USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 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 130:sc= 0.464 USER MOD Set 1.2: A 83 SER OG : rot -160:sc= 0.105 USER MOD Set 2.1: A 53 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.3) USER MOD Set 2.2: A 55 SER OG : rot 82:sc= 0.00373 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -105:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.951 (180deg=-3.64!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0936 USER MOD Single : A 48 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.34) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.536 (180deg=-1.1) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -110:sc= -0.56 USER MOD Single : A 76 HIS : no HE2:sc= -3.21 X(o=-3.2,f=-3.7) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 0.029 (180deg=-0.0243) USER MOD Single : A 90 THR OG1 : rot 165:sc= -3.73! USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= -1.79! (180deg=-2.02!) USER MOD Single : A 95 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.6) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -164:sc= -1.31 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=-0.0024) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -136:sc= -2.63 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 41.980 -36.191 -74.618 1.00 23.10 N ATOM 472 CA ALA A 33 40.576 -36.281 -74.997 1.00 53.33 C ATOM 473 C ALA A 33 39.668 -36.144 -73.779 1.00 44.44 C ATOM 474 O ALA A 33 40.112 -36.298 -72.642 1.00 53.23 O ATOM 475 CB ALA A 33 40.305 -37.595 -75.714 1.00 25.41 C ATOM 0 HA ALA A 33 40.356 -35.457 -75.676 1.00 53.33 H new ATOM 0 HB1 ALA A 33 39.252 -37.648 -75.991 1.00 25.41 H new ATOM 0 HB2 ALA A 33 40.920 -37.653 -76.612 1.00 25.41 H new ATOM 0 HB3 ALA A 33 40.549 -38.427 -75.053 1.00 25.41 H new ATOM 481 N GLY A 34 38.395 -35.852 -74.026 1.00 13.22 N ATOM 482 CA GLY A 34 37.445 -35.698 -72.939 1.00 3.20 C ATOM 483 C GLY A 34 37.437 -36.890 -72.003 1.00 73.54 C ATOM 484 O GLY A 34 37.301 -36.735 -70.790 1.00 72.13 O ATOM 0 H GLY A 34 38.004 -35.719 -74.959 1.00 13.22 H new ATOM 0 HA2 GLY A 34 37.687 -34.798 -72.374 1.00 3.20 H new ATOM 0 HA3 GLY A 34 36.446 -35.557 -73.351 1.00 3.20 H new ATOM 488 N ALA A 35 37.581 -38.085 -72.568 1.00 55.24 N ATOM 489 CA ALA A 35 37.589 -39.308 -71.776 1.00 60.44 C ATOM 490 C ALA A 35 38.740 -39.307 -70.776 1.00 50.01 C ATOM 491 O ALA A 35 38.673 -39.965 -69.737 1.00 73.05 O ATOM 492 CB ALA A 35 37.679 -40.525 -72.686 1.00 30.03 C ATOM 0 H ALA A 35 37.694 -38.231 -73.571 1.00 55.24 H new ATOM 0 HA ALA A 35 36.655 -39.355 -71.215 1.00 60.44 H new ATOM 0 HB1 ALA A 35 37.684 -41.432 -72.081 1.00 30.03 H new ATOM 0 HB2 ALA A 35 36.821 -40.541 -73.358 1.00 30.03 H new ATOM 0 HB3 ALA A 35 38.597 -40.474 -73.272 1.00 30.03 H new ATOM 498 N ILE A 36 39.795 -38.565 -71.096 1.00 53.10 N ATOM 499 CA ILE A 36 40.960 -38.478 -70.225 1.00 31.45 C ATOM 500 C ILE A 36 40.553 -38.139 -68.795 1.00 11.13 C ATOM 501 O ILE A 36 41.205 -38.554 -67.836 1.00 43.43 O ATOM 502 CB ILE A 36 41.961 -37.421 -70.726 1.00 51.02 C ATOM 503 CG1 ILE A 36 43.382 -37.787 -70.294 1.00 63.01 C ATOM 504 CG2 ILE A 36 41.581 -36.043 -70.205 1.00 3.00 C ATOM 505 CD1 ILE A 36 44.363 -37.860 -71.443 1.00 62.42 C ATOM 0 H ILE A 36 39.867 -38.015 -71.952 1.00 53.10 H new ATOM 0 HA ILE A 36 41.440 -39.457 -70.242 1.00 31.45 H new ATOM 0 HB ILE A 36 41.928 -37.398 -71.815 1.00 51.02 H new ATOM 0 HG12 ILE A 36 43.735 -37.050 -69.572 1.00 63.01 H new ATOM 0 HG13 ILE A 36 43.361 -38.750 -69.783 1.00 63.01 H new ATOM 0 HG21 ILE A 36 42.298 -35.306 -70.568 1.00 3.00 H new ATOM 0 HG22 ILE A 36 40.583 -35.783 -70.558 1.00 3.00 H new ATOM 0 HG23 ILE A 36 41.589 -36.051 -69.115 1.00 3.00 H new ATOM 0 HD11 ILE A 36 45.350 -38.124 -71.063 1.00 62.42 H new ATOM 0 HD12 ILE A 36 44.034 -38.617 -72.155 1.00 62.42 H new ATOM 0 HD13 ILE A 36 44.413 -36.892 -71.941 1.00 62.42 H new ATOM 517 N LYS A 37 39.469 -37.383 -68.658 1.00 32.14 N ATOM 518 CA LYS A 37 38.971 -36.989 -67.345 1.00 31.40 C ATOM 519 C LYS A 37 38.545 -38.210 -66.536 1.00 22.42 C ATOM 520 O LYS A 37 38.788 -38.284 -65.331 1.00 65.24 O ATOM 521 CB LYS A 37 37.792 -36.025 -67.492 1.00 75.42 C ATOM 522 CG LYS A 37 38.137 -34.585 -67.155 1.00 22.43 C ATOM 523 CD LYS A 37 37.947 -34.298 -65.675 1.00 33.32 C ATOM 524 CE LYS A 37 36.588 -33.673 -65.399 1.00 1.43 C ATOM 525 NZ LYS A 37 36.708 -32.401 -64.633 1.00 23.10 N ATOM 0 H LYS A 37 38.918 -37.031 -69.441 1.00 32.14 H new ATOM 0 HA LYS A 37 39.779 -36.486 -66.813 1.00 31.40 H new ATOM 0 HB2 LYS A 37 37.422 -36.071 -68.516 1.00 75.42 H new ATOM 0 HB3 LYS A 37 36.980 -36.356 -66.845 1.00 75.42 H new ATOM 0 HG2 LYS A 37 39.170 -34.382 -67.436 1.00 22.43 H new ATOM 0 HG3 LYS A 37 37.510 -33.913 -67.740 1.00 22.43 H new ATOM 0 HD2 LYS A 37 38.045 -35.224 -65.108 1.00 33.32 H new ATOM 0 HD3 LYS A 37 38.734 -33.628 -65.329 1.00 33.32 H new ATOM 0 HE2 LYS A 37 36.078 -33.482 -66.343 1.00 1.43 H new ATOM 0 HE3 LYS A 37 35.971 -34.377 -64.840 1.00 1.43 H new ATOM 0 HZ1 LYS A 37 35.761 -32.006 -64.465 1.00 23.10 H new ATOM 0 HZ2 LYS A 37 37.172 -32.587 -63.721 1.00 23.10 H new ATOM 0 HZ3 LYS A 37 37.275 -31.720 -65.177 1.00 23.10 H new ATOM 539 N SER A 38 37.910 -39.167 -67.206 1.00 10.42 N ATOM 540 CA SER A 38 37.449 -40.383 -66.548 1.00 74.51 C ATOM 541 C SER A 38 38.627 -41.200 -66.027 1.00 5.32 C ATOM 542 O SER A 38 38.611 -41.683 -64.895 1.00 23.14 O ATOM 543 CB SER A 38 36.617 -41.228 -67.516 1.00 3.21 C ATOM 544 OG SER A 38 35.285 -40.750 -67.595 1.00 25.32 O ATOM 0 H SER A 38 37.703 -39.123 -68.204 1.00 10.42 H new ATOM 0 HA SER A 38 36.827 -40.094 -65.701 1.00 74.51 H new ATOM 0 HB2 SER A 38 37.073 -41.208 -68.506 1.00 3.21 H new ATOM 0 HB3 SER A 38 36.615 -42.267 -67.187 1.00 3.21 H new ATOM 0 HG SER A 38 34.692 -41.352 -67.099 1.00 25.32 H new ATOM 550 N LYS A 39 39.650 -41.349 -66.861 1.00 64.25 N ATOM 551 CA LYS A 39 40.840 -42.105 -66.487 1.00 73.23 C ATOM 552 C LYS A 39 41.568 -41.434 -65.327 1.00 61.40 C ATOM 553 O LYS A 39 42.160 -42.105 -64.481 1.00 74.41 O ATOM 554 CB LYS A 39 41.782 -42.239 -67.686 1.00 30.33 C ATOM 555 CG LYS A 39 42.965 -41.288 -67.638 1.00 62.05 C ATOM 556 CD LYS A 39 43.754 -41.314 -68.937 1.00 72.11 C ATOM 557 CE LYS A 39 45.145 -40.727 -68.756 1.00 41.11 C ATOM 558 NZ LYS A 39 45.101 -39.384 -68.114 1.00 41.23 N ATOM 0 H LYS A 39 39.679 -40.956 -67.802 1.00 64.25 H new ATOM 0 HA LYS A 39 40.524 -43.098 -66.169 1.00 73.23 H new ATOM 0 HB2 LYS A 39 42.152 -43.263 -67.735 1.00 30.33 H new ATOM 0 HB3 LYS A 39 41.219 -42.059 -68.602 1.00 30.33 H new ATOM 0 HG2 LYS A 39 42.611 -40.275 -67.446 1.00 62.05 H new ATOM 0 HG3 LYS A 39 43.618 -41.560 -66.809 1.00 62.05 H new ATOM 0 HD2 LYS A 39 43.835 -42.341 -69.294 1.00 72.11 H new ATOM 0 HD3 LYS A 39 43.217 -40.752 -69.701 1.00 72.11 H new ATOM 0 HE2 LYS A 39 45.747 -41.401 -68.147 1.00 41.11 H new ATOM 0 HE3 LYS A 39 45.636 -40.650 -69.726 1.00 41.11 H new ATOM 0 HZ1 LYS A 39 45.615 -38.700 -68.705 1.00 41.23 H new ATOM 0 HZ2 LYS A 39 44.112 -39.080 -68.013 1.00 41.23 H new ATOM 0 HZ3 LYS A 39 45.546 -39.433 -67.175 1.00 41.23 H new ATOM 572 N VAL A 40 41.520 -40.106 -65.292 1.00 70.54 N ATOM 573 CA VAL A 40 42.173 -39.345 -64.234 1.00 60.12 C ATOM 574 C VAL A 40 41.588 -39.689 -62.869 1.00 4.12 C ATOM 575 O VAL A 40 42.311 -39.769 -61.876 1.00 60.12 O ATOM 576 CB VAL A 40 42.041 -37.829 -64.470 1.00 53.21 C ATOM 577 CG1 VAL A 40 42.491 -37.056 -63.240 1.00 43.42 C ATOM 578 CG2 VAL A 40 42.838 -37.409 -65.696 1.00 23.23 C ATOM 0 H VAL A 40 41.035 -39.535 -65.985 1.00 70.54 H new ATOM 0 HA VAL A 40 43.228 -39.617 -64.253 1.00 60.12 H new ATOM 0 HB VAL A 40 40.991 -37.597 -64.651 1.00 53.21 H new ATOM 0 HG11 VAL A 40 42.391 -35.987 -63.425 1.00 43.42 H new ATOM 0 HG12 VAL A 40 41.872 -37.336 -62.388 1.00 43.42 H new ATOM 0 HG13 VAL A 40 43.533 -37.291 -63.024 1.00 43.42 H new ATOM 0 HG21 VAL A 40 42.733 -36.335 -65.848 1.00 23.23 H new ATOM 0 HG22 VAL A 40 43.890 -37.654 -65.548 1.00 23.23 H new ATOM 0 HG23 VAL A 40 42.463 -37.937 -66.572 1.00 23.23 H new ATOM 588 N GLU A 41 40.275 -39.891 -62.827 1.00 61.44 N ATOM 589 CA GLU A 41 39.593 -40.226 -61.583 1.00 25.43 C ATOM 590 C GLU A 41 40.186 -41.488 -60.961 1.00 13.35 C ATOM 591 O GLU A 41 40.320 -41.587 -59.741 1.00 72.03 O ATOM 592 CB GLU A 41 38.096 -40.422 -61.832 1.00 5.13 C ATOM 593 CG GLU A 41 37.432 -39.234 -62.507 1.00 34.12 C ATOM 594 CD GLU A 41 37.847 -37.909 -61.898 1.00 64.00 C ATOM 595 OE1 GLU A 41 37.344 -37.573 -60.806 1.00 21.32 O ATOM 596 OE2 GLU A 41 38.677 -37.208 -62.515 1.00 11.13 O ATOM 0 H GLU A 41 39.662 -39.828 -63.640 1.00 61.44 H new ATOM 0 HA GLU A 41 39.732 -39.398 -60.888 1.00 25.43 H new ATOM 0 HB2 GLU A 41 37.952 -41.308 -62.450 1.00 5.13 H new ATOM 0 HB3 GLU A 41 37.600 -40.613 -60.881 1.00 5.13 H new ATOM 0 HG2 GLU A 41 37.683 -39.237 -63.568 1.00 34.12 H new ATOM 0 HG3 GLU A 41 36.349 -39.339 -62.436 1.00 34.12 H new ATOM 603 N ALA A 42 40.538 -42.449 -61.808 1.00 34.21 N ATOM 604 CA ALA A 42 41.117 -43.703 -61.343 1.00 35.35 C ATOM 605 C ALA A 42 42.589 -43.529 -60.986 1.00 32.34 C ATOM 606 O ALA A 42 43.161 -44.340 -60.258 1.00 33.14 O ATOM 607 CB ALA A 42 40.952 -44.785 -62.400 1.00 1.01 C ATOM 0 H ALA A 42 40.432 -42.383 -62.820 1.00 34.21 H new ATOM 0 HA ALA A 42 40.585 -44.008 -60.442 1.00 35.35 H new ATOM 0 HB1 ALA A 42 41.389 -45.716 -62.039 1.00 1.01 H new ATOM 0 HB2 ALA A 42 39.892 -44.937 -62.603 1.00 1.01 H new ATOM 0 HB3 ALA A 42 41.457 -44.479 -63.316 1.00 1.01 H new ATOM 613 N ALA A 43 43.197 -42.467 -61.503 1.00 71.14 N ATOM 614 CA ALA A 43 44.602 -42.187 -61.238 1.00 4.41 C ATOM 615 C ALA A 43 44.865 -42.067 -59.741 1.00 21.25 C ATOM 616 O ALA A 43 45.897 -42.520 -59.243 1.00 12.23 O ATOM 617 CB ALA A 43 45.031 -40.914 -61.954 1.00 60.30 C ATOM 0 H ALA A 43 42.738 -41.786 -62.108 1.00 71.14 H new ATOM 0 HA ALA A 43 45.191 -43.022 -61.619 1.00 4.41 H new ATOM 0 HB1 ALA A 43 46.083 -40.717 -61.747 1.00 60.30 H new ATOM 0 HB2 ALA A 43 44.889 -41.035 -63.028 1.00 60.30 H new ATOM 0 HB3 ALA A 43 44.429 -40.077 -61.600 1.00 60.30 H new ATOM 623 N LEU A 44 43.926 -41.455 -59.027 1.00 45.01 N ATOM 624 CA LEU A 44 44.057 -41.275 -57.585 1.00 72.33 C ATOM 625 C LEU A 44 44.165 -42.622 -56.876 1.00 54.53 C ATOM 626 O LEU A 44 44.904 -42.764 -55.903 1.00 23.22 O ATOM 627 CB LEU A 44 42.862 -40.493 -57.039 1.00 15.51 C ATOM 628 CG LEU A 44 42.983 -38.969 -57.076 1.00 43.23 C ATOM 629 CD1 LEU A 44 43.464 -38.505 -58.443 1.00 31.14 C ATOM 630 CD2 LEU A 44 41.652 -38.319 -56.728 1.00 42.42 C ATOM 0 H LEU A 44 43.066 -41.075 -59.423 1.00 45.01 H new ATOM 0 HA LEU A 44 44.970 -40.711 -57.395 1.00 72.33 H new ATOM 0 HB2 LEU A 44 41.976 -40.781 -57.605 1.00 15.51 H new ATOM 0 HB3 LEU A 44 42.694 -40.799 -56.006 1.00 15.51 H new ATOM 0 HG LEU A 44 43.719 -38.664 -56.332 1.00 43.23 H new ATOM 0 HD11 LEU A 44 43.544 -37.418 -58.451 1.00 31.14 H new ATOM 0 HD12 LEU A 44 44.440 -38.942 -58.653 1.00 31.14 H new ATOM 0 HD13 LEU A 44 42.753 -38.822 -59.206 1.00 31.14 H new ATOM 0 HD21 LEU A 44 41.757 -37.235 -56.759 1.00 42.42 H new ATOM 0 HD22 LEU A 44 40.895 -38.631 -57.448 1.00 42.42 H new ATOM 0 HD23 LEU A 44 41.348 -38.625 -55.727 1.00 42.42 H new ATOM 642 N SER A 45 43.423 -43.607 -57.372 1.00 42.15 N ATOM 643 CA SER A 45 43.434 -44.942 -56.786 1.00 1.24 C ATOM 644 C SER A 45 44.734 -45.670 -57.115 1.00 51.53 C ATOM 645 O SER A 45 45.507 -45.253 -57.979 1.00 33.25 O ATOM 646 CB SER A 45 42.240 -45.754 -57.290 1.00 54.43 C ATOM 647 OG SER A 45 41.256 -45.896 -56.280 1.00 42.20 O ATOM 0 H SER A 45 42.807 -43.506 -58.178 1.00 42.15 H new ATOM 0 HA SER A 45 43.361 -44.836 -55.704 1.00 1.24 H new ATOM 0 HB2 SER A 45 41.804 -45.263 -58.160 1.00 54.43 H new ATOM 0 HB3 SER A 45 42.577 -46.738 -57.615 1.00 54.43 H new ATOM 0 HG SER A 45 40.503 -46.417 -56.628 1.00 42.20 H new ATOM 653 N PRO A 46 44.982 -46.784 -56.411 1.00 51.03 N ATOM 654 CA PRO A 46 46.187 -47.595 -56.611 1.00 11.41 C ATOM 655 C PRO A 46 46.179 -48.324 -57.950 1.00 24.43 C ATOM 656 O PRO A 46 45.957 -49.534 -58.008 1.00 73.25 O ATOM 657 CB PRO A 46 46.136 -48.597 -55.455 1.00 55.11 C ATOM 658 CG PRO A 46 44.691 -48.699 -55.106 1.00 52.01 C ATOM 659 CD PRO A 46 44.105 -47.339 -55.367 1.00 12.12 C ATOM 0 HA PRO A 46 47.091 -46.986 -56.625 1.00 11.41 H new ATOM 0 HB2 PRO A 46 46.541 -49.565 -55.752 1.00 55.11 H new ATOM 0 HB3 PRO A 46 46.725 -48.252 -54.605 1.00 55.11 H new ATOM 0 HG2 PRO A 46 44.196 -49.460 -55.710 1.00 52.01 H new ATOM 0 HG3 PRO A 46 44.561 -48.986 -54.063 1.00 52.01 H new ATOM 0 HD2 PRO A 46 43.071 -47.405 -55.705 1.00 12.12 H new ATOM 0 HD3 PRO A 46 44.108 -46.721 -54.469 1.00 12.12 H new ATOM 667 N THR A 47 46.425 -47.582 -59.025 1.00 12.22 N ATOM 668 CA THR A 47 46.446 -48.158 -60.363 1.00 73.23 C ATOM 669 C THR A 47 46.920 -47.140 -61.393 1.00 43.52 C ATOM 670 O THR A 47 47.127 -45.968 -61.073 1.00 70.44 O ATOM 671 CB THR A 47 45.054 -48.676 -60.774 1.00 23.14 C ATOM 672 OG1 THR A 47 45.108 -49.234 -62.091 1.00 42.13 O ATOM 673 CG2 THR A 47 44.026 -47.555 -60.734 1.00 23.54 C ATOM 0 H THR A 47 46.613 -46.580 -58.995 1.00 12.22 H new ATOM 0 HA THR A 47 47.144 -48.995 -60.335 1.00 73.23 H new ATOM 0 HB THR A 47 44.754 -49.448 -60.065 1.00 23.14 H new ATOM 0 HG1 THR A 47 44.691 -50.121 -62.088 1.00 42.13 H new ATOM 0 HG21 THR A 47 43.051 -47.944 -61.028 1.00 23.54 H new ATOM 0 HG22 THR A 47 43.966 -47.152 -59.723 1.00 23.54 H new ATOM 0 HG23 THR A 47 44.323 -46.764 -61.423 1.00 23.54 H new ATOM 681 N HIS A 48 47.091 -47.592 -62.631 1.00 70.14 N ATOM 682 CA HIS A 48 47.540 -46.719 -63.710 1.00 4.44 C ATOM 683 C HIS A 48 46.604 -46.813 -64.911 1.00 4.52 C ATOM 684 O HIS A 48 46.346 -47.901 -65.426 1.00 43.50 O ATOM 685 CB HIS A 48 48.965 -47.082 -64.129 1.00 21.23 C ATOM 686 CG HIS A 48 49.455 -46.312 -65.316 1.00 41.00 C ATOM 687 ND1 HIS A 48 49.136 -44.989 -65.539 1.00 75.32 N ATOM 688 CD2 HIS A 48 50.248 -46.685 -66.348 1.00 33.32 C ATOM 689 CE1 HIS A 48 49.709 -44.583 -66.658 1.00 12.21 C ATOM 690 NE2 HIS A 48 50.390 -45.593 -67.168 1.00 20.01 N ATOM 0 H HIS A 48 46.925 -48.558 -62.912 1.00 70.14 H new ATOM 0 HA HIS A 48 47.528 -45.693 -63.342 1.00 4.44 H new ATOM 0 HB2 HIS A 48 49.638 -46.906 -63.289 1.00 21.23 H new ATOM 0 HB3 HIS A 48 49.008 -48.148 -64.354 1.00 21.23 H new ATOM 0 HD2 HIS A 48 50.687 -47.660 -66.498 1.00 33.32 H new ATOM 0 HE1 HIS A 48 49.633 -43.593 -67.083 1.00 12.21 H new ATOM 0 HE2 HIS A 48 50.933 -45.566 -68.031 1.00 20.01 H new ATOM 698 N PHE A 49 46.098 -45.666 -65.352 1.00 3.55 N ATOM 699 CA PHE A 49 45.189 -45.619 -66.491 1.00 4.41 C ATOM 700 C PHE A 49 45.817 -44.860 -67.657 1.00 23.24 C ATOM 701 O PHE A 49 46.380 -43.780 -67.479 1.00 13.53 O ATOM 702 CB PHE A 49 43.869 -44.958 -66.090 1.00 52.01 C ATOM 703 CG PHE A 49 42.885 -45.911 -65.474 1.00 13.22 C ATOM 704 CD1 PHE A 49 43.158 -46.520 -64.260 1.00 35.41 C ATOM 705 CD2 PHE A 49 41.687 -46.197 -66.109 1.00 31.11 C ATOM 706 CE1 PHE A 49 42.254 -47.397 -63.690 1.00 31.41 C ATOM 707 CE2 PHE A 49 40.779 -47.073 -65.543 1.00 44.25 C ATOM 708 CZ PHE A 49 41.064 -47.675 -64.333 1.00 53.32 C ATOM 0 H PHE A 49 46.302 -44.757 -64.938 1.00 3.55 H new ATOM 0 HA PHE A 49 44.993 -46.643 -66.810 1.00 4.41 H new ATOM 0 HB2 PHE A 49 44.074 -44.153 -65.384 1.00 52.01 H new ATOM 0 HB3 PHE A 49 43.418 -44.501 -66.971 1.00 52.01 H new ATOM 0 HD1 PHE A 49 44.088 -46.307 -63.753 1.00 35.41 H new ATOM 0 HD2 PHE A 49 41.460 -45.731 -67.056 1.00 31.11 H new ATOM 0 HE1 PHE A 49 42.478 -47.864 -62.743 1.00 31.41 H new ATOM 0 HE2 PHE A 49 39.848 -47.286 -66.047 1.00 44.25 H new ATOM 0 HZ PHE A 49 40.358 -48.362 -63.891 1.00 53.32 H new ATOM 718 N LYS A 50 45.718 -45.435 -68.851 1.00 14.44 N ATOM 719 CA LYS A 50 46.274 -44.815 -70.047 1.00 40.33 C ATOM 720 C LYS A 50 45.202 -44.641 -71.118 1.00 42.45 C ATOM 721 O LYS A 50 44.473 -45.580 -71.440 1.00 10.10 O ATOM 722 CB LYS A 50 47.426 -45.660 -70.596 1.00 12.11 C ATOM 723 CG LYS A 50 46.967 -46.880 -71.375 1.00 62.24 C ATOM 724 CD LYS A 50 46.858 -46.584 -72.862 1.00 11.43 C ATOM 725 CE LYS A 50 48.194 -46.765 -73.566 1.00 12.00 C ATOM 726 NZ LYS A 50 48.118 -47.790 -74.643 1.00 61.15 N ATOM 0 H LYS A 50 45.257 -46.330 -69.016 1.00 14.44 H new ATOM 0 HA LYS A 50 46.652 -43.830 -69.773 1.00 40.33 H new ATOM 0 HB2 LYS A 50 48.046 -45.038 -71.242 1.00 12.11 H