 -48.537 -77.996 1.00 4.32 O ATOM 1480 CB TYR A 99 46.855 -49.352 -78.249 1.00 53.20 C ATOM 1481 CG TYR A 99 46.378 -50.766 -78.489 1.00 73.42 C ATOM 1482 CD1 TYR A 99 47.133 -51.856 -78.072 1.00 14.51 C ATOM 1483 CD2 TYR A 99 45.171 -51.014 -79.133 1.00 2.44 C ATOM 1484 CE1 TYR A 99 46.701 -53.149 -78.290 1.00 31.50 C ATOM 1485 CE2 TYR A 99 44.731 -52.304 -79.354 1.00 31.33 C ATOM 1486 CZ TYR A 99 45.499 -53.369 -78.931 1.00 4.30 C ATOM 1487 OH TYR A 99 45.065 -54.656 -79.149 1.00 22.22 O ATOM 0 H TYR A 99 47.641 -49.420 -75.353 1.00 3.30 H new ATOM 0 HA TYR A 99 46.894 -47.814 -76.750 1.00 12.23 H new ATOM 0 HB2 TYR A 99 46.494 -48.714 -79.056 1.00 53.20 H new ATOM 0 HB3 TYR A 99 47.944 -49.333 -78.290 1.00 53.20 H new ATOM 0 HD1 TYR A 99 48.074 -51.689 -77.569 1.00 14.51 H new ATOM 0 HD2 TYR A 99 44.567 -50.183 -79.466 1.00 2.44 H new ATOM 0 HE1 TYR A 99 47.301 -53.984 -77.960 1.00 31.50 H new ATOM 0 HE2 TYR A 99 43.790 -52.478 -79.855 1.00 31.33 H new ATOM 0 HH TYR A 99 44.201 -54.636 -79.611 1.00 22.22 H new ATOM 1497 N GLY A 100 44.310 -48.328 -75.756 1.00 42.32 N ATOM 1498 CA GLY A 100 42.881 -48.092 -75.663 1.00 43.11 C ATOM 1499 C GLY A 100 42.519 -46.636 -75.880 1.00 34.13 C ATOM 1500 O GLY A 100 41.408 -46.323 -76.310 1.00 51.40 O ATOM 0 H GLY A 100 44.804 -48.321 -74.864 1.00 42.32 H new ATOM 0 HA2 GLY A 100 42.366 -48.705 -76.402 1.00 43.11 H new ATOM 0 HA3 GLY A 100 42.526 -48.409 -74.682 1.00 43.11 H new ATOM 1504 N LEU A 101 43.456 -45.744 -75.580 1.00 11.22 N ATOM 1505 CA LEU A 101 43.229 -44.312 -75.743 1.00 1.14 C ATOM 1506 C LEU A 101 42.720 -43.997 -77.146 1.00 23.33 C ATOM 1507 O LEU A 101 43.020 -44.714 -78.102 1.00 32.04 O ATOM 1508 CB LEU A 101 44.519 -43.537 -75.470 1.00 5.00 C ATOM 1509 CG LEU A 101 44.844 -43.269 -74.000 1.00 33.12 C ATOM 1510 CD1 LEU A 101 44.992 -44.578 -73.239 1.00 11.51 C ATOM 1511 CD2 LEU A 101 46.109 -42.432 -73.877 1.00 35.14 C ATOM 0 H LEU A 101 44.380 -45.987 -75.223 1.00 11.22 H new ATOM 0 HA LEU A 101 42.469 -44.006 -75.024 1.00 1.14 H new ATOM 0 HB2 LEU A 101 45.350 -44.088 -75.910 1.00 5.00 H new ATOM 0 HB3 LEU A 101 44.461 -42.580 -75.989 1.00 5.00 H new ATOM 0 HG LEU A 101 44.018 -42.709 -73.561 1.00 33.12 H new ATOM 0 HD11 LEU A 101 45.223 -44.368 -72.195 1.00 11.51 H new ATOM 0 HD12 LEU A 101 44.060 -45.141 -73.298 1.00 11.51 H new ATOM 0 HD13 LEU