USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 610 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 105 HIS : no HD1:sc= 0.225 K(o=0.6,f=-1.3) USER MOD Set 1.2: A 119 CYS SG : rot 41:sc= 0.377 USER MOD Set 2.1: A 52 LYS NZ :NH3+ 180:sc= 1.39 (180deg=1.21) USER MOD Set 2.2: A 64 SER OG : rot 170:sc= 0.169 USER MOD Set 3.1: A 40 CYS SG : rot 157:sc= -2.96! USER MOD Set 3.2: A 43 CYS SG : rot -16:sc= -6.88! USER MOD Set 3.3: A 45 SER OG : rot 103:sc= 1.35 USER MOD Set 3.4: A 96 CYS SG : rot -156:sc= -1.32! USER MOD Set 3.5: A 98 GLN : amide:sc= 1.01 K(o=-9.8,f=-12) USER MOD Set 3.6: A 99 CYS SG : rot -34:sc= -0.951! USER MOD Set 4.1: A 38 TYR OH : rot 30:sc= 0.887 USER MOD Set 4.2: A 53 LYS NZ :NH3+ -179:sc= 1.03 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 27:sc= 0.248 USER MOD Single : A 37 MET CE :methyl 170:sc= 0 (180deg=-0.118) USER MOD Single : A 39 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.374 USER MOD Single : A 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot -60:sc= 1.23 USER MOD Single : A 85 THR OG1 : rot -46:sc= 0.315 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= 0.655 (180deg=0.236) USER MOD Single : A 102 HIS : no HD1:sc=-0.00996 K(o=-0.01,f=-1) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc=0.000166 USER MOD Single : A 116 GLN : amide:sc= 0.323 K(o=0.32,f=-2.6!) USER MOD Single : A 121 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.4!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 163:sc= 0.209 (180deg=0.121) USER MOD Single : A 128 LYS NZ :NH3+ 140:sc= 0.815 (180deg=-0.368) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 44.803 44.204 47.464 1.00 0.00 N ATOM 559 CA THR A 35 45.005 42.840 47.955 1.00 0.00 C ATOM 560 C THR A 35 44.936 41.853 46.799 1.00 0.00 C ATOM 561 O THR A 35 44.391 42.153 45.734 1.00 0.00 O ATOM 562 CB THR A 35 43.934 42.518 49.010 1.00 0.00 C ATOM 563 OG1 THR A 35 43.971 43.510 49.999 1.00 0.00 O ATOM 564 CG2 THR A 35 44.099 41.186 49.735 1.00 0.00 C ATOM 0 HA THR A 35 45.991 42.757 48.413 1.00 0.00 H new ATOM 0 HB THR A 35 42.998 42.468 48.453 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.308 44.345 49.612 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.291 41.061 50.455 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.069 40.372 49.011 1.00 0.00 H new ATOM 0 HG23 THR A 35 45.056 41.172 50.257 1.00 0.00 H new ATOM 572 N GLY A 36 45.434 40.644 47.024 1.00 0.00 N ATOM 573 CA GLY A 36 45.347 39.550 46.052 1.00 0.00 C ATOM 574 C GLY A 36 45.937 38.233 46.542 1.00 0.00 C ATOM 575 O GLY A 36 46.119 38.038 47.743 1.00 0.00 O ATOM 0 H GLY A 36 45.913 40.389 47.888 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.300 39.392 45.792 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.861 39.848 45.138 1.00 0.00 H new ATOM 579 N MET A 37 46.264 37.332 45.616 1.00 0.00 N ATOM 580 CA MET A 37 46.893 36.042 45.910 1.00 0.00 C ATOM 581 C MET A 37 47.766 35.528 44.767 1.00 0.00 C ATOM 582 O MET A 37 47.559 35.853 43.600 1.00 0.00 O ATOM 583 CB MET A 37 45.838 34.995 46.308 1.00 0.00 C ATOM 584 CG MET A 37 44.908 34.644 45.143 1.00 0.00 C ATOM 585 SD MET A 37 43.595 33.445 45.505 1.00 0.00 S ATOM 586 CE MET A 37 42.590 34.375 46.697 1.00 0.00 C ATOM 0 H MET A 37 46.096 37.480 44.621 1.00 0.00 H new ATOM 0 HA MET A 37 47.559 36.209 46.756 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.338 34.092 46.657 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.247 35.375 47.141 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.444 35.563 44.785 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.514 34.253 44.326 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.655 33.844 46.877 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.137 34.475 47.635 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.374 35.365 46.296 1.00 0.00 H new ATOM 596 N TYR A 38 48.707 34.678 45.143 1.00 0.00 N ATOM 597 CA TYR A 38 49.668 33.971 44.316 1.00 0.00 C ATOM 598 C TYR A 38 49.274 32.498 44.154 1.00 0.00 C ATOM 599 O TYR A 38 48.806 31.833 45.087 1.00 0.00 O ATOM 600 CB TYR A 38 51.073 34.101 44.915 1.00 0.00 C ATOM 601 CG TYR A 38 51.709 35.470 44.760 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.476 35.755 43.614 1.00 0.00 C ATOM 603 CD2 TYR A 38 51.560 36.447 45.761 1.00 0.00 C ATOM 604 CE1 TYR A 38 53.092 37.010 43.462 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.186 37.701 45.623 1.00 0.00 C ATOM 606 CZ TYR A 38 52.949 37.986 44.469 1.00 0.00 C ATOM 607 OH TYR A 38 53.558 39.194 44.323 1.00 0.00 O ATOM 0 H TYR A 38 48.828 34.444 46.129 1.00 0.00 H new ATOM 0 HA TYR A 38 49.671 34.422 43.324 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.024 33.857 45.976 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.722 33.360 44.448 1.00 0.00 H new ATOM 0 HD1 TYR A 38 52.592 35.004 42.846 1.00 0.00 H new ATOM 0 HD2 TYR A 38 50.965 36.235 46.637 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.672 37.225 42.577 1.00 0.00 H new ATOM 0 HE2 TYR A 38 52.083 38.445 46.399 1.00 0.00 H new ATOM 0 HH TYR A 38 53.625 39.413 43.370 1.00 0.00 H new ATOM 617 N HIS A 39 49.482 32.006 42.941 1.00 0.00 N ATOM 618 CA HIS A 39 49.195 30.652 42.490 1.00 0.00 C ATOM 619 C HIS A 39 50.261 30.170 41.489 1.00 0.00 C ATOM 620 O HIS A 39 50.950 30.976 40.861 1.00 0.00 O ATOM 621 CB HIS A 39 47.792 30.617 41.858 1.00 0.00 C ATOM 622 CG HIS A 39 47.592 31.561 40.691 1.00 0.00 C ATOM 623 ND1 HIS A 39 46.811 32.696 40.686 1.00 0.00 N ATOM 624 CD2 HIS A 39 48.106 31.426 39.429 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.848 33.226 39.451 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.631 32.488 38.651 1.00 0.00 N ATOM 0 H HIS A 39 49.882 32.579 42.198 1.00 0.00 H new ATOM 0 HA HIS A 39 49.220 29.976 43.344 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.586 29.600 41.523 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.057 30.854 42.628 1.00 0.00 H new ATOM 0 HD2 HIS A 39 48.763 30.638 39.093 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.322 34.119 39.147 1.00 0.00 H new ATOM 0 HE2 HIS A 39 47.840 32.666 37.668 1.00 0.00 H new ATOM 634 N CYS A 40 50.397 28.859 41.320 1.00 0.00 N ATOM 635 CA CYS A 40 51.456 28.278 40.525 1.00 0.00 C ATOM 636 C CYS A 40 51.300 28.450 38.997 1.00 0.00 C ATOM 637 O CYS A 40 50.252 28.796 38.449 1.00 0.00 O ATOM 638 CB CYS A 40 51.542 26.822 40.965 1.00 0.00 C ATOM 639 SG CYS A 40 53.242 26.164 40.879 1.00 0.00 S ATOM 0 H CYS A 40 49.769 28.172 41.736 1.00 0.00 H new ATOM 0 HA CYS A 40 52.390 28.810 40.705 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.173 26.732 41.987 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.889 26.217 40.336 1.00 0.00 H new ATOM 0 HG CYS A 40 53.354 25.146 41.679 1.00 0.00 H new ATOM 644 N VAL A 41 52.399 28.125 38.326 1.00 0.00 N ATOM 645 CA VAL A 41 52.508 27.917 36.868 1.00 0.00 C ATOM 646 C VAL A 41 53.252 26.610 36.531 1.00 0.00 C ATOM 647 O VAL A 41 53.508 26.301 35.364 1.00 0.00 O ATOM 648 CB VAL A 41 53.116 29.172 36.212 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.634 29.270 36.393 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.770 29.309 34.725 1.00 0.00 C ATOM 0 H VAL A 41 53.292 27.990 38.801 1.00 0.00 H new ATOM 0 HA VAL A 41 51.513 27.784 36.443 1.00 0.00 H new ATOM 0 HB VAL A 41 52.651 30.001 36.746 1.00 0.00 H new ATOM 0 HG11 VAL A 41 55.001 30.175 35.