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 180:sc= -0.698 USER MOD Set 1.2: A 83 SER OG : rot -165:sc= -0.628 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -112:sc= -0.577 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.341 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.643 K(o=-0.64,f=-2.5) USER MOD Single : A 55 SER OG : rot 180:sc= -0.141 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-3e-06) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3) USER MOD Single : A 82 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.158) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -3.14 X(o=-3.1,f=-2.7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 52:sc= 0.797 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=-0.088) USER MOD Single : A 115 MET CE :methyl 158:sc= -0.0783 (180deg=-0.452) USER MOD Single : A 116 THR OG1 : rot -90:sc= -0.948 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0802) USER MOD Single : A 119 THR OG1 : rot -161:sc= -1.9 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 36.193 -42.174 -73.628 1.00 73.32 N ATOM 472 CA ALA A 33 36.799 -40.924 -73.188 1.00 54.44 C ATOM 473 C ALA A 33 38.311 -40.950 -73.378 1.00 44.35 C ATOM 474 O ALA A 33 38.934 -42.010 -73.332 1.00 44.53 O ATOM 475 CB ALA A 33 36.452 -40.653 -71.732 1.00 3.12 C ATOM 0 HA ALA A 33 36.396 -40.118 -73.802 1.00 54.44 H new ATOM 0 HB1 ALA A 33 36.911 -39.716 -71.417 1.00 3.12 H new ATOM 0 HB2 ALA A 33 35.370 -40.581 -71.623 1.00 3.12 H new ATOM 0 HB3 ALA A 33 36.826 -41.467 -71.111 1.00 3.12 H new ATOM 481 N GLY A 34 38.897 -39.775 -73.593 1.00 72.33 N ATOM 482 CA GLY A 34 40.332 -39.687 -73.788 1.00 41.51 C ATOM 483 C GLY A 34 41.111 -40.366 -72.679 1.00 12.41 C ATOM 484 O GLY A 34 42.134 -41.001 -72.929 1.00 64.03 O ATOM 0 H GLY A 34 38.403 -38.884 -73.635 1.00 72.33 H new ATOM 0 HA2 GLY A 34 40.594 -40.142 -74.743 1.00 41.51 H new ATOM 0 HA3 GLY A 34 40.624 -38.638 -73.844 1.00 41.51 H new ATOM 488 N ALA A 35 40.626 -40.230 -71.449 1.00 1.20 N ATOM 489 CA ALA A 35 41.283 -40.836 -70.298 1.00 4.44 C ATOM 490 C ALA A 35 41.318 -42.355 -70.422 1.00 33.14 C ATOM 491 O ALA A 35 42.185 -43.014 -69.848 1.00 21.41 O ATOM 492 CB ALA A 35 40.581 -40.425 -69.012 1.00 52.31 C ATOM 0 H ALA A 35 39.780 -39.706 -71.224 1.00 1.20 H new ATOM 0 HA ALA A 35 42.312 -40.477 -70.268 1.00 4.44 H new ATOM 0 HB1 ALA A 35 41.083 -40.885 -68.161 1.00 52.31 H new ATOM 0 HB2 ALA A 35 40.614 -39.340 -68.910 1.00 52.31 H new ATOM 0 HB3 ALA A 35 39.543 -40.755 -69.043 1.00 52.31 H new ATOM 498 N ILE A 36 40.369 -42.904 -71.173 1.00 22.23 N ATOM 499 CA ILE A 36 40.292 -44.346 -71.371 1.00 60.24 C ATOM 500 C ILE A 36 41.638 -44.914 -71.810 1.00 11.55 C ATOM 501 O ILE A 36 41.961 -46.067 -71.524 1.00 2.45 O ATOM 502 CB ILE A 36 39.227 -44.714 -72.421 1.00 54.41 C ATOM 503 CG1 ILE A 36 38.669 -46.112 -72.146 1.00 45.14 C ATOM 504 CG2 ILE A 36 39.815 -44.638 -73.822 1.00 50.30 C ATOM 505 CD1 ILE A 36 37.164 -46.196 -72.264 1.00 32.30 C ATOM 0 H ILE A 36 39.643 -42.372 -71.654 1.00 22.23 H new ATOM 0 HA ILE A 36 40.012 -44.781 -70.412 1.00 60.24 H new ATOM 0 HB ILE A 36 38.409 -43.997 -72.353 1.00 54.41 H new ATOM 0 HG12 ILE A 36 39.120 -46.818 -72.843 1.00 45.14 H new ATOM 0 HG13 ILE A 36 38.965 -46.422 -71.144 1.00 45.14 H new ATOM 0 HG21 ILE A 36 39.050 -44.901 -74.552 1.00 50.30 H new ATOM 0 HG22 ILE A 36 40.167 -43.625 -74.014 1.00 50.30 H new ATOM 0 HG23 ILE A 36 40.650 -45.334 -73.904 1.00 50.30 H new ATOM 0 HD11 ILE A 36 36.839 -47.215 -72.056 1.00 32.30 H new ATOM 0 HD12 ILE A 36 36.704 -45.515 -71.547 1.00 32.30 H new ATOM 0 HD13 ILE A 36 36.862 -45.918 -73.274 1.00 32.30 H new ATOM 517 N LYS A 37 42.421 -44.095 -72.504 1.00 71.12 N ATOM 518 CA LYS A 37 43.734 -44.513 -72.980 1.00 43.41 C ATOM 519 C LYS A 37 44.650 -44.865 -71.812 1.00 13.32 C ATOM 520 O LYS A 37 45.369 -45.863 -71.854 1.00 1.34 O ATOM 521 CB LYS A 37 44.370 -43.405 -73.824 1.00 13.03 C ATOM 522 CG LYS A 37 44.618 -43.807 -75.267 1.00 44.32 C ATOM 523 CD LYS A 37 46.012 -44.384 -75.453 1.00 74.02 C ATOM 524 CE LYS A 37 45.979 -45.902 -75.537 1.00 21.45 C ATOM 525 NZ LYS A 37 47.321 -46.470 -75.842 1.00 45.13 N ATOM 0 H LYS A 37 42.169 -43.138 -72.749 1.00 71.12 H new ATOM 0 HA LYS A 37 43.603 -45.402 -73.597 1.00 43.41 H new ATOM 0 HB2 LYS A 37 43.722 -42.529 -73.806 1.00 13.03 H new ATOM 0 HB3 LYS A 37 45.316 -43.111 -73.370 1.00 13.03 H new ATOM 0 HG2 LYS A 37 43.875 -44.543 -75.574 1.00 44.32 H new ATOM 0 HG3 LYS A 37 44.493 -42.939 -75.914 1.00 44.32 H new ATOM 0 HD2 LYS A 37 46.457 -43.978 -76.361 1.00 74.02 H new ATOM 0 HD3 LYS A 37 46.648 -44.078 -74.622 1.00 74.02 H new ATOM 0 HE2 LYS A 37 45.618 -46.310 -74.593 1.00 21.45 H new ATOM 0 HE3 LYS A 37 45.272 -46.208 -76.308 1.00 21.45 H new ATOM 0 HZ1 LYS A 37 47.256 -47.507 -75.891 1.00 45.13 H new ATOM 0 HZ2 LYS A 37 47.655 -46.101 -76.755 1.00 45.13 H new ATOM 0 HZ3 LYS A 37 47.991 -46.200 -75.093 1.00 45.13 H new ATOM 539 N SER A 38 44.616 -44.040 -70.770 1.00 42.21 N ATOM 540 CA SER A 38 45.445 -44.263 -69.591 1.00 73.31 C ATOM 541 C SER A 38 45.024 -45.537 -68.865 1.00 35.12 C ATOM 542 O SER A 38 45.863 -46.332 -68.443 1.00 65.51 O ATOM 543 CB SER A 38 45.352 -43.067 -68.642 1.00 54.01 C ATOM 544 OG SER A 38 45.850 -41.890 -69.254 1.00 64.33 O ATOM 0 H SER A 38 44.023 -43.211 -70.718 1.00 42.21 H new ATOM 0 HA SER A 38 46.478 -44.377 -69.920 1.00 73.31 H new ATOM 0 HB2 SER A 38 44.314 -42.915 -68.344 1.00 54.01 H new ATOM 0 HB3 SER A 38 45.917 -43.275 -67.733 1.00 54.01 H new ATOM 0 HG SER A 38 46.678 -41.614 -68.808 1.00 64.33 H new ATOM 550 N LYS A 39 43.716 -45.724 -68.722 1.00 32.30 N ATOM 551 CA LYS A 39 43.180 -46.901 -68.048 1.00 71.01 C ATOM 552 C LYS A 39 43.553 -48.175 -68.799 1.00 71.22 C ATOM 553 O LYS A 39 43.779 -49.222 -68.192 1.00 71.01 O ATOM 554 CB LYS A 39 41.658 -46.795 -67.926 1.00 21.31 C ATOM 555 CG LYS A 39 40.906 -47.704 -68.884 1.00 5.53 C ATOM 556 CD LYS A 39 39.405 -47.483 -68.799 1.00 24.10 C ATOM 557 CE LYS A 39 38.645 -48.503 -69.633 1.00 15.43 C ATOM 558 NZ LYS A 39 37.170 -48.332 -69.508 1.00 45.33 N ATOM 0 H LYS A 39 43.007 -45.075 -69.064 1.00 32.30 H new ATOM 0 HA LYS A 39 43.616 -46.948 -67.050 1.00 71.01 H new ATOM 0 HB2 LYS A 39 41.366 -47.037 -66.904 1.00 21.31 H new ATOM 0 HB3 LYS A 39 41.358 -45.763 -68.107 1.00 21.31 H new ATOM 0 HG2 LYS A 39 41.245 -47.520 -69.904 1.00 5.53 H new ATOM 0 HG3 LYS A 39 41.135 -48.745 -68.655 1.00 5.53 H new ATOM 0 HD2 LYS A 39 39.084 -47.550 -67.759 1.00 24.10 H new ATOM 0 HD3 LYS A 39 39.164 -46.477 -69.143 1.00 24.10 H new ATOM 0 HE2 LYS A 39 38.935 -48.405 -70.679 1.00 15.43 H new ATOM 0 HE3 LYS A 39 38.922 -49.509 -69.318 1.00 15.43 H new ATOM 0 HZ1 LYS A 39 36.687 -49.045 -70.091 1.00 45.33 H new ATOM 0 HZ2 LYS A 39 36.890 -48.450 -68.513 1.00 45.33 H new ATOM 0 HZ3 LYS A 39 36.902 -47.381 -69.832 1.00 45.33 H new ATOM 572 N VAL A 40 43.617 -48.079 -70.123 1.00 51.15 N ATOM 573 CA VAL A 40 43.965 -49.223 -70.957 1.00 63.22 C ATOM 574 C VAL A 40 45.374 -49.719 -70.649 1.00 74.12 C ATOM 575 O VAL A 40 45.615 -50.923 -70.574 1.00 61.30 O ATOM 576 CB VAL A 40 43.871 -48.876 -72.455 1.00 3.22 C ATOM 577 CG1 VAL A 40 44.460 -49.995 -73.301 1.00 13.33 C ATOM 578 CG2 VAL A 40 42.428 -48.602 -72.848 1.00 54.31 C ATOM 0 H VAL A 40 43.432 -47.220 -70.641 1.00 51.15 H new ATOM 0 HA VAL A 40 43.247 -50.011 -70.729 1.00 63.22 H new ATOM 0 HB VAL A 40 44.451 -47.972 -72.638 1.00 3.22 H new ATOM 0 HG11 VAL A 40 44.385 -49.732 -74.356 1.00 13.33 H new ATOM 0 HG12 VAL A 40 45.508 -50.138 -73.037 1.00 13.33 H new ATOM 0 HG13 VAL A 40 43.910 -50.918 -73.117 1.00 13.33 H new ATOM 0 HG21 VAL A 40 42.380 -48.359 -73.909 1.00 54.31 H new ATOM 0 HG22 VAL A 40 41.823 -49.487 -72.651 1.00 54.31 H new ATOM 0 HG23 VAL A 40 42.045 -47.764 -72.266 1.00 54.31 H new ATOM 588 N GLU A 41 46.300 -48.782 -70.471 1.00 55.13 N ATOM 589 CA GLU A 41 47.685 -49.125 -70.172 1.00 12.35 C ATOM 590 C GLU A 41 47.776 -49.948 -68.890 1.00 63.10 C ATOM 591 O GLU A 41 48.702 -50.739 -68.713 1.00 4.14 O ATOM 592 CB GLU A 41 48.530 -47.856 -70.037 1.00 72.21 C ATOM 593 CG GLU A 41 