new ATOM 0 HB3 LYS A 50 48.055 -45.984 -69.767 1.00 12.11 H new ATOM 0 HG2 LYS A 50 47.669 -47.699 -71.217 1.00 62.24 H new ATOM 0 HG3 LYS A 50 46.000 -47.211 -70.997 1.00 62.24 H new ATOM 0 HD2 LYS A 50 46.116 -47.244 -73.312 1.00 11.43 H new ATOM 0 HD3 LYS A 50 46.505 -45.563 -73.006 1.00 11.43 H new ATOM 0 HE2 LYS A 50 48.512 -45.813 -73.992 1.00 12.00 H new ATOM 0 HE3 LYS A 50 48.951 -47.058 -72.839 1.00 12.00 H new ATOM 0 HZ1 LYS A 50 49.078 -48.106 -74.889 1.00 61.15 H new ATOM 0 HZ2 LYS A 50 47.560 -48.602 -74.310 1.00 61.15 H new ATOM 0 HZ3 LYS A 50 47.663 -47.378 -75.483 1.00 61.15 H new ATOM 740 N LEU A 51 45.113 -43.435 -71.669 1.00 14.23 N ATOM 741 CA LEU A 51 44.130 -43.138 -72.706 1.00 24.13 C ATOM 742 C LEU A 51 44.793 -42.477 -73.910 1.00 60.32 C ATOM 743 O LEU A 51 45.429 -41.430 -73.784 1.00 70.42 O ATOM 744 CB LEU A 51 43.032 -42.229 -72.151 1.00 5.03 C ATOM 745 CG LEU A 51 42.014 -41.709 -73.166 1.00 62.43 C ATOM 746 CD1 LEU A 51 40.627 -41.646 -72.546 1.00 51.24 C ATOM 747 CD2 LEU A 51 42.431 -40.342 -73.687 1.00 52.33 C ATOM 0 H LEU A 51 45.709 -42.647 -71.415 1.00 14.23 H new ATOM 0 HA LEU A 51 43.684 -44.078 -73.030 1.00 24.13 H new ATOM 0 HB2 LEU A 51 42.495 -42.774 -71.375 1.00 5.03 H new ATOM 0 HB3 LEU A 51 43.505 -41.373 -71.670 1.00 5.03 H new ATOM 0 HG LEU A 51 41.982 -42.401 -74.007 1.00 62.43 H new ATOM 0 HD11 LEU A 51 39.916 -41.274 -73.283 1.00 51.24 H new ATOM 0 HD12 LEU A 51 40.327 -42.643 -72.223 1.00 51.24 H new ATOM 0 HD13 LEU A 51 40.643 -40.976 -71.686 1.00 51.24 H new ATOM 0 HD21 LEU A 51 41.695 -39.987 -74.408 1.00 52.33 H new ATOM 0 HD22 LEU A 51 42.493 -39.639 -72.856 1.00 52.33 H new ATOM 0 HD23 LEU A 51 43.405 -40.418 -74.170 1.00 52.33 H new ATOM 759 N ILE A 52 44.638 -43.094 -75.077 1.00 32.33 N ATOM 760 CA ILE A 52 45.218 -42.564 -76.304 1.00 43.10 C ATOM 761 C ILE A 52 44.155 -42.386 -77.383 1.00 23.12 C ATOM 762 O ILE A 52 43.543 -43.355 -77.830 1.00 54.51 O ATOM 763 CB ILE A 52 46.332 -43.482 -76.843 1.00 13.54 C ATOM 764 CG1 ILE A 52 45.777 -44.878 -77.132 1.00 14.31 C ATOM 765 CG2 ILE A 52 47.482 -43.558 -75.849 1.00 74.14 C ATOM 766 CD1 ILE A 52 45.742 -45.221 -78.605 1.00 12.13 C ATOM 0 H ILE A 52 44.115 -43.962 -75.198 1.00 32.33 H new ATOM 0 HA ILE A 52 45.647 -41.593 -76.056 1.00 43.10 H new ATOM 0 HB ILE A 52 46.710 -43.062 -77.775 1.00 13.54 H new ATOM 0 HG12 ILE A 52 46.384 -45.617 -76.609 1.00 14.31 H new ATOM 0 HG13 ILE A 52 44.768 -44.950 -76.726 1.00 14.31 H new ATOM 0 HG21 ILE A 52 48.261 -44.210 -76.243 1.00 74.14 H new ATOM 0 HG22 ILE A 52 47.891 -42.560 -75.688 1.00 74.14 H new ATOM 0 HG23 ILE A 52 47.119 -43.958 -74.902 1.00 74.14 H new ATOM 0 HD11 ILE A 52 45.337 -46.225 -78.735 1.00 12.13 H new ATOM 0 HD12 ILE A 52 45.111 -44.504 -79.131 1.00 12.13 H new ATOM 0 HD13 ILE A 52 46.752 -45.181 -79.012 1.00 12.13 H new ATOM 778 N ASN A 53 43.943 -41.141 -77.798 1.00 23.34 N ATOM 779 CA ASN A 53 42.955 -40.836 -78.826 1.00 31.14 C ATOM 780 C ASN A 53 43.634 -40.425 -80.128 1.00 42.33 C ATOM 781 O ASN A 53 44.414 -39.473 -80.160 1.00 4.12 O ATOM 782 CB ASN A 53 42.021 -39.721 -78.350 1.00 23.10 C ATOM 783 CG ASN A 53 41.321 -39.024 -79.500 1.00 15.10 C ATOM 784 OD1 ASN A 53 41.356 -37.798 -79.612 1.00 32.44 O ATOM 785 ND2 ASN A 53 40.679 -39.804 -80.362 1.00 32.11 N ATOM 0 H ASN A 53 44.442 -40.328 -77.438 1.00 23.34 H new ATOM 0 HA ASN A 53 42.370 -41.737 -79.011 1.00 31.14 H new ATOM 0 HB2 ASN A 53 41.275 -40.139 -77.674 1.00 23.10 H new ATOM 0 HB3 ASN A 53 42.594 -38.990 -77.780 1.00 23.10 H new ATOM 0 HD21 ASN A 53 40.189 -39.392 -81.156 1.00 32.11 H new ATOM 0 HD22 ASN A 53 40.676 -40.815 -80.230 1.00 32.11 H new ATOM 792 N ASP A 54 43.332 -41.148 -81.201 1.00 13.13 N ATOM 793 CA ASP A 54 43.911 -40.858 -82.507 1.00 43.41 C ATOM 794 C ASP A 54 42.946 -40.041 -83.361 1.00 0.15 C ATOM 795 O ASP A 54 43.364 -39.200 -84.156 1.00 64.35 O ATOM 796 CB ASP A 54 44.275 -42.157 -83.228 1.00 14.14 C ATOM 797 CG ASP A 54 45.714 -42.171 -83.705 1.00 35.32 C ATOM 798 OD1 ASP A 54 45.970 -41.696 -84.831 1.00 23.00 O ATOM 799 OD2 ASP A 54 46.583 -42.657 -82.952 1.00 20.22 O ATOM 0 H ASP A 54 42.689 -41.940 -81.192 1.00 13.13 H new ATOM 0 HA ASP A 54 44.817 -40.271 -82.352 1.00 43.41 H new ATOM 0 HB2 ASP A 54 44.109 -43.000 -82.557 1.00 14.14 H new ATOM 0 HB3 ASP A 54 43.611 -42.294 -84.082 1.00 14.14 H new ATOM 804 N SER A 55 41.653 -40.295 -83.190 1.00 34.04 N ATOM 805 CA SER A 55 40.628 -39.587 -83.948 1.00 12.03 C ATOM 806 C SER A 55 40.892 -39.690 -85.447 1.00 21.53 C ATOM 807 O SER A 55 41.821 -40.374 -85.879 1.00 53.14 O ATOM 808 CB SER A 55 40.577 -38.117 -83.528 1.00 1.24 C ATOM 809 OG SER A 55 39.275 -37.752 -83.104 1.00 51.13 O ATOM 0 H SER A 55 41.290 -40.986 -82.533 1.00 34.04 H new ATOM 0 HA SER A 55 39.666 -40.053 -83.733 1.00 12.03 H new ATOM 0 HB2 SER A 55 41.288 -37.941 -82.721 1.00 1.24 H new ATOM 0 HB3 SER A 55 40.881 -37.486 -84.363 1.00 1.24 H new ATOM 0 HG SER A 55 39.146 -38.025 -82.172 1.00 51.13 H new ATOM 815 N HIS A 56 40.069 -39.007 -86.235 1.00 54.11 N ATOM 816 CA HIS A 56 40.213 -39.021 -87.686 1.00 54.45 C ATOM 817 C HIS A 56 39.711 -37.714 -88.295 1.00 21.34 C ATOM 818 O HIS A 56 38.821 -37.064 -87.747 1.00 53.41 O ATOM 819 CB HIS A 56 39.448 -40.202 -88.285 1.00 2.11 C ATOM 820 CG HIS A 56 39.520 -40.266 -89.780 1.00 34.25 C ATOM 821 ND1 HIS A 56 38.402 -40.265 -90.587 1.00 50.11 N ATOM 822 CD2 HIS A 56 40.584 -40.332 -90.613 1.00 21.41 C ATOM 823 CE1 HIS A 56 38.776 -40.329 -91.853 1.00 32.25 C ATOM 824 NE2 HIS A 56 40.095 -40.371 -91.896 1.00 3.34 N ATOM 0 H HIS A 56 39.295 -38.437 -85.893 1.00 54.11 H new ATOM 0 HA HIS A 56 41.272 -39.128 -87.920 1.00 54.45 H new ATOM 0 HB2 HIS A 56 39.844 -41.129 -87.870 1.00 2.11 H new ATOM 0 HB3 HIS A 56 38.403 -40.139 -87.982 1.00 2.11 H new ATOM 0 HD2 HIS A 56 41.624 -40.351 -90.323 1.00 21.41 H new ATOM 0 HE1 HIS A 56 38.115 -40.344 -92.707 1.00 32.25 H new ATOM 0 HE2 HIS A 56 40.659 -40.424 -92.744 1.00 3.34 H new ATOM 1069 N THR A 75 39.286 -48.558 -84.960 1.00 11.52 N ATOM 1070 CA THR A 75 39.318 -47.853 -83.685 1.00 2.15 C ATOM 1071 C THR A 75 40.513 -46.909 -83.608 1.00 21.52 C ATOM 1072 O THR A 75 41.600 -47.227 -84.092 1.00 72.03 O ATOM 1073 CB THR A 75 39.378 -48.836 -82.501 1.00 22.44 C ATOM 1074 OG1 THR A 75 40.742 -49.114 -82.163 1.00 72.42 O ATOM 1075 CG2 THR A 75 38.659 -50.134 -82.838 1.00 44.10 C ATOM 0 HA THR A 75 38.397 -47.274 -83.621 1.00 2.15 H new ATOM 0 HB THR A 75 38.880 -48.374 -81.649 1.00 22.44 H new ATOM 0 HG1 THR A 75 40.958 -50.038 -82.408 1.00 72.42 H new ATOM 0 HG21 THR A 75 38.715 -50.812 -81.987 1.00 44.10 H new ATOM 0 HG22 THR A 75 37.614 -49.923 -83.066 1.00 44.10 H new ATOM 0 HG23 THR A 75 39.132 -50.598 -83.703 1.00 44.10 H new ATOM 1083 N HIS A 76 40.306 -45.748 -82.995 1.00 51.03 N ATOM 1084 CA HIS A 76 41.368 -44.758 -82.854 1.00 31.10 C ATOM 1085 C HIS A 76 41.614 -44.431 -81.384 1.00 70.51 C ATOM 1086 O HIS A 76 42.698 -43.983 -81.010 1.00 60.23 O ATOM 1087 CB HIS A 76 41.011 -43.483 -83.619 1.00 33.31 C ATOM 1088 CG HIS A 76 40.929 -43.677 -85.102 1.00 22.43 C ATOM 1089 ND1 HIS A 76 41.426 -44.792 -85.743 1.00 65.22 N ATOM 1090 CD2 HIS A 76 40.403 -42.892 -86.070 1.00 14.41 C ATOM 1091 CE1 HIS A 76 41.211 -44.683 -87.042 1.00 12.20 C ATOM 1092 NE2 HIS A 76 40.590 -43.539 -87.266 1.00 44.45 N ATOM 0 H HIS A 76 39.413 -45.470 -82.588 1.00 51.03 H new ATOM 0 HA HIS A 76 42.282 -45.180 -83.272 1.00 31.10 H new ATOM 0 HB2 HIS A 76 40.054 -43.108 -83.257 1.00 33.31 H new ATOM 0 HB3 HIS A 76 41.756 -42.718 -83.402 1.00 33.31 H new ATOM 0 HD1 HIS A 76 41.888 -45.578 -85.286 1.00 65.22 H new ATOM 0 HD2 HIS A 76 39.925 -41.934 -85.928 1.00 14.41 H new ATOM 0 HE1 HIS A 76 41.495 -45.406 -87.793 1.00 12.20 H new ATOM 1100 N PHE A 77 40.601 -44.658 -80.555 1.00 33.42 N ATOM 1101 CA PHE A 77 40.707 -44.387 -79.126 1.00 55.41 C ATOM 1102 C PHE A 77 40.680 -45.683 -78.322 1.00 74.33 C ATOM 1103 O PHE A 77 39.864 -46.569 -78.580 1.00 1.02 O ATOM 1104 CB PHE A 77 39.568 -43.470 -78.674 1.00 41.51 C ATOM 1105 CG PHE A 77 39.153 -43.688 -77.247 1.00 74.34 C ATOM 1106 CD1 PHE A 77 40.065 -43.540 -76.216 1.00 2.34 C ATOM 1107 CD2 PHE