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.872 29.306 37.456 1.00 0.00 H new ATOM 0 HG13 VAL A 41 55.111 28.399 35.943 1.00 0.00 H new ATOM 0 HG21 VAL A 41 53.230 30.213 34.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 53.146 28.441 34.183 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.688 29.370 34.607 1.00 0.00 H new ATOM 660 N CYS A 42 53.606 25.835 37.565 1.00 0.00 N ATOM 661 CA CYS A 42 54.392 24.611 37.467 1.00 0.00 C ATOM 662 C CYS A 42 53.585 23.393 37.948 1.00 0.00 C ATOM 663 O CYS A 42 53.546 22.382 37.238 1.00 0.00 O ATOM 664 CB CYS A 42 55.693 24.822 38.250 1.00 0.00 C ATOM 665 SG CYS A 42 56.928 23.609 37.709 1.00 0.00 S ATOM 0 H CYS A 42 53.340 26.057 38.525 1.00 0.00 H new ATOM 0 HA CYS A 42 54.643 24.395 36.428 1.00 0.00 H new ATOM 0 HB2 CYS A 42 56.066 25.833 38.090 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.508 24.716 39.319 1.00 0.00 H new ATOM 0 HG CYS A 42 58.032 23.789 38.371 1.00 0.00 H new ATOM 671 N CYS A 43 52.877 23.490 39.076 1.00 0.00 N ATOM 672 CA CYS A 43 51.805 22.605 39.487 1.00 0.00 C ATOM 673 C CYS A 43 50.476 23.172 38.945 1.00 0.00 C ATOM 674 O CYS A 43 50.212 23.091 37.743 1.00 0.00 O ATOM 675 CB CYS A 43 51.883 22.426 41.019 1.00 0.00 C ATOM 676 SG CYS A 43 52.123 23.984 41.896 1.00 0.00 S ATOM 0 H CYS A 43 53.052 24.229 39.757 1.00 0.00 H new ATOM 0 HA CYS A 43 51.888 21.601 39.071 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.966 21.954 41.372 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.703 21.749 41.259 1.00 0.00 H new ATOM 0 HG CYS A 43 52.522 24.896 41.060 1.00 0.00 H new ATOM 681 N ASP A 44 49.677 23.777 39.822 1.00 0.00 N ATOM 682 CA ASP A 44 48.336 24.319 39.536 1.00 0.00 C ATOM 683 C ASP A 44 47.881 25.418 40.510 1.00 0.00 C ATOM 684 O ASP A 44 47.344 26.447 40.093 1.00 0.00 O ATOM 685 CB ASP A 44 47.290 23.190 39.603 1.00 0.00 C ATOM 686 CG ASP A 44 47.350 22.212 38.430 1.00 0.00 C ATOM 687 OD1 ASP A 44 47.061 22.656 37.292 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.645 21.021 38.665 1.00 0.00 O ATOM 0 H ASP A 44 49.952 23.912 40.795 1.00 0.00 H new ATOM 0 HA ASP A 44 48.411 24.759 38.542 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.429 22.636 40.531 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.295 23.633 39.642 1.00 0.00 H new ATOM 693 N SER A 45 47.992 25.150 41.809 1.00 0.00 N ATOM 694 CA SER A 45 47.100 25.689 42.829 1.00 0.00 C ATOM 695 C SER A 45 47.463 27.058 43.435 1.00 0.00 C ATOM 696 O SER A 45 48.636 27.433 43.490 1.00 0.00 O ATOM 697 CB SER A 45 46.888 24.622 43.910 1.00 0.00 C ATOM 698 OG SER A 45 47.645 23.429 43.755 1.00 0.00 O ATOM 0 H SER A 45 48.718 24.541 42.187 1.00 0.00 H new ATOM 0 HA SER A 45 46.172 25.920 42.307 1.00 0.00 H new ATOM 0 HB2 SER A 45 47.128 25.060 44.879 1.00 0.00 H new ATOM 0 HB3 SER A 45 45.830 24.359 43.933 1.00 0.00 H new ATOM 0 HG SER A 45 48.403 23.440 44.376 1.00 0.00 H new ATOM 704 N PRO A 46 46.466 27.807 43.958 1.00 0.00 N ATOM 705 CA PRO A 46 46.713 28.917 44.874 1.00 0.00 C ATOM 706 C PRO A 46 47.259 28.415 46.209 1.00 0.00 C ATOM 707 O PRO A 46 46.761 27.445 46.782 1.00 0.00 O ATOM 708 CB PRO A 46 45.384 29.645 45.044 1.00 0.00 C ATOM 709 CG PRO A 46 44.354 28.540 44.813 1.00 0.00 C ATOM 710 CD PRO A 46 45.029 27.604 43.808 1.00 0.00 C ATOM 0 HA PRO A 46 47.469 29.594 44.477 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.289 30.084 46.037 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.273 30.456 44.325 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.112 28.021 45.740 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.420 28.941 44.419 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.761 26.566 44.003 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.709 27.830 42.791 1.00 0.00 H new ATOM 718 N LEU A 47 48.287 29.109 46.694 1.00 0.00 N ATOM 719 CA LEU A 47 49.109 28.647 47.823 1.00 0.00 C ATOM 720 C LEU A 47 49.506 29.755 48.809 1.00 0.00 C ATOM 721 O LEU A 47 49.816 29.468 49.963 1.00 0.00 O ATOM 722 CB LEU A 47 50.362 27.930 47.260 1.00 0.00 C ATOM 723 CG LEU A 47 50.656 26.534 47.845 1.00 0.00 C ATOM 724 CD1 LEU A 47 50.809 26.523 49.369 1.00 0.00 C ATOM 725 CD2 LEU A 47 49.573 25.527 47.463 1.00 0.00 C ATOM 0 H LEU A 47 48.578 30.011 46.317 1.00 0.00 H new ATOM 0 HA LEU A 47 48.499 27.960 48.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.248 27.834 46.180 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.230 28.566 47.434 1.00 0.00 H new ATOM 0 HG LEU A 47 51.613 26.248 47.408 1.00 0.00 H new ATOM 0 HD11 LEU A 47 51.014 25.507 49.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 51.634 27.175 49.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 49.888 26.879 49.830 1.00 0.00 H new ATOM 0 HD21 LEU A 47 49.813 24.554 47.892 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.610 25.865 47.846 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.522 25.442 46.378 1.00 0.00 H new ATOM 737 N PHE A 48 49.509 31.016 48.368 1.00 0.00 N ATOM 738 CA PHE A 48 49.905 32.148 49.219 1.00 0.00 C ATOM 739 C PHE A 48 49.084 33.393 48.883 1.00 0.00 C ATOM 740 O PHE A 48 49.136 33.881 47.756 1.00 0.00 O ATOM 741 CB PHE A 48 51.434 32.344 49.075 1.00 0.00 C ATOM 742 CG PHE A 48 52.015 33.751 49.103 1.00 0.00 C ATOM 743 CD1 PHE A 48 51.688 34.670 50.119 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.929 34.135 48.101 1.00 0.00 C ATOM 745 CE1 PHE A 48 52.221 35.972 50.091 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.479 35.428 48.089 1.00 0.00 C ATOM 747 CZ PHE A 48 53.110 36.355 49.075 1.00 0.00 C ATOM 0 H PHE A 48 49.240 31.282 47.421 1.00 0.00 H new ATOM 0 HA PHE A 48 49.692 31.946 50.269 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.913 31.777 49.873 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.735 31.885 48.133 1.00 0.00 H new ATOM 0 HD1 PHE A 48 51.027 34.375 50.921 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.210 33.428 47.334 1.00 0.00 H new ATOM 0 HE1 PHE A 48 51.944 36.681 50.857 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.185 35.708 47.321 1.00 0.00 H new ATOM 0 HZ PHE A 48 53.508 37.359 49.052 1.00 0.00 H new ATOM 757 N SER A 49 48.336 33.953 49.841 1.00 0.00 N ATOM 758 CA SER A 49 47.667 35.231 49.627 1.00 0.00 C ATOM 759 C SER A 49 48.571 36.422 49.942 1.00 0.00 C ATOM 760 O SER A 49 49.243 36.514 50.971 1.00 0.00 O ATOM 761 CB SER A 49 46.288 35.301 50.271 1.00 0.00 C ATOM 762 OG SER A 49 46.349 35.265 51.669 1.00 0.00 O ATOM 0 H SER A 49 48.183 33.542 50.762 1.00 0.00 H new ATOM 0 HA SER A 49 47.467 35.301 48.558 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.789 36.217 49.955 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.681 34.468 49.915 1.00 0.00 H new ATOM 0 HG SER A 49 45.442 35.314 52.037 1.00 0.00 H new ATOM 768 N SER A 50 48.524 37.386 49.028 1.00 0.00 N ATOM 769 CA SER A 50 49.279 38.649 49.032 1.00 0.00 C ATOM 770 C SER A 50 48.897 39.565 50.191 1.00 0.00 C ATOM 771 O SER A 50 49.515 40.592 50.426 1.00 0.00 O ATOM 772 CB SER A 50 49.003 39.385 47.730 1.00 0.00 C ATOM 773 OG SER A 50 50.179 39.960 47.206 1.00 0.00 O ATOM 0 H SER A 50 47.921 37.308 48.209 1.00 0.00 H new ATOM 0 HA SER A 50 50.334 38.397 49.143 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.578 38.694 47.002 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.260 40.164 47.901 1.00 0.00 H new ATOM 0 HG SER A 50 49.971 40.425 46.369 1.00 0.00 H new ATOM 779 N GLU A 51 47.883 39.170 50.949 1.00 0.00 N ATOM 780 CA GLU A 51 47.498 39.792 52.212 1.00 0.00 C ATOM 781 C GLU A 51 48.629 39.786 53.252 1.00 0.00 C ATOM 782 O GLU A 51 48.649 40.611 54.163 1.00 0.00 O ATOM 783 CB GLU A 51 46.290 39.050 52.801 1.00 0.00 C ATOM 784 CG GLU A 51 45.002 39.866 52.771 1.00 0.00 C ATOM 785 CD GLU A 51 44.244 39.793 54.096 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.796 40.261 55.124 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.069 39.362 54.097 1.00 0.00 O ATOM 0 H GLU A 51 47.286 38.383 50.695 1.00 0.00 H new ATOM 0 HA GLU A 51 47.256 40.831 51.990 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.137 38.124 52.