48.702 -47.389 -68.602 1.00 12.34 C ATOM 594 CD GLU A 41 49.101 -45.929 -68.507 1.00 51.24 C ATOM 595 OE1 GLU A 41 48.197 -45.067 -68.490 1.00 32.31 O ATOM 596 OE2 GLU A 41 50.316 -45.648 -68.451 1.00 42.25 O ATOM 0 H GLU A 41 46.116 -47.780 -70.529 1.00 55.13 H new ATOM 0 HA GLU A 41 48.071 -49.724 -70.997 1.00 12.35 H new ATOM 0 HB2 GLU A 41 49.513 -48.036 -70.472 1.00 72.21 H new ATOM 0 HB3 GLU A 41 48.067 -47.058 -70.617 1.00 72.21 H new ATOM 0 HG2 GLU A 41 47.769 -47.543 -68.060 1.00 12.34 H new ATOM 0 HG3 GLU A 41 49.460 -48.001 -68.113 1.00 12.34 H new ATOM 603 N ALA A 42 46.809 -49.755 -68.000 1.00 32.55 N ATOM 604 CA ALA A 42 46.779 -50.480 -66.735 1.00 74.43 C ATOM 605 C ALA A 42 46.019 -51.795 -66.874 1.00 71.35 C ATOM 606 O ALA A 42 46.187 -52.708 -66.067 1.00 32.42 O ATOM 607 CB ALA A 42 46.153 -49.620 -65.648 1.00 53.51 C ATOM 0 H ALA A 42 46.036 -49.103 -68.131 1.00 32.55 H new ATOM 0 HA ALA A 42 47.806 -50.711 -66.453 1.00 74.43 H new ATOM 0 HB1 ALA A 42 46.137 -50.174 -64.710 1.00 53.51 H new ATOM 0 HB2 ALA A 42 46.739 -48.709 -65.522 1.00 53.51 H new ATOM 0 HB3 ALA A 42 45.134 -49.359 -65.932 1.00 53.51 H new ATOM 613 N ALA A 43 45.183 -51.884 -67.904 1.00 34.15 N ATOM 614 CA ALA A 43 44.398 -53.088 -68.149 1.00 2.13 C ATOM 615 C ALA A 43 45.302 -54.297 -68.365 1.00 74.15 C ATOM 616 O ALA A 43 44.928 -55.428 -68.053 1.00 74.40 O ATOM 617 CB ALA A 43 43.485 -52.887 -69.349 1.00 34.22 C ATOM 0 H ALA A 43 45.032 -51.137 -68.582 1.00 34.15 H new ATOM 0 HA ALA A 43 43.785 -53.279 -67.268 1.00 2.13 H new ATOM 0 HB1 ALA A 43 42.905 -53.794 -69.521 1.00 34.22 H new ATOM 0 HB2 ALA A 43 42.809 -52.054 -69.156 1.00 34.22 H new ATOM 0 HB3 ALA A 43 44.087 -52.669 -70.231 1.00 34.22 H new ATOM 623 N LEU A 44 46.491 -54.052 -68.903 1.00 5.23 N ATOM 624 CA LEU A 44 47.449 -55.121 -69.162 1.00 70.52 C ATOM 625 C LEU A 44 47.755 -55.900 -67.887 1.00 13.14 C ATOM 626 O LEU A 44 48.146 -57.066 -67.938 1.00 11.12 O ATOM 627 CB LEU A 44 48.741 -54.546 -69.744 1.00 43.11 C ATOM 628 CG LEU A 44 48.590 -53.707 -71.013 1.00 45.15 C ATOM 629 CD1 LEU A 44 49.879 -52.956 -71.313 1.00 74.02 C ATOM 630 CD2 LEU A 44 48.198 -54.587 -72.191 1.00 73.10 C ATOM 0 H LEU A 44 46.815 -53.122 -69.169 1.00 5.23 H new ATOM 0 HA LEU A 44 47.005 -55.805 -69.885 1.00 70.52 H new ATOM 0 HB2 LEU A 44 49.218 -53.931 -68.981 1.00 43.11 H new ATOM 0 HB3 LEU A 44 49.419 -55.372 -69.957 1.00 43.11 H new ATOM 0 HG LEU A 44 47.797 -52.977 -70.850 1.00 45.15 H new ATOM 0 HD11 LEU A 44 49.753 -52.364 -72.220 1.00 74.02 H new ATOM 0 HD12 LEU A 44 50.118 -52.296 -70.479 1.00 74.02 H new ATOM 0 HD13 LEU A 44 50.691 -53.669 -71.455 1.00 74.02 H new ATOM 0 HD21 LEU A 44 48.095 -53.973 -73.086 1.00 73.10 H new ATOM 0 HD22 LEU A 44 48.969 -55.340 -72.355 1.00 73.10 H new ATOM 0 HD23 LEU A 44 47.249 -55.079 -71.978 1.00 73.10 H new ATOM 642 N SER A 45 47.572 -55.248 -66.743 1.00 55.41 N ATOM 643 CA SER A 45 47.829 -55.878 -65.454 1.00 2.03 C ATOM 644 C SER A 45 46.536 -56.404 -64.838 1.00 1.52 C ATOM 645 O SER A 45 45.432 -56.040 -65.244 1.00 3.52 O ATOM 646 CB SER A 45 48.494 -54.884 -64.500 1.00 4.31 C ATOM 647 OG SER A 45 49.832 -55.260 -64.222 1.00 61.24 O ATOM 0 H SER A 45 47.247 -54.283 -66.683 1.00 55.41 H new ATOM 0 HA SER A 45 48.502 -56.720 -65.617 1.00 2.03 H new ATOM 0 HB2 SER A 45 48.477 -53.887 -64.939 1.00 4.31 H new ATOM 0 HB3 SER A 45 47.927 -54.832 -63.571 1.00 4.31 H new ATOM 0 HG SER A 45 50.235 -54.608 -63.612 1.00 61.24 H new ATOM 653 N PRO A 46 46.674 -57.281 -63.833 1.00 23.21 N ATOM 654 CA PRO A 46 45.529 -57.876 -63.138 1.00 73.13 C ATOM 655 C PRO A 46 44.781 -56.862 -62.280 1.00 12.22 C ATOM 656 O PRO A 46 44.925 -56.841 -61.057 1.00 34.11 O ATOM 657 CB PRO A 46 46.168 -58.953 -62.259 1.00 33.45 C ATOM 658 CG PRO A 46 47.565 -58.485 -62.040 1.00 52.41 C ATOM 659 CD PRO A 46 47.960 -57.760 -63.297 1.00 53.11 C ATOM 0 HA PRO A 46 44.785 -58.262 -63.835 1.00 73.13 H new ATOM 0 HB2 PRO A 46 45.634 -59.061 -61.315 1.00 33.45 H new ATOM 0 HB3 PRO A 46 46.149 -59.926 -62.749 1.00 33.45 H new ATOM 0 HG2 PRO A 46 47.625 -57.826 -61.174 1.00 52.41 H new ATOM 0 HG3 PRO A 46 48.232 -59.325 -61.848 1.00 52.41 H new ATOM 0 HD2 PRO A 46 48.641 -56.935 -63.088 1.00 53.11 H new ATOM 0 HD3 PRO A 46 48.467 -58.421 -64.000 1.00 53.11 H new ATOM 667 N THR A 47 43.980 -56.021 -62.928 1.00 4.34 N ATOM 668 CA THR A 47 43.210 -55.003 -62.224 1.00 23.25 C ATOM 669 C THR A 47 41.984 -54.587 -63.028 1.00 62.01 C ATOM 670 O THR A 47 41.769 -55.064 -64.143 1.00 23.32 O ATOM 671 CB THR A 47 44.065 -53.756 -61.929 1.00 15.22 C ATOM 672 OG1 THR A 47 43.331 -52.844 -61.103 1.00 44.24 O ATOM 673 CG2 THR A 47 44.474 -53.063 -63.220 1.00 12.23 C ATOM 0 H THR A 47 43.848 -56.025 -63.939 1.00 4.34 H new ATOM 0 HA THR A 47 42.889 -55.445 -61.281 1.00 23.25 H new ATOM 0 HB THR A 47 44.966 -54.075 -61.406 1.00 15.22 H new ATOM 0 HG1 THR A 47 43.881 -52.054 -60.918 1.00 44.24 H new ATOM 0 HG21 THR A 47 45.077 -52.185 -62.987 1.00 12.23 H new ATOM 0 HG22 THR A 47 45.056 -53.751 -63.833 1.00 12.23 H new ATOM 0 HG23 THR A 47 43.582 -52.756 -63.766 1.00 12.23 H new ATOM 681 N HIS A 48 41.183 -53.694 -62.457 1.00 15.31 N ATOM 682 CA HIS A 48 39.977 -53.212 -63.123 1.00 4.14 C ATOM 683 C HIS A 48 39.891 -51.690 -63.055 1.00 33.23 C ATOM 684 O HIS A 48 39.944 -51.103 -61.974 1.00 3.30 O ATOM 685 CB HIS A 48 38.734 -53.834 -62.486 1.00 63.10 C ATOM 686 CG HIS A 48 37.450 -53.240 -62.976 1.00 34.12 C ATOM 687 ND1 HIS A 48 37.123 -53.151 -64.312 1.00 40.15 N ATOM 688 CD2 HIS A 48 36.407 -52.705 -62.299 1.00 33.23 C ATOM 689 CE1 HIS A 48 35.936 -52.585 -64.437 1.00 33.24 C ATOM 690 NE2 HIS A 48 35.479 -52.306 -63.229 1.00 42.51 N ATOM 0 H HIS A 48 41.346 -53.289 -61.535 1.00 15.31 H new ATOM 0 HA HIS A 48 40.026 -53.509 -64.171 1.00 4.14 H new ATOM 0 HB2 HIS A 48 38.730 -54.905 -62.688 1.00 63.10 H new ATOM 0 HB3 HIS A 48 38.791 -53.714 -61.404 1.00 63.10 H new ATOM 0 HD2 HIS A 48 36.321 -52.610 -61.227 1.00 33.23 H new ATOM 0 HE1 HIS A 48 35.426 -52.385 -65.368 1.00 33.24 H new ATOM 0 HE2 HIS A 48 34.583 -51.866 -63.021 1.00 42.51 H new ATOM 698 N PHE A 49 39.757 -51.058 -64.216 1.00 4.43 N ATOM 699 CA PHE A 49 39.665 -49.604 -64.288 1.00 62.01 C ATOM 700 C PHE A 49 38.318 -49.172 -64.860 1.00 31.32 C ATOM 701 O PHE A 49 37.962 -49.533 -65.982 1.00 32.23 O ATOM 702 CB PHE A 49 40.800 -49.042 -65.147 1.00 10.01 C ATOM 703 CG PHE A 49 42.092 -48.875 -64.399 1.00 14.02 C ATOM 704 CD1 PHE A 49 42.646 -49.936 -63.701 1.00 71.25 C ATOM 705 CD2 PHE A 49 42.751 -47.656 -64.393 1.00 23.54 C ATOM 706 CE1 PHE A 49 43.835 -49.786 -63.012 1.00 54.03 C ATOM 707 CE2 PHE A 49 43.940 -47.500 -63.706 1.00 24.53 C ATOM 708 CZ PHE A 49 44.482 -48.566 -63.014 1.00 21.13 C ATOM 0 H PHE A 49 39.710 -51.529 -65.119 1.00 4.43 H new ATOM 0 HA PHE A 49 39.754 -49.209 -63.276 1.00 62.01 H new ATOM 0 HB2 PHE A 49 40.964 -49.705 -65.997 1.00 10.01 H new ATOM 0 HB3 PHE A 49 40.496 -48.076 -65.550 1.00 10.01 H new ATOM 0 HD1 PHE A 49 42.143 -50.892 -63.695 1.00 71.25 H new ATOM 0 HD2 PHE A 49 42.331 -46.819 -64.931 1.00 23.54 H new ATOM 0 HE1 PHE A 49 44.257 -50.621 -62.473 1.00 54.03 H new ATOM 0 HE2 PHE A 49 44.445 -46.545 -63.710 1.00 24.53 H new ATOM 0 HZ PHE A 49 45.410 -48.445 -62.475 1.00 21.13 H new ATOM 718 N LYS A 50 37.572 -48.398 -64.080 1.00 11.44 N ATOM 719 CA LYS A 50 36.264 -47.915 -64.506 1.00 12.21 C ATOM 720 C LYS A 50 36.292 -46.409 -64.747 1.00 13.23 C ATOM 721 O LYS A 50 36.479 -45.624 -63.816 1.00 31.33 O ATOM 722 CB LYS A 50 35.205 -48.254 -63.455 1.00 35.41 C ATOM 723 CG LYS A 50 33.830 -47.692 -63.773 1.00 71.20 C ATOM 724 CD LYS A 50 33.138 -47.172 -62.525 1.00 15.05 C ATOM 725 CE LYS A 50 31.641 -47.008 -62.744 1.00 44.32 C ATOM 726 NZ LYS A 50 30.934 -46.636 -61.488 1.00 11.31 N ATOM 0 H LYS A 50 37.851 -48.091 -63.148 1.00 11.44 H new ATOM 0 HA LYS A 50 36.009 -48.411 -65.443 1.00 12.21 H new ATOM 0 HB2 LYS A 50 35.132 -49.338 -63.361 1.00 35.41 H new ATOM 0 HB3 LYS A 50 35.530 -47.871 -62.488 1.00 35.41 H new ATOM 0 HG2 LYS A 50 33.925 -46.886 -64.500 1.00 71.20 H new ATOM 0 HG3 LYS A 50 33.217 -48.467 -64.234 1.00 71.20 