A 77 37.849 -44.043 -76.938 1.00 63.13 C ATOM 1108 CE1 PHE A 77 39.686 -43.740 -74.902 1.00 0.15 C ATOM 1109 CE2 PHE A 77 37.464 -44.244 -75.626 1.00 63.12 C ATOM 1110 CZ PHE A 77 38.384 -44.094 -74.607 1.00 10.43 C ATOM 0 H PHE A 77 39.697 -45.029 -80.848 1.00 33.42 H new ATOM 0 HA PHE A 77 41.660 -43.889 -78.946 1.00 55.41 H new ATOM 0 HB2 PHE A 77 39.876 -42.432 -78.800 1.00 41.51 H new ATOM 0 HB3 PHE A 77 38.706 -43.627 -79.323 1.00 41.51 H new ATOM 0 HD1 PHE A 77 41.085 -43.265 -76.441 1.00 2.34 H new ATOM 0 HD2 PHE A 77 37.126 -44.164 -77.731 1.00 63.13 H new ATOM 0 HE1 PHE A 77 40.407 -43.620 -74.107 1.00 0.15 H new ATOM 0 HE2 PHE A 77 36.445 -44.518 -75.398 1.00 63.12 H new ATOM 0 HZ PHE A 77 38.086 -44.253 -73.581 1.00 10.43 H new ATOM 1120 N ARG A 78 41.578 -45.787 -77.348 1.00 74.31 N ATOM 1121 CA ARG A 78 41.659 -46.976 -76.507 1.00 53.35 C ATOM 1122 C ARG A 78 41.894 -46.595 -75.049 1.00 10.23 C ATOM 1123 O ARG A 78 42.573 -45.610 -74.755 1.00 21.13 O ATOM 1124 CB ARG A 78 42.781 -47.894 -76.993 1.00 63.43 C ATOM 1125 CG ARG A 78 44.162 -47.473 -76.518 1.00 41.51 C ATOM 1126 CD ARG A 78 44.811 -48.551 -75.664 1.00 51.42 C ATOM 1127 NE ARG A 78 45.132 -49.745 -76.441 1.00 51.22 N ATOM 1128 CZ ARG A 78 46.103 -49.794 -77.347 1.00 12.45 C ATOM 1129 NH1 ARG A 78 46.844 -48.721 -77.587 1.00 51.10 N ATOM 1130 NH2 ARG A 78 46.334 -50.917 -78.013 1.00 62.41 N ATOM 0 H ARG A 78 42.260 -45.063 -77.121 1.00 74.31 H new ATOM 0 HA ARG A 78 40.709 -47.506 -76.577 1.00 53.35 H new ATOM 0 HB2 ARG A 78 42.582 -48.909 -76.650 1.00 63.43 H new ATOM 0 HB3 ARG A 78 42.773 -47.918 -78.083 1.00 63.43 H new ATOM 0 HG2 ARG A 78 44.795 -47.260 -77.380 1.00 41.51 H new ATOM 0 HG3 ARG A 78 44.084 -46.550 -75.943 1.00 41.51 H new ATOM 0 HD2 ARG A 78 45.721 -48.157 -75.213 1.00 51.42 H new ATOM 0 HD3 ARG A 78 44.141 -48.819 -74.847 1.00 51.42 H new ATOM 0 HE ARG A 78 44.581 -50.588 -76.279 1.00 51.22 H new ATOM 0 HH11 ARG A 78 46.669 -47.856 -77.076 1.00 51.10 H new ATOM 0 HH12 ARG A 78 47.589 -48.761 -78.283 1.00 51.10 H new ATOM 0 HH21 ARG A 78 45.766 -51.744 -77.830 1.00 62.41 H new ATOM 0 HH22 ARG A 78 47.080 -50.954 -78.708 1.00 62.41 H new ATOM 1144 N LEU A 79 41.328 -47.380 -74.139 1.00 63.40 N ATOM 1145 CA LEU A 79 41.476 -47.126 -72.710 1.00 53.32 C ATOM 1146 C LEU A 79 41.999 -48.363 -71.988 1.00 2.12 C ATOM 1147 O LEU A 79 41.323 -49.389 -71.926 1.00 63.21 O ATOM 1148 CB LEU A 79 40.136 -46.698 -72.108 1.00 4.34 C ATOM 1149 CG LEU A 79 40.149 -45.401 -71.298 1.00 13.23 C ATOM 1150 CD1 LEU A 79 38.844 -45.236 -70.534 1.00 30.11 C ATOM 1151 CD2 LEU A 79 41.334 -45.379 -70.343 1.00 71.14 C ATOM 0 H LEU A 79 40.762 -48.198 -74.365 1.00 63.40 H new ATOM 0 HA LEU A 79 42.200 -46.321 -72.582 1.00 53.32 H new ATOM 0 HB2 LEU A 79 39.414 -46.590 -72.918 1.00 4.34 H new ATOM 0 HB3 LEU A 79 39.776 -47.501 -71.465 1.00 4.34 H new ATOM 0 HG LEU A 79 40.250 -44.565 -71.990 1.00 13.23 H new ATOM 0 HD11 LEU A 79 38.871 -44.308 -69.963 1.00 30.11 H new ATOM 0 HD12 LEU A 79 38.012 -45.205 -71.237 1.00 30.11 H new ATOM 0 HD13 LEU A 79 38.712 -46.077 -69.853 1.00 30.11 H new ATOM 0 HD21 LEU A 79 41.327 -44.449 -69.775 1.00 71.14 H new ATOM 0 HD22 LEU A 79 41.264 -46.223 -69.657 1.00 71.14 H new ATOM 0 HD23 LEU A 79 42.261 -45.449 -70.912 1.00 71.14 H new ATOM 1163 N GLU A 80 43.206 -48.256 -71.441 1.00 63.32 N ATOM 1164 CA GLU A 80 43.819 -49.367 -70.722 1.00 1.24 C ATOM 1165 C GLU A 80 44.110 -48.983 -69.274 1.00 11.43 C ATOM 1166 O GLU A 80 44.377 -47.820 -68.970 1.00 10.12 O ATOM 1167 CB GLU A 80 45.112 -49.801 -71.415 1.00 30.40 C ATOM 1168 CG GLU A 80 44.914 -50.916 -72.429 1.00 10.41 C ATOM 1169 CD GLU A 80 46.034 -51.938 -72.399 1.00 13.34 C ATOM 1170 OE1 GLU A 80 47.211 -51.527 -72.340 1.00 44.15 O ATOM 1171 OE2 GLU A 80 45.731 -53.149 -72.433 1.00 24.12 O ATOM 0 H GLU A 80 43.778 -47.412 -71.482 1.00 63.32 H new ATOM 0 HA GLU A 80 43.116 -50.200 -70.725 1.00 1.24 H new ATOM 0 HB2 GLU A 80 45.553 -48.939 -71.916 1.00 30.40 H new ATOM 0 HB3 GLU A 80 45.826 -50.130 -70.660 1.00 30.40 H new ATOM 0 HG2 GLU A 80 43.966 -51.416 -72.233 1.00 10.41 H new ATOM 0 HG3 GLU A 80 44.847 -50.486 -73.428 1.00 10.41 H new ATOM 1178 N VAL A 81 44.055 -49.968 -68.384 1.00 24.44 N ATOM 1179 CA VAL A 81 44.313 -49.735 -66.968 1.00 21.03 C ATOM 1180 C VAL A 81 45.049 -50.914 -66.342 1.00 24.05 C ATOM 1181 O VAL A 81 44.642 -52.066 -66.493 1.00 24.52 O ATOM 1182 CB VAL A 81 43.005 -49.490 -66.192 1.00 62.20 C ATOM 1183 CG1 VAL A 81 41.800 -49.820 -67.059 1.00 70.05 C ATOM 1184 CG2 VAL A 81 42.987 -50.306 -64.908 1.00 2.41 C ATOM 0 H VAL A 81 43.834 -50.936 -68.618 1.00 24.44 H new ATOM 0 HA VAL A 81 44.938 -48.844 -66.903 1.00 21.03 H new ATOM 0 HB VAL A 81 42.953 -48.434 -65.926 1.00 62.20 H new ATOM 0 HG11 VAL A 81 40.885 -49.641 -66.494 1.00 70.05 H new ATOM 0 HG12 VAL A 81 41.807 -49.189 -67.948 1.00 70.05 H new ATOM 0 HG13 VAL A 81 41.843 -50.867 -67.358 1.00 70.05 H new ATOM 0 HG21 VAL A 81 42.056 -50.121 -64.372 1.00 2.41 H new ATOM 0 HG22 VAL A 81 43.062 -51.366 -65.150 1.00 2.41 H new ATOM 0 HG23 VAL A 81 43.830 -50.016 -64.281 1.00 2.41 H new ATOM 1194 N THR A 82 46.137 -50.619 -65.636 1.00 51.42 N ATOM 1195 CA THR A 82 46.931 -51.654 -64.987 1.00 4.41 C ATOM 1196 C THR A 82 46.952 -51.463 -63.475 1.00 25.03 C ATOM 1197 O THR A 82 47.398 -50.430 -62.976 1.00 4.22 O ATOM 1198 CB THR A 82 48.379 -51.663 -65.512 1.00 44.40 C ATOM 1199 OG1 THR A 82 48.388 -51.911 -66.922 1.00 54.43 O ATOM 1200 CG2 THR A 82 49.206 -52.723 -64.801 1.00 5.13 C ATOM 0 H THR A 82 46.488 -49.671 -65.500 1.00 51.42 H new ATOM 0 HA THR A 82 46.461 -52.608 -65.224 1.00 4.41 H new ATOM 0 HB THR A 82 48.820 -50.686 -65.313 1.00 44.40 H new ATOM 0 HG1 THR A 82 49.312 -51.913 -67.248 1.00 54.43 H new ATOM 0 HG21 THR A 82 50.225 -52.710 -65.189 1.00 5.13 H new ATOM 0 HG22 THR A 82 49.222 -52.515 -63.731 1.00 5.13 H new ATOM 0 HG23 THR A 82 48.765 -53.705 -64.973 1.00 5.13 H new ATOM 1208 N SER A 83 46.468 -52.466 -62.750 1.00 21.24 N ATOM 1209 CA SER A 83 46.429 -52.407 -61.293 1.00 74.31 C ATOM 1210 C SER A 83 47.154 -53.602 -60.681 1.00 41.22 C ATOM 1211 O SER A 83 46.636 -54.718 -60.671 1.00 72.54 O ATOM 1212 CB SER A 83 44.980 -52.370 -60.802 1.00 41.32 C ATOM 1213 OG SER A 83 44.109 -51.905 -61.819 1.00 0.14 O ATOM 0 H SER A 83 46.097 -53.329 -63.147 1.00 21.24 H new ATOM 0 HA SER A 83 46.936 -51.495 -60.977 1.00 74.31 H new ATOM 0 HB2 SER A 83 44.675 -53.367 -60.485 1.00 41.32 H new ATOM 0 HB3 SER A 83 44.905 -51.721 -59.929 1.00 41.32 H new ATOM 0 HG SER A 83 43.274 -51.590 -61.415 1.00 0.14 H new ATOM 1219 N ASP A 84 48.356 -53.358 -60.172 1.00 5.02 N ATOM 1220 CA ASP A 84 49.154 -54.412 -59.557 1.00 24.24 C ATOM 1221 C ASP A 84 49.595 -55.438 -60.597 1.00 14.33 C ATOM 1222 O ASP A 84 50.135 -56.489 -60.256 1.00 23.23 O ATOM 1223 CB ASP A 84 48.359 -55.102 -58.447 1.00 52.12 C ATOM 1224 CG ASP A 84 48.987 -54.911 -57.080 1.00 74.44 C ATOM 1225 OD1 ASP A 84 48.974 -53.769 -56.575 1.00 70.22 O ATOM 1226 OD2 ASP A 84 49.490 -55.905 -56.516 1.00 13.25 O ATOM 0 H ASP A 84 48.799 -52.439 -60.173 1.00 5.02 H new ATOM 0 HA ASP A 84 50.044 -53.954 -59.125 1.00 24.24 H new ATOM 0 HB2 ASP A 84 47.342 -54.709 -58.435 1.00 52.12 H new ATOM 0 HB3 ASP A 84 48.287 -56.168 -58.665 1.00 52.12 H new ATOM 1231 N ALA A 85 49.358 -55.124 -61.866 1.00 70.23 N ATOM 1232 CA ALA A 85 49.731 -56.018 -62.956 1.00 12.30 C ATOM 1233 C ALA A 85 49.358 -57.461 -62.635 1.00 12.14 C ATOM 1234 O ALA A 85 50.213 -58.266 -62.264 1.00 53.14 O ATOM 1235 CB ALA A 85 51.221 -55.907 -63.243 1.00 52.10 C ATOM 0 H ALA A 85 48.910 -54.258 -62.165 1.00 70.23 H new ATOM 0 HA ALA A 85 49.177 -55.717 -63.845 1.00 12.30 H new ATOM 0 HB1 ALA A 85 51.486 -56.580 -64.059 1.00 52.10 H new ATOM 0 HB2 ALA A 85 51.462 -54.882 -63.525 1.00 52.10 H new ATOM 0 HB3 ALA A 85 51.785 -56.180 -62.351 1.00 52.10 H new ATOM 1241 N PHE A 86 48.076 -57.782 -62.778 1.00 2.14 N ATOM 1242 CA PHE A 86 47.590 -59.128 -62.501 1.00 31.44 C ATOM 1243 C PHE A 86 46.086 -59.224 -62.740 1.00 51.54 C ATOM 1244 O PHE A 86 45.284 -58.955 -61.845 1.00 63.22 O ATOM 1245 CB PHE A 86 47.914 -59.524 -61.058 1.00 72.05 C ATOM 1246 