A 101 45.799 -45.165 -73.678 1.00 11.51 H new ATOM 0 HD21 LEU A 101 46.325 -42.251 -72.824 1.00 35.14 H new ATOM 0 HD22 LEU A 101 46.944 -42.965 -74.332 1.00 35.14 H new ATOM 0 HD23 LEU A 101 45.966 -41.479 -74.387 1.00 35.14 H new ATOM 1523 N LEU A 102 41.951 -42.920 -77.263 1.00 24.43 N ATOM 1524 CA LEU A 102 41.402 -42.509 -78.550 1.00 43.50 C ATOM 1525 C LEU A 102 40.440 -43.560 -79.093 1.00 14.21 C ATOM 1526 O LEU A 102 40.768 -44.294 -80.025 1.00 33.12 O ATOM 1527 CB LEU A 102 42.531 -42.267 -79.554 1.00 53.21 C ATOM 1528 CG LEU A 102 42.159 -41.464 -80.801 1.00 51.12 C ATOM 1529 CD1 LEU A 102 43.198 -40.386 -81.072 1.00 35.44 C ATOM 1530 CD2 LEU A 102 42.016 -42.384 -82.005 1.00 2.21 C ATOM 0 H LEU A 102 41.694 -42.316 -76.482 1.00 24.43 H new ATOM 0 HA LEU A 102 40.850 -41.581 -78.402 1.00 43.50 H new ATOM 0 HB2 LEU A 102 43.342 -41.749 -79.041 1.00 53.21 H new ATOM 0 HB3 LEU A 102 42.921 -43.234 -79.872 1.00 53.21 H new ATOM 0 HG LEU A 102 41.199 -40.978 -80.624 1.00 51.12 H new ATOM 0 HD11 LEU A 102 42.916 -39.825 -81.963 1.00 35.44 H new ATOM 0 HD12 LEU A 102 43.251 -39.709 -80.219 1.00 35.44 H new ATOM 0 HD13 LEU A 102 44.172 -40.850 -81.228 1.00 35.44 H new ATOM 0 HD21 LEU A 102 41.751 -41.795 -82.883 1.00 2.21 H new ATOM 0 HD22 LEU A 102 42.960 -42.898 -82.184 1.00 2.21 H new ATOM 0 HD23 LEU A 102 41.234 -43.118 -81.811 1.00 2.21 H new ATOM 1542 N SER A 103 39.249 -43.625 -78.505 1.00 3.32 N ATOM 1543 CA SER A 103 38.239 -44.587 -78.928 1.00 70.04 C ATOM 1544 C SER A 103 36.878 -43.914 -79.082 1.00 24.00 C ATOM 1545 O SER A 103 36.461 -43.578 -80.191 1.00 23.24 O ATOM 1546 CB SER A 103 38.142 -45.734 -77.920 1.00 44.15 C ATOM 1547 OG SER A 103 36.962 -46.492 -78.122 1.00 2.10 O ATOM 0 H SER A 103 38.961 -43.022 -77.734 1.00 3.32 H new ATOM 0 HA SER A 103 38.538 -44.988 -79.896 1.00 70.04 H new ATOM 0 HB2 SER A 103 39.014 -46.381 -78.015 1.00 44.15 H new ATOM 0 HB3 SER A 103 38.152 -45.333 -76.906 1.00 44.15 H new ATOM 0 HG SER A 103 37.120 -47.421 -77.854 1.00 2.10 H new ATOM 1553 N ASP A 104 36.191 -43.721 -77.962 1.00 4.44 N ATOM 1554 CA ASP A 104 34.878 -43.087 -77.970 1.00 0.13 C ATOM 1555 C ASP A 104 35.007 -41.571 -78.082 1.00 13.05 C ATOM 1556 O ASP A 104 34.075 -40.890 -78.508 1.00 11.33 O ATOM 1557 CB ASP A 104 34.103 -43.453 -76.703 1.00 25.42 C ATOM 1558 CG ASP A 104 32.604 -43.326 -76.884 1.00 73.30 C ATOM 1559 OD1 ASP A 104 32.164 -42.347 -77.523 1.00 33.32 O ATOM 1560 OD2 ASP A 104 31.870 -44.206 -76.388 1.00 31.41 O ATOM 0 H ASP A 104 36.522 -43.995 -77.037 1.00 4.44 H new ATOM 0 HA ASP A 104 34.331 -43.452 -78.839 1.00 0.13 H new ATOM 0 HB2 ASP A 104 34.346 -44.476 -76.415 1.00 25.42 H new ATOM 0 HB3 ASP A 104 34.423 -42.807 -75.885 1.00 25.42 H new ATOM 1565 N GLU A 105 36.167 -41.050 -77.695 1.00 22.52 N ATOM 1566 CA GLU A 105 36.416 -39.615 -77.750 1.00 40.32 C ATOM 1567 C GLU A 105 36.118 -39.064 -79.142 1.00 35.13 C ATOM 1568 O GLU A 105 35.373 -38.095 -79.292 1.00 31.24 O ATOM 1569 CB GLU A 105 37.867 -39.311 -77.370 1.00 13.01 C ATOM 1570 CG GLU A 105 38.443 -38.100 -78.085 1.00 35.13 C ATOM 1571 CD GLU A 105 39.217 -38.474 -79.334 1.00 0.33 C ATOM 1572 OE1 GLU A 105 39.885 -39.529 -79.325 1.00 55.12 O ATOM 1573 OE2 GLU A 105 39.155 -37.710 -80.320 1.00 50.00 O ATOM 0 H GLU A 105 36.949 -41.601 -77.340 1.00 22.52 H new ATOM 0 HA GLU A 105 35.751 -39.130 -77.035 1.00 40.32 H new ATOM 0 HB2 GLU A 105 37.925 -39.149 -76.294 1.00 13.01 H new ATOM 0 HB3 GLU A 105 38.483 -40.182 -77.595 1.00 13.01 H new ATOM 0 HG2 GLU A 105 37.633 -37.422 -78.353 1.00 35.13 H new ATOM 0 HG3 GLU A 105 39.099 -37.559 -77.404 1.00 35.13 H new ATOM 1580 N PHE A 106 36.704 -39.689 -80.157 1.00 45.12 N ATOM 1581 CA PHE A 106 36.503 -39.261 -81.537 1.00 24.52 C ATOM 1582 C PHE A 106 35.022 -39.286 -81.904 1.00 24.15 C ATOM 1583 O PHE A 106 34.579 -38.562 -82.795 1.00 64.25 O ATOM 1584 CB PHE A 106 37.292 -40.160 -82.492 1.00 32.44 C ATOM 1585 CG PHE A 106 36.773 -40.139 -83.901 1.00 41.40 C ATOM 1586 CD1 PHE A 106 37.209 -39.177 -84.799 1.00 31.42 C ATOM 1587 CD2 PHE A 106 35.850 -41.080 -84.328 1.00 43.43 C ATOM 1588 CE1 PHE A 106 36.732 -39.155 -86.096 1.00 5.20 C ATOM 1589 CE2 PHE A 106 35.371 -41.062 -85.625 1.00 34.35 C ATOM 1590 CZ PHE A 106 35.813 -40.099 -86.510 1.00 23.13 C ATOM 0 H PHE A 106 37.322 -40.494 -80.051 1.00 45.12 H new ATOM 0 HA PHE A 106 36.865 -38.237 -81.630 1.00 24.52 H new ATOM 0 HB2 PHE A 106 38.336 -39.847 -82.493 1.00 32.44 H new ATOM 0 HB3 PHE A 106 37.266 -41.184 -82.119 1.00 32.44 H new ATOM 0 HD1 PHE A 106 37.929 -38.437 -84.482 1.00 31.42 H new ATOM 0 HD2 PHE A 106 35.501 -41.836 -83.640 1.00 43.43 H new ATOM 0 HE1 PHE A 106 37.078 -38.399 -86.786 1.00 5.20 H new ATOM 0 