H new ATOM 0 HD2 LYS A 50 33.312 -47.860 -61.698 1.00 15.05 H new ATOM 0 HD3 LYS A 50 33.572 -46.214 -62.240 1.00 15.05 H new ATOM 0 HE2 LYS A 50 31.466 -46.242 -63.499 1.00 44.32 H new ATOM 0 HE3 LYS A 50 31.227 -47.939 -63.132 1.00 44.32 H new ATOM 0 HZ1 LYS A 50 29.917 -46.534 -61.679 1.00 11.31 H new ATOM 0 HZ2 LYS A 50 31.079 -47.379 -60.775 1.00 11.31 H new ATOM 0 HZ3 LYS A 50 31.311 -45.735 -61.131 1.00 11.31 H new ATOM 740 N LEU A 51 36.103 -46.011 -66.000 1.00 61.21 N ATOM 741 CA LEU A 51 36.105 -44.598 -66.363 1.00 71.31 C ATOM 742 C LEU A 51 34.849 -44.236 -67.149 1.00 34.24 C ATOM 743 O LEU A 51 34.594 -44.788 -68.219 1.00 74.43 O ATOM 744 CB LEU A 51 37.350 -44.265 -67.188 1.00 15.14 C ATOM 745 CG LEU A 51 37.531 -42.794 -67.563 1.00 45.05 C ATOM 746 CD1 LEU A 51 38.878 -42.281 -67.078 1.00 24.53 C ATOM 747 CD2 LEU A 51 37.399 -42.608 -69.068 1.00 11.30 C ATOM 0 H LEU A 51 35.946 -46.647 -66.782 1.00 61.21 H new ATOM 0 HA LEU A 51 36.118 -44.012 -65.444 1.00 71.31 H new ATOM 0 HB2 LEU A 51 38.229 -44.588 -66.630 1.00 15.14 H new ATOM 0 HB3 LEU A 51 37.322 -44.853 -68.106 1.00 15.14 H new ATOM 0 HG LEU A 51 36.747 -42.215 -67.074 1.00 45.05 H new ATOM 0 HD11 LEU A 51 38.989 -41.232 -67.354 1.00 24.53 H new ATOM 0 HD12 LEU A 51 38.936 -42.379 -65.994 1.00 24.53 H new ATOM 0 HD13 LEU A 51 39.676 -42.864 -67.538 1.00 24.53 H new ATOM 0 HD21 LEU A 51 37.531 -41.555 -69.317 1.00 11.30 H new ATOM 0 HD22 LEU A 51 38.161 -43.199 -69.576 1.00 11.30 H new ATOM 0 HD23 LEU A 51 36.411 -42.936 -69.390 1.00 11.30 H new ATOM 759 N ILE A 52 34.069 -43.304 -66.611 1.00 31.42 N ATOM 760 CA ILE A 52 32.841 -42.866 -67.263 1.00 63.44 C ATOM 761 C ILE A 52 32.808 -41.349 -67.411 1.00 22.04 C ATOM 762 O ILE A 52 32.760 -40.620 -66.421 1.00 24.23 O ATOM 763 CB ILE A 52 31.595 -43.322 -66.482 1.00 72.51 C ATOM 764 CG1 ILE A 52 31.719 -42.933 -65.008 1.00 3.42 C ATOM 765 CG2 ILE A 52 31.401 -44.825 -66.624 1.00 3.22 C ATOM 766 CD1 ILE A 52 30.520 -42.178 -64.479 1.00 54.01 C ATOM 0 H ILE A 52 34.266 -42.838 -65.725 1.00 31.42 H new ATOM 0 HA ILE A 52 32.828 -43.325 -68.251 1.00 63.44 H new ATOM 0 HB ILE A 52 30.721 -42.821 -66.898 1.00 72.51 H new ATOM 0 HG12 ILE A 52 31.861 -43.835 -64.413 1.00 3.42 H new ATOM 0 HG13 ILE A 52 32.611 -42.320 -64.876 1.00 3.42 H new ATOM 0 HG21 ILE A 52 30.516 -45.132 -66.066 1.00 3.22 H new ATOM 0 HG22 ILE A 52 31.272 -45.077 -67.677 1.00 3.22 H new ATOM 0 HG23 ILE A 52 32.276 -45.343 -66.231 1.00 3.22 H new ATOM 0 HD11 ILE A 52 30.678 -41.935 -63.428 1.00 54.01 H new ATOM 0 HD12 ILE A 52 30.389 -41.258 -65.049 1.00 54.01 H new ATOM 0 HD13 ILE A 52 29.628 -42.796 -64.578 1.00 54.01 H new ATOM 778 N ASN A 53 32.832 -40.880 -68.654 1.00 1.10 N ATOM 779 CA ASN A 53 32.803 -39.448 -68.931 1.00 64.55 C ATOM 780 C ASN A 53 31.479 -39.045 -69.572 1.00 51.12 C ATOM 781 O ASN A 53 31.070 -39.611 -70.586 1.00 31.42 O ATOM 782 CB ASN A 53 33.965 -39.062 -69.849 1.00 63.41 C ATOM 783 CG ASN A 53 33.728 -37.743 -70.558 1.00 4.32 C ATOM 784 OD1 ASN A 53 33.631 -37.693 -71.784 1.00 12.40 O ATOM 785 ND2 ASN A 53 33.635 -36.666 -69.787 1.00 2.34 N ATOM 0 H ASN A 53 32.871 -41.470 -69.485 1.00 1.10 H new ATOM 0 HA ASN A 53 32.904 -38.918 -67.984 1.00 64.55 H new ATOM 0 HB2 ASN A 53 34.881 -38.997 -69.263 1.00 63.41 H new ATOM 0 HB3 ASN A 53 34.116 -39.847 -70.590 1.00 63.41 H new ATOM 0 HD21 ASN A 53 33.477 -35.750 -70.207 1.00 2.34 H new ATOM 0 HD22 ASN A 53 33.722 -36.755 -68.775 1.00 2.34 H new ATOM 792 N ASP A 54 30.814 -38.063 -68.974 1.00 40.43 N ATOM 793 CA ASP A 54 29.536 -37.581 -69.487 1.00 24.41 C ATOM 794 C ASP A 54 29.703 -36.235 -70.184 1.00 10.54 C ATOM 795 O ASP A 54 29.504 -36.121 -71.393 1.00 61.31 O ATOM 796 CB ASP A 54 28.520 -37.460 -68.351 1.00 11.54 C ATOM 797 CG ASP A 54 27.480 -38.562 -68.384 1.00 14.22 C ATOM 798 OD1 ASP A 54 27.854 -39.723 -68.650 1.00 73.41 O ATOM 799 OD2 ASP A 54 26.292 -38.263 -68.142 1.00 75.25 O ATOM 0 H ASP A 54 31.138 -37.585 -68.133 1.00 40.43 H new ATOM 0 HA ASP A 54 29.169 -38.303 -70.216 1.00 24.41 H new ATOM 0 HB2 ASP A 54 29.043 -37.487 -67.395 1.00 11.54 H new ATOM 0 HB3 ASP A 54 28.022 -36.493 -68.415 1.00 11.54 H new ATOM 804 N SER A 55 30.068 -35.216 -69.412 1.00 1.22 N ATOM 805 CA SER A 55 30.257 -33.875 -69.954 1.00 34.32 C ATOM 806 C SER A 55 28.950 -33.331 -70.524 1.00 22.21 C ATOM 807 O SER A 55 28.023 -34.088 -70.814 1.00 0.01 O ATOM 808 CB SER A 55 31.334 -33.888 -71.040 1.00 20.22 C ATOM 809 OG SER A 55 31.004 -33.003 -72.096 1.00 71.32 O ATOM 0 H SER A 55 30.239 -35.293 -68.409 1.00 1.22 H new ATOM 0 HA SER A 55 30.579 -33.223 -69.142 1.00 34.32 H new ATOM 0 HB2 SER A 55 32.293 -33.603 -70.609 1.00 20.22 H new ATOM 0 HB3 SER A 55 31.448 -34.899 -71.431 1.00 20.22 H new ATOM 0 HG SER A 55 31.709 -33.028 -72.776 1.00 71.32 H new ATOM 815 N HIS A 56 28.884 -32.013 -70.682 1.00 45.00 N ATOM 816 CA HIS A 56 27.692 -31.366 -71.218 1.00 42.20 C ATOM 817 C HIS A 56 28.032 -30.541 -72.456 1.00 11.45 C ATOM 818 O HIS A 56 28.441 -29.384 -72.351 1.00 14.13 O ATOM 819 CB HIS A 56 27.050 -30.473 -70.156 1.00 74.20 C ATOM 820 CG HIS A 56 25.675 -30.003 -70.521 1.00 2.13 C ATOM 821 ND1 HIS A 56 25.389 -28.693 -70.843 1.00 72.10 N ATOM 822 CD2 HIS A 56 24.505 -30.676 -70.615 1.00 31.43 C ATOM 823 CE1 HIS A 56 24.101 -28.581 -71.118 1.00 25.02 C ATOM 824 NE2 HIS A 56 23.542 -29.771 -70.987 1.00 44.50 N ATOM 0 H HIS A 56 29.642 -31.372 -70.447 1.00 45.00 H new ATOM 0 HA HIS A 56 26.984 -32.144 -71.504 1.00 42.20 H new ATOM 0 HB2 HIS A 56 27.000 -31.020 -69.215 1.00 74.20 H new ATOM 0 HB3 HIS A 56 27.689 -29.606 -69.987 1.00 74.20 H new ATOM 0 HD2 HIS A 56 24.356 -31.730 -70.431 1.00 31.43 H new ATOM 0 HE1 HIS A 56 23.592 -27.672 -71.402 1.00 25.02 H new ATOM 0 HE2 HIS A 56 22.556 -29.983 -71.138 1.00 44.50 H new ATOM 1069 N THR A 75 28.842 -33.118 -61.074 1.00 20.52 N ATOM 1070 CA THR A 75 29.853 -34.038 -61.581 1.00 52.43 C ATOM 1071 C THR A 75 29.343 -34.797 -62.801 1.00 40.51 C ATOM 1072 O THR A 75 28.201 -34.616 -63.225 1.00 12.15 O ATOM 1073 CB THR A 75 30.283 -35.051 -60.503 1.00 51.55 C ATOM 1074 OG1 THR A 75 29.438 -36.206 -60.552 1.00 10.43 O ATOM 1075 CG2 THR A 75 30.218 -34.426 -59.118 1.00 25.23 C ATOM 0 HA THR A 75 30.715 -33.434 -61.866 1.00 52.43 H new ATOM 0 HB THR A 75 31.313 -35.347 -60.703 1.00 51.55 H new ATOM 0 HG1 THR A 75 29.718 -36.846 -59.865 1.00 10.43 H new ATOM 0 HG21 THR A 75 30.526 -35.160 -58.373 1.00 25.23 H new ATOM 0 HG22 THR A 75 30.884 -33.564 -59.076 1.00 25.23 H new ATOM 0 HG23 THR A 75 29.197 -34.105 -58.911 1.00 25.23 H new ATOM 1083 N HIS A 76 30.196 -35.647 -63.362 1.00 65.14 N ATOM 1084 CA HIS A 76 29.831 -36.435 -64.534 1.00 61.31 C ATOM 1085 C HIS A 76 30.959 -37.387 -64.922 1.00 12.10 C ATOM 1086 O HIS A 76 30.715 -38.472 -65.450 1.00 41.14 O ATOM 1087 CB HIS A 76 29.497 -35.516 -65.709 1.00 70.03 C ATOM 1088 CG HIS A 76 28.030 -35.414 -65.992 1.00 34.23 C ATOM 1089 ND1 HIS A 76 27.136 -36.424 -65.705 1.00 21.44 N ATOM 1090 CD2 HIS A 76 27.301 -34.413 -66.537 1.00 55.24 C ATOM 1091 CE1 HIS A 76 25.921 -36.050 -66.063 1.00 1.51 C ATOM 1092 NE2 HIS A 76 25.993 -34.832 -66.571 1.00 24.43 N ATOM 0 H HIS A 76 31.145 -35.808 -63.024 1.00 65.14 H new ATOM 0 HA HIS A 76 28.950 -37.026 -64.283 1.00 61.31 H new ATOM 0 HB2 HIS A 76 29.889 -34.520 -65.503 1.00 70.03 H new ATOM 0 HB3 HIS A 76 30.006 -35.881 -66.601 1.00 70.03 H new ATOM 0 HD2 HIS A 76 27.677 -33.461 -66.881 1.00 55.24 H new ATOM 0 HE1 HIS A 76 25.022 -36.639 -65.958 1.00 1.51 H new ATOM 0 HE2 HIS A 76 25.206 -34.291 -66.930 1.00 24.43 H new ATOM 1100 N PHE A 77 32.193 -36.973 -64.657 1.00 4.13 N ATOM 1101 CA PHE A 77 33.359 -37.788 -64.980 1.00 11.24 C ATOM 1102 C PHE A 77 33.990 -38.360 -63.714 1.00 2.33 C ATOM 1103 O PHE A 77 34.181 -37.649 -62.727 1.00 3.11 O ATOM 1104 CB PHE A 77 34.390 -36.959 -65.748 1.00 3.43 C ATOM 1105 CG PHE A 77 35.712 -37.653 -65.917 1.00 15.31 C ATOM 1106 CD1 PHE A 77 35.827 -38.759 -66.743 1.00 31.33 C ATOM 1107 CD2 PHE A 77 36.838 -37.198 -65.251 1.00 21.34 C ATOM 1108 CE1 PHE A 77 37.041 -39.400 -66.899 1.00 63.24 C ATOM 1109 CE2 PHE A 77 38.055 -37.835 -65.404 