CG PHE A 86 48.960 -60.596 -60.952 1.00 20.44 C ATOM 1247 CD1 PHE A 86 48.815 -61.795 -61.632 1.00 15.22 C ATOM 1248 CD2 PHE A 86 50.089 -60.406 -60.172 1.00 1.05 C ATOM 1249 CE1 PHE A 86 49.775 -62.783 -61.535 1.00 24.45 C ATOM 1250 CE2 PHE A 86 51.054 -61.391 -60.071 1.00 14.13 C ATOM 1251 CZ PHE A 86 50.897 -62.581 -60.754 1.00 51.21 C ATOM 0 H PHE A 86 47.356 -57.128 -63.084 1.00 2.14 H new ATOM 0 HA PHE A 86 48.093 -59.815 -63.181 1.00 31.44 H new ATOM 0 HB2 PHE A 86 48.253 -58.642 -60.515 1.00 72.05 H new ATOM 0 HB3 PHE A 86 47.002 -59.868 -60.570 1.00 72.05 H new ATOM 0 HD1 PHE A 86 47.941 -61.959 -62.245 1.00 15.22 H new ATOM 0 HD2 PHE A 86 50.217 -59.477 -59.636 1.00 1.05 H new ATOM 0 HE1 PHE A 86 49.649 -63.713 -62.069 1.00 24.45 H new ATOM 0 HE2 PHE A 86 51.929 -61.230 -59.459 1.00 14.13 H new ATOM 0 HZ PHE A 86 51.649 -63.352 -60.678 1.00 51.21 H new ATOM 1261 N LYS A 87 45.710 -59.607 -63.956 1.00 12.13 N ATOM 1262 CA LYS A 87 44.303 -59.739 -64.316 1.00 0.23 C ATOM 1263 C LYS A 87 43.603 -60.750 -63.414 1.00 21.52 C ATOM 1264 O LYS A 87 44.155 -61.805 -63.102 1.00 2.32 O ATOM 1265 CB LYS A 87 44.168 -60.165 -65.779 1.00 73.03 C ATOM 1266 CG LYS A 87 43.191 -59.314 -66.573 1.00 25.02 C ATOM 1267 CD LYS A 87 41.750 -59.675 -66.254 1.00 63.03 C ATOM 1268 CE LYS A 87 41.406 -61.074 -66.741 1.00 35.21 C ATOM 1269 NZ LYS A 87 41.118 -62.000 -65.610 1.00 44.31 N ATOM 0 H LYS A 87 46.360 -59.831 -64.709 1.00 12.13 H new ATOM 0 HA LYS A 87 43.826 -58.768 -64.181 1.00 0.23 H new ATOM 0 HB2 LYS A 87 45.148 -60.118 -66.254 1.00 73.03 H new ATOM 0 HB3 LYS A 87 43.845 -61.205 -65.817 1.00 73.03 H new ATOM 0 HG2 LYS A 87 43.361 -58.260 -66.351 1.00 25.02 H new ATOM 0 HG3 LYS A 87 43.373 -59.448 -67.639 1.00 25.02 H new ATOM 0 HD2 LYS A 87 41.588 -59.613 -65.178 1.00 63.03 H new ATOM 0 HD3 LYS A 87 41.081 -58.952 -66.720 1.00 63.03 H new ATOM 0 HE2 LYS A 87 40.540 -61.026 -67.401 1.00 35.21 H new ATOM 0 HE3 LYS A 87 42.234 -61.467 -67.330 1.00 35.21 H new ATOM 0 HZ1 LYS A 87 40.618 -62.839 -65.967 1.00 44.31 H new ATOM 0 HZ2 LYS A 87 42.011 -62.293 -65.165 1.00 44.31 H new ATOM 0 HZ3 LYS A 87 40.523 -61.516 -64.907 1.00 44.31 H new ATOM 1283 N GLY A 88 42.383 -60.423 -62.999 1.00 41.51 N ATOM 1284 CA GLY A 88 41.628 -61.314 -62.138 1.00 54.14 C ATOM 1285 C GLY A 88 40.131 -61.113 -62.267 1.00 33.12 C ATOM 1286 O GLY A 88 39.443 -61.907 -62.910 1.00 61.04 O ATOM 0 H GLY A 88 41.904 -59.556 -63.244 1.00 41.51 H new ATOM 0 HA2 GLY A 88 41.875 -62.347 -62.383 1.00 54.14 H new ATOM 0 HA3 GLY A 88 41.925 -61.152 -61.102 1.00 54.14 H new ATOM 1290 N LEU A 89 39.623 -60.050 -61.652 1.00 61.42 N ATOM 1291 CA LEU A 89 38.197 -59.748 -61.699 1.00 73.11 C ATOM 1292 C LEU A 89 37.809 -59.158 -63.051 1.00 44.22 C ATOM 1293 O LEU A 89 38.657 -58.648 -63.785 1.00 23.32 O ATOM 1294 CB LEU A 89 37.825 -58.775 -60.579 1.00 55.33 C ATOM 1295 CG LEU A 89 38.034 -59.282 -59.152 1.00 45.51 C ATOM 1296 CD1 LEU A 89 38.717 -58.220 -58.304 1.00 11.14 C ATOM 1297 CD2 LEU A 89 36.707 -59.691 -58.531 1.00 21.30 C ATOM 0 H LEU A 89 40.178 -59.383 -61.115 1.00 61.42 H new ATOM 0 HA LEU A 89 37.649 -60.680 -61.560 1.00 73.11 H new ATOM 0 HB2 LEU A 89 38.408 -57.863 -60.708 1.00 55.33 H new ATOM 0 HB3 LEU A 89 36.776 -58.502 -60.696 1.00 55.33 H new ATOM 0 HG LEU A 89 38.680 -60.159 -59.189 1.00 45.51 H new ATOM 0 HD11 LEU A 89 38.858 -58.598 -57.291 1.00 11.14 H new ATOM 0 HD12 LEU A 89 39.686 -57.976 -58.738 1.00 11.14 H new ATOM 0 HD13 LEU A 89 38.097 -57.324 -58.274 1.00 11.14 H new ATOM 0 HD21 LEU A 89 36.876 -60.049 -57.515 1.00 21.30 H new ATOM 0 HD22 LEU A 89 36.037 -58.832 -58.506 1.00 21.30 H new ATOM 0 HD23 LEU A 89 36.256 -60.486 -59.126 1.00 21.30 H new ATOM 1309 N THR A 90 36.522 -59.228 -63.375 1.00 12.11 N ATOM 1310 CA THR A 90 36.021 -58.700 -64.638 1.00 4.22 C ATOM 1311 C THR A 90 36.548 -57.292 -64.893 1.00 24.34 C ATOM 1312 O THR A 90 36.463 -56.420 -64.027 1.00 31.10 O ATOM 1313 CB THR A 90 34.482 -58.672 -64.664 1.00 54.12 C ATOM 1314 OG1 THR A 90 34.021 -58.280 -65.962 1.00 70.12 O ATOM 1315 CG2 THR A 90 33.940 -57.711 -63.617 1.00 13.21 C ATOM 0 H THR A 90 35.807 -59.646 -62.780 1.00 12.11 H new ATOM 0 HA THR A 90 36.378 -59.367 -65.423 1.00 4.22 H new ATOM 0 HB THR A 90 34.119 -59.674 -64.437 1.00 54.12 H new ATOM 0 HG1 THR A 90 33.068 -58.493 -66.049 1.00 70.12 H new ATOM 0 HG21 THR A 90 32.851 -57.708 -63.655 1.00 13.21 H new ATOM 0 HG22 THR A 90 34.268 -58.028 -62.627 1.00 13.21 H new ATOM 0 HG23 THR A 90 34.312 -56.706 -63.818 1.00 13.21 H new ATOM 1323 N LEU A 91 37.093 -57.076 -66.085 1.00 33.41 N ATOM 1324 CA LEU A 91 37.633 -55.773 -66.454 1.00 44.24 C ATOM 1325 C LEU A 91 36.513 -54.763 -66.682 1.00 31.04 C ATOM 1326 O LEU A 91 36.713 -53.556 -66.542 1.00 35.33 O ATOM 1327 CB LEU A 91 38.490 -55.893 -67.716 1.00 24.12 C ATOM 1328 CG LEU A 91 37.735 -56.168 -69.017 1.00 2.23 C ATOM 1329 CD1 LEU A 91 38.461 -55.541 -70.197 1.00 73.55 C ATOM 1330 CD2 LEU A 91 37.563 -57.665 -69.227 1.00 51.04 C ATOM 0 H LEU A 91 37.172 -57.787 -66.812 1.00 33.41 H new ATOM 0 HA LEU A 91 38.254 -55.419 -65.631 1.00 44.24 H new ATOM 0 HB2 LEU A 91 39.056 -54.969 -67.836 1.00 24.12 H new ATOM 0 HB3 LEU A 91 39.215 -56.693 -67.564 1.00 24.12 H new ATOM 0 HG LEU A 91 36.746 -55.716 -68.944 1.00 2.23 H new ATOM 0 HD11 LEU A 91 37.910 -55.747 -71.114 1.00 73.55 H new ATOM 0 HD12 LEU A 91 38.531 -54.463 -70.050 1.00 73.55 H new ATOM 0 HD13 LEU A 91 39.463 -55.963 -70.274 1.00 73.55 H new ATOM 0 HD21 LEU A 91 37.024 -57.842 -70.157 1.00 51.04 H new ATOM 0 HD22 LEU A 91 38.543 -58.140 -69.279 1.00 51.04 H new ATOM 0 HD23 LEU A 91 36.999 -58.087 -68.395 1.00 51.04 H new ATOM 1342 N VAL A 92 35.333 -55.265 -67.031 1.00 34.01 N ATOM 1343 CA VAL A 92 34.179 -54.407 -67.274 1.00 72.51 C ATOM 1344 C VAL A 92 33.875 -53.538 -66.059 1.00 53.24 C ATOM 1345 O VAL A 92 33.264 -52.476 -66.179 1.00 53.33 O ATOM 1346 CB VAL A 92 32.928 -55.235 -67.625 1.00 63.31 C ATOM 1347 CG1 VAL A 92 33.242 -56.235 -68.728 1.00 54.31 C ATOM 1348 CG2 VAL A 92 32.394 -55.943 -66.389 1.00 1.00 C ATOM 0 H VAL A 92 35.151 -56.261 -67.152 1.00 34.01 H new ATOM 0 HA VAL A 92 34.432 -53.768 -68.120 1.00 72.51 H new ATOM 0 HB VAL A 92 32.156 -54.558 -67.990 1.00 63.31 H new ATOM 0 HG11 VAL A 92 32.347 -56.811 -68.963 1.00 54.31 H new ATOM 0 HG12 VAL A 92 33.574 -55.702 -69.619 1.00 54.31 H new ATOM 0 HG13 VAL A 92 34.030 -56.910 -68.394 1.00 54.31 H new ATOM 0 HG21 VAL A 92 31.510 -56.523 -66.655 1.00 1.00 H new ATOM 0 HG22 VAL A 92 33.160 -56.610 -65.992 1.00 1.00 H new ATOM 0 HG23 VAL A 92 32.129 -55.204 -65.633 1.00 1.00 H new ATOM 1358 N LYS A 93 34.306 -53.995 -64.889 1.00 34.14 N ATOM 1359 CA LYS A 93 34.082 -53.259 -63.650 1.00 31.00 C ATOM 1360 C LYS A 93 34.891 -51.966 -63.632 1.00 14.21 C ATOM 1361 O LYS A 93 34.358 -50.894 -63.345 1.00 52.42 O ATOM 1362 CB LYS A 93 34.456 -54.124 -62.444 1.00 50.20 C ATOM 1363 CG LYS A 93 34.064 -53.511 -61.111 1.00 13.21 C ATOM 1364 CD LYS A 93 35.284 -53.173 -60.272 1.00 25.14 C ATOM 1365 CE LYS A 93 34.940 -52.202 -59.153 1.00 4.22 C ATOM 1366 NZ LYS A 93 36.159 -51.704 -58.456 1.00 32.52 N ATOM 0 H LYS A 93 34.813 -54.872 -64.772 1.00 34.14 H new ATOM 0 HA LYS A 93 33.023 -53.006 -63.593 1.00 31.00 H new ATOM 0 HB2 LYS A 93 33.975 -55.097 -62.542 1.00 50.20 H new ATOM 0 HB3 LYS A 93 35.532 -54.298 -62.452 1.00 50.20 H new ATOM 0 HG2 LYS A 93 33.478 -52.608 -61.283 1.00 13.21 H new ATOM 0 HG3 LYS A 93 33.426 -54.205 -60.564 1.00 13.21 H new ATOM 0 HD2 LYS A 93 35.699 -54.087 -59.847 1.00 25.14 H new ATOM 0 HD3 LYS A 93 36.055 -52.738 -60.908 1.00 25.14 H new ATOM 0 HE2 LYS A 93 34.385 -51.358 -59.563 1.00 4.22 H new ATOM 0 HE3 LYS A 93 34.286 -52.694 -58.433 1.00 4.22 H new ATOM 0 HZ1 LYS A 93 35.898 -50.935 -57.807 1.00 32.52 H new ATOM 0 HZ2 LYS A 93 36.592 -52.481 -57.917 1.00 32.52 H new ATOM 0 HZ3 LYS A 93 36.839 -51.349 -59.158 1.00 32.52 H new ATOM 1380 N ARG A 94 36.179 -52.074 -63.941 1.00 75.31 N ATOM 1381 CA ARG A 94 37.060 -50.913 -63.960 1.00 60.24 C ATOM 1382 C ARG A 94 36.641 -49.931 -65.051 1.00 4.15 C ATOM 1383 O ARG A 94 36.543 -48.727 -64.812 1.00 11.25 O ATOM 1384 CB ARG A 94 38.509 -51.350 -64.182 1.00 23.11 C ATOM 1385 CG ARG A 94 39.337 -51.384 -62.907 1.00 52.35 C ATOM 1386 CD ARG A 94 39.752 -52.802 -62.550 1.00 35.32 C ATOM 1387 NE ARG A 94 38.637 -53.580 -62.014 1.00 3.30 N ATOM 1388 CZ ARG A 94 38.543 -54.900 -62.122 1.00 25.31 C ATOM 1389 NH1 ARG A 94 39.493 -55.587 -62.742 1.00 72.13 N ATOM 1390 NH2 ARG A 94 37.499 -55.537 -61.608 1.00 54.40 N ATOM 0 H ARG A 94 36.635 -52.954 -64.182 1.00 75.31 H new ATOM 0 HA ARG A 94 36.982 -50.413 -62.995 1.00 60.24 H new ATOM 0 HB2 ARG A 94 38.515 -52.341 -64.636 1.00 23.11 H new ATOM 0 HB3 ARG A 94 38.980 -50.671 -64.893 1.00 23.11 H new ATOM 0 HG2 ARG A 94 40.225 -50.764 -63.032 1.00 52.35 H new ATOM 0 HG3 ARG A 94 38.762 -50.955 -62.087 1.00 52.35 H new ATOM 0 HD2 ARG A 94 40.147 -53.298 -63.436 1.00 35.32 H new ATOM 0 HD3 ARG A 94 40.558 -52.770 -61.817 1.00 35.32 H new ATOM 0 HE ARG A 94 37.890 -53.082 -61.530 1.00 3.30 H new ATOM 0 HH11 ARG A 94 40.298 -55.101 -63.137 1.00 72.13 H new ATOM 0 HH12 ARG A 94 39.418 -56.601 -62.824 1.00 72.13 H new ATOM 0 HH21 ARG A 94 36.767 -55.013 -61.129 1.00 54.40 H new ATOM 0 HH22 ARG A 94 37.428 -56.551 -61.692 1.00 54.40 H new ATOM 1404 N HIS A 95 36.397 -50.453 -66.248 1.00 54.02 N ATOM 1405 CA HIS A 95 35.988 -49.622 -67.375 1.00 64.15 C ATOM 1406 C HIS A 95 34.651 -48.944 -67.094 1.00 51.04 C ATOM 1407 O HIS A 95 34.414 -47.817 -67.527 1.00 11.51 O ATOM 1408 CB HIS A 95 35.889 -50.465 -68.648 1.00 10.55 C ATOM 1409 CG HIS A 95 34.788 -50.033 -69.567 1.00 64.02 C ATOM 1410 ND1 HIS A 95 33.726 -50.846 -69.903 1.00 43.41 N ATOM 1411 CD2 HIS A 95 34.588 -48.865 -70.221 1.00 62.02 C ATOM 1412 CE1 HIS A 95 32.921 -50.197 -70.725 1.00 42.14 C ATOM 1413 NE2 HIS A 95 33.421 -48.992 -70.934 1.00 64.31 N ATOM 0 H HIS A 95 36.475 -51.447 -66.463 1.00 54.02 H new ATOM 0 HA HIS A 95 36.743 -48.849 -67.518 1.00 64.15 H new ATOM 0 HB2 HIS A 95 36.838 -50.415 -69.182 1.00 10.55 H new ATOM 0 HB3 HIS A 95 35.733 -51.508 -68.372 1.00 10.55 H new ATOM 0 HD1 HIS A 95 33.584 -51.799 -69.569 1.00 43.41 H new ATOM 0 HD2 HIS A 95 35.227 -47.995 -70.188 1.00 62.02 H new ATOM 0 HE1 HIS A 95 32.009 -50.585 -71.154 1.00 42.14 H new ATOM 1421 N GLN A 96 33.781 -49.639 -66.369 1.00 24.35 N ATOM 1422 CA GLN A 96 32.468 -49.104 -66.032 1.00 35.03 C ATOM 1423 C GLN A 96 32.578 -48.025 -64.960 1.00 11.32 C ATOM 1424 O GLN A 96 31.802 -47.068 -64.945 1.00 31.34 O ATOM 1425 CB GLN A 96 31.545 -50.225 -65.550 1.00 72.14 C ATOM 1426 CG GLN A 96 30.191 -49.733 -65.066 1.00 55.43 C ATOM 1427 CD GLN A 96 29.035 -50.460 -65.725 1.00 63.22 C ATOM 1428 OE1 GLN A 96 29.012 -51.690 -65.781 1.00 31.12 O ATOM 1429 NE2 GLN A 96 28.068 -49.702 -66.229 1.00 62.51 N ATOM 0 H GLN A 96 33.962 -50.574 -66.004 1.00 24.35 H new ATOM 0 HA GLN A 96 32.045 -48.656 -66.931 1.00 35.03 H new ATOM 0 HB2 GLN A 96 31.395 -50.935 -66.363 1.00 72.14 H new ATOM 0 HB3 GLN A 96 32.036 -50.766 -64.741 1.00 72.14 H new ATOM 0 HG2 GLN A 96 30.127 -49.862 -63.985 1.00 55.43 H new ATOM 0 HG3 GLN A 96 30.104 -48.665 -65.266 1.00 55.43 H new ATOM 0 HE21 GLN A 96 28.128 -48.686 -66.160 1.00 62.51 H new ATOM 0 HE22 GLN A 96 27.265 -50.136 -66.685 1.00 62.51 H new ATOM 1438 N LEU A 97 33.546 -48.184 -64.064 1.00 62.25 N ATOM 1439 CA LEU A 97 33.758 -47.223 -62.988 1.00 23.14 C ATOM 1440 C LEU A 97 34.091 -45.844 -63.547 1.00 3.43 C ATOM 1441 O LEU A 97 33.453 -44.851 -63.196 1.00 42.50 O ATOM 1442 CB LEU A 97 34.884 -47.698 -62.068 1.00 22.53 C ATOM 1443 CG LEU A 97 34.492 -48.721 -61.001 1.00 25.24 C ATOM 1444 CD1 LEU A 97 35.727 -49.239 -60.279 1.00 12.34 C ATOM 1445 CD2 LEU A 97 33.511 -48.110 -60.011 1.00 73.24 C ATOM 0 H LEU A 97 34.196 -48.970 -64.062 1.00 62.25 H new ATOM 0 HA LEU A 97 32.835 -47.149 -62.414 1.00 23.14 H new ATOM 0 HB2 LEU A 97 35.672 -48.130 -62.685 1.00 22.53 H new ATOM 0 HB3 LEU A 97 35.310 -46.828 -61.569 1.00 22.53 H new ATOM 0 HG LEU A 97 34.004 -49.562 -61.493 1.00 25.24 H new ATOM 0 HD11 LEU A 97 35.429 -49.966 -59.523 1.00 12.34 H new ATOM 0 HD12 LEU A 97 36.395 -49.715 -60.997 1.00 12.34 H new ATOM 0 HD13 LEU A 97 36.243 -48.408 -59.799 1.00 12.34 H new ATOM 0 HD21 LEU A 97 33.243 -48.852 -59.259 1.00 73.24 H new ATOM 0 HD22 LEU A 97 33.973 -47.251 -59.524 1.00 73.24 H new ATOM 0 HD23 LEU A 97 32.613 -47.789 -60.539 1.00 73.24 H new ATOM 1457 N ILE A 98 35.092 -45.790 -64.419 1.00 21.30 N ATOM 1458 CA ILE A 98 35.507 -44.533 -65.029 1.00 30.10 C ATOM 1459 C ILE A 98 34.630 -44.188 -66.227 1.00 53.25 C ATOM 1460 O ILE A 98 34.529 -43.026 -66.622 1.00 45.15 O ATOM 1461 CB ILE A 98 36.978 -44.586 -65.482 1.00 40.40 C ATOM 1462 CG1 ILE A 98 37.168 -45.666 -66.548 1.00 72.52 C ATOM 1463 CG2 ILE A 98 37.890 -44.842 -64.292 1.00 30.34 C ATOM 1464 CD1 ILE A 98 38.447 -45.515 -67.342 1.00 14.42 C ATOM 0 H ILE A 98 35.631 -46.602 -64.719 1.00 21.30 H new ATOM 0 HA ILE A 98 35.398 -43.761 -64.267 1.00 30.10 H new ATOM 0 HB ILE A 98 37.243 -43.623 -65.917 1.00 40.40 H new ATOM 0 HG12 ILE A 98 37.162 -46.644 -66.067 1.00 72.52 H new ATOM 0 HG13 ILE A 98 36.320 -45.642 -67.233 1.00 72.52 H new ATOM 0 HG21 ILE A 98 38.926 -44.877 -64.629 1.00 30.34 H new ATOM 0 HG22 ILE A 98 37.772 -44.040 -63.564 1.00 30.34 H new ATOM 0 HG23 ILE A 98 37.627 -45.793 -63.830 1.00 30.34 H new ATOM 0 HD11 ILE A 98 38.514 -46.315 -68.079 1.00 14.42 H new ATOM 0 HD12 ILE A 98 38.447 -44.551 -67.852 1.00 14.42 H new ATOM 0 HD13 ILE A 98 39.302 -45.569 -66.668 1.00 14.42 H new ATOM 1476 N TYR A 99 33.995 -45.204 -66.801 1.00 14.21 N ATOM 1477 CA TYR A 99 33.125 -45.008 -67.955 1.00 65.32 C ATOM 1478 C TYR A 99 33.708 -43.967 -68.906 1.00 1.23 C ATOM 1479 O TYR A 99 33.002 -43.077 -69.379 1.00 20.25 O ATOM 1480 CB TYR A 99 31.730 -44.577 -67.502 1.00 33.03 C ATOM 1481 CG TYR A 99 31.740 -43.416 -66.534 1.00 15.35 C ATOM 1482 CD1 TYR A 99 31.688 -42.105 -66.991 1.00 13.54 C ATOM 1483 CD2 TYR A 99 31.802 -43.629 -65.162 1.00 75.31 C ATOM 1484 CE1 TYR A 99 31.697 -41.040 -66.110 1.00 21.22 C ATOM 1485 CE2 TYR A 99 31.810 -42.571 -64.274 1.00 72.31 C ATOM 1486 CZ TYR A 99 31.758 -41.279 -64.753 1.00 12.33 C ATOM 1487 OH TYR A 99 31.767 -40.222 -63.871 1.00 43.13 O ATOM 0 H TYR A 99 34.066 -46.172 -66.486 1.00 14.21 H new ATOM 0 HA TYR A 99 33.049 -45.957 -68.486 1.00 65.32 H new ATOM 0 HB2 TYR A 99 31.141 -44.304 -68.378 1.00 33.03 H new ATOM 0 HB3 TYR A 99 31.231 -45.425 -67.034 1.00 33.03 H new ATOM 0 HD1 TYR A 99 31.640 -41.915 -68.053 1.00 13.54 H new ATOM 0 HD2 TYR A 99 31.845 -44.640 -64.783 1.00 75.31 H new ATOM 0 HE1 TYR A 99 31.657 -40.027 -66.482 1.00 21.22 H new ATOM 0 HE2 TYR A 99 31.857 -42.755 -63.211 1.00 72.31 H new ATOM 0 HH TYR A 99 31.812 -40.562 -62.953 1.00 43.13 H new ATOM 1497 N GLY A 100 35.003 -44.086 -69.182 1.00 4.33 N ATOM 1498 CA GLY A 100 35.661 -43.149 -70.075 1.00 34.44 C ATOM 1499 C GLY A 100 35.753 -43.670 -71.495 1.00 73.22 C ATOM 1500 O GLY A 100 36.142 -42.940 -72.408 1.00 73.30 O ATOM 0 H GLY A 100 35.609 -44.814 -68.803 1.00 4.33 H new ATOM 0 HA2 GLY A 100 35.116 -42.205 -70.072 1.00 34.44 H new ATOM 0 HA3 GLY A 100 36.664 -42.939 -69.702 1.00 34.44 H new ATOM 1504 N LEU A 101 35.396 -44.936 -71.684 1.00 1.23 N ATOM 1505 CA LEU A 101 35.442 -45.555 -73.004 1.00 32.02 C ATOM 1506 C LEU A 101 34.189 -45.219 -73.807 1.00 2.14 C ATOM 1507 O LEU A 101 33.486 -46.111 -74.283 1.00 33.04 O ATOM 1508 CB LEU A 101 35.585 -47.072 -72.872 1.00 63.35 C ATOM 1509 CG LEU A 101 35.806 -47.841 -74.176 1.00 33.02 C ATOM 1510 CD1 LEU A 101 37.288 -47.913 -74.509 1.00 32.22 C ATOM 1511 CD2 LEU A 101 35.210 -49.238 -74.078 1.00 64.11 C ATOM 0 H LEU A 101 35.072 -45.554 -70.940 1.00 1.23 H new ATOM 0 HA LEU A 101 36.308 -45.159 -73.534 1.00 32.02 H new ATOM 0 HB2 LEU A 101 36.420 -47.281 -72.204 1.00 63.35 H new ATOM 0 HB3 LEU A 101 34.687 -47.461 -72.392 1.00 63.35 H new ATOM 0 HG LEU A 101 35.300 -47.307 -74.981 1.00 33.02 H new ATOM 0 HD11 LEU A 101 37.425 -48.464 -75.440 1.00 32.22 H new ATOM 0 HD12 LEU A 101 37.685 -46.904 -74.622 1.00 32.22 H new ATOM 0 HD13 LEU A 101 37.817 -48.423 -73.704 1.00 32.22 H new ATOM 0 HD21 LEU A 101 35.376 -49.771 -75.014 1.00 64.11 H new ATOM 0 HD22 LEU A 101 35.687 -49.781 -73.262 1.00 64.11 H new ATOM 0 HD23 