HE2 PHE A 106 34.651 -41.801 -85.946 1.00 34.35 H new ATOM 0 HZ PHE A 106 35.441 -40.084 -87.524 1.00 23.13 H new ATOM 1600 N LYS A 107 34.261 -40.125 -81.209 1.00 41.11 N ATOM 1601 CA LYS A 107 32.830 -40.245 -81.459 1.00 73.41 C ATOM 1602 C LYS A 107 32.074 -39.053 -80.882 1.00 2.32 C ATOM 1603 O LYS A 107 30.906 -38.833 -81.200 1.00 32.34 O ATOM 1604 CB LYS A 107 32.293 -41.544 -80.854 1.00 31.35 C ATOM 1605 CG LYS A 107 30.929 -41.946 -81.387 1.00 71.25 C ATOM 1606 CD LYS A 107 30.884 -43.421 -81.750 1.00 25.21 C ATOM 1607 CE LYS A 107 30.823 -43.623 -83.256 1.00 71.42 C ATOM 1608 NZ LYS A 107 29.978 -44.793 -83.625 1.00 11.13 N ATOM 0 H LYS A 107 34.612 -40.732 -80.468 1.00 41.11 H new ATOM 0 HA LYS A 107 32.676 -40.262 -82.538 1.00 73.41 H new ATOM 0 HB2 LYS A 107 33.002 -42.348 -81.052 1.00 31.35 H new ATOM 0 HB3 LYS A 107 32.232 -41.433 -79.771 1.00 31.35 H new ATOM 0 HG2 LYS A 107 30.167 -41.732 -80.638 1.00 71.25 H new ATOM 0 HG3 LYS A 107 30.690 -41.347 -82.266 1.00 71.25 H new ATOM 0 HD2 LYS A 107 31.765 -43.922 -81.350 1.00 25.21 H new ATOM 0 HD3 LYS A 107 30.015 -43.885 -81.284 1.00 25.21 H new ATOM 0 HE2 LYS A 107 30.425 -42.724 -83.727 1.00 71.42 H new ATOM 0 HE3 LYS A 107 31.831 -43.766 -83.644 1.00 71.42 H new ATOM 0 HZ1 LYS A 107 29.962 -44.897 -84.660 1.00 11.13 H new ATOM 0 HZ2 LYS A 107 30.372 -45.655 -83.196 1.00 11.13 H new ATOM 0 HZ3 LYS A 107 29.009 -44.645 -83.277 1.00 11.13 H new ATOM 1622 N ALA A 108 32.750 -38.285 -80.033 1.00 53.53 N ATOM 1623 CA ALA A 108 32.143 -37.112 -79.415 1.00 30.30 C ATOM 1624 C ALA A 108 32.769 -35.826 -79.944 1.00 72.54 C ATOM 1625 O ALA A 108 32.065 -34.874 -80.278 1.00 45.13 O ATOM 1626 CB ALA A 108 32.280 -37.184 -77.901 1.00 54.23 C ATOM 0 H ALA A 108 33.718 -38.454 -79.758 1.00 53.53 H new ATOM 0 HA ALA A 108 31.084 -37.102 -79.674 1.00 30.30 H new ATOM 0 HB1 ALA A 108 31.823 -36.302 -77.452 1.00 54.23 H new ATOM 0 HB2 ALA A 108 31.780 -38.080 -77.533 1.00 54.23 H new ATOM 0 HB3 ALA A 108 33.336 -37.222 -77.633 1.00 54.23 H new ATOM 1632 N GLY A 109 34.096 -35.806 -80.018 1.00 23.22 N ATOM 1633 CA GLY A 109 34.794 -34.632 -80.507 1.00 4.42 C ATOM 1634 C GLY A 109 35.490 -33.867 -79.398 1.00 65.50 C ATOM 1635 O GLY A 109 35.829 -32.694 -79.560 1.00 35.12 O ATOM 0 H GLY A 109 34.700 -36.582 -79.748 1.00 23.22 H new ATOM 0 HA2 GLY A 109 35.529 -34.935 -81.252 1.00 4.42 H new ATOM 0 HA3 GLY A 109 34.084 -33.974 -81.008 1.00 4.42 H new ATOM 1639 N LEU A 110 35.704 -34.532 -78.268 1.00 3.02 N ATOM 1640 CA LEU A 110 36.364 -33.907 -77.126 1.00 75.41 C ATOM 1641 C LEU A 110 37.625 -34.673 -76.740 1.00 32.34 C ATOM 1642 O LEU A 110 37.617 -35.902 -76.658 1.00 62.01 O ATOM 1643 CB LEU A 110 35.408 -33.841 -75.934 1.00 33.44 C ATOM 1644 CG LEU A 110 33.993 -33.344 -76.234 1.00 4.42 C ATOM 1645 CD1 LEU A 110 34.039 -32.106 -77.116 1.00 3.30 C ATOM 1646 CD2 LEU A 110 33.171 -34.441 -76.893 1.00 54.44 C ATOM 0 H LEU A 110 35.431 -35.503 -78.118 1.00 3.02 H new ATOM 0 HA LEU A 110 36.650 -32.895 -77.411 1.00 75.41 H new ATOM 0 HB2 LEU A 110 35.336 -34.837 -75.496 1.00 33.44 H new ATOM 0 HB3 LEU A 110 35.847 -33.191 -75.177 1.00 33.44 H new ATOM 0 HG LEU A 110 33.515 -33.076 -75.292 1.00 4.42 H new ATOM 0 HD11 LEU A 110 33.023 -31.766 -77.319 1.00 3.30 H new ATOM 0 HD12 LEU A 110 34.591 -31.316 -76.606 1.00 3.30 H new ATOM 0 HD13 LEU A 110 34.536 -32.347 -78.056 1.00 3.30 H new ATOM 0 HD21 LEU A 110 32.167 -34.069 -77.099 1.00 54.44 H new ATOM 0 HD22 LEU A 110 33.646 -34.740 -77.827 1.00 54.44 H new ATOM 0 HD23 LEU A 110 33.110 -35.301 -76.226 1.00 54.44 H new ATOM 1658 N HIS A 111 38.707 -33.939 -76.500 1.00 72.15 N ATOM 1659 CA HIS A 111 39.976 -34.549 -76.119 1.00 73.24 C ATOM 1660 C HIS A 111 39.783 -35.530 -74.966 1.00 55.44 C ATOM 1661 O HIS A 111 38.716 -35.581 -74.355 1.00 74.54 O ATOM 1662 CB HIS A 111 40.986 -33.471 -75.724 1.00 35.41 C ATOM 1663 CG HIS A 111 42.119 -33.328 -76.693 1.00 14.12 C ATOM 1664 ND1 HIS A 111 43.201 -34.182 -76.717 1.00 1.24 N ATOM 1665 CD2 HIS A 111 42.333 -32.424 -77.677 1.00 11.41 C ATOM 1666 CE1 HIS A 111 44.033 -33.808 -77.672 1.00 40.23 C ATOM 1667 NE2 HIS A 111 43.529 -32.743 -78.270 1.00 61.55 N ATOM 0 H HIS A 111 38.730 -32.921 -76.563 1.00 72.15 H new ATOM 0 HA HIS A 111 40.360 -35.098 -76.979 1.00 73.24 H new ATOM 0 HB2 HIS A 111 40.470 -32.515 -75.638 1.00 35.41 H new ATOM 0 HB3 HIS A 111 41.389 -33.706 -74.739 1.00 35.41 H new ATOM 0 HD2 HIS A 111 41.684 -31.604 -77.946 1.00 11.41 H new ATOM 0 HE1 HIS A 111 44.966 -34.290 -77.922 1.00 40.23 H new ATOM 0 HE2 HIS A 111 43.959 -32.240 -79.046 1.00 61.55 H new ATOM 1675 N ALA A 112 40.822 -36.306 -74.675 1.00 55.54 N ATOM 1676 CA ALA A 112 40.766 -37.283 -73.596 1.00 2.04 