1.00 4.12 C ATOM 1110 CZ PHE A 77 38.157 -38.937 -66.230 1.00 42.32 C ATOM 0 H PHE A 77 32.412 -36.078 -64.219 1.00 4.13 H new ATOM 0 HA PHE A 77 33.030 -38.617 -65.607 1.00 11.24 H new ATOM 0 HB2 PHE A 77 33.988 -36.715 -66.732 1.00 3.43 H new ATOM 0 HB3 PHE A 77 34.548 -36.016 -65.225 1.00 3.43 H new ATOM 0 HD1 PHE A 77 34.958 -39.124 -67.271 1.00 31.33 H new ATOM 0 HD2 PHE A 77 36.764 -36.336 -64.605 1.00 21.34 H new ATOM 0 HE1 PHE A 77 37.117 -40.263 -67.544 1.00 63.24 H new ATOM 0 HE2 PHE A 77 38.925 -37.471 -64.878 1.00 4.12 H new ATOM 0 HZ PHE A 77 39.107 -39.436 -66.353 1.00 42.32 H new ATOM 1120 N ARG A 78 34.311 -39.649 -63.750 1.00 42.12 N ATOM 1121 CA ARG A 78 34.919 -40.318 -62.606 1.00 42.52 C ATOM 1122 C ARG A 78 35.803 -41.476 -63.060 1.00 0.30 C ATOM 1123 O ARG A 78 35.429 -42.246 -63.945 1.00 61.42 O ATOM 1124 CB ARG A 78 33.837 -40.830 -61.654 1.00 62.41 C ATOM 1125 CG ARG A 78 33.357 -42.236 -61.978 1.00 51.41 C ATOM 1126 CD ARG A 78 31.967 -42.493 -61.416 1.00 44.35 C ATOM 1127 NE ARG A 78 31.982 -42.637 -59.963 1.00 44.52 N ATOM 1128 CZ ARG A 78 30.901 -42.907 -59.240 1.00 63.13 C ATOM 1129 NH1 ARG A 78 29.725 -43.063 -59.833 1.00 4.33 N ATOM 1130 NH2 ARG A 78 30.995 -43.023 -57.922 1.00 3.12 N ATOM 0 H ARG A 78 34.160 -40.251 -64.559 1.00 42.12 H new ATOM 0 HA ARG A 78 35.541 -39.593 -62.081 1.00 42.52 H new ATOM 0 HB2 ARG A 78 34.224 -40.813 -60.635 1.00 62.41 H new ATOM 0 HB3 ARG A 78 32.987 -40.149 -61.684 1.00 62.41 H new ATOM 0 HG2 ARG A 78 33.346 -42.378 -63.059 1.00 51.41 H new ATOM 0 HG3 ARG A 78 34.057 -42.964 -61.568 1.00 51.41 H new ATOM 0 HD2 ARG A 78 31.307 -41.671 -61.692 1.00 44.35 H new ATOM 0 HD3 ARG A 78 31.556 -43.397 -61.866 1.00 44.35 H new ATOM 0 HE ARG A 78 32.871 -42.524 -59.477 1.00 44.52 H new ATOM 0 HH11 ARG A 78 29.649 -42.976 -60.846 1.00 4.33 H new ATOM 0 HH12 ARG A 78 28.896 -43.270 -59.276 1.00 4.33 H new ATOM 0 HH21 ARG A 78 31.898 -42.905 -57.463 1.00 3.12 H new ATOM 0 HH22 ARG A 78 30.164 -43.230 -57.368 1.00 3.12 H new ATOM 1144 N LEU A 79 36.977 -41.592 -62.449 1.00 13.03 N ATOM 1145 CA LEU A 79 37.915 -42.656 -62.790 1.00 12.23 C ATOM 1146 C LEU A 79 38.270 -43.483 -61.559 1.00 25.52 C ATOM 1147 O LEU A 79 38.869 -42.977 -60.611 1.00 12.44 O ATOM 1148 CB LEU A 79 39.184 -42.065 -63.405 1.00 64.14 C ATOM 1149 CG LEU A 79 40.271 -43.068 -63.794 1.00 43.00 C ATOM 1150 CD1 LEU A 79 41.157 -43.386 -62.599 1.00 15.40 C ATOM 1151 CD2 LEU A 79 39.649 -44.340 -64.352 1.00 12.50 C ATOM 0 H LEU A 79 37.302 -40.963 -61.715 1.00 13.03 H new ATOM 0 HA LEU A 79 37.436 -43.310 -63.519 1.00 12.23 H new ATOM 0 HB2 LEU A 79 38.904 -41.500 -64.294 1.00 64.14 H new ATOM 0 HB3 LEU A 79 39.610 -41.354 -62.697 1.00 64.14 H new ATOM 0 HG LEU A 79 40.890 -42.619 -64.571 1.00 43.00 H new ATOM 0 HD11 LEU A 79 41.924 -44.101 -62.895 1.00 15.40 H new ATOM 0 HD12 LEU A 79 41.631 -42.471 -62.244 1.00 15.40 H new ATOM 0 HD13 LEU A 79 40.551 -43.814 -61.800 1.00 15.40 H new ATOM 0 HD21 LEU A 79 40.438 -45.042 -64.623 1.00 12.50 H new ATOM 0 HD22 LEU A 79 39.005 -44.792 -63.597 1.00 12.50 H new ATOM 0 HD23 LEU A 79 39.058 -44.099 -65.236 1.00 12.50 H new ATOM 1163 N GLU A 80 37.900 -44.760 -61.583 1.00 15.12 N ATOM 1164 CA GLU A 80 38.181 -45.658 -60.469 1.00 2.52 C ATOM 1165 C GLU A 80 39.038 -46.836 -60.923 1.00 1.23 C ATOM 1166 O GLU A 80 38.971 -47.259 -62.077 1.00 11.40 O ATOM 1167 CB GLU A 80 36.876 -46.169 -59.854 1.00 44.52 C ATOM 1168 CG GLU A 80 37.055 -46.795 -58.481 1.00 54.23 C ATOM 1169 CD GLU A 80 36.929 -48.306 -58.509 1.00 4.34 C ATOM 1170 OE1 GLU A 80 37.905 -48.974 -58.909 1.00 65.04 O ATOM 1171 OE2 GLU A 80 35.856 -48.820 -58.130 1.00 4.31 O ATOM 0 H GLU A 80 37.405 -45.195 -62.361 1.00 15.12 H new ATOM 0 HA GLU A 80 38.734 -45.098 -59.715 1.00 2.52 H new ATOM 0 HB2 GLU A 80 36.171 -45.341 -59.778 1.00 44.52 H new ATOM 0 HB3 GLU A 80 36.432 -46.905 -60.524 1.00 44.52 H new ATOM 0 HG2 GLU A 80 38.034 -46.523 -58.086 1.00 54.23 H new ATOM 0 HG3 GLU A 80 36.311 -46.384 -57.799 1.00 54.23 H new ATOM 1178 N VAL A 81 39.844 -47.362 -60.006 1.00 3.42 N ATOM 1179 CA VAL A 81 40.714 -48.491 -60.310 1.00 65.13 C ATOM 1180 C VAL A 81 40.835 -49.430 -59.115 1.00 52.12 C ATOM 1181 O VAL A 81 41.202 -49.012 -58.017 1.00 12.54 O ATOM 1182 CB VAL A 81 42.122 -48.020 -60.723 1.00 33.20 C ATOM 1183 CG1 VAL A 81 42.303 -46.542 -60.411 1.00 62.53 C ATOM 1184 CG2 VAL A 81 43.187 -48.855 -60.029 1.00 3.23 C ATOM 0 H VAL A 81 39.912 -47.024 -59.046 1.00 3.42 H new ATOM 0 HA VAL A 81 40.258 -49.025 -61.144 1.00 65.13 H new ATOM 0 HB VAL A 81 42.231 -48.155 -61.799 1.00 33.20 H new ATOM 0 HG11 VAL A 81 43.303 -46.227 -60.709 1.00 62.53 H new ATOM 0 HG12 VAL A 81 41.561 -45.961 -60.959 1.00 62.53 H new ATOM 0 HG13 VAL A 81 42.175 -46.378 -59.341 1.00 62.53 H new ATOM 0 HG21 VAL A 81 44.175 -48.509 -60.332 1.00 3.23 H new ATOM 0 HG22 VAL A 81 43.082 -48.753 -58.949 1.00 3.23 H new ATOM 0 HG23 VAL A 81 43.068 -49.902 -60.308 1.00 3.23 H new ATOM 1194 N THR A 82 40.524 -50.703 -59.336 1.00 74.42 N ATOM 1195 CA THR A 82 40.596 -51.703 -58.278 1.00 10.33 C ATOM 1196 C THR A 82 41.583 -52.809 -58.633 1.00 35.22 C ATOM 1197 O THR A 82 41.372 -53.560 -59.585 1.00 54.12 O ATOM 1198 CB THR A 82 39.216 -52.330 -58.002 1.00 3.32 C ATOM 1199 OG1 THR A 82 38.288 -51.315 -57.603 1.00 51.02 O ATOM 1200 CG2 THR A 82 39.312 -53.391 -56.917 1.00 33.44 C ATOM 0 H THR A 82 40.219 -51.066 -60.239 1.00 74.42 H new ATOM 0 HA THR A 82 40.939 -51.189 -57.380 1.00 10.33 H new ATOM 0 HB THR A 82 38.865 -52.802 -58.920 1.00 3.32 H new ATOM 0 HG1 THR A 82 38.276 -50.601 -58.274 1.00 51.02 H new ATOM 0 HG21 THR A 82 38.326 -53.820 -56.739 1.00 33.44 H new ATOM 0 HG22 THR A 82 39.997 -54.177 -57.236 1.00 33.44 H new ATOM 0 HG23 THR A 82 39.682 -52.938 -55.997 1.00 33.44 H new ATOM 1208 N SER A 83 42.660 -52.905 -57.861 1.00 21.14 N ATOM 1209 CA SER A 83 43.681 -53.919 -58.096 1.00 5.10 C ATOM 1210 C SER A 83 43.798 -54.860 -56.901 1.00 24.01 C ATOM 1211 O SER A 83 44.366 -54.503 -55.868 1.00 51.44 O ATOM 1212 CB SER A 83 45.033 -53.257 -58.373 1.00 32.24 C ATOM 1213 OG SER A 83 44.920 -51.845 -58.365 1.00 0.40 O ATOM 0 H SER A 83 42.848 -52.293 -57.067 1.00 21.14 H new ATOM 0 HA SER A 83 43.385 -54.502 -58.968 1.00 5.10 H new ATOM 0 HB2 SER A 83 45.756 -53.571 -57.621 1.00 32.24 H new ATOM 0 HB3 SER A 83 45.413 -53.589 -59.339 1.00 32.24 H new ATOM 0 HG SER A 83 45.720 -51.451 -58.771 1.00 0.40 H new ATOM 1219 N ASP A 84 43.257 -56.064 -57.049 1.00 63.12 N ATOM 1220 CA ASP A 84 43.301 -57.059 -55.983 1.00 50.54 C ATOM 1221 C ASP A 84 42.420 -56.638 -54.811 1.00 40.32 C ATOM 1222 O ASP A 84 42.411 -57.285 -53.765 1.00 21.41 O ATOM 1223 CB ASP A 84 44.740 -57.265 -55.508 1.00 11.33 C ATOM 1224 CG ASP A 84 45.249 -58.664 -55.793 1.00 41.10 C ATOM 1225 OD1 ASP A 84 44.832 -59.604 -55.084 1.00 1.45 O ATOM 1226 OD2 ASP A 84 46.064 -58.820 -56.726 1.00 52.43 O ATOM 0 H ASP A 84 42.783 -56.375 -57.897 1.00 63.12 H new ATOM 0 HA ASP A 84 42.920 -58.000 -56.381 1.00 50.54 H new ATOM 0 HB2 ASP A 84 45.389 -56.539 -55.998 1.00 11.33 H new ATOM 0 HB3 ASP A 84 44.797 -57.072 -54.437 1.00 11.33 H new ATOM 1231 N ALA A 85 41.681 -55.548 -54.994 1.00 63.20 N ATOM 1232 CA ALA A 85 40.796 -55.042 -53.952 1.00 45.54 C ATOM 1233 C ALA A 85 41.497 -55.023 -52.598 1.00 41.11 C ATOM 1234 O ALA A 85 41.309 -55.922 -51.778 1.00 13.41 O ATOM 1235 CB ALA A 85 39.529 -55.881 -53.882 1.00 4.02 C ATOM 0 H ALA A 85 41.678 -54.999 -55.854 1.00 63.20 H new ATOM 0 HA ALA A 85 40.525 -54.017 -54.206 1.00 45.54 H new ATOM 0 HB1 ALA A 85 38.878 -55.492 -53.100 1.00 4.02 H new ATOM 0 HB2 ALA A 85 39.011 -55.838 -54.840 1.00 4.02 H new ATOM 0 HB3 ALA A 85 39.789 -56.915 -53.656 1.00 4.02 H new ATOM 1241 N PHE A 86 42.307 -53.994 -52.370 1.00 73.00 N ATOM 1242 CA PHE A 86 43.037 -53.860 -51.115 1.00 43.42 C ATOM 1243 C PHE A 86 43.913 -52.610 -51.127 1.00 11.02 C ATOM 1244 O PHE A 86 45.065 -52.648 -51.560 1.00 74.44 O ATOM 1245 CB PHE A 86 43.900 -55.099 -50.868 1.00 3.54 C ATOM 1246 CG PHE A 86 43.385 -55.977 -49.764 1.00 21.31 C ATOM 1247 CD1 PHE A 86 43.168 -55.464 -48.496 1.00 12.44 C ATOM 1248 