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.511 38.772 53.832 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.238 40.906 52.545 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.362 39.503 51.967 1.00 0.00 H new ATOM 794 N LYS A 52 49.581 38.854 53.118 1.00 0.00 N ATOM 795 CA LYS A 52 50.816 38.800 53.914 1.00 0.00 C ATOM 796 C LYS A 52 51.943 39.686 53.376 1.00 0.00 C ATOM 797 O LYS A 52 53.020 39.685 53.978 1.00 0.00 O ATOM 798 CB LYS A 52 51.270 37.337 54.029 1.00 0.00 C ATOM 799 CG LYS A 52 50.240 36.428 54.713 1.00 0.00 C ATOM 800 CD LYS A 52 49.875 36.834 56.144 1.00 0.00 C ATOM 801 CE LYS A 52 51.088 37.051 57.049 1.00 0.00 C ATOM 802 NZ LYS A 52 50.784 36.840 58.486 1.00 0.00 N ATOM 0 H LYS A 52 49.513 38.098 52.437 1.00 0.00 H new ATOM 0 HA LYS A 52 50.585 39.206 54.899 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.478 36.950 53.031 1.00 0.00 H new ATOM 0 HB3 LYS A 52 52.205 37.298 54.588 1.00 0.00 H new ATOM 0 HG2 LYS A 52 49.331 36.415 54.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.628 35.409 54.727 1.00 0.00 H new ATOM 0 HD2 LYS A 52 49.287 37.751 56.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.240 36.063 56.580 1.00 0.00 H new ATOM 0 HE2 LYS A 52 51.885 36.371 56.748 1.00 0.00 H new ATOM 0 HE3 LYS A 52 51.463 38.065 56.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 51.643 37.001 59.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 50.043 37.506 58.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 50.452 35.865 58.631 1.00 0.00 H new ATOM 816 N LYS A 53 51.741 40.396 52.257 1.00 0.00 N ATOM 817 CA LYS A 53 52.762 41.261 51.629 1.00 0.00 C ATOM 818 C LYS A 53 52.863 42.608 52.349 1.00 0.00 C ATOM 819 O LYS A 53 51.915 43.389 52.359 1.00 0.00 O ATOM 820 CB LYS A 53 52.445 41.466 50.140 1.00 0.00 C ATOM 821 CG LYS A 53 53.501 42.269 49.352 1.00 0.00 C ATOM 822 CD LYS A 53 52.948 42.749 47.997 1.00 0.00 C ATOM 823 CE LYS A 53 52.727 41.608 47.002 1.00 0.00 C ATOM 824 NZ LYS A 53 53.953 41.301 46.237 1.00 0.00 N ATOM 0 H LYS A 53 50.854 40.389 51.753 1.00 0.00 H new ATOM 0 HA LYS A 53 53.728 40.763 51.715 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.329 40.489 49.671 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.485 41.976 50.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 53.820 43.129 49.941 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.383 41.650 49.188 1.00 0.00 H new ATOM 0 HD2 LYS A 53 52.004 43.269 48.160 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.640 43.472 47.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.400 40.717 47.538 1.00 0.00 H new ATOM 0 HE3 LYS A 53 51.926 41.877 46.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 53.758 40.534 45.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 54.260 42.149 45.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 54.705 41.003 46.891 1.00 0.00 H new ATOM 838 N TYR A 54 54.059 42.943 52.825 1.00 0.00 N ATOM 839 CA TYR A 54 54.371 44.281 53.352 1.00 0.00 C ATOM 840 C TYR A 54 54.595 45.291 52.214 1.00 0.00 C ATOM 841 O TYR A 54 55.706 45.734 51.936 1.00 0.00 O ATOM 842 CB TYR A 54 55.511 44.220 54.366 1.00 0.00 C ATOM 843 CG TYR A 54 55.165 43.482 55.649 1.00 0.00 C ATOM 844 CD1 TYR A 54 54.094 43.932 56.446 1.00 0.00 C ATOM 845 CD2 TYR A 54 55.919 42.363 56.059 1.00 0.00 C ATOM 846 CE1 TYR A 54 53.752 43.251 57.628 1.00 0.00 C ATOM 847 CE2 TYR A 54 55.587 41.687 57.250 1.00 0.00 C ATOM 848 CZ TYR A 54 54.492 42.122 58.027 1.00 0.00 C ATOM 849 OH TYR A 54 54.141 41.458 59.160 1.00 0.00 O ATOM 0 H TYR A 54 54.847 42.296 52.859 1.00 0.00 H new ATOM 0 HA TYR A 54 53.507 44.652 53.903 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.370 43.735 53.902 1.00 0.00 H new ATOM 0 HB3 TYR A 54 55.815 45.237 54.616 1.00 0.00 H new ATOM 0 HD1 TYR A 54 53.532 44.805 56.148 1.00 0.00 H new ATOM 0 HD2 TYR A 54 56.751 42.024 55.460 1.00 0.00 H new ATOM 0 HE1 TYR A 54 52.923 43.594 58.229 1.00 0.00 H new ATOM 0 HE2 TYR A 54 56.171 40.836 57.568 1.00 0.00 H new ATOM 0 HH TYR A 54 53.175 41.544 59.304 1.00 0.00 H new ATOM 933 N PRO A 61 59.148 42.303 47.015 1.00 0.00 N ATOM 934 CA PRO A 61 58.703 40.905 47.039 1.00 0.00 C ATOM 935 C PRO A 61 59.127 40.112 48.287 1.00 0.00 C ATOM 936 O PRO A 61 60.124 39.391 48.355 1.00 0.00 O ATOM 937 CB PRO A 61 59.210 40.284 45.756 1.00 0.00 C ATOM 938 CG PRO A 61 60.488 41.072 45.470 1.00 0.00 C ATOM 939 CD PRO A 61 60.106 42.480 45.929 1.00 0.00 C ATOM 0 HA PRO A 61 57.615 40.873 47.102 1.00 0.00 H new ATOM 0 HB2 PRO A 61 59.411 39.219 45.876 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.486 40.383 44.947 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.341 40.680 46.024 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.755 41.046 44.414 1.00 0.00 H new ATOM 0 HD2 PRO A 61 60.983 43.031 46.268 1.00 0.00 H new ATOM 0 HD3 PRO A 61 59.667 43.051 45.111 1.00 0.00 H new ATOM 947 N SER A 62 58.234 40.207 49.254 1.00 0.00 N ATOM 948 CA SER A 62 58.306 39.651 50.599 1.00 0.00 C ATOM 949 C SER A 62 56.912 39.315 51.142 1.00 0.00 C ATOM 950 O SER A 62 55.895 39.795 50.636 1.00 0.00 O ATOM 951 CB SER A 62 58.977 40.660 51.512 1.00 0.00 C ATOM 952 OG SER A 62 60.378 40.559 51.459 1.00 0.00 O ATOM 0 H SER A 62 57.363 40.719 49.109 1.00 0.00 H new ATOM 0 HA SER A 62 58.883 38.727 50.562 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.674 41.667 51.226 1.00 0.00 H new ATOM 0 HB3 SER A 62 58.640 40.504 52.537 1.00 0.00 H new ATOM 0 HG SER A 62 60.652 39.663 51.745 1.00 0.00 H new ATOM 958 N PHE A 63 56.866 38.504 52.198 1.00 0.00 N ATOM 959 CA PHE A 63 55.678 38.043 52.892 1.00 0.00 C ATOM 960 C PHE A 63 56.054 37.685 54.330 1.00 0.00 C ATOM 961 O PHE A 63 57.154 37.222 54.621 1.00 0.00 O ATOM 962 CB PHE A 63 55.017 36.880 52.141 1.00 0.00 C ATOM 963 CG PHE A 63 55.902 35.709 51.742 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.104 34.637 52.631 1.00 0.00 C ATOM 965 CD2 PHE A 63 56.469 35.657 50.453 1.00 0.00 C ATOM 966 CE1 PHE A 63 56.847 33.514 52.227 1.00 0.00 C ATOM 967 CE2 PHE A 63 57.229 34.542 50.056 1.00 0.00 C ATOM 968 CZ PHE A 63 57.414 33.466 50.942 1.00 0.00 C ATOM 0 H PHE A 63 