C ATOM 1677 C ALA A 112 42.071 -37.303 -72.806 1.00 15.12 C ATOM 1678 O ALA A 112 43.103 -36.826 -73.280 1.00 14.13 O ATOM 1679 CB ALA A 112 40.462 -38.666 -74.151 1.00 61.51 C ATOM 0 H ALA A 112 41.712 -36.277 -75.172 1.00 55.54 H new ATOM 0 HA ALA A 112 39.964 -36.992 -72.917 1.00 2.04 H new ATOM 0 HB1 ALA A 112 40.423 -39.386 -73.333 1.00 61.51 H new ATOM 0 HB2 ALA A 112 39.501 -38.649 -74.665 1.00 61.51 H new ATOM 0 HB3 ALA A 112 41.244 -38.956 -74.853 1.00 61.51 H new ATOM 1685 N LEU A 113 42.018 -37.857 -71.599 1.00 53.45 N ATOM 1686 CA LEU A 113 43.196 -37.938 -70.743 1.00 33.02 C ATOM 1687 C LEU A 113 43.448 -39.376 -70.300 1.00 4.54 C ATOM 1688 O LEU A 113 42.516 -40.167 -70.164 1.00 53.24 O ATOM 1689 CB LEU A 113 43.023 -37.038 -69.518 1.00 44.43 C ATOM 1690 CG LEU A 113 41.625 -37.005 -68.901 1.00 11.22 C ATOM 1691 CD1 LEU A 113 41.706 -37.136 -67.388 1.00 1.01 C ATOM 1692 CD2 LEU A 113 40.901 -35.724 -69.289 1.00 15.02 C ATOM 0 H LEU A 113 41.172 -38.256 -71.192 1.00 53.45 H new ATOM 0 HA LEU A 113 44.057 -37.597 -71.318 1.00 33.02 H new ATOM 0 HB2 LEU A 113 43.729 -37.361 -68.752 1.00 44.43 H new ATOM 0 HB3 LEU A 113 43.299 -36.021 -69.797 1.00 44.43 H new ATOM 0 HG LEU A 113 41.058 -37.851 -69.289 1.00 11.22 H new ATOM 0 HD11 LEU A 113 40.701 -37.110 -66.966 1.00 1.01 H new ATOM 0 HD12 LEU A 113 42.184 -38.081 -67.130 1.00 1.01 H new ATOM 0 HD13 LEU A 113 42.291 -36.311 -66.982 1.00 1.01 H new ATOM 0 HD21 LEU A 113 39.907 -35.718 -68.841 1.00 15.02 H new ATOM 0 HD22 LEU A 113 41.466 -34.864 -68.930 1.00 15.02 H new ATOM 0 HD23 LEU A 113 40.810 -35.672 -70.374 1.00 15.02 H new ATOM 1704 N ALA A 114 44.716 -39.705 -70.073 1.00 73.42 N ATOM 1705 CA ALA A 114 45.091 -41.046 -69.641 1.00 34.00 C ATOM 1706 C ALA A 114 46.377 -41.019 -68.823 1.00 64.40 C ATOM 1707 O ALA A 114 47.294 -40.253 -69.116 1.00 64.04 O ATOM 1708 CB ALA A 114 45.247 -41.964 -70.844 1.00 72.12 C ATOM 0 H ALA A 114 45.500 -39.062 -70.181 1.00 73.42 H new ATOM 0 HA ALA A 114 44.295 -41.432 -69.005 1.00 34.00 H new ATOM 0 HB1 ALA A 114 45.527 -42.962 -70.506 1.00 72.12 H new ATOM 0 HB2 ALA A 114 44.303 -42.016 -71.387 1.00 72.12 H new ATOM 0 HB3 ALA A 114 46.023 -41.573 -71.502 1.00 72.12 H new ATOM 1714 N MET A 115 46.438 -41.860 -67.796 1.00 34.42 N ATOM 1715 CA MET A 115 47.613 -41.933 -66.936 1.00 1.22 C ATOM 1716 C MET A 115 