CD2 PHE A 86 43.118 -57.317 -49.995 1.00 24.33 C ATOM 1249 CE1 PHE A 86 42.693 -56.269 -47.478 1.00 23.53 C ATOM 1250 CE2 PHE A 86 42.643 -58.128 -48.981 1.00 4.20 C ATOM 1251 CZ PHE A 86 42.432 -57.604 -47.721 1.00 12.43 C ATOM 0 H PHE A 86 42.474 -53.241 -53.038 1.00 73.00 H new ATOM 0 HA PHE A 86 42.310 -53.766 -50.308 1.00 43.42 H new ATOM 0 HB2 PHE A 86 43.958 -55.681 -51.788 1.00 3.54 H new ATOM 0 HB3 PHE A 86 44.915 -54.783 -50.627 1.00 3.54 H new ATOM 0 HD1 PHE A 86 43.373 -54.422 -48.300 1.00 12.44 H new ATOM 0 HD2 PHE A 86 43.283 -57.733 -50.978 1.00 24.33 H new ATOM 0 HE1 PHE A 86 42.526 -55.855 -46.494 1.00 23.53 H new ATOM 0 HE2 PHE A 86 42.437 -59.170 -49.174 1.00 4.20 H new ATOM 0 HZ PHE A 86 42.064 -58.236 -46.927 1.00 12.43 H new ATOM 1261 N LYS A 87 43.358 -51.502 -50.648 1.00 1.34 N ATOM 1262 CA LYS A 87 44.086 -50.239 -50.601 1.00 64.42 C ATOM 1263 C LYS A 87 45.048 -50.210 -49.418 1.00 5.51 C ATOM 1264 O LYS A 87 44.786 -50.810 -48.377 1.00 12.55 O ATOM 1265 CB LYS A 87 43.108 -49.066 -50.507 1.00 25.03 C ATOM 1266 CG LYS A 87 43.789 -47.720 -50.332 1.00 2.51 C ATOM 1267 CD LYS A 87 42.820 -46.571 -50.559 1.00 22.24 C ATOM 1268 CE LYS A 87 43.392 -45.541 -51.521 1.00 31.31 C ATOM 1269 NZ LYS A 87 42.324 -44.866 -52.309 1.00 0.31 N ATOM 0 H LYS A 87 42.405 -51.453 -50.286 1.00 1.34 H new ATOM 0 HA LYS A 87 44.665 -50.147 -51.520 1.00 64.42 H new ATOM 0 HB2 LYS A 87 42.497 -49.040 -51.409 1.00 25.03 H new ATOM 0 HB3 LYS A 87 42.432 -49.234 -49.669 1.00 25.03 H new ATOM 0 HG2 LYS A 87 44.208 -47.651 -49.328 1.00 2.51 H new ATOM 0 HG3 LYS A 87 44.621 -47.639 -51.031 1.00 2.51 H new ATOM 0 HD2 LYS A 87 41.881 -46.958 -50.955 1.00 22.24 H new ATOM 0 HD3 LYS A 87 42.591 -46.093 -49.606 1.00 22.24 H new ATOM 0 HE2 LYS A 87 43.957 -44.795 -50.961 1.00 31.31 H new ATOM 0 HE3 LYS A 87 44.092 -46.028 -52.200 1.00 31.31 H new ATOM 0 HZ1 LYS A 87 42.757 -44.299 -53.066 1.00 0.31 H new ATOM 0 HZ2 LYS A 87 41.696 -45.582 -52.728 1.00 0.31 H new ATOM 0 HZ3 LYS A 87 41.772 -44.245 -51.684 1.00 0.31 H new ATOM 1283 N GLY A 88 46.164 -49.506 -49.585 1.00 40.53 N ATOM 1284 CA GLY A 88 47.147 -49.410 -48.522 1.00 43.33 C ATOM 1285 C GLY A 88 48.378 -48.630 -48.940 1.00 3.02 C ATOM 1286 O GLY A 88 49.017 -47.976 -48.115 1.00 5.32 O ATOM 0 H GLY A 88 46.404 -49.001 -50.438 1.00 40.53 H new ATOM 0 HA2 GLY A 88 46.694 -48.930 -47.654 1.00 43.33 H new ATOM 0 HA3 GLY A 88 47.443 -50.413 -48.213 1.00 43.33 H new ATOM 1290 N LEU A 89 48.714 -48.700 -50.223 1.00 53.23 N ATOM 1291 CA LEU A 89 49.878 -47.996 -50.749 1.00 42.03 C ATOM 1292 C LEU A 89 49.485 -46.628 -51.299 1.00 25.31 C ATOM 1293 O LEU A 89 48.315 -46.374 -51.585 1.00 71.43 O ATOM 1294 CB LEU A 89 50.548 -48.826 -51.846 1.00 11.21 C ATOM 1295 CG LEU A 89 49.744 -49.011 -53.133 1.00 74.21 C ATOM 1296 CD1 LEU A 89 49.967 -47.839 -54.076 1.00 12.24 C ATOM 1297 CD2 LEU A 89 50.117 -50.322 -53.811 1.00 52.51 C ATOM 0 H LEU A 89 48.197 -49.237 -50.919 1.00 53.23 H new ATOM 0 HA LEU A 89 50.583 -47.849 -49.931 1.00 42.03 H new ATOM 0 HB2 LEU A 89 51.499 -48.357 -52.099 1.00 11.21 H new ATOM 0 HB3 LEU A 89 50.777 -49.811 -51.440 1.00 11.21 H new ATOM 0 HG LEU A 89 48.686 -49.046 -52.875 1.00 74.21 H new ATOM 0 HD11 LEU A 89 49.387 -47.989 -54.986 1.00 12.24 H new ATOM 0 HD12 LEU A 89 49.649 -46.916 -53.591 1.00 12.24 H new ATOM 0 HD13 LEU A 89 51.025 -47.771 -54.328 1.00 12.24 H new ATOM 0 HD21 LEU A 89 49.535 -50.437 -54.725 1.00 52.51 H new ATOM 0 HD22 LEU A 89 51.179 -50.316 -54.055 1.00 52.51 H new ATOM 0 HD23 LEU A 89 49.904 -51.153 -53.138 1.00 52.51 H new ATOM 1309 N THR A 90 50.472 -45.750 -51.446 1.00 43.30 N ATOM 1310 CA THR A 90 50.231 -44.408 -51.962 1.00 73.43 C ATOM 1311 C THR A 90 49.259 -44.438 -53.137 1.00 1.04 C ATOM 1312 O THR A 90 49.608 -44.877 -54.233 1.00 72.33 O ATOM 1313 CB THR A 90 51.541 -43.735 -52.412 1.00 1.12 C ATOM 1314 OG1 THR A 90 51.253 -42.631 -53.277 1.00 12.22 O ATOM 1315 CG2 THR A 90 52.441 -44.728 -53.132 1.00 33.24 C ATOM 0 H THR A 90 51.446 -45.944 -51.215 1.00 43.30 H new ATOM 0 HA THR A 90 49.796 -43.829 -51.147 1.00 73.43 H new ATOM 0 HB THR A 90 52.061 -43.375 -51.524 1.00 1.12 H new ATOM 0 HG1 THR A 90 52.091 -42.208 -53.557 1.00 12.22 H new ATOM 0 HG21 THR A 90 53.360 -44.229 -53.440 1.00 33.24 H new ATOM 0 HG22 THR A 90 52.683 -45.552 -52.461 1.00 33.24 H new ATOM 0 HG23 THR A 90 51.926 -45.115 -54.011 1.00 33.24 H new ATOM 1323 N LEU A 91 48.039 -43.968 -52.901 1.00 43.30 N ATOM 1324 CA LEU A 91 47.016 -43.939 -53.941 1.00 22.44 C ATOM 1325 C LEU A 91 47.368 -42.925 -55.024 1.00 3.23 C ATOM 1326 O LEU A 91 47.085 -43.136 -56.203 1.00 65.40 O ATOM 1327 CB LEU A 91 45.653 -43.602 -53.333 1.00 63.14 C ATOM 1328 CG LEU A 91 45.395 -42.123 -53.045 1.00 13.12 C ATOM 1329 CD1 LEU A 91 43.909 -41.871 -52.839 1.00 22.14 C ATOM 1330 CD2 LEU A 91 46.188 -41.670 -51.828 1.00 23.32 C ATOM 0 H LEU A 91 47.734 -43.602 -51.999 1.00 43.30 H new ATOM 0 HA LEU A 91 46.969 -44.928 -54.398 1.00 22.44 H new ATOM 0 HB2 LEU A 91 44.877 -43.961 -54.009 1.00 63.14 H new ATOM 0 HB3 LEU A 91 45.546 -44.157 -52.401 1.00 63.14 H new ATOM 0 HG LEU A 91 45.726 -41.542 -53.906 1.00 13.12 H new ATOM 0 HD11 LEU A 91 43.744 -40.813 -52.635 1.00 22.14 H new ATOM 0 HD12 LEU A 91 43.363 -42.156 -53.738 1.00 22.14 H new ATOM 0 HD13 LEU A 91 43.553 -42.463 -51.996 1.00 22.14 H new ATOM 0 HD21 LEU A 91 45.992 -40.615 -51.638 1.00 23.32 H new ATOM 0 HD22 LEU A 91 45.889 -42.257 -50.960 1.00 23.32 H new ATOM 0 HD23 LEU A 91 47.252 -41.814 -52.013 1.00 23.32 H new ATOM 1342 N VAL A 92 47.989 -41.823 -54.616 1.00 3.44 N ATOM 1343 CA VAL A 92 48.384 -40.776 -55.551 1.00 74.32 C ATOM 1344 C VAL A 92 49.349 -41.314 -56.602 1.00 1.44 C ATOM 1345 O VAL A 92 49.384 -40.831 -57.734 1.00 21.12 O ATOM 1346 CB VAL A 92 49.043 -39.591 -54.822 1.00 43.21 C ATOM 1347 CG1 VAL A 92 48.055 -38.931 -53.872 1.00 41.15 C ATOM 1348 CG2 VAL A 92 50.287 -40.050 -54.076 1.00 31.11 C ATOM 0 H VAL A 92 48.230 -41.632 -53.643 1.00 3.44 H new ATOM 0 HA VAL A 92 47.474 -40.429 -56.041 1.00 74.32 H new ATOM 0 HB VAL A 92 49.344 -38.852 -55.565 1.00 43.21 H new ATOM 0 HG11 VAL A 92 48.539 -38.096 -53.366 1.00 41.15 H new ATOM 0 HG12 VAL A 92 47.197 -38.565 -54.436 1.00 41.15 H new ATOM 0 HG13 VAL A 92 47.720 -39.658 -53.132 1.00 41.15 H new ATOM 0 HG21 VAL A 92 50.740 -39.200 -53.566 1.00 31.11 H new ATOM 0 HG22 VAL A 92 50.012 -40.808 -53.343 1.00 31.11 H new ATOM 0 HG23 VAL A 92 51.001 -40.471 -54.784 1.00 31.11 H new ATOM 1358 N LYS A 93 50.132 -42.317 -56.219 1.00 43.54 N ATOM 1359 CA LYS A 93 51.098 -42.923 -57.128 1.00 4.42 C ATOM 1360 C LYS A 93 50.392 -43.636 -58.276 1.00 41.13 C ATOM 1361 O LYS A 93 50.790 -43.512 -59.435 1.00 1.03 O ATOM 1362 CB LYS A 93 51.991 -43.910 -56.372 1.00 15.11 C ATOM 1363 CG LYS A 93 52.911 -44.712 -57.275 1.00 20.40 C ATOM 1364 CD LYS A 93 52.606 -46.199 -57.202 1.00 61.24 C ATOM 1365 CE LYS A 93 53.465 -46.992 -58.176 1.00 34.43 C ATOM 1366 NZ LYS A 93 54.680 -47.548 -57.518 1.00 51.41 N ATOM 0 H LYS A 93 50.117 -42.727 -55.285 1.00 43.54 H new ATOM 0 HA LYS A 93 51.717 -42.128 -57.544 1.00 4.42 H new ATOM 0 HB2 LYS A 93 52.594 -43.361 -55.649 1.00 15.11 H new ATOM 0 HB3 LYS A 93 51.361 -44.597 -55.806 1.00 15.11 H new ATOM 0 HG2 LYS A 93 52.804 -44.368 -58.304 1.00 20.40 H new ATOM 0 HG3 LYS A 93 53.948 -44.538 -56.987 1.00 20.40 H new ATOM 0 HD2 LYS A 93 52.779 -46.558 -56.187 1.00 61.24 H new ATOM 0 HD3 LYS A 93 51.552 -46.367 -57.424 1.00 61.24 H new ATOM 0 HE2 LYS A 93 52.877 -47.806 -58.600 1.00 34.43 H new ATOM 0 HE3 LYS A 93 53.763 -46.349 -59.004 1.00 34.43 H new ATOM 0 HZ1 LYS A 93 55.239 -48.081 -58.214 1.00 51.41 H new ATOM 0 HZ2 LYS A 93 55.255 -46.770 -57.136 1.00 51.41 H new ATOM 0 HZ3 LYS A 93 54.396 -48.182 -56.744 1.00 51.41 H new ATOM 1380 N ARG A 94 49.342 -44.381 -57.948 1.00 20.25 N ATOM 1381 CA ARG A 94 48.580 -45.114 -58.952 1.00 45.31 C ATOM 1382 C ARG A 94 47.919 -44.156 -59.938 1.00 53.41 C ATOM 1383 O ARG A 94 47.997 -44.346 -61.152 1.00 53.13 O ATOM 1384 CB ARG A 94 47.518 -45.986 -58.281 1.00 60.33 C ATOM 1385 CG ARG A 94 47.965 -47.420 -58.049 1.00 63.33 C ATOM 