LEU A 101 34.139 -49.164 -73.888 1.00 64.11 H new ATOM 1523 N LEU A 102 33.917 -43.927 -73.955 1.00 61.22 N ATOM 1524 CA LEU A 102 32.750 -43.472 -74.703 1.00 20.20 C ATOM 1525 C LEU A 102 32.662 -41.949 -74.702 1.00 22.43 C ATOM 1526 O LEU A 102 32.096 -41.351 -73.787 1.00 21.00 O ATOM 1527 CB LEU A 102 31.474 -44.068 -74.107 1.00 73.50 C ATOM 1528 CG LEU A 102 30.160 -43.430 -74.559 1.00 71.01 C ATOM 1529 CD1 LEU A 102 30.091 -43.368 -76.077 1.00 70.41 C ATOM 1530 CD2 LEU A 102 28.972 -44.200 -74.000 1.00 65.44 C ATOM 0 H LEU A 102 34.488 -43.176 -73.567 1.00 61.22 H new ATOM 0 HA LEU A 102 32.855 -43.811 -75.734 1.00 20.20 H new ATOM 0 HB2 LEU A 102 31.443 -45.129 -74.354 1.00 73.50 H new ATOM 0 HB3 LEU A 102 31.536 -43.995 -73.021 1.00 73.50 H new ATOM 0 HG LEU A 102 30.121 -42.412 -74.172 1.00 71.01 H new ATOM 0 HD11 LEU A 102 29.149 -42.911 -76.380 1.00 70.41 H new ATOM 0 HD12 LEU A 102 30.922 -42.772 -76.455 1.00 70.41 H new ATOM 0 HD13 LEU A 102 30.153 -44.377 -76.486 1.00 70.41 H new ATOM 0 HD21 LEU A 102 28.046 -43.731 -74.332 1.00 65.44 H new ATOM 0 HD22 LEU A 102 29.006 -45.230 -74.356 1.00 65.44 H new ATOM 0 HD23 LEU A 102 29.013 -44.191 -72.911 1.00 65.44 H new ATOM 1542 N SER A 103 33.224 -41.328 -75.734 1.00 24.52 N ATOM 1543 CA SER A 103 33.211 -39.875 -75.851 1.00 61.11 C ATOM 1544 C SER A 103 33.939 -39.425 -77.114 1.00 64.31 C ATOM 1545 O SER A 103 33.313 -39.032 -78.098 1.00 41.51 O ATOM 1546 CB SER A 103 33.859 -39.237 -74.621 1.00 13.03 C ATOM 1547 OG SER A 103 34.667 -40.172 -73.927 1.00 13.00 O ATOM 0 H SER A 103 33.694 -41.809 -76.501 1.00 24.52 H new ATOM 0 HA SER A 103 32.173 -39.550 -75.916 1.00 61.11 H new ATOM 0 HB2 SER A 103 34.465 -38.384 -74.927 1.00 13.03 H new ATOM 0 HB3 SER A 103 33.085 -38.856 -73.955 1.00 13.03 H new ATOM 0 HG SER A 103 34.862 -39.832 -73.029 1.00 13.00 H new ATOM 1553 N ASP A 104 35.266 -39.487 -77.078 1.00 11.01 N ATOM 1554 CA ASP A 104 36.081 -39.087 -78.219 1.00 62.41 C ATOM 1555 C ASP A 104 35.889 -40.049 -79.388 1.00 13.23 C ATOM 1556 O ASP A 104 35.933 -39.645 -80.549 1.00 41.12 O ATOM 1557 CB ASP A 104 37.558 -39.034 -77.824 1.00 71.23 C ATOM 1558 CG ASP A 104 38.390 -38.227 -78.802 1.00 32.15 C ATOM 1559 OD1 ASP A 104 38.295 -38.489 -80.019 1.00 50.42 O ATOM 1560 OD2 ASP A 104 39.135 -37.333 -78.349 1.00 31.42 O ATOM 0 H ASP A 104 35.800 -39.810 -76.271 1.00 11.01 H new ATOM 0 HA ASP A 104 35.760 -38.094 -78.533 1.00 62.41 H new ATOM 0 HB2 ASP A 104 37.650 -38.599 -76.829 1.00 71.23 H new ATOM 0 HB3 ASP A 104 37.952 -40.048 -77.767 1.00 71.23 H new ATOM 1565 N GLU A 105 35.676 -41.322 -79.071 1.00 71.30 N ATOM 1566 CA GLU A 105 35.479 -42.341 -80.096 1.00 12.13 C ATOM 1567 C GLU A 105 34.362 -41.939 -81.055 1.00 43.40 C ATOM 1568 O GLU A 105 34.449 -42.176 -82.260 1.00 53.41 O ATOM 1569 CB GLU A 105 35.150 -43.689 -79.450 1.00 3.40 C ATOM 1570 CG GLU A 105 34.119 -44.497 -80.219 1.00 51.22 C ATOM 1571 CD GLU A 105 32.695 -44.094 -79.886 1.00 44.34 C ATOM 1572 OE1 GLU A 105 32.472 -43.563 -78.778 1.00 61.33 O ATOM 1573 OE2 GLU A 105 31.805 -44.309 -80.735 1.00 52.21 O ATOM 0 H GLU A 105 35.635 -41.672 -78.114 1.00 71.30 H new ATOM 0 HA GLU A 105 36.406 -42.434 -80.663 1.00 12.13 H new ATOM 0 HB2 GLU A 105 36.066 -44.274 -79.363 1.00 3.40 H new ATOM 0 HB3 GLU A 105 34.784 -43.517 -78.438 1.00 3.40 H new ATOM 0 HG2 GLU A 105 34.288 -44.371 -81.288 1.00 51.22 H new ATOM 0 HG3 GLU A 105 34.254 -45.556 -79.998 1.00 51.22 H new ATOM 1580 N PHE A 106 33.314 -41.329 -80.511 1.00 60.23 N ATOM 1581 CA PHE A 106 32.179 -40.895 -81.318 1.00 1.05 C ATOM 1582 C PHE A 106 32.593 -39.795 -82.291 1.00 73.31 C ATOM 1583 O PHE A 106 31.987 -39.627 -83.349 1.00 54.55 O ATOM 1584 CB PHE A 106 31.048 -40.395 -80.417 1.00 31.24 C ATOM 1585 CG PHE A 106 30.184 -39.350 -81.063 1.00 72.51 C ATOM 1586 CD1 PHE A 106 29.139 -39.716 -81.897 1.00 1.41 C ATOM 1587 CD2 PHE A 106 30.416 -38.003 -80.837 1.00 33.45 C ATOM 1588 CE1 PHE A 106 28.343 -38.756 -82.494 1.00 21.24 C ATOM 1589 CE2 PHE A 106 29.623 -37.039 -81.430 1.00 73.42 C ATOM 1590 CZ PHE A 106 28.584 -37.417 -82.259 1.00 4.40 C ATOM 0 H PHE A 106 33.227 -41.124 -79.516 1.00 60.23 H new ATOM 0 HA PHE A 106 31.825 -41.751 -81.893 1.00 1.05 H new ATOM 0 HB2 PHE A 106 30.425 -41.241 -80.126 1.00 31.24 H new ATOM 0 HB3 PHE A 106 31.477 -39.986 -79.502 1.00 31.24 H new ATOM 0 HD1 PHE A 106 28.945 -40.762 -82.082 1.00 1.41 H new ATOM 0 HD2 PHE A 106 31.226 -37.703 -80.189 1.00 33.45 H new ATOM 0 HE1 PHE A 106 27.533 -39.053 -83.144 1.00 21.24 H new ATOM 0 HE2 PHE A 106 29.815 -35.992 -81.246 1.00 73.42 H new ATOM 0 HZ PHE A 106 27.961 -36.666 -82.722 1.00 4.40 H new ATOM 1600 N LYS A 107 33.629 -39.048 -81.925 1.00 70.52 N ATOM 1601 CA LYS A 107 34.126 -37.965 -82.765 1.00 10.24 C ATOM 1602 C LYS A 107 35.009 -38.505 -83.885 1.00 23.34 C ATOM 1603 O LYS A 107 35.316 -37.796 -84.842 1.00 64.34 O ATOM 1604 CB LYS A 107 34.912 -36.958 -81.921 1.00 62.42 C ATOM 1605 CG LYS A 107 35.401 -35.755 -82.709 1.00 30.31 C ATOM 1606 CD LYS A 107 35.585 -34.541 -81.815 1.00 14.53 C ATOM 1607 CE LYS A 107 36.614 -34.801 -80.725 1.00 52.24 C ATOM 1608 NZ LYS A 107 37.537 -33.646 -80.547 1.00 15.33 N ATOM 0 H LYS A 107 34.141 -39.173 -81.052 1.00 70.52 H new ATOM 0 HA LYS A 107 33.268 -37.464 -83.214 1.00 10.24 H new ATOM 0 HB2 LYS A 107 34.282 -36.613 -81.101 1.00 62.42 H new ATOM 0 HB3 LYS A 107 35.769 -37.462 -81.474 1.00 62.42 H new ATOM 0 HG2 LYS A 107 36.346 -35.997 -83.195 1.00 30.31 H new ATOM 0 HG3 LYS A 107 34.687 -35.522 -83.499 1.00 30.31 H new ATOM 0 HD2 LYS A 107 35.899 -33.689 -82.417 1.00 14.53 H new ATOM 0 HD3 LYS A 107 34.631 -34.275 -81.360 1.00 14.53 H new ATOM 0 HE2 LYS A 107 36.103 -35.006 -79.784 1.00 52.24 H new ATOM 0 HE3 LYS A 107 37.191 -35.692 -80.975 1.00 52.24 H new ATOM 0 HZ1 LYS A 107 38.223 -33.862 -79.796 1.00 15.33 H new ATOM 0 HZ2 LYS A 107 38.044 -33.466 -81.437 1.00 15.33 H new ATOM 0 HZ3 LYS A 107 36.990 -32.802 -80.284 1.00 15.33 H new ATOM 1622 N ALA A 108 35.413 -39.765 -83.758 1.00 21.01 N ATOM 1623 CA ALA A 108 36.258 -40.401 -84.761 1.00 72.02 C ATOM 1624 C ALA A 108 35.418 -41.141 -85.797 1.00 11.21 C ATOM 1625 O ALA A 108 35.701 -41.087 -86.993 1.00 20.41 O ATOM 1626 CB ALA A 108 37.240 -41.354 -84.097 1.00 20.33 C ATOM 0 H ALA A 108 35.169 -40.365 -82.970 1.00 21.01 H new ATOM 0 HA ALA A 108 36.818 -39.621 -85.276 1.00 72.02 H new ATOM 0 HB1 ALA A 108 37.864 -41.822 -84.858 1.00 20.33 H new ATOM 0 HB2 ALA A 108 37.870 -40.800 -83.401 1.00 20.33 H new ATOM 0 HB3 ALA A 108 36.690 -42.124 -83.555 1.00 20.33 H new ATOM 1632 N GLY A 109 34.383 -41.832 -85.329 1.00 20.13 N ATOM 1633 CA GLY A 109 33.519 -42.574 -86.228 1.00 15.21 C ATOM 1634 C GLY A 109 33.745 -44.070 -86.147 1.00 62.33 C ATOM 1635 O GLY A 109 33.004 -44.851 -86.746 1.00 21.33 O ATOM 0 H GLY A 109 34.128 -41.891 -84.343 1.00 20.13 H new ATOM 0 HA2 GLY A 109 32.478 -42.354 -85.991 1.00 15.21 H new ATOM 0 HA3 GLY A 109 33.691 -42.239 -87.251 1.00 15.21 H new ATOM 1639 N LEU A 110 34.773 -44.472 -85.408 1.00 32.35 N ATOM 1640 CA LEU A 110 35.097 -45.886 -85.252 1.00 33.21 C ATOM 1641 C LEU A 110 35.039 -46.300 -83.785 1.00 3.32 C ATOM 1642 O LEU A 110 35.418 -45.534 -82.898 1.00 0.02 O ATOM 1643 CB LEU A 110 36.486 -46.177 -85.822 1.00 3.15 C ATOM 1644 CG LEU A 110 37.527 -45.069 -85.652 1.00 34.33 C ATOM 1645 CD1 LEU A 110 37.207 -43.893 -86.561 1.00 64.14 C ATOM 1646 CD2 LEU A 110 37.595 -44.620 -84.199 1.00 55.45 C ATOM 0 H LEU A 110 35.397 -43.839 -84.907 1.00 32.35 H new ATOM 0 HA LEU A 110 34.356 -46.466 -85.803 1.00 33.21 H new ATOM 0 HB2 LEU A 110 36.868 -47.082 -85.350 1.00 3.15 H new ATOM 0 HB3 LEU A 110 36.383 -46.391 -86.886 1.00 3.15 H new ATOM 0 HG LEU A 110 38.502 -45.466 -85.935 1.00 34.33 H new ATOM 0 HD11 LEU A 110 37.958 -43.114 -86.427 1.00 64.14 H new ATOM 0 HD12 LEU A 110 37.210 -44.224 -87.599 1.00 64.14 H new ATOM 0 HD13 LEU A 110 36.224 -43.496 -86.310 1.00 64.14 H new ATOM 0 HD21 LEU A 110 38.341 -43.832 -84.096 1.00 55.45 H new ATOM 0 HD22 LEU A 110 36.621 -44.241 -83.889 1.00 55.45 H new ATOM 0 HD23 LEU A 110 37.872 -45.466 -83.569 1.00 55.45 H new ATOM 1658 N HIS A 111 34.565 -47.516 -83.536 1.00 62.43 N ATOM 1659 CA HIS A 111 34.461 -48.033 -82.176 1.00 70.33 C ATOM 1660 C HIS A 111 35.795 -47.914 -81.446 1.00 43.01 C ATOM 1661 O HIS A 111 36.806 -47.538 -82.038 1.00 43.52 O ATOM 1662 CB HIS A 111 34.006 -49.493 -82.196 1.00 40.23 C ATOM 1663 CG HIS A 111 32.755 -49.741 -81.411 1.00 61.10 C ATOM 1664 ND1 HIS A 111 31.531 -49.976 -82.000 1.00 53.32 N ATOM 1665 CD2 HIS A 111 32.544 -49.792 -80.075 1.00 21.30 C ATOM 1666 CE1 HIS A 111 30.620 -50.159 -81.061 1.00 3.44 C ATOM 1667 NE2 HIS A 111 31.210 -50.053 -79.883 1.00 55.12 N ATOM 0 H HIS A 111 34.247 -48.162 -84.258 1.00 62.43 H new ATOM 0 HA HIS A 111 33.721 -47.437 -81.643 1.00 70.33 H new ATOM 0 HB2 HIS A 111 33.844 -49.800 -83.229 1.00 40.23 H new ATOM 0 HB3 HIS A 111 34.805 -50.119 -81.799 1.00 40.23 H new ATOM 0 HD2 HIS A 111 33.287 -49.653 -79.304 1.00 21.30 H new ATOM 0 HE1 HIS A 111 29.572 -50.361 -81.227 1.00 3.44 H new ATOM 0 HE2 HIS A 111 30.749 -50.149 -78.978 1.00 55.12 H new ATOM 1675 N ALA A 112 35.790 -48.236 -80.157 1.00 33.42 N ATOM 1676 CA ALA A 112 36.999 -48.166 -79.347 1.00 23.54 C ATOM 1677 C ALA A 112 37.196 -49.447 -78.542 1.00 50.11 C ATOM 1678 O ALA A 112 36.266 -50.237 -78.376 1.00 72.23 O ATOM 1679 CB ALA A 112 36.945 -46.961 -78.419 1.00 74.44 C ATOM 0 H ALA A 112 34.961 -48.548 -79.651 1.00 33.42 H new ATOM 0 HA ALA A 112 37.850 -48.055 -80.019 1.00 23.54 H new ATOM 0 HB1 ALA A 112 37.855 -46.922 -77.820 1.00 74.44 H new ATOM 0 HB2 ALA A 112 36.861 -46.050 -79.011 1.00 74.44 H new ATOM 0 HB3 ALA A 112 36.081 -47.047 -77.760 1.00 74.44 H new ATOM 1685 N LEU A 113 38.411 -49.647 -78.045 1.00 5.42 N ATOM 1686 CA LEU A 113 38.731 -50.833 -77.257 1.00 54.54 C ATOM 1687 C LEU A 113 39.213 -50.447 -75.863 1.00 1.42 C ATOM 1688 O LEU A 113 39.826 -49.396 -75.676 1.00 13.21 O ATOM 1689 CB LEU A 113 39.799 -51.667 -77.966 1.00 73.22 C ATOM 1690 CG LEU A 113 41.065 -50.920 -78.387 1.00 55.14 C ATOM 1691 CD1 LEU A 113 42.273 -51.446 -77.628 1.00 15.11 C ATOM 1692 CD2 LEU A 113 41.281 -51.042 -79.889 1.00 24.04 C ATOM 0 H LEU A 113 39.192 -49.003 -78.173 1.00 5.42 H new ATOM 0 HA LEU A 113 37.823 -51.427 -77.155 1.00 54.54 H new ATOM 0 HB2 LEU A 113 40.087 -52.487 -77.308 1.00 73.22 H new ATOM 0 HB3 LEU A 113 39.352 -52.113 -78.854 1.00 73.22 H new ATOM 0 HG LEU A 113 40.940 -49.865 -78.142 1.00 55.14 H new ATOM 0 HD11 LEU A 113 43.164 -50.902 -77.941 1.00 15.11 H new ATOM 0 HD12 LEU A 113 42.120 -51.306 -76.558 1.00 15.11 H new ATOM 0 HD13 LEU A 113 42.402 -52.507 -77.840 1.00 15.11 H new ATOM 0 HD21 LEU A 113 42.186 -50.505 -80.171 1.00 24.04 H new ATOM 0 HD22 LEU A 113 41.385 -52.093 -80.157 1.00 24.04 H new ATOM 0 HD23 LEU A 113 40.427 -50.616 -80.415 1.00 24.04 H new ATOM 1704 N ALA A 114 38.934 -51.305 -74.887 1.00 43.03 N ATOM 1705 CA ALA A 114 39.344 -51.056 -73.511 1.00 34.04 C ATOM 1706 C ALA A 114 39.788 -52.345 -72.828 1.00 70.33 C ATOM 1707 O ALA A 114 39.194 -53.403 -73.033 1.00 34.33 O ATOM 1708 CB ALA A 114 38.208 -50.408 -72.731 1.00 64.45 C ATOM 0 H ALA A 114 38.426 -52.179 -75.024 1.00 43.03 H new ATOM 0 HA ALA A 114 40.194 -50.374 -73.529 1.00 34.04 H new ATOM 0 HB1 ALA A 114 38.528 -50.228 -71.705 1.00 64.45 H new ATOM 0 HB2 ALA A 114 37.939 -49.461 -73.199 1.00 64.45 H new ATOM 0 HB3 ALA A 114 37.343 -51.071 -72.730 1.00 64.45 H new ATOM 1714 N MET A 115 40.837 -52.249 -72.018 1.00 32.32 N ATOM 1715 CA MET A 115 41.360 -53.409 -71.305 1.00 61.01 C ATOM 1716 C MET A 115 41.837 -53.020 -69.909 1.00 54.23 C ATOM 1717 O MET A 115 42.728 -52.184 -69.756 1.00 52.34 O ATOM 1718 CB MET A 115 42.510 -54.042 -72.091 1.00 50.54 C ATOM 1719 CG MET A 115 42.460 -53.748 -73.582 1.00 64.41 C ATOM 1720 SD MET A 115 43.507 -54.859 -74.543 1.00 54.54 S ATOM 1721 CE MET A 115 42.378 -56.219 -74.835 1.00 45.34 C ATOM 0 H MET A 115 41.341 -51.381 -71.839 1.00 32.32 H new ATOM 0 HA MET A 115 40.554 -54.136 -71.205 1.00 61.01 H new ATOM 0 HB2 MET A 115 43.457 -53.681 -71.689 1.00 50.54 H new ATOM 0 HB3 MET A 115 42.491 -55.121 -71.941 1.00 50.54 H new ATOM 0 HG2 MET A 115 41.431 -53.832 -73.931 1.00 64.41 H new ATOM 0 HG3 MET A 115 42.773 -52.718 -73.756 1.00 64.41 H new ATOM 0 HE1 MET A 115 42.880 -56.990 -75.420 1.00 45.34 H new ATOM 0 HE2 MET A 115 42.058 -56.638 -73.881 1.00 45.34 H new ATOM 0 HE3 MET A 115 41.507 -55.858 -75.383 1.00 45.34 H new ATOM 1731 N THR A 116 41.237 -53.631 -68.892 1.00 62.11 N ATOM 1732 CA THR A 116 41.599 -53.347 -67.509 1.00 63.42 C ATOM 1733 C THR A 116 42.030 -54.616 -66.782 1.00 64.14 C ATOM 1734 O THR A 116 41.292 -55.600 -66.737 1.00 73.44 O ATOM 1735 CB THR A 116 40.429 -52.703 -66.743 1.00 11.21 C ATOM 1736 OG1 THR A 116 39.675 -53.712 -66.061 1.00 52.54 O ATOM 1737 CG2 THR A 116 39.519 -51.936 -67.690 1.00 51.43 C ATOM 0 H THR A 116 40.498 -54.326 -69.000 1.00 62.11 H new ATOM 0 HA THR A 116 42.434 -52.647 -67.538 1.00 63.42 H new ATOM 0 HB THR A 116 40.841 -52.004 -66.015 1.00 11.21 H new ATOM 0 HG1 THR A 116 38.717 -53.543 -66.183 1.00 52.54 H new ATOM 0 HG21 THR A 116 38.700 -51.490 -67.126 1.00 51.43 H new ATOM 0 HG22 THR A 116 40.089 -51.150 -68.185 1.00 51.43 H new ATOM 0 HG23 THR A 116 39.115 -52.618 -68.438 1.00 51.43 H new ATOM 1745 N THR A 117 43.231 -54.587 -66.213 1.00 22.34 N ATOM 1746 CA THR A 117 43.761 -55.735 -65.488 1.00 20.33 C ATOM 1747 C THR A 117 44.091 -55.370 -64.045 1.00 63.01 C ATOM 1748 O THR A 117 45.040 -54.630 -63.782 1.00 73.14 O ATOM 1749 CB THR A 117 45.026 -56.293 -66.167 1.00 21.34 C ATOM 1750 OG1 THR A 117 45.680 -57.222 -65.295 1.00 64.32 O ATOM 1751 CG2 THR A 117 45.985 -55.170 -66.531 1.00 1.14 C ATOM 0 H THR A 117 43.855 -53.781 -66.240 1.00 22.34 H new ATOM 0 HA THR A 117 42.985 -56.500 -65.498 1.00 20.33 H new ATOM 0 HB THR A 117 44.726 -56.803 -67.082 1.00 21.34 H new ATOM 0 HG1 THR A 117 46.482 -57.574 -65.734 1.00 64.32 H new ATOM 0 HG21 THR A 117 46.871 -55.589 -67.009 1.00 1.14 H new ATOM 0 HG22 THR A 117 45.494 -54.480 -67.217 1.00 1.14 H new ATOM 0 HG23 THR A 117 46.279 -54.635 -65.628 1.00 1.14 H new ATOM 1759 N LYS A 118 43.304 -55.894 -63.112 1.00 14.31 N ATOM 1760 CA LYS A 118 43.513 -55.625 -61.694 1.00 50.22 C ATOM 1761 C LYS A 118 43.434 -56.912 -60.879 1.00 11.51 C ATOM 1762 O LYS A 118 42.583 -57.766 -61.128 1.00 71.13 O ATOM 1763 CB LYS A 118 42.475 -54.622 -61.186 1.00 2.44 C ATOM 1764 CG LYS A 118 42.515 -54.415 -59.681 1.00 44.34 C ATOM 1765 CD LYS A 118 41.263 -54.953 -59.011 1.00 14.22 C ATOM 1766 CE LYS A 118 40.156 -53.910 -58.978 1.00 1.40 C ATOM 1767 NZ LYS A 118 39.688 -53.642 -57.590 1.00 54.41 N ATOM 0 H LYS A 118 42.515 -56.508 -63.312 1.00 14.31 H new ATOM 0 HA LYS A 118 44.509 -55.200 -61.573 1.00 50.22 H new ATOM 0 HB2 LYS A 118 42.635 -53.664 -61.681 1.00 2.44 H new ATOM 0 HB3 LYS A 118 41.480 -54.965 -61.471 1.00 2.44 H new ATOM 0 HG2 LYS A 118 43.392 -54.912 -59.268 1.00 44.34 H new ATOM 0 HG3 LYS A 118 42.618 -53.352 -59.462 1.00 44.34 H new ATOM 0 HD2 LYS A 118 40.915 -55.838 -59.545 1.00 14.22 H new ATOM 0 HD3 LYS A 118 41.499 -55.267 -57.994 1.00 14.22 H new ATOM 0 HE2 LYS A 118 40.516 -52.984 -59.425 1.00 1.40 H new ATOM 0 HE3 LYS A 118 39.317 -54.251 -59.585 1.00 1.40 H new ATOM 0 HZ1 LYS A 118 38.934 -52.926 -57.610 1.00 54.41 H new ATOM 0 HZ2 LYS A 118 39.320 -54.520 -57.172 1.00 54.41 H new ATOM 0 HZ3 LYS A 118 40.482 -53.292 -57.017 1.00 54.41 H new ATOM 1781 N THR A 119 44.326 -57.044 -59.902 1.00 14.53 N ATOM 1782 CA THR A 119 44.356 -58.225 -59.050 1.00 24.44 C ATOM 1783 C THR A 119 42.988 -58.495 -58.434 1.00 61.31 C ATOM 1784 O THR A 119 42.138 -57.610 -58.338 1.00 41.25 O ATOM 1785 CB THR A 119 45.394 -58.077 -57.921 1.00 22.41 C ATOM 1786 OG1 THR A 119 45.786 -56.706 -57.793 1.00 23.23 O ATOM 1787 CG2 THR A 119 46.619 -58.937 -58.196 1.00 11.21 C ATOM 0 H THR A 119 45.037 -56.347 -59.682 1.00 14.53 H new ATOM 0 HA THR A 119 44.637 -59.065 -59.685 1.00 24.44 H new ATOM 0 HB THR A 119 44.936 -58.412 -56.990 1.00 22.41 H new ATOM 0 HG1 THR A 119 46.445 -56.620 -57.072 1.00 23.23 H new ATOM 0 HG21 THR A 119 47.338 -58.816 -57.386 1.00 11.21 H new ATOM 0 HG22 THR A 119 46.321 -59.983 -58.264 1.00 11.21 H new ATOM 0 HG23 THR A 119 47.077 -58.628 -59.136 1.00 11.21 H new