47.889 -43.372 -66.512 1.00 15.15 C ATOM 1717 O MET A 115 47.048 -44.017 -65.884 1.00 22.14 O ATOM 1718 CB MET A 115 47.422 -41.052 -65.700 1.00 20.04 C ATOM 1719 CG MET A 115 46.627 -39.785 -65.973 1.00 24.31 C ATOM 1720 SD MET A 115 46.985 -38.472 -64.790 1.00 34.43 S ATOM 1721 CE MET A 115 45.696 -38.749 -63.577 1.00 74.23 C ATOM 0 H MET A 115 45.687 -42.501 -67.539 1.00 34.42 H new ATOM 0 HA MET A 115 48.470 -41.570 -67.503 1.00 1.22 H new ATOM 0 HB2 MET A 115 46.915 -41.630 -64.927 1.00 20.04 H new ATOM 0 HB3 MET A 115 48.400 -40.779 -65.304 1.00 20.04 H new ATOM 0 HG2 MET A 115 46.848 -39.432 -66.980 1.00 24.31 H new ATOM 0 HG3 MET A 115 45.562 -40.015 -65.943 1.00 24.31 H new ATOM 0 HE1 MET A 115 45.784 -38.013 -62.778 1.00 74.23 H new ATOM 0 HE2 MET A 115 44.721 -38.652 -64.054 1.00 74.23 H new ATOM 0 HE3 MET A 115 45.798 -39.751 -63.160 1.00 74.23 H new ATOM 1731 N THR A 116 49.071 -43.871 -66.859 1.00 0.34 N ATOM 1732 CA THR A 116 49.456 -45.234 -66.515 1.00 43.41 C ATOM 1733 C THR A 116 50.742 -45.252 -65.697 1.00 2.23 C ATOM 1734 O THR A 116 51.808 -44.877 -66.187 1.00 22.43 O ATOM 1735 CB THR A 116 49.651 -46.097 -67.776 1.00 2.02 C ATOM 1736 OG1 THR A 116 50.077 -47.413 -67.407 1.00 25.30 O ATOM 1737 CG2 THR A 116 50.676 -45.469 -68.708 1.00 61.24 C ATOM 0 H THR A 116 49.779 -43.351 -67.378 1.00 0.34 H new ATOM 0 HA THR A 116 48.644 -45.651 -65.919 1.00 43.41 H new ATOM 0 HB THR A 116 48.697 -46.158 -68.300 1.00 2.02 H new ATOM 0 HG1 THR A 116 51.042 -47.408 -67.234 1.00 25.30 H new ATOM 0 HG21 THR A 116 50.797 -46.096 -69.591 1.00 61.24 H new ATOM 0 HG22 THR A 116 50.335 -44.479 -69.010 1.00 61.24 H new ATOM 0 HG23 THR A 116 51.632 -45.381 -68.192 1.00 61.24 H new ATOM 1745 N THR A 117 50.636 -45.690 -64.446 1.00 63.41 N ATOM 1746 CA THR A 117 51.791 -45.757 -63.559 1.00 71.13 C ATOM 1747 C THR A 117 52.036 -47.184 -63.082 1.00 11.10 C ATOM 1748 O THR A 117 51.260 -47.729 -62.297 1.00 73.32 O ATOM 1749 CB THR A 117 51.611 -44.842 -62.334 1.00 4.54 C ATOM 1750 OG1 THR A 117 52.567 -45.183 -61.323 1.00 50.31 O ATOM 1751 CG2 THR A 117 50.204 -44.963 -61.769 1.00 51.42 C ATOM 0 H THR A 117 49.762 -46.004 -64.024 1.00 63.41 H new ATOM 0 HA THR A 117 52.652 -45.417 -64.134 1.00 71.13 H new ATOM 0 HB THR A 117 51.770 -43.812 -62.652 1.00 4.54 H new ATOM 0 HG1 THR A 117 52.447 -44.596 -60.548 1.00 