1386 CD ARG A 94 47.412 -48.356 -59.113 1.00 41.51 C ATOM 1387 NE ARG A 94 47.805 -47.947 -60.459 1.00 53.31 N ATOM 1388 CZ ARG A 94 47.808 -48.766 -61.505 1.00 35.14 C ATOM 1389 NH1 ARG A 94 47.440 -50.032 -61.360 1.00 41.20 N ATOM 1390 NH2 ARG A 94 48.178 -48.320 -62.698 1.00 11.40 N ATOM 0 H ARG A 94 48.999 -44.493 -56.994 1.00 20.25 H new ATOM 0 HA ARG A 94 49.271 -45.754 -59.501 1.00 45.31 H new ATOM 0 HB2 ARG A 94 47.245 -45.540 -57.324 1.00 60.33 H new ATOM 0 HB3 ARG A 94 46.620 -45.990 -58.899 1.00 60.33 H new ATOM 0 HG2 ARG A 94 49.054 -47.468 -58.052 1.00 63.33 H new ATOM 0 HG3 ARG A 94 47.634 -47.751 -57.065 1.00 63.33 H new ATOM 0 HD2 ARG A 94 47.766 -49.369 -58.924 1.00 41.51 H new ATOM 0 HD3 ARG A 94 46.324 -48.381 -59.045 1.00 41.51 H new ATOM 0 HE ARG A 94 48.093 -46.979 -60.604 1.00 53.31 H new ATOM 0 HH11 ARG A 94 47.154 -50.378 -60.444 1.00 41.20 H new ATOM 0 HH12 ARG A 94 47.443 -50.659 -62.164 1.00 41.20 H new ATOM 0 HH21 ARG A 94 48.461 -47.347 -62.813 1.00 11.40 H new ATOM 0 HH22 ARG A 94 48.180 -48.950 -63.500 1.00 11.40 H new ATOM 1404 N HIS A 95 47.267 -43.126 -59.408 1.00 11.42 N ATOM 1405 CA HIS A 95 46.591 -42.137 -60.241 1.00 63.41 C ATOM 1406 C HIS A 95 47.580 -41.448 -61.177 1.00 22.43 C ATOM 1407 O HIS A 95 47.256 -41.150 -62.326 1.00 12.44 O ATOM 1408 CB HIS A 95 45.888 -41.098 -59.368 1.00 4.42 C ATOM 1409 CG HIS A 95 44.533 -41.528 -58.898 1.00 1.03 C ATOM 1410 ND1 HIS A 95 43.900 -40.966 -57.809 1.00 45.41 N ATOM 1411 CD2 HIS A 95 43.688 -42.471 -59.376 1.00 63.11 C ATOM 1412 CE1 HIS A 95 42.726 -41.545 -57.637 1.00 70.42 C ATOM 1413 NE2 HIS A 95 42.573 -42.462 -58.575 1.00 73.45 N ATOM 0 H HIS A 95 47.192 -42.954 -58.405 1.00 11.42 H new ATOM 0 HA HIS A 95 45.847 -42.655 -60.845 1.00 63.41 H new ATOM 0 HB2 HIS A 95 46.512 -40.882 -58.501 1.00 4.42 H new ATOM 0 HB3 HIS A 95 45.791 -40.169 -59.930 1.00 4.42 H new ATOM 0 HD2 HIS A 95 43.859 -43.111 -60.229 1.00 63.11 H new ATOM 0 HE1 HIS A 95 42.012 -41.309 -56.861 1.00 70.42 H new ATOM 0 HE2 HIS A 95 41.758 -43.066 -58.686 1.00 73.45 H new ATOM 1421 N GLN A 96 48.786 -41.199 -60.676 1.00 71.21 N ATOM 1422 CA GLN A 96 49.821 -40.544 -61.467 1.00 74.14 C ATOM 1423 C GLN A 96 50.380 -41.492 -62.524 1.00 11.34 C ATOM 1424 O GLN A 96 50.671 -41.083 -63.648 1.00 54.54 O ATOM 1425 CB GLN A 96 50.949 -40.049 -60.561 1.00 13.11 C ATOM 1426 CG GLN A 96 52.176 -39.572 -61.321 1.00 74.34 C ATOM 1427 CD GLN A 96 53.345 -39.262 -60.408 1.00 14.45 C ATOM 1428 OE1 GLN A 96 53.251 -38.402 -59.531 1.00 11.01 O ATOM 1429 NE2 GLN A 96 54.455 -39.962 -60.608 1.00 1.34 N ATOM 0 H GLN A 96 49.070 -41.441 -59.727 1.00 71.21 H new ATOM 0 HA GLN A 96 49.370 -39.690 -61.973 1.00 74.14 H new ATOM 0 HB2 GLN A 96 50.575 -39.233 -59.943 1.00 13.11 H new ATOM 0 HB3 GLN A 96 51.240 -40.853 -59.885 1.00 13.11 H new ATOM 0 HG2 GLN A 96 52.474 -40.336 -62.039 1.00 74.34 H new ATOM 0 HG3 GLN A 96 51.920 -38.680 -61.893 1.00 74.34 H new ATOM 0 HE21 GLN A 96 54.489 -40.665 -61.346 1.00 1.34 H new ATOM 0 HE22 GLN A 96 55.274 -39.797 -60.023 1.00 1.34 H new ATOM 1438 N LEU A 97 50.529 -42.759 -62.155 1.00 35.13 N ATOM 1439 CA LEU A 97 51.054 -43.766 -63.071 1.00 13.05 C ATOM 1440 C LEU A 97 50.287 -43.755 -64.389 1.00 45.14 C ATOM 1441 O LEU A 97 50.885 -43.696 -65.465 1.00 35.42 O ATOM 1442 CB LEU A 97 50.975 -45.154 -62.433 1.00 74.32 C ATOM 1443 CG LEU A 97 52.192 -45.589 -61.617 1.00 45.40 C ATOM 1444 CD1 LEU A 97 51.956 -46.954 -60.990 1.00 51.14 C ATOM 1445 CD2 LEU A 97 53.439 -45.609 -62.489 1.00 43.22 C ATOM 0 H LEU A 97 50.294 -43.114 -61.228 1.00 35.13 H new ATOM 0 HA LEU A 97 52.097 -43.526 -63.277 1.00 13.05 H new ATOM 0 HB2 LEU A 97 50.099 -45.185 -61.785 1.00 74.32 H new ATOM 0 HB3 LEU A 97 50.812 -45.886 -63.224 1.00 74.32 H new ATOM 0 HG LEU A 97 52.344 -44.866 -60.815 1.00 45.40 H new ATOM 0 HD11 LEU A 97 52.834 -47.246 -60.413 1.00 51.14 H new ATOM 0 HD12 LEU A 97 51.088 -46.907 -60.332 1.00 51.14 H new ATOM 0 HD13 LEU A 97 51.777 -47.689 -61.775 1.00 51.14 H new ATOM 0 HD21 LEU A 97 54.296 -45.921 -61.892 1.00 43.22 H new ATOM 0 HD22 LEU A 97 53.296 -46.309 -63.312 1.00 43.22 H new ATOM 0 HD23 LEU A 97 53.619 -44.611 -62.889 1.00 43.22 H new ATOM 1457 N ILE A 98 48.963 -43.809 -64.299 1.00 30.44 N ATOM 1458 CA ILE A 98 48.116 -43.802 -65.485 1.00 34.24 C ATOM 1459 C ILE A 98 47.984 -42.395 -66.058 1.00 20.33 C ATOM 1460 O ILE A 98 47.905 -42.214 -67.273 1.00 2.51 O ATOM 1461 CB ILE A 98 46.711 -44.352 -65.176 1.00 35.11 C ATOM 1462 CG1 ILE A 98 46.018 -43.482 -64.125 1.00 51.33 C ATOM 1463 CG2 ILE A 98 46.799 -45.795 -64.702 1.00 11.05 C ATOM 1464 CD1 ILE A 98 44.645 -43.983 -63.735 1.00 40.11 C ATOM 0 H ILE A 98 48.453 -43.858 -63.417 1.00 30.44 H new ATOM 0 HA ILE A 98 48.597 -44.447 -66.220 1.00 34.24 H new ATOM 0 HB ILE A 98 46.118 -44.326 -66.090 1.00 35.11 H new ATOM 0 HG12 ILE A 98 46.645 -43.434 -63.234 1.00 51.33 H new ATOM 0 HG13 ILE A 98 45.930 -42.465 -64.508 1.00 51.33 H new ATOM 0 HG21 ILE A 98 45.798 -46.169 -64.488 1.00 11.05 H new ATOM 0 HG22 ILE A 98 47.256 -46.406 -65.480 1.00 11.05 H new ATOM 0 HG23 ILE A 98 47.406 -45.845 -63.798 1.00 11.05 H new ATOM 0 HD11 ILE A 98 44.214 -43.318 -62.987 1.00 40.11 H new ATOM 0 HD12 ILE A 98 44.002 -44.005 -64.615 1.00 40.11 H new ATOM 0 HD13 ILE A 98 44.728 -44.988 -63.322 1.00 40.11 H new ATOM 1476 N TYR A 99 47.963 -41.403 -65.175 1.00 54.32 N ATOM 1477 CA TYR A 99 47.840 -40.011 -65.593 1.00 22.11 C ATOM 1478 C TYR A 99 46.740 -39.851 -66.637 1.00 54.42 C ATOM 1479 O TYR A 99 46.945 -39.235 -67.682 1.00 72.04 O ATOM 1480 CB TYR A 99 49.170 -39.507 -66.156 1.00 1.24 C ATOM 1481 CG TYR A 99 49.189 -38.019 -66.424 1.00 12.23 C ATOM 1482 CD1 TYR A 99 48.937 -37.106 -65.407 1.00 23.33 C ATOM 1483 CD2 TYR A 99 49.459 -37.526 -67.694 1.00 41.44 C ATOM 1484 CE1 TYR A 99 48.953 -35.746 -65.648 1.00 34.24 C ATOM 1485 CE2 TYR A 99 49.478 -36.167 -67.944 1.00 50.11 C ATOM 1486 CZ TYR A 99 49.224 -35.281 -66.918 1.00 34.44 C ATOM 1487 OH TYR A 99 49.241 -33.927 -67.161 1.00 62.23 O ATOM 0 H TYR A 99 48.029 -41.536 -64.166 1.00 54.32 H new ATOM 0 HA TYR A 99 47.575 -39.417 -64.718 1.00 22.11 H new ATOM 0 HB2 TYR A 99 49.968 -39.752 -65.455 1.00 1.24 H new ATOM 0 HB3 TYR A 99 49.387 -40.037 -67.083 1.00 1.24 H new ATOM 0 HD1 TYR A 99 48.725 -37.466 -64.411 1.00 23.33 H new ATOM 0 HD2 TYR A 99 49.658 -38.217 -68.500 1.00 41.44 H new ATOM 0 HE1 TYR A 99 48.754 -35.050 -64.846 1.00 34.24 H new ATOM 0 HE2 TYR A 99 49.691 -35.801 -68.937 1.00 50.11 H new ATOM 0 HH TYR A 99 49.449 -33.767 -68.105 1.00 62.23 H new ATOM 1497 N GLY A 100 45.569 -40.410 -66.345 1.00 1.42 N ATOM 1498 CA GLY A 100 44.452 -40.318 -67.267 1.00 2.42 C ATOM 1499 C GLY A 100 43.451 -39.255 -66.860 1.00 52.13 C ATOM 1500 O GLY A 100 42.586 -38.872 -67.649 1.00 41.44 O ATOM 0 H GLY A 100 45.374 -40.925 -65.486 1.00 1.42 H new ATOM 0 HA2 GLY A 100 44.827 -40.096 -68.266 1.00 2.42 H new ATOM 0 HA3 GLY A 100 43.950 -41.284 -67.322 1.00 2.42 H new ATOM 1504 N LEU A 101 43.565 -38.778 -65.626 1.00 30.14 N ATOM 1505 CA LEU A 101 42.661 -37.754 -65.114 1.00 51.34 C ATOM 1506 C LEU A 101 42.910 -36.415 -65.803 1.00 34.44 C ATOM 1507 O LEU A 101 43.975 -36.190 -66.379 1.00 13.33 O ATOM 1508 CB LEU A 101 42.833 -37.602 -63.602 1.00 63.20 C ATOM 1509 CG LEU A 101 42.667 -38.878 -62.776 1.00 64.54 C ATOM 1510 CD1 LEU A 101 41.633 -39.795 -63.412 1.00 2.32 C ATOM 1511 CD2 LEU A 101 44.001 -39.597 -62.631 1.00 1.42 C ATOM 0 H LEU A 101 44.275 -39.084 -64.961 1.00 30.14 H new ATOM 0 HA LEU A 101 41.639 -38.068 -65.327 1.00 51.34 H new ATOM 0 HB2 LEU A 101 43.825 -37.194 -63.409 1.00 63.20 H new ATOM 0 HB3 LEU A 101 42.111 -36.866 -63.247 1.00 63.20 H new ATOM 0 HG LEU A 101 42.316 -38.601 -61.782 1.00 64.54 H new ATOM 0 HD11 LEU A 101 41.528 -40.698 -62.810 1.00 2.32 H new ATOM 0 HD12 LEU A 101 40.673 -39.280 -63.464 1.00 2.32 H new ATOM 0 HD13 LEU A 101 41.955 -40.065 -64.418 1.00 2.32 H new ATOM 0 HD21 LEU A 101 43.864 -40.503 -62.040 1.00 1.42 H new ATOM 0 HD22 LEU A 101 44.381 -39.861 -63.618 1.00 1.42 H new ATOM 0 HD23 LEU A 101 44.715 -38.942 -62.131 1.00 1.42 H new ATOM 1523 N LEU A 