57.719 38.130 52.615 1.00 0.00 H new ATOM 0 HA PHE A 63 54.932 38.837 52.924 1.00 0.00 H new ATOM 0 HB2 PHE A 63 54.209 36.494 52.762 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.560 37.280 51.236 1.00 0.00 H new ATOM 0 HD1 PHE A 63 55.687 34.677 53.626 1.00 0.00 H new ATOM 0 HD2 PHE A 63 56.319 36.477 49.767 1.00 0.00 H new ATOM 0 HE1 PHE A 63 56.983 32.685 52.906 1.00 0.00 H new ATOM 0 HE2 PHE A 63 57.670 34.512 49.071 1.00 0.00 H new ATOM 0 HZ PHE A 63 57.990 32.605 50.636 1.00 0.00 H new ATOM 978 N SER A 64 55.126 37.937 55.240 1.00 0.00 N ATOM 979 CA SER A 64 55.177 37.424 56.620 1.00 0.00 C ATOM 980 C SER A 64 54.859 35.921 56.691 1.00 0.00 C ATOM 981 O SER A 64 55.428 35.226 57.525 1.00 0.00 O ATOM 982 CB SER A 64 54.265 38.265 57.531 1.00 0.00 C ATOM 983 OG SER A 64 53.694 37.524 58.599 1.00 0.00 O ATOM 0 H SER A 64 54.303 38.509 55.049 1.00 0.00 H new ATOM 0 HA SER A 64 56.199 37.525 56.986 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.840 39.095 57.942 1.00 0.00 H new ATOM 0 HB3 SER A 64 53.465 38.698 56.931 1.00 0.00 H new ATOM 0 HG SER A 64 53.261 38.138 59.228 1.00 0.00 H new ATOM 989 N GLU A 65 53.971 35.416 55.830 1.00 0.00 N ATOM 990 CA GLU A 65 53.587 33.997 55.738 1.00 0.00 C ATOM 991 C GLU A 65 53.094 33.652 54.327 1.00 0.00 C ATOM 992 O GLU A 65 52.670 34.536 53.584 1.00 0.00 O ATOM 993 CB GLU A 65 52.432 33.651 56.687 1.00 0.00 C ATOM 994 CG GLU A 65 52.728 33.793 58.174 1.00 0.00 C ATOM 995 CD GLU A 65 51.514 33.338 58.986 1.00 0.00 C ATOM 996 OE1 GLU A 65 51.405 32.134 59.326 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.664 34.212 59.284 1.00 0.00 O ATOM 0 H GLU A 65 53.481 36.000 55.153 1.00 0.00 H new ATOM 0 HA GLU A 65 54.482 33.433 56.001 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.583 34.289 56.443 1.00 0.00 H new ATOM 0 HB3 GLU A 65 52.124 32.623 56.494 1.00 0.00 H new ATOM 0 HG2 GLU A 65 53.600 33.196 58.440 1.00 0.00 H new ATOM 0 HG3 GLU A 65 52.968 34.830 58.410 1.00 0.00 H new ATOM 1004 N ALA A 66 53.005 32.358 54.021 1.00 0.00 N ATOM 1005 CA ALA A 66 52.005 31.852 53.087 1.00 0.00 C ATOM 1006 C ALA A 66 50.659 31.679 53.828 1.00 0.00 C ATOM 1007 O ALA A 66 50.407 30.636 54.437 1.00 0.00 O ATOM 1008 CB ALA A 66 52.529 30.549 52.469 1.00 0.00 C ATOM 0 H ALA A 66 53.617 31.640 54.409 1.00 0.00 H new ATOM 0 HA ALA A 66 51.827 32.552 52.271 1.00 0.00 H new ATOM 0 HB1 ALA A 66 51.792 30.157 51.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.463 30.746 51.942 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.704 29.817 53.257 1.00 0.00 H new ATOM 1162 N GLY A 78 50.978 20.853 50.757 1.00 0.00 N ATOM 1163 CA GLY A 78 51.833 20.241 49.743 1.00 0.00 C ATOM 1164 C GLY A 78 53.186 20.947 49.621 1.00 0.00 C ATOM 1165 O GLY A 78 53.789 20.916 48.548 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.994 19.192 49.992 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.325 20.266 48.779 1.00 0.00 H new ATOM 1169 N ILE A 79 53.649 21.623 50.684 1.00 0.00 N ATOM 1170 CA ILE A 79 54.978 22.240 50.733 1.00 0.00 C ATOM 1171 C ILE A 79 55.854 21.652 51.842 1.00 0.00 C ATOM 1172 O ILE A 79 55.387 21.096 52.836 1.00 0.00 O ATOM 1173 CB ILE A 79 54.922 23.784 50.737 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.648 24.448 52.101 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.942 24.307 49.668 1.00 0.00 C ATOM 1176 CD1 ILE A 79 55.875 24.660 52.996 1.00 0.00 C ATOM 0 H ILE A 79 53.106 21.756 51.537 1.00 0.00 H new ATOM 0 HA ILE A 79 55.476 21.978 49.800 1.00 0.00 H new ATOM 0 HB ILE A 79 55.940 24.084 50.490 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.178 25.416 51.925 1.00 0.00 H new ATOM 0 HG13 ILE A 79 53.927 23.837 52.644 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.923 25.397 49.694 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.266 23.973 48.682 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.943 23.922 49.871 1.00 0.00 H new ATOM 0 HD11 ILE A 79 55.568 25.133 53.929 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.338 23.697 53.213 1.00 0.00 H new ATOM 0 HD13 ILE A 79 56.593 25.301 52.484 1.00 0.00 H new ATOM 1188 N LEU A 80 57.156 21.812 51.653 1.00 0.00 N ATOM 1189 CA LEU A 80 58.261 21.276 52.438 1.00 0.00 C ATOM 1190 C LEU A 80 59.222 22.419 52.801 1.00 0.00 C ATOM 1191 O LEU A 80 59.017 23.577 52.430 1.00 0.00 O ATOM 1192 CB LEU A 80 58.943 20.152 51.646 1.00 0.00 C ATOM 1193 CG LEU A 80 58.696 18.761 52.239 1.00 0.00 C ATOM 1194 CD1 LEU A 80 57.300 18.209 51.950 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.721 17.794 51.673 1.00 0.00 C ATOM 0 H LEU A 80 57.498 22.373 50.873 1.00 0.00 H new ATOM 0 HA LEU A 80 57.905 20.843 53.373 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.583 20.171 50.617 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.016 20.340 51.611 1.00 0.00 H new ATOM 0 HG LEU A 80 58.784 18.864 53.321 1.00 0.00 H new ATOM 0 HD11 LEU A 80 57.199 17.222 52.401 1.00 0.00 H new ATOM 0 HD12 LEU A 80 56.550 18.879 52.370 1.00 0.00 H new ATOM 0 HD13 LEU A 80 57.155 18.132 50.872 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.553 16.801 52.090 1.00 0.00 H new ATOM 0 HD22 LEU A 80 59.623 17.754 50.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.724 18.132 51.935 1.00 0.00 H new ATOM 1207 N ARG A 81 60.273 22.118 53.562 1.00 0.00 N ATOM 1208 CA ARG A 81 61.260 23.099 54.013 1.00 0.00 C ATOM 1209 C ARG A 81 62.695 22.589 53.883 1.00 0.00 C ATOM 1210 O ARG A 81 62.963 21.386 53.910 1.00 0.00 O ATOM 1211 CB ARG A 81 60.948 23.643 55.424 1.00 0.00 C ATOM 1212 CG ARG A 81 59.829 22.996 56.265 1.00 0.00 C ATOM 1213 CD ARG A 81 58.432 23.573 55.978 1.00 0.00 C ATOM 1214 NE ARG A 81 57.441 23.192 57.008 1.00 0.00 N ATOM 1215 CZ ARG A 81 56.293 23.803 57.246 1.00 0.00 C ATOM 1216 NH1 ARG A 81 55.875 24.812 56.540 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.511 23.458 58.221 1.00 0.00 N ATOM 0 H ARG A 81 60.466 21.171 53.888 1.00 0.00 H new ATOM 0 HA ARG A 81 61.179 23.949 53.335 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.868 23.584 56.006 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.705 24.700 55.318 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.816 21.923 56.074 1.00 0.00 H new ATOM 0 HG3 ARG A 81 60.058 23.129 57.322 1.00 0.00 H new ATOM 0 HD2 ARG A 81 58.495 24.660 55.923 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.091 23.224 55.003 1.00 0.00 H new ATOM 0 HE ARG A 81 57.664 22.383 57.588 1.00 0.00 H new ATOM 0 HH11 ARG A 81 56.440 25.162 55.767 1.00 0.00 H new ATOM 0 HH12 ARG A 81 54.982 25.253 56.760 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.774 22.689 58.838 1.00 0.00 H new ATOM 0 HH22 ARG A 81 54.633 23.955 58.371 1.00 0.00 H new ATOM 1231 N ARG A 82 63.619 23.535 53.765 1.00 0.00 N ATOM 1232 CA ARG A 82 65.068 23.335 53.716 1.00 0.00 C ATOM 1233 C ARG A 82 65.748 24.366 54.612 1.00 0.00 C ATOM 1234 O ARG A 82 65.774 25.551 54.317 1.00 0.00 O ATOM 1235 CB ARG A 82 65.572 23.362 52.263 1.00 0.00 C ATOM 1236 CG ARG A 82 66.613 22.258 52.019 1.00 0.00 C ATOM 1237 CD ARG A 82 65.950 20.871 51.877 1.00 0.00 C ATOM 1238 NE ARG A 82 66.649 19.837 52.666 1.00 0.00 N ATOM 1239 CZ ARG A 82 66.398 19.490 53.916 1.00 0.00 C ATOM 