50.31 H new ATOM 0 HG21 THR A 117 50.101 -44.307 -60.904 1.00 51.42 H new ATOM 0 HG22 THR A 117 49.480 -44.675 -62.531 1.00 51.42 H new ATOM 0 HG23 THR A 117 50.021 -45.994 -61.466 1.00 51.42 H new ATOM 1759 N LYS A 118 53.121 -47.785 -63.560 1.00 15.43 N ATOM 1760 CA LYS A 118 53.470 -49.148 -63.181 1.00 21.44 C ATOM 1761 C LYS A 118 54.944 -49.246 -62.799 1.00 72.43 C ATOM 1762 O LYS A 118 55.790 -48.553 -63.365 1.00 61.42 O ATOM 1763 CB LYS A 118 53.164 -50.113 -64.329 1.00 22.14 C ATOM 1764 CG LYS A 118 53.421 -51.570 -63.984 1.00 12.14 C ATOM 1765 CD LYS A 118 54.537 -52.156 -64.832 1.00 52.33 C ATOM 1766 CE LYS A 118 55.181 -53.355 -64.155 1.00 23.23 C ATOM 1767 NZ LYS A 118 56.312 -53.902 -64.954 1.00 65.20 N ATOM 0 H LYS A 118 53.774 -47.348 -64.211 1.00 15.43 H new ATOM 0 HA LYS A 118 52.869 -49.423 -62.314 1.00 21.44 H new ATOM 0 HB2 LYS A 118 52.121 -49.996 -64.622 1.00 22.14 H new ATOM 0 HB3 LYS A 118 53.770 -49.841 -65.193 1.00 22.14 H new ATOM 0 HG2 LYS A 118 53.682 -51.654 -62.929 1.00 12.14 H new ATOM 0 HG3 LYS A 118 52.508 -52.147 -64.134 1.00 12.14 H new ATOM 0 HD2 LYS A 118 54.140 -52.455 -65.802 1.00 52.33 H new ATOM 0 HD3 LYS A 118 55.293 -51.393 -65.018 1.00 52.33 H new ATOM 0 HE2 LYS A 118 55.541 -53.065 -63.168 1.00 23.23 H new ATOM 0 HE3 LYS A 118 54.432 -54.133 -64.005 1.00 23.23 H new ATOM 0 HZ1 LYS A 118 56.724 -54.718 -64.459 1.00 65.20 H new ATOM 0 HZ2 LYS A 118 55.964 -54.203 -65.887 1.00 65.20 H new ATOM 0 HZ3 LYS A 118 57.038 -53.168 -65.075 1.00 65.20 H new ATOM 1781 N THR A 119 55.245 -50.113 -61.837 1.00 2.41 N ATOM 1782 CA THR A 119 56.616 -50.301 -61.380 1.00 64.55 C ATOM 1783 C THR A 119 57.523 -50.735 -62.527 1.00 52.51 C ATOM 1784 O THR A 119 57.068 -51.240 -63.553 1.00 74.12 O ATOM 1785 CB THR A 119 56.694 -51.350 -60.255 1.00 65.31 C ATOM 1786 OG1 THR A 119 55.573 -52.237 -60.334 1.00 21.45 O ATOM 1787 CG2 THR A 119 56.722 -50.679 -58.890 1.00 51.24 C ATOM 0 H THR A 119 54.557 -50.696 -61.360 1.00 2.41 H new ATOM 0 HA THR A 119 56.956 -49.340 -60.995 1.00 64.55 H new ATOM 0 HB THR A 119 57.616 -51.918 -60.381 1.00 65.31 H new ATOM 0 HG1 THR A 119 55.631 -52.902 -59.616 1.00 21.45 H new ATOM 0 HG21 THR A 119 56.777 -51.440 -58.112 1.00 51.24 H new ATOM 0 HG22 THR A 119 57.593 -50.027 -58.823 1.00 51.24 H new ATOM 0 HG23 THR A 119 55.816 -50.088 -58.756 1.00 51.24 H new