102 41.921 -35.530 -65.737 1.00 45.12 N ATOM 1524 CA LEU A 102 42.033 -34.212 -66.352 1.00 43.22 C ATOM 1525 C LEU A 102 42.132 -34.326 -67.870 1.00 44.30 C ATOM 1526 O LEU A 102 43.199 -34.616 -68.412 1.00 75.44 O ATOM 1527 CB LEU A 102 43.256 -33.474 -65.804 1.00 12.42 C ATOM 1528 CG LEU A 102 43.211 -31.947 -65.886 1.00 71.40 C ATOM 1529 CD1 LEU A 102 42.688 -31.358 -64.585 1.00 55.15 C ATOM 1530 CD2 LEU A 102 44.589 -31.390 -66.210 1.00 3.02 C ATOM 0 H LEU A 102 41.033 -35.701 -65.264 1.00 45.12 H new ATOM 0 HA LEU A 102 41.134 -33.646 -66.106 1.00 43.22 H new ATOM 0 HB2 LEU A 102 43.389 -33.758 -64.760 1.00 12.42 H new ATOM 0 HB3 LEU A 102 44.137 -33.821 -66.344 1.00 12.42 H new ATOM 0 HG LEU A 102 42.529 -31.665 -66.688 1.00 71.40 H new ATOM 0 HD11 LEU A 102 42.663 -30.271 -64.662 1.00 55.15 H new ATOM 0 HD12 LEU A 102 41.682 -31.732 -64.395 1.00 55.15 H new ATOM 0 HD13 LEU A 102 43.344 -31.649 -63.764 1.00 55.15 H new ATOM 0 HD21 LEU A 102 44.538 -30.303 -66.264 1.00 3.02 H new ATOM 0 HD22 LEU A 102 45.292 -31.682 -65.430 1.00 3.02 H new ATOM 0 HD23 LEU A 102 44.925 -31.786 -67.168 1.00 3.02 H new ATOM 1542 N SER A 103 41.014 -34.093 -68.550 1.00 44.51 N ATOM 1543 CA SER A 103 40.975 -34.170 -70.006 1.00 33.43 C ATOM 1544 C SER A 103 39.612 -33.734 -70.536 1.00 64.21 C ATOM 1545 O SER A 103 39.439 -32.596 -70.972 1.00 1.11 O ATOM 1546 CB SER A 103 41.283 -35.595 -70.470 1.00 20.22 C ATOM 1547 OG SER A 103 42.637 -35.720 -70.870 1.00 53.51 O ATOM 0 H SER A 103 40.123 -33.849 -68.116 1.00 44.51 H new ATOM 0 HA SER A 103 41.733 -33.494 -70.402 1.00 33.43 H new ATOM 0 HB2 SER A 103 41.073 -36.297 -69.663 1.00 20.22 H new ATOM 0 HB3 SER A 103 40.629 -35.859 -71.301 1.00 20.22 H new ATOM 0 HG SER A 103 43.221 -35.383 -70.159 1.00 53.51 H new ATOM 1553 N ASP A 104 38.649 -34.648 -70.496 1.00 11.23 N ATOM 1554 CA ASP A 104 37.301 -34.359 -70.971 1.00 12.21 C ATOM 1555 C ASP A 104 36.513 -33.573 -69.927 1.00 23.21 C ATOM 1556 O ASP A 104 35.764 -32.657 -70.262 1.00 11.40 O ATOM 1557 CB ASP A 104 36.567 -35.657 -71.310 1.00 64.33 C ATOM 1558 CG ASP A 104 35.330 -35.420 -72.154 1.00 22.12 C ATOM 1559 OD1 ASP A 104 34.421 -34.704 -71.685 1.00 22.12 O ATOM 1560 OD2 ASP A 104 35.271 -35.951 -73.283 1.00 33.12 O ATOM 0 H ASP A 104 38.777 -35.595 -70.140 1.00 11.23 H new ATOM 0 HA ASP A 104 37.383 -33.751 -71.872 1.00 12.21 H new ATOM 0 HB2 ASP A 104 37.244 -36.325 -71.842 1.00 64.33 H new ATOM 0 HB3 ASP A 104 36.282 -36.161 -70.387 1.00 64.33 H new ATOM 1565 N GLU A 105 36.689 -33.940 -68.661 1.00 75.12 N ATOM 1566 CA GLU A 105 35.992 -33.270 -67.569 1.00 62.21 C ATOM 1567 C GLU A 105 36.219 -31.762 -67.623 1.00 70.11 C ATOM 1568 O GLU A 105 35.289 -30.976 -67.440 1.00 21.32 O ATOM 1569 CB GLU A 105 36.463 -33.820 -66.221 1.00 44.21 C ATOM 1570 CG GLU A 105 36.646 -32.750 -65.158 1.00 0.12 C ATOM 1571 CD GLU A 105 37.263 -33.293 -63.884 1.00 22.04 C ATOM 1572 OE1 GLU A 105 38.151 -34.166 -63.979 1.00 1.21 O ATOM 1573 OE2 GLU A 105 36.858 -32.844 -62.791 1.00 31.32 O ATOM 0 H GLU A 105 37.307 -34.696 -68.367 1.00 75.12 H new ATOM 0 HA GLU A 105 34.925 -33.463 -67.680 1.00 62.21 H new ATOM 0 HB2 GLU A 105 35.740 -34.554 -65.865 1.00 44.21 H new ATOM 0 HB3 GLU A 105 37.408 -34.345 -66.362 1.00 44.21 H new ATOM 0 HG2 GLU A 105 37.278 -31.955 -65.553 1.00 0.12 H new ATOM 0 HG3 GLU A 105 35.679 -32.303 -64.927 1.00 0.12 H new ATOM 1580 N PHE A 106 37.462 -31.365 -67.876 1.00 31.35 N ATOM 1581 CA PHE A 106 37.812 -29.952 -67.952 1.00 44.13 C ATOM 1582 C PHE A 106 36.993 -29.246 -69.028 1.00 55.23 C ATOM 1583 O PHE A 106 36.674 -28.063 -68.906 1.00 51.25 O ATOM 1584 CB PHE A 106 39.306 -29.790 -68.245 1.00 34.13 C ATOM 1585 CG PHE A 106 39.712 -28.371 -68.523 1.00 74.11 C ATOM 1586 CD1 PHE A 106 39.299 -27.343 -67.692 1.00 13.53 C ATOM 1587 CD2 PHE A 106 40.506 -28.066 -69.617 1.00 12.33 C ATOM 1588 CE1 PHE A 106 39.671 -26.036 -67.945 1.00 12.42 C ATOM 1589 CE2 PHE A 106 40.881 -26.761 -69.875 1.00 4.15 C ATOM 1590 CZ PHE A 106 40.462 -25.744 -69.038 1.00 64.43 C ATOM 0 H PHE A 106 38.243 -32.002 -68.032 1.00 31.35 H new ATOM 0 HA PHE A 106 37.585 -29.495 -66.989 1.00 44.13 H new ATOM 0 HB2 PHE A 106 39.877 -30.163 -67.395 1.00 34.13 H new ATOM 0 HB3 PHE A 106 39.569 -30.409 -69.102 1.00 34.13 H new ATOM 0 HD1 PHE A 106 38.679 -27.565 -66.836 1.00 13.53 H new ATOM 0 HD2 PHE A 106 40.835 -28.857 -70.275 1.00 12.33 H new ATOM 0 HE1 PHE A 106 39.343 -25.244 -67.288 1.00 12.42 H new ATOM 0 HE2 PHE A 106 41.501 -26.536 -70.730 1.00 4.15 H new ATOM 0 HZ PHE A 106 40.753 -24.723 -69.239 1.00 64.43 H new ATOM 1600 N LYS A 107 36.654 -29.980 -70.083 1.00 23.12 N ATOM 1601 CA LYS A 107 35.871 -29.427 -71.181 1.00 62.03 C ATOM 1602 C LYS A 107 34.520 -28.921 -70.686 1.00 22.03 C ATOM 1603 O LYS A 107 33.939 -28.005 -71.266 1.00 41.23 O ATOM 1604 CB LYS A 107 35.664 -30.483 -72.269 1.00 62.05 C ATOM 1605 CG LYS A 107 35.066 -29.927 -73.550 1.00 75.51 C ATOM 1606 CD LYS A 107 35.534 -30.706 -74.768 1.00 44.52 C ATOM 1607 CE LYS A 107 36.180 -29.792 -75.799 1.00 11.34 C ATOM 1608 NZ LYS A 107 37.564 -29.406 -75.408 1.00 62.02 N ATOM 0 H LYS A 107 36.910 -30.960 -70.200 1.00 23.12 H new ATOM 0 HA LYS A 107 36.423 -28.585 -71.600 1.00 62.03 H new ATOM 0 HB2 LYS A 107 36.622 -30.950 -72.498 1.00 62.05 H new ATOM 0 HB3 LYS A 107 35.012 -31.267 -71.884 1.00 62.05 H new ATOM 0 HG2 LYS A 107 33.978 -29.963 -73.490 1.00 75.51 H new ATOM 0 HG3 LYS A 107 35.345 -28.879 -73.658 1.00 75.51 H new ATOM 0 HD2 LYS A 107 36.247 -31.471 -74.460 1.00 44.52 H new ATOM 0 HD3 LYS A 107 34.687 -31.223 -75.218 1.00 44.52 H new ATOM 0 HE2 LYS A 107 36.203 -30.294 -76.766 1.00 11.34 H new ATOM 0 HE3 LYS A 107 35.573 -28.895 -75.920 1.00 11.34 H new ATOM 0 HZ1 LYS A 107 37.970 -28.784 -76.136 1.00 62.02 H new ATOM 0 HZ2 LYS A 107 37.540 -28.904 -74.497 1.00 62.02 H new ATOM 0 HZ3 LYS A 107 38.150 -30.260 -75.317 1.00 62.02 H new ATOM 1622 N ALA A 108 34.027 -29.523 -69.608 1.00 40.13 N ATOM 1623 CA ALA A 108 32.747 -29.131 -69.033 1.00 14.51 C ATOM 1624 C ALA A 108 32.944 -28.295 -67.772 1.00 70.35 C ATOM 1625 O ALA A 108 32.080 -27.503 -67.399 1.00 71.13 O ATOM 1626 CB ALA A 108 31.906 -30.361 -68.727 1.00 23.44 C ATOM 0 H ALA A 108 34.495 -30.284 -69.116 1.00 40.13 H new ATOM 0 HA ALA A 108 32.221 -28.518 -69.765 1.00 14.51 H new ATOM 0 HB1 ALA A 108 30.953 -30.052 -68.298 1.00 23.44 H new ATOM 0 HB2 ALA A 108 31.727 -30.917 -69.647 1.00 23.44 H new ATOM 0 HB3 ALA A 108 32.435 -30.996 -68.016 1.00 23.44 H new ATOM 1632 N GLY A 109 34.088 -28.479 -67.119 1.00 53.24 N ATOM 1633 CA GLY A 109 34.377 -27.736 -65.907 1.00 0.50 C ATOM 1634 C GLY A 109 33.729 -28.350 -64.682 1.00 4.21 C ATOM 1635 O GLY A 109 33.812 -27.798 -63.584 1.00 5.02 O ATOM 0 H GLY A 109 34.819 -29.129 -67.408 1.00 53.24 H new ATOM 0 HA2 GLY A 109 35.456 -27.692 -65.760 1.00 0.50 H new ATOM 0 HA3 GLY A 109 34.029 -26.709 -66.022 1.00 0.50 H new ATOM 1639 N LEU A 110 33.081 -29.494 -64.869 1.00 30.15 N ATOM 1640 CA LEU A 110 32.414 -30.184 -63.769 1.00 44.14 C ATOM 1641 C LEU A 110 33.427 -30.900 -62.882 1.00 22.30 C ATOM 1642 O LEU A 110 34.460 -31.373 -63.357 1.00 62.14 O ATOM 1643 CB LEU A 110 31.396 -31.187 -64.314 1.00 23.43 C ATOM 1644 CG LEU A 110 31.971 -32.487 -64.878 1.00 72.14 C ATOM 1645 CD1 LEU A 110 33.058 -32.191 -65.900 1.00 13.21 C ATOM 1646 CD2 LEU A 110 32.514 -33.362 -63.758 1.00 13.55 C ATOM 0 H LEU A 110 33.003 -29.964 -65.771 1.00 30.15 H new ATOM 0 HA LEU A 110 31.894 -29.439 -63.166 1.00 44.14 H new ATOM 0 HB2 LEU A 110 30.699 -31.438 -63.514 1.00 23.43 H new ATOM 0 HB3 LEU A 110 30.818 -30.698 -65.098 1.00 23.43 H new ATOM 0 HG LEU A 110 31.168 -33.029 -65.378 1.00 72.14 H new ATOM 0 HD11 LEU A 110 33.455 -33.128 -66.290 1.00 13.21 H new ATOM 0 HD12 LEU A 110 32.638 -31.606 -66.718 1.00 13.21 H new ATOM 0 HD13 LEU A 110 33.860 -31.627 -65.425 1.00 13.21 H new ATOM 0 HD21 LEU A 110 32.919 -34.282 -64.179 1.00 13.55 H new ATOM 0 HD22 LEU A 110 33.303 -32.828 -63.229 1.00 13.55 H new ATOM 0 HD23 LEU A 110 31.710 -33.604 -63.063 1.00 13.55 H new ATOM 1658 N HIS A 111 33.123 -30.979 -61.590 1.00 44.12 N ATOM 1659 CA