1240 NH1 ARG A 82 65.344 19.886 54.573 1.00 0.00 N ATOM 1241 NH2 ARG A 82 67.236 18.729 54.546 1.00 0.00 N ATOM 0 H ARG A 82 63.365 24.521 53.697 1.00 0.00 H new ATOM 0 HA ARG A 82 65.326 22.348 54.101 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.732 23.232 51.581 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.011 24.335 52.045 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.180 22.485 51.116 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.324 22.239 52.845 1.00 0.00 H new ATOM 0 HD2 ARG A 82 64.911 20.932 52.200 1.00 0.00 H new ATOM 0 HD3 ARG A 82 65.941 20.580 50.827 1.00 0.00 H new ATOM 0 HE ARG A 82 67.405 19.338 52.197 1.00 0.00 H new ATOM 0 HH11 ARG A 82 64.662 20.496 54.123 1.00 0.00 H new ATOM 0 HH12 ARG A 82 65.202 19.586 55.537 1.00 0.00 H new ATOM 0 HH21 ARG A 82 68.081 18.403 54.077 1.00 0.00 H new ATOM 0 HH22 ARG A 82 67.051 18.456 55.511 1.00 0.00 H new ATOM 1255 N LEU A 83 66.233 23.924 55.762 1.00 0.00 N ATOM 1256 CA LEU A 83 67.037 24.727 56.664 1.00 0.00 C ATOM 1257 C LEU A 83 68.527 24.580 56.351 1.00 0.00 C ATOM 1258 O LEU A 83 68.979 23.543 55.869 1.00 0.00 O ATOM 1259 CB LEU A 83 66.741 24.396 58.133 1.00 0.00 C ATOM 1260 CG LEU A 83 65.489 25.059 58.727 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.178 24.691 58.027 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.364 24.677 60.202 1.00 0.00 C ATOM 0 H LEU A 83 66.074 22.975 56.100 1.00 0.00 H new ATOM 0 HA LEU A 83 66.763 25.770 56.506 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.637 23.315 58.229 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.603 24.688 58.733 1.00 0.00 H new ATOM 0 HG LEU A 83 65.632 26.130 58.586 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.349 25.205 58.514 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.227 24.992 56.981 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.023 23.614 58.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 64.476 25.147 60.625 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.279 23.594 60.291 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.247 25.018 60.742 1.00 0.00 H new ATOM 1274 N ASP A 84 69.278 25.609 56.715 1.00 0.00 N ATOM 1275 CA ASP A 84 70.735 25.594 56.774 1.00 0.00 C ATOM 1276 C ASP A 84 71.178 26.424 57.975 1.00 0.00 C ATOM 1277 O ASP A 84 70.978 27.630 58.016 1.00 0.00 O ATOM 1278 CB ASP A 84 71.338 26.153 55.479 1.00 0.00 C ATOM 1279 CG ASP A 84 72.870 26.059 55.446 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.505 25.605 56.429 1.00 0.00 O ATOM 1281 OD2 ASP A 84 73.436 26.330 54.368 1.00 0.00 O ATOM 0 H ASP A 84 68.878 26.507 56.987 1.00 0.00 H new ATOM 0 HA ASP A 84 71.087 24.568 56.883 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.927 25.610 54.628 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.040 27.195 55.365 1.00 0.00 H new ATOM 1286 N THR A 85 71.776 25.780 58.967 1.00 0.00 N ATOM 1287 CA THR A 85 72.430 26.462 60.092 1.00 0.00 C ATOM 1288 C THR A 85 73.854 25.916 60.291 1.00 0.00 C ATOM 1289 O THR A 85 74.333 25.688 61.401 1.00 0.00 O ATOM 1290 CB THR A 85 71.527 26.455 61.330 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.141 27.248 62.311 1.00 0.00 O ATOM 1292 CG2 THR A 85 71.188 25.067 61.876 1.00 0.00 C ATOM 0 H THR A 85 71.825 24.763 59.021 1.00 0.00 H new ATOM 0 HA THR A 85 72.569 27.520 59.872 1.00 0.00 H new ATOM 0 HB THR A 85 70.560 26.860 61.032 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.092 27.019 62.369 1.00 0.00 H new ATOM 0 HG21 THR A 85 70.545 25.167 62.751 1.00 0.00 H new ATOM 0 HG22 THR A 85 70.670 24.491 61.109 1.00 0.00 H new ATOM 0 HG23 THR A 85 72.107 24.552 62.158 1.00 0.00 H new ATOM 1300 N SER A 86 74.512 25.627 59.164 1.00 0.00 N ATOM 1301 CA SER A 86 75.776 24.870 59.072 1.00 0.00 C ATOM 1302 C SER A 86 76.962 25.699 58.579 1.00 0.00 C ATOM 1303 O SER A 86 78.129 25.412 58.852 1.00 0.00 O ATOM 1304 CB SER A 86 75.534 23.658 58.166 1.00 0.00 C ATOM 1305 OG SER A 86 76.613 22.750 58.156 1.00 0.00 O ATOM 0 H SER A 86 74.169 25.924 58.250 1.00 0.00 H new ATOM 0 HA SER A 86 76.058 24.558 60.078 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.634 23.139 58.496 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.348 24.004 57.149 1.00 0.00 H new ATOM 0 HG SER A 86 76.402 21.998 57.564 1.00 0.00 H new ATOM 1311 N LEU A 87 76.628 26.827 57.964 1.00 0.00 N ATOM 1312 CA LEU A 87 77.533 27.852 57.430 1.00 0.00 C ATOM 1313 C LEU A 87 77.793 28.975 58.451 1.00 0.00 C ATOM 1314 O LEU A 87 78.119 30.108 58.097 1.00 0.00 O ATOM 1315 CB LEU A 87 76.998 28.352 56.078 1.00 0.00 C ATOM 1316 CG LEU A 87 76.822 27.276 54.989 1.00 0.00 C ATOM 1317 CD1 LEU A 87 76.324 27.927 53.698 1.00 0.00 C ATOM 1318 CD2 LEU A 87 78.121 26.529 54.673 1.00 0.00 C ATOM 0 H LEU A 87 75.650 27.072 57.812 1.00 0.00 H new ATOM 0 HA LEU A 87 78.514 27.413 57.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.035 28.834 56.245 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.676 29.117 55.700 1.00 0.00 H new ATOM 0 HG LEU A 87 76.102 26.556 55.378 1.00 0.00 H new ATOM 0 HD11 LEU A 87 76.201 27.164 52.930 1.00 0.00 H new ATOM 0 HD12 LEU A 87 75.367 28.415 53.882 1.00 0.00 H new ATOM 0 HD13 LEU A 87 77.049 28.667 53.361 1.00 0.00 H new ATOM 0 HD21 LEU A 87 77.934 25.785 53.899 1.00 0.00 H new ATOM 0 HD22 LEU A 87 78.871 27.237 54.321 1.00 0.00 H new ATOM 0 HD23 LEU A 87 78.484 26.033 55.573 1.00 0.00 H new ATOM 1330 N GLY A 88 77.583 28.660 59.733 1.00 0.00 N ATOM 1331 CA GLY A 88 77.802 29.530 60.897 1.00 0.00 C ATOM 1332 C GLY A 88 76.647 30.481 61.212 1.00 0.00 C ATOM 1333 O GLY A 88 76.604 31.058 62.300 1.00 0.00 O ATOM 0 H GLY A 88 77.236 27.740 60.003 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.988 28.905 61.770 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.704 30.119 60.728 1.00 0.00 H new ATOM 1337 N CYS A 89 75.693 30.609 60.292 1.00 0.00 N ATOM 1338 CA CYS A 89 74.522 31.479 60.406 1.00 0.00 C ATOM 1339 C CYS A 89 73.240 30.680 60.105 1.00 0.00 C ATOM 1340 O CYS A 89 73.209 30.001 59.075 1.00 0.00 O ATOM 1341 CB CYS A 89 74.700 32.646 59.429 1.00 0.00 C ATOM 1342 SG CYS A 89 73.357 33.852 59.639 1.00 0.00 S ATOM 0 H CYS A 89 75.714 30.091 59.414 1.00 0.00 H new ATOM 0 HA CYS A 89 74.428 31.870 61.419 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.662 33.129 59.600 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.707 32.274 58.404 1.00 0.00 H new ATOM 0 HG CYS A 89 73.523 34.836 58.806 1.00 0.00 H new ATOM 1348 N PRO A 90 72.192 30.737 60.949 1.00 0.00 N ATOM 1349 CA PRO A 90 70.940 30.045 60.685 1.00 0.00 C ATOM 1350 C PRO A 90 70.108 30.749 59.612 1.00 0.00 C ATOM 1351 O PRO A 90 69.793 31.936 59.705 1.00 0.00 O ATOM 1352 CB PRO A 90 70.182 30.014 62.013 1.00 0.00 C ATOM 1353 CG PRO A 90 70.694 31.262 62.732 1.00 0.00 C ATOM 1354 CD PRO A 90 72.147 31.361 62.263 1.00 0.00 C ATOM 0 HA PRO A 90 71.136 29.043 60.304 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.103 30.049 61.862 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.395 29.107 62.578 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.121 32.148 62.459 1.00 0.00 H new ATOM 0 HG3 PRO A 90 70.626 31.160 63.815 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.470 