HIS A 111 34.006 -31.641 -60.636 1.00 41.31 C ATOM 1660 C HIS A 111 33.951 -33.156 -60.805 1.00 53.04 C ATOM 1661 O HIS A 111 32.872 -33.742 -60.883 1.00 34.45 O ATOM 1662 CB HIS A 111 33.622 -31.261 -59.206 1.00 20.23 C ATOM 1663 CG HIS A 111 34.493 -30.196 -58.614 1.00 53.33 C ATOM 1664 ND1 HIS A 111 35.849 -30.353 -58.421 1.00 70.24 N ATOM 1665 CD2 HIS A 111 34.194 -28.951 -58.174 1.00 74.21 C ATOM 1666 CE1 HIS A 111 36.346 -29.252 -57.886 1.00 61.34 C ATOM 1667 NE2 HIS A 111 35.362 -28.386 -57.727 1.00 2.34 N ATOM 0 H HIS A 111 32.272 -30.593 -61.180 1.00 44.12 H new ATOM 0 HA HIS A 111 35.026 -31.309 -60.831 1.00 41.31 H new ATOM 0 HB2 HIS A 111 32.587 -30.920 -59.195 1.00 20.23 H new ATOM 0 HB3 HIS A 111 33.671 -32.150 -58.577 1.00 20.23 H new ATOM 0 HD2 HIS A 111 33.218 -28.489 -58.175 1.00 74.21 H new ATOM 0 HE1 HIS A 111 37.381 -29.088 -57.623 1.00 61.34 H new ATOM 0 HE2 HIS A 111 35.455 -27.449 -57.335 1.00 2.34 H new ATOM 1675 N ALA A 112 35.121 -33.783 -60.863 1.00 71.31 N ATOM 1676 CA ALA A 112 35.205 -35.230 -61.022 1.00 2.21 C ATOM 1677 C ALA A 112 35.836 -35.881 -59.796 1.00 11.13 C ATOM 1678 O ALA A 112 36.478 -35.211 -58.986 1.00 21.15 O ATOM 1679 CB ALA A 112 35.998 -35.578 -62.273 1.00 53.02 C ATOM 0 H ALA A 112 36.024 -33.312 -60.802 1.00 71.31 H new ATOM 0 HA ALA A 112 34.192 -35.619 -61.127 1.00 2.21 H new ATOM 0 HB1 ALA A 112 36.053 -36.661 -62.379 1.00 53.02 H new ATOM 0 HB2 ALA A 112 35.505 -35.152 -63.147 1.00 53.02 H new ATOM 0 HB3 ALA A 112 37.005 -35.170 -62.190 1.00 53.02 H new ATOM 1685 N LEU A 113 35.649 -37.189 -59.664 1.00 74.44 N ATOM 1686 CA LEU A 113 36.199 -37.932 -58.536 1.00 1.34 C ATOM 1687 C LEU A 113 37.087 -39.075 -59.017 1.00 3.35 C ATOM 1688 O LEU A 113 36.882 -39.619 -60.101 1.00 22.22 O ATOM 1689 CB LEU A 113 35.070 -38.481 -57.662 1.00 2.13 C ATOM 1690 CG LEU A 113 33.860 -39.047 -58.406 1.00 1.12 C ATOM 1691 CD1 LEU A 113 33.479 -40.409 -57.847 1.00 65.33 C ATOM 1692 CD2 LEU A 113 32.684 -38.086 -58.320 1.00 13.52 C ATOM 0 H LEU A 113 35.120 -37.758 -60.325 1.00 74.44 H new ATOM 0 HA LEU A 113 36.808 -37.248 -57.945 1.00 1.34 H new ATOM 0 HB2 LEU A 113 35.479 -39.265 -57.025 1.00 2.13 H new ATOM 0 HB3 LEU A 113 34.726 -37.683 -57.004 1.00 2.13 H new ATOM 0 HG LEU A 113 34.128 -39.170 -59.455 1.00 1.12 H new ATOM 0 HD11 LEU A 113 32.616 -40.796 -58.389 1.00 65.33 H new ATOM 0 HD12 LEU A 113 34.317 -41.096 -57.961 1.00 65.33 H new ATOM 0 HD13 LEU A 113 33.230 -40.312 -56.790 1.00 65.33 H new ATOM 0 HD21 LEU A 113 31.832 -38.505 -58.855 1.00 13.52 H new ATOM 0 HD22 LEU A 113 32.416 -37.932 -57.275 1.00 13.52 H new ATOM 0 HD23 LEU A 113 32.960 -37.132 -58.769 1.00 13.52 H new ATOM 1704 N ALA A 114 38.073 -39.434 -58.201 1.00 63.33 N ATOM 1705 CA ALA A 114 38.990 -40.515 -58.542 1.00 30.35 C ATOM 1706 C ALA A 114 39.223 -41.434 -57.347 1.00 4.33 C ATOM 1707 O ALA A 114 39.329 -40.974 -56.210 1.00 51.01 O ATOM 1708 CB ALA A 114 40.311 -39.949 -59.041 1.00 22.52 C ATOM 0 H ALA A 114 38.257 -38.993 -57.300 1.00 63.33 H new ATOM 0 HA ALA A 114 38.537 -41.105 -59.338 1.00 30.35 H new ATOM 0 HB1 ALA A 114 40.986 -40.767 -59.292 1.00 22.52 H new ATOM 0 HB2 ALA A 114 40.134 -39.340 -59.927 1.00 22.52 H new ATOM 0 HB3 ALA A 114 40.761 -39.334 -58.262 1.00 22.52 H new ATOM 1714 N MET A 115 39.302 -42.734 -57.612 1.00 3.50 N ATOM 1715 CA MET A 115 39.524 -43.716 -56.557 1.00 73.24 C ATOM 1716 C MET A 115 40.425 -44.845 -57.047 1.00 24.02 C ATOM 1717 O MET A 115 40.091 -45.553 -57.998 1.00 5.13 O ATOM 1718 CB MET A 115 38.189 -44.287 -56.074 1.00 40.12 C ATOM 1719 CG MET A 115 37.061 -43.268 -56.061 1.00 43.24 C ATOM 1720 SD MET A 115 35.773 -43.672 -54.866 1.00 63.02 S ATOM 1721 CE MET A 115 36.626 -43.343 -53.326 1.00 15.44 C ATOM 0 H MET A 115 39.216 -43.132 -58.547 1.00 3.50 H new ATOM 0 HA MET A 115 40.019 -43.214 -55.726 1.00 73.24 H new ATOM 0 HB2 MET A 115 37.907 -45.121 -56.716 1.00 40.12 H new ATOM 0 HB3 MET A 115 38.317 -44.688 -55.068 1.00 40.12 H new ATOM 0 HG2 MET A 115 37.469 -42.284 -55.831 1.00 43.24 H new ATOM 0 HG3 MET A 115 36.621 -43.206 -57.056 1.00 43.24 H new ATOM 0 HE1 MET A 115 35.896 -43.163 -52.537 1.00 15.44 H new ATOM 0 HE2 MET A 115 37.242 -44.202 -53.061 1.00 15.44 H new ATOM 0 HE3 MET A 115 37.260 -42.464 -53.442 1.00 15.44 H new ATOM 1731 N THR A 116 41.571 -45.008 -56.392 1.00 34.34 N ATOM 1732 CA THR A 116 42.521 -46.050 -56.761 1.00 13.10 C ATOM 1733 C THR A 116 42.916 -46.888 -55.550 1.00 42.25 C ATOM 1734 O THR A 116 43.564 -46.396 -54.626 1.00 44.21 O ATOM 1735 CB THR A 116 43.791 -45.452 -57.395 1.00 22.24 C ATOM 1736 OG1 THR A 116 44.766 -46.481 -57.601 1.00 51.32 O ATOM 1737 CG2 THR A 116 44.376 -44.362 -56.509 1.00 63.51 C ATOM 0 H THR A 116 41.863 -44.431 -55.603 1.00 34.34 H new ATOM 0 HA THR A 116 42.024 -46.687 -57.493 1.00 13.10 H new ATOM 0 HB THR A 116 43.519 -45.012 -58.354 1.00 22.24 H new ATOM 0 HG1 THR A 116 45.335 -46.556 -56.807 1.00 51.32 H new ATOM 0 HG21 THR A 116 45.272 -43.954 -56.977 1.00 63.51 H new ATOM 0 HG22 THR A 116 43.642 -43.567 -56.377 1.00 63.51 H new ATOM 0 HG23 THR A 116 44.634 -44.783 -55.537 1.00 63.51 H new ATOM 1745 N THR A 117 42.523 -48.158 -55.561 1.00 52.33 N ATOM 1746 CA THR A 117 42.836 -49.064 -54.464 1.00 71.20 C ATOM 1747 C THR A 117 43.633 -50.267 -54.955 1.00 72.31 C ATOM 1748 O THR A 117 43.106 -51.130 -55.658 1.00 54.42 O ATOM 1749 CB THR A 117 41.557 -49.561 -53.764 1.00 22.15 C ATOM 1750 OG1 THR A 117 41.868 -50.656 -52.895 1.00 63.31 O ATOM 1751 CG2 THR A 117 40.516 -49.996 -54.783 1.00 74.04 C ATOM 0 H THR A 117 41.987 -48.582 -56.318 1.00 52.33 H new ATOM 0 HA THR A 117 43.437 -48.500 -53.750 1.00 71.20 H new ATOM 0 HB THR A 117 41.147 -48.738 -53.179 1.00 22.15 H new ATOM 0 HG1 THR A 117 41.050 -50.965 -52.453 1.00 63.31 H new ATOM 0 HG21 THR A 117 39.622 -50.343 -54.265 1.00 74.04 H new ATOM 0 HG22 THR A 117 40.260 -49.152 -55.424 1.00 74.04 H new ATOM 0 HG23 THR A 117 40.919 -50.805 -55.392 1.00 74.04 H new ATOM 1759 N LYS A 118 44.906 -50.320 -54.580 1.00 64.42 N ATOM 1760 CA LYS A 118 45.777 -51.419 -54.980 1.00 61.35 C ATOM 1761 C LYS A 118 46.576 -51.941 -53.791 1.00 24.32 C ATOM 1762 O LYS A 118 47.019 -51.169 -52.940 1.00 24.22 O ATOM 1763 CB LYS A 118 46.730 -50.965 -56.089 1.00 12.35 C ATOM 1764 CG LYS A 118 47.611 -52.078 -56.628 1.00 32.20 C ATOM 1765 CD LYS A 118 49.085 -51.737 -56.494 1.00 44.01 C ATOM 1766 CE LYS A 118 49.899 -52.323 -57.638 1.00 22.24 C ATOM 1767 NZ LYS A 118 49.753 -53.803 -57.721 1.00 54.32 N ATOM 0 H LYS A 118 45.358 -49.614 -53.999 1.00 64.42 H new ATOM 0 HA LYS A 118 45.150 -52.227 -55.357 1.00 61.35 H new ATOM 0 HB2 LYS A 118 46.146 -50.546 -56.909 1.00 12.35 H new ATOM 0 HB3 LYS A 118 47.363 -50.165 -55.707 1.00 12.35 H new ATOM 0 HG2 LYS A 118 47.400 -53.003 -56.091 1.00 32.20 H new ATOM 0 HG3 LYS A 118 47.372 -52.257 -57.676 1.00 32.20 H new ATOM 0 HD2 LYS A 118 49.209 -50.654 -56.475 1.00 44.01 H new ATOM 0 HD3 LYS A 118 49.463 -52.117 -55.545 1.00 44.01 H new ATOM 0 HE2 LYS A 118 49.580 -51.873 -58.578 1.00 22.24 H new ATOM 0 HE3 LYS A 118 50.950 -52.069 -57.503 1.00 22.24 H new ATOM 0 HZ1 LYS A 118 50.412 -54.177 -58.434 1.00 54.32 H new ATOM 0 HZ2 LYS A 118 49.968 -54.225 -56.795 1.00 54.32 H new ATOM 0 HZ3 LYS A 118 48.778 -54.041 -57.992 1.00 54.32 H new ATOM 1781 N THR A 119 46.759 -53.257 -53.738 1.00 21.13 N ATOM 1782 CA THR A 119 47.505 -53.882 -52.653 1.00 3.01 C ATOM 1783 C THR A 119 49.008 -53.744 -52.868 1.00 40.42 C ATOM 1784 O THR A 119 49.527 -53.978 -53.959 1.00 64.45 O ATOM 1785 CB THR A 119 47.153 -55.375 -52.516 1.00 61.31 C ATOM 1786 OG1 THR A 119 45.843 -55.620 -53.041 1.00 4.23 O ATOM 1787 CG2 THR A 119 47.212 -55.814 -51.061 1.00 20.03 C ATOM 0 H THR A 119 46.400 -53.911 -54.434 1.00 21.13 H new ATOM 0 HA THR A 119 47.223 -53.364 -51.736 1.00 3.01 H new ATOM 0 HB THR A 119 47.885 -55.951 -53.082 1.00 61.31 H new ATOM 0 HG1 THR A 119 45.504 -56.471 -52.692 1.00 4.23 H new ATOM 0 HG21 THR A 119 46.960 -56.872 -50.990 1.00 20.03 H new ATOM 0 HG22 THR A 119 48.218 -55.654 -50.673 1.00 20.03 H new ATOM 0 HG23 THR A 119 46.501 -55.231 -50.476 1.00 20.03 H new