32.401 62.212 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.816 30.854 62.958 1.00 0.00 H new ATOM 1362 N ARG A 91 69.701 29.965 58.619 1.00 0.00 N ATOM 1363 CA ARG A 91 68.848 30.318 57.479 1.00 0.00 C ATOM 1364 C ARG A 91 67.757 29.255 57.294 1.00 0.00 C ATOM 1365 O ARG A 91 67.900 28.094 57.685 1.00 0.00 O ATOM 1366 CB ARG A 91 69.689 30.424 56.196 1.00 0.00 C ATOM 1367 CG ARG A 91 70.875 31.405 56.254 1.00 0.00 C ATOM 1368 CD ARG A 91 70.410 32.835 56.579 1.00 0.00 C ATOM 1369 NE ARG A 91 71.348 33.878 56.114 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.603 34.228 54.868 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.974 33.706 53.856 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.501 35.135 54.626 1.00 0.00 N ATOM 0 H ARG A 91 69.980 28.985 58.584 1.00 0.00 H new ATOM 0 HA ARG A 91 68.382 31.283 57.677 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.072 29.433 55.952 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.034 30.723 55.378 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.587 31.072 57.010 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.399 31.400 55.298 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.435 33.004 56.122 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.278 32.930 57.657 1.00 0.00 H new ATOM 0 HE ARG A 91 71.856 34.385 56.839 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.255 33.000 54.012 1.00 0.00 H new ATOM 0 HH12 ARG A 91 71.200 34.003 52.907 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.005 35.573 55.397 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.702 35.410 53.665 1.00 0.00 H new ATOM 1386 N MET A 92 66.659 29.656 56.668 1.00 0.00 N ATOM 1387 CA MET A 92 65.440 28.889 56.508 1.00 0.00 C ATOM 1388 C MET A 92 64.863 29.134 55.107 1.00 0.00 C ATOM 1389 O MET A 92 64.703 30.273 54.681 1.00 0.00 O ATOM 1390 CB MET A 92 64.466 29.371 57.572 1.00 0.00 C ATOM 1391 CG MET A 92 64.523 28.626 58.904 1.00 0.00 C ATOM 1392 SD MET A 92 63.671 29.506 60.241 1.00 0.00 S ATOM 1393 CE MET A 92 63.996 28.366 61.611 1.00 0.00 C ATOM 0 H MET A 92 66.596 30.578 56.235 1.00 0.00 H new ATOM 0 HA MET A 92 65.626 27.821 56.617 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.654 30.428 57.759 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.454 29.292 57.175 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.076 27.639 58.782 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.565 28.471 59.184 1.00 0.00 H new ATOM 0 HE1 MET A 92 63.540 28.753 62.522 1.00 0.00 H new ATOM 0 HE2 MET A 92 63.572 27.389 61.380 1.00 0.00 H new ATOM 0 HE3 MET A 92 65.072 28.269 61.756 1.00 0.00 H new ATOM 1403 N GLU A 93 64.522 28.076 54.391 1.00 0.00 N ATOM 1404 CA GLU A 93 63.911 28.116 53.055 1.00 0.00 C ATOM 1405 C GLU A 93 62.714 27.155 52.975 1.00 0.00 C ATOM 1406 O GLU A 93 62.630 26.175 53.723 1.00 0.00 O ATOM 1407 CB GLU A 93 65.011 27.841 52.016 1.00 0.00 C ATOM 1408 CG GLU A 93 64.560 27.741 50.552 1.00 0.00 C ATOM 1409 CD GLU A 93 65.768 27.508 49.638 1.00 0.00 C ATOM 1410 OE1 GLU A 93 66.466 26.477 49.783 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.066 28.340 48.754 1.00 0.00 O ATOM 0 H GLU A 93 64.665 27.124 54.729 1.00 0.00 H new ATOM 0 HA GLU A 93 63.494 29.100 52.840 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.756 28.633 52.090 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.509 26.909 52.284 1.00 0.00 H new ATOM 0 HG2 GLU A 93 63.847 26.924 50.439 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.045 28.656 50.260 1.00 0.00 H new ATOM 1418 N VAL A 94 61.758 27.441 52.089 1.00 0.00 N ATOM 1419 CA VAL A 94 60.600 26.581 51.817 1.00 0.00 C ATOM 1420 C VAL A 94 60.556 26.162 50.352 1.00 0.00 C ATOM 1421 O VAL A 94 60.935 26.919 49.457 1.00 0.00 O ATOM 1422 CB VAL A 94 59.263 27.188 52.277 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.178 27.240 53.806 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.975 28.589 51.724 1.00 0.00 C ATOM 0 H VAL A 94 61.765 28.293 51.528 1.00 0.00 H new ATOM 0 HA VAL A 94 60.738 25.685 52.422 1.00 0.00 H new ATOM 0 HB VAL A 94 58.506 26.519 51.868 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.223 27.673 54.103 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.260 26.231 54.209 1.00 0.00 H new ATOM 0 HG13 VAL A 94 59.991 27.853 54.195 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.013 28.938 52.100 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.760 29.275 52.043 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.947 28.552 50.635 1.00 0.00 H new ATOM 1434 N VAL A 95 60.089 24.936 50.120 1.00 0.00 N ATOM 1435 CA VAL A 95 59.958 24.361 48.770 1.00 0.00 C ATOM 1436 C VAL A 95 58.541 23.848 48.512 1.00 0.00 C ATOM 1437 O VAL A 95 57.930 23.213 49.367 1.00 0.00 O ATOM 1438 CB VAL A 95 61.027 23.288 48.466 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.451 23.830 48.651 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.901 22.026 49.329 1.00 0.00 C ATOM 0 H VAL A 95 59.788 24.306 50.863 1.00 0.00 H new ATOM 0 HA VAL A 95 60.144 25.175 48.069 1.00 0.00 H new ATOM 0 HB VAL A 95 60.845 23.022 47.425 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.172 23.043 48.427 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.611 24.671 47.976 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.583 24.161 49.681 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.686 21.320 49.057 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.001 22.293 50.381 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.926 21.567 49.163 1.00 0.00 H new ATOM 1450 N CYS A 96 58.028 24.095 47.314 1.00 0.00 N ATOM 1451 CA CYS A 96 56.778 23.629 46.801 1.00 0.00 C ATOM 1452 C CYS A 96 57.032 22.185 46.375 1.00 0.00 C ATOM 1453 O CYS A 96 57.763 21.914 45.432 1.00 0.00 O ATOM 1454 CB CYS A 96 56.399 24.589 45.663 1.00 0.00 C ATOM 1455 SG CYS A 96 55.044 23.897 44.695 1.00 0.00 S ATOM 0 H CYS A 96 58.525 24.672 46.636 1.00 0.00 H new ATOM 0 HA CYS A 96 55.940 23.624 47.498 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.106 25.555 46.074 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.263 24.764 45.021 1.00 0.00 H new ATOM 0 HG CYS A 96 55.054 24.414 43.502 1.00 0.00 H new ATOM 1460 N LYS A 97 56.475 21.253 47.128 1.00 0.00 N ATOM 1461 CA LYS A 97 56.420 19.821 46.774 1.00 0.00 C ATOM 1462 C LYS A 97 55.305 19.486 45.775 1.00 0.00 C ATOM 1463 O LYS A 97 55.275 18.391 45.218 1.00 0.00 O ATOM 1464 CB LYS A 97 56.443 18.961 48.035 1.00 0.00 C ATOM 1465 CG LYS A 97 56.837 17.510 47.727 1.00 0.00 C ATOM 1466 CD LYS A 97 58.142 17.338 46.932 1.00 0.00 C ATOM 1467 CE LYS A 97 58.643 15.892 47.033 1.00 0.00 C ATOM 1468 NZ LYS A 97 59.961 15.673 46.383 1.00 0.00 N ATOM 0 H LYS A 97 56.035 21.462 48.024 1.00 0.00 H new ATOM 0 HA LYS A 97 57.323 19.569 46.219 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.147 19.385 48.751 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.460 18.979 48.505 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.930 16.969 48.668 1.00 0.00 H new ATOM 0 HG3 LYS A 97 56.026 17.041 47.169 1.00 0.00 H new ATOM 0 HD2 LYS A 97 57.976 17.600 45.887 1.00 0.00 H new ATOM 0 HD3 LYS A 97 58.901 18.020 47.315 1.00 0.00 H new ATOM 0 HE2 LYS A 97 58.715 15.614 48.084 1.00 0.00 H new ATOM 0 HE3 LYS A 97 57.908 15.229 46.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 59.950 14.767 45.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 60.150 16.446 45.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 60.706 15.653 47.108 1.00 0.00 H new ATOM 1482 N GLN A 98 54.448 20.452 45.479 1.00 0.00 N ATOM 1483 CA GLN A 98 53.461 20.375 44.412 1.00 0.00 C ATOM 1484 C GLN A 98 54.117 20.268 43.024 1.00 0.00 C ATOM 1485 O GLN A 98 53.653 19.491 42.188 1.00 0.00 O ATOM 1486 CB GLN A 98 52.463 21.531 44.467 1.00 0.00 C ATOM 1487 CG GLN A 98 51.861 21.761 45.856 1.00 0.00 C ATOM 1488 CD GLN A 98 50.464 22.363 45.799 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.020 23.002 44.861 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.648 22.138 46.799 1.00 0.00 N ATOM 0 H GLN A 98 54.419 21.335 45.988 1.00 0.00 H new ATOM 0 HA GLN A 98 52.900 19.455 44.577 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.961 22.444 44.141 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.657 21.337 43.759 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.822 20.813 46.392 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.514 22.422 46.425 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.969 21.608 47.610 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.692 22.493 46.767 1.00 0.00 H new ATOM 1499 N CYS A 99 55.209 21.008 42.812 1.00 0.00 N ATOM 1500 CA CYS A 99 55.970 21.073 41.560 1.00 0.00 C ATOM 1501 C CYS A 99 57.515 20.993 41.676 1.00 0.00 C ATOM 1502 O CYS A 99 58.205 20.897 40.659 1.00 0.00 O ATOM 1503 CB CYS A 99 55.536 22.358 40.852 1.00 0.00 C ATOM 1504 SG CYS A 99 55.829 23.806 41.907 1.00 0.00 S ATOM 0 H CYS A 99 55.604 21.604 43.539 1.00 0.00 H new ATOM 0 HA CYS A 99 55.736 20.171 40.995 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.085 22.467 39.917 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.478 22.298 40.595 1.00 0.00 H new ATOM 0 HG CYS A 99 55.636 23.483 43.151 1.00 0.00 H new ATOM 1509 N GLU A 100 58.052 20.991 42.891 1.00 0.00 N ATOM 1510 CA GLU A 100 59.481 20.932 43.242 1.00 0.00 C ATOM 1511 C GLU A 100 60.257 22.223 42.930 1.00 0.00 C ATOM 1512 O GLU A 100 61.296 22.215 42.262 1.00 0.00 O ATOM 1513 CB GLU A 100 60.104 19.587 42.836 1.00 0.00 C ATOM 1514 CG GLU A 100 59.415 18.509 43.669 1.00 0.00 C ATOM 1515 CD GLU A 100 59.852 17.100 43.311 1.00 0.00 C ATOM 1516 OE1 GLU A 100 60.838 16.636 43.928 1.00 0.00 O ATOM 1517 OE2 GLU A 100 59.172 16.405 42.528 1.00 0.00 O ATOM 0 H GLU A 100 57.463 21.033 43.723 1.00 0.00 H new ATOM 0 HA GLU A 100 59.574 20.926 44.328 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.962 19.402 41.771 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.179 19.588 43.019 1.00 0.00 H new ATOM 0 HG2 GLU A 100 59.621 18.688 44.724 1.00 0.00 H new ATOM 0 HG3 GLU A 100 58.336 18.592 43.536 1.00 0.00 H new ATOM 1524 N ALA A 101 59.739 23.347 43.444 1.00 0.00 N ATOM 1525 CA ALA A 101 60.282 24.694 43.277 1.00 0.00 C ATOM 1526 C ALA A 101 60.528 25.419 44.613 1.00 0.00 C ATOM 1527 O ALA A 101 59.680 25.450 45.500 1.00 0.00 O ATOM 1528 CB ALA A 101 59.347 25.487 42.356 1.00 0.00 C ATOM 0 H ALA A 101 58.892 23.337 44.012 1.00 0.00 H new ATOM 0 HA ALA A 101 61.268 24.614 42.819 1.00 0.00 H new ATOM 0 HB1 ALA A 101 59.738 26.495 42.221 1.00 0.00 H new ATOM 0 HB2 ALA A 101 59.283 24.990 41.388 1.00 0.00 H new ATOM 0 HB3 ALA A 101 58.354 25.540 42.803 1.00 0.00 H new ATOM 1534 N HIS A 102 61.693 26.047 44.752 1.00 0.00 N ATOM 1535 CA HIS A 102 62.101 26.832 45.925 1.00 0.00 C ATOM 1536 C HIS A 102 61.471 28.241 45.935 1.00 0.00 C ATOM 1537 O HIS A 102 62.118 29.242 45.633 1.00 0.00 O ATOM 1538 CB HIS A 102 63.638 26.817 46.032 1.00 0.00 C ATOM 1539 CG HIS A 102 64.381 27.149 44.757 1.00 0.00 C ATOM 1540 ND1 HIS A 102 64.698 26.266 43.749 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.891 28.368 44.396 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.382 26.933 42.806 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.532 28.225 43.154 1.00 0.00 N ATOM 0 H HIS A 102 62.409 26.025 44.026 1.00 0.00 H new ATOM 0 HA HIS A 102 61.710 26.369 46.831 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.938 27.527 46.803 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.952 25.829 46.369 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.814 29.281 44.967 1.00 0.00 H new ATOM 0 HE1 HIS A 102 65.760 26.494 41.894 1.00 0.00 H new ATOM 0 HE2 HIS A 102 66.013 28.952 42.624 1.00 0.00 H new ATOM 1551 N LEU A 103 60.183 28.318 46.294 1.00 0.00 N ATOM 1552 CA LEU A 103 59.356 29.535 46.196 1.00 0.00 C ATOM 1553 C LEU A 103 59.640 30.641 47.230 1.00 0.00 C ATOM 1554 O LEU A 103 58.993 31.689 47.206 1.00 0.00 O ATOM 1555 CB LEU A 103 57.858 29.169 46.052 1.00 0.00 C ATOM 1556 CG LEU A 103 57.061 28.649 47.271 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.708 27.443 47.946 1.00 0.00 C ATOM 1558 CD2 LEU A 103 56.784 29.697 48.352 1.00 0.00 C ATOM 0 H LEU A 103 59.672 27.519 46.670 1.00 0.00 H new ATOM 0 HA LEU A 103 59.673 30.026 45.276 1.00 0.00 H new ATOM 0 HB2 LEU A 103 57.343 30.057 45.685 1.00 0.00 H new ATOM 0 HB3 LEU A 103 57.784 28.412 45.272 1.00 0.00 H new ATOM 0 HG LEU A 103 56.112 28.360 46.820 1.00 0.00 H new ATOM 0 HD11 LEU A 103 57.098 27.129 48.793 1.00 0.00 H new ATOM 0 HD12 LEU A 103 57.785 26.624 47.231 1.00 0.00 H new ATOM 0 HD13 LEU A 103 58.704 27.713 48.297 1.00 0.00 H new ATOM 0 HD21 LEU A 103 56.221 29.240 49.166 1.00 0.00 H new ATOM 0 HD22 LEU A 103 57.729 30.082 48.736 1.00 0.00 H new ATOM 0 HD23 LEU A 103 56.205 30.516 47.925 1.00 0.00 H new ATOM 1570 N GLY A 104 60.644 30.453 48.088 1.00 0.00 N ATOM 1571 CA GLY A 104 61.282 31.528 48.833 1.00 0.00 C ATOM 1572 C GLY A 104 61.847 31.156 50.191 1.00 0.00 C ATOM 1573 O GLY A 104 61.679 30.050 50.703 1.00 0.00 O ATOM 0 H GLY A 104 61.039 29.534 48.284 1.00 0.00 H new ATOM 0 HA2 GLY A 104 62.090 31.934 48.225 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.555 32.328 48.972 1.00 0.00 H new ATOM 1577 N HIS A 105 62.557 32.120 50.767 1.00 0.00 N ATOM 1578 CA HIS A 105 63.309 31.932 52.002 1.00 0.00 C ATOM 1579 C HIS A 105 63.182 33.085 52.984 1.00 0.00 C ATOM 1580 O HIS A 105 62.814 34.204 52.637 1.00 0.00 O ATOM 1581 CB HIS A 105 64.774 31.636 51.688 1.00 0.00 C ATOM 1582 CG HIS A 105 65.374 32.454 50.580 1.00 0.00 C ATOM 1583 ND1 HIS A 105 65.300 33.817 50.404 1.00 0.00 N ATOM 1584 CD2 HIS A 105 66.062 31.944 49.520 1.00 0.00 C ATOM 1585 CE1 HIS A 105 65.942 34.119 49.265 1.00 0.00 C ATOM 1586 NE2 HIS A 105 66.429 33.010 48.689 1.00 0.00 N ATOM 0 H HIS A 105 62.627 33.063 50.386 1.00 0.00 H new ATOM 0 HA HIS A 105 62.864 31.074 52.505 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.361 31.795 52.593 1.00 0.00 H new ATOM 0 HB3 HIS A 105 64.866 30.581 51.429 1.00 0.00 H new ATOM 0 HD2 HIS A 105 66.285 30.901 49.350 1.00 0.00 H new ATOM 0 HE1 HIS A 105 66.051 35.117 48.867 1.00 0.00 H new ATOM 0 HE2 HIS A 105 66.960 32.954 47.820 1.00 0.00 H new ATOM 1594 N VAL A 106 63.501 32.761 54.227 1.00 0.00 N ATOM 1595 CA VAL A 106 63.419 33.630 55.408 1.00 0.00 C ATOM 1596 C VAL A 106 64.757 33.681 56.125 1.00 0.00 C ATOM 1597 O VAL A 106 65.338 32.659 56.495 1.00 0.00 O ATOM 1598 CB VAL A 106 62.227 33.293 56.332 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.016 31.806 56.613 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.302 33.990 57.693 1.00 0.00 C ATOM 0 H VAL A 106 63.846 31.830 54.461 1.00 0.00 H new ATOM 0 HA VAL A 106 63.204 34.641 55.062 1.00 0.00 H new ATOM 0 HB VAL A 106 61.386 33.663 55.746 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.156 31.678 57.270 1.00 0.00 H new ATOM 0 HG12 VAL A 106 61.837 31.280 55.675 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.904 31.397 57.094 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.436 33.711 58.293 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.213 33.686 58.208 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.311 35.070 57.549 1.00 0.00 H new ATOM 1610 N PHE A 107 65.247 34.909 56.277 1.00 0.00 N ATOM 1611 CA PHE A 107 66.565 35.204 56.849 1.00 0.00 C ATOM 1612 C PHE A 107 66.477 36.172 58.046 1.00 0.00 C ATOM 1613 O PHE A 107 65.623 37.073 58.040 1.00 0.00 O ATOM 1614 CB PHE A 107 67.505 35.780 55.771 1.00 0.00 C ATOM 1615 CG PHE A 107 67.704 35.000 54.475 1.00 0.00 C ATOM 1616 CD1 PHE A 107 67.648 33.591 54.428 1.00 0.00 C ATOM 1617 CD2 PHE A 107 68.016 35.707 53.298 1.00 0.00 C ATOM 1618 CE1 PHE A 107 67.881 32.903 53.224 1.00 0.00 C ATOM 1619 CE2 PHE A 107 68.249 35.022 52.092 1.00 0.00 C ATOM 1620 CZ PHE A 107 68.181 33.620 52.055 1.00 0.00 C ATOM 0 H PHE A 107 64.732 35.745 56.002 1.00 0.00 H new ATOM 0 HA PHE A 107 66.972 34.262 57.217 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.135 36.771 55.506 1.00 0.00 H new ATOM 0 HB3 PHE A 107 68.485 35.917 56.227 1.00 0.00 H new ATOM 0 HD1 PHE A 107 67.424 33.035 55.326 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.077 36.785 53.322 1.00 0.00 H new ATOM 0 HE1 PHE A 107 67.829 31.825 53.199 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.480 35.575 51.194 1.00 0.00 H new ATOM 0 HZ PHE A 107 68.359 33.094 51.129 1.00 0.00 H new ATOM 1630 N PRO A 108 67.391 36.067 59.031 1.00 0.00 N ATOM 1631 CA PRO A 108 67.445 36.973 60.173 1.00 0.00 C ATOM 1632 C PRO A 108 67.968 38.361 59.791 1.00 0.00 C ATOM 1633 O PRO A 108 68.747 38.521 58.847 1.00 0.00 O ATOM 1634 CB PRO A 108 68.335 36.276 61.208 1.00 0.00 C ATOM 1635 CG PRO A 108 69.299 35.467 60.340 1.00 0.00 C ATOM 1636 CD PRO A 108 68.420 35.039 59.166 1.00 0.00 C ATOM 0 HA PRO A 108 66.450 37.164 60.574 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.862 36.994 61.836 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.756 35.636 61.873 1.00 0.00 H new ATOM 0 HG2 PRO A 108 70.148 36.067 60.012 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.703 34.609 60.877 1.00 0.00 H new ATOM 0 HD2 PRO A 108 69.007 34.953 58.251 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.973 34.062 59.350 1.00 0.00 H new ATOM 1644 N ASP A 109 67.536 39.365 60.549 1.00 0.00 N ATOM 1645 CA ASP A 109 67.834 40.792 60.363 1.00 0.00 C ATOM 1646 C ASP A 109 68.929 41.356 61.284 1.00 0.00 C ATOM 1647 O ASP A 109 69.288 42.530 61.194 1.00 0.00 O ATOM 1648 CB ASP A 109 66.516 41.572 60.502 1.00 0.00 C ATOM 1649 CG ASP A 109 65.943 41.511 61.922 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.824 40.382 62.455 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.638 42.591 62.477 1.00 0.00 O ATOM 0 H ASP A 109 66.934 39.201 61.356 1.00 0.00 H new ATOM 0 HA ASP A 109 68.259 40.911 59.366 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.683 42.613 60.226 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.784 41.170 59.801 1.00 0.00 H new ATOM 1656 N GLY A 110 69.480 40.507 62.150 1.00 0.00 N ATOM 1657 CA GLY A 110 70.514 40.849 63.140 1.00 0.00 C ATOM 1658 C GLY A 110 70.242 40.345 64.569 1.00 0.00 C ATOM 1659 O GLY A 110 71.054 39.572 65.082 1.00 0.00 O ATOM 0 H GLY A 110 69.212 39.524 62.187 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.467 40.441 62.803 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.623 41.933 63.168 1.00 0.00 H new ATOM 1663 N PRO A 111 69.150 40.768 65.240 1.00 0.00 N ATOM 1664 CA PRO A 111 68.821 40.399 66.623 1.00 0.00 C ATOM 1665 C PRO A 111 68.277 38.956 66.748 1.00 0.00 C ATOM 1666 O PRO A 111 68.548 38.080 65.921 1.00 0.00 O ATOM 1667 CB PRO A 111 67.828 41.492 67.064 1.00 0.00 C ATOM 1668 CG PRO A 111 67.062 41.799 65.782 1.00 0.00 C ATOM 1669 CD PRO A 111 68.169 41.723 64.736 1.00 0.00 C ATOM 0 HA PRO A 111 69.695 40.368 67.274 1.00 0.00 H new ATOM 0 HB2 PRO A 111 67.166 41.140 67.855 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.342 42.373 67.447 1.00 0.00 H new ATOM 0 HG2 PRO A 111 66.271 41.073 65.594 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.593 42.782 65.811 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.772 41.400 63.774 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.624 42.701 64.581 1.00 0.00 H new ATOM 1677 N LYS A 112 67.541 38.673 67.830 1.00 0.00 N ATOM 1678 CA LYS A 112 66.764 37.441 68.015 1.00 0.00 C ATOM 1679 C LYS A 112 65.757 37.210 66.877 1.00 0.00 C ATOM 1680 O LYS A 112 65.252 38.178 66.305 1.00 0.00 O ATOM 1681 CB LYS A 112 66.110 37.478 69.410 1.00 0.00 C ATOM 1682 CG LYS A 112 66.848 36.586 70.416 1.00 0.00 C ATOM 1683 CD LYS A 112 68.329 36.879 70.704 1.00 0.00 C ATOM 1684 CE LYS A 112 68.513 38.087 71.630 1.00 0.00 C ATOM 1685 NZ LYS A 112 69.650 37.876 72.557 1.00 0.00 N ATOM 0 H LYS A 112 67.468 39.312 68.622 1.00 0.00 H new ATOM 0 HA LYS A 112 67.429 36.579 67.968 1.00 0.00 H new ATOM 0 HB2 LYS A 112 66.097 38.504 69.777 1.00 0.00 H new ATOM 0 HB3 LYS A 112 65.072 37.154 69.332 1.00 0.00 H new ATOM 0 HG2 LYS A 112 66.309 36.637 71.362 1.00 0.00 H new ATOM 0 HG3 LYS A 112 66.776 35.557 70.063 1.00 0.00 H new ATOM 0 HD2 LYS A 112 68.789 36.002 71.159 1.00 0.00 H new ATOM 0 HD3 LYS A 112 68.851 37.061 69.764 1.00 0.00 H new ATOM 0 HE2 LYS A 112 68.686 38.983 71.035 1.00 0.00 H new ATOM 0 HE3 LYS A 112 67.600 38.255 72.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 69.754 38.707 73.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 69.471 37.033 73.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 70.524 37.739 72.009 1.00 0.00 H new ATOM 1699 N PRO A 113 65.425 35.940 66.557 1.00 0.00 N ATOM 1700 CA PRO A 113 64.658 35.565 65.363 1.00 0.00 C ATOM 1701 C PRO A 113 63.205 36.063 65.358 1.00 0.00 C ATOM 1702 O PRO A 113 62.476 35.821 64.399 1.00 0.00 O ATOM 1703 CB PRO A 113 64.755 34.036 65.272 1.00 0.00 C ATOM 1704 CG PRO A 113 64.935 33.610 66.725 1.00 0.00 C ATOM 1705 CD PRO A 113 65.798 34.735 67.289 1.00 0.00 C ATOM 0 HA PRO A 113 65.080 36.053 64.484 1.00 0.00 H new ATOM 0 HB2 PRO A 113 63.857 33.601 64.833 1.00 0.00 H new ATOM 0 HB3 PRO A 113 65.596 33.722 64.653 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.981 33.529 67.246 1.00 0.00 H new ATOM 0 HG3 PRO A 113 65.426 32.640 66.807 1.00 0.00 H new ATOM 0 HD2 PRO A 113 65.625 34.860 68.358 1.00 0.00 H new ATOM 0 HD3 PRO A 113 66.858 34.514 67.161 1.00 0.00 H new ATOM 1713 N THR A 114 62.782 36.808 66.379 1.00 0.00 N ATOM 1714 CA THR A 114 61.519 37.569 66.335 1.00 0.00 C ATOM 1715 C THR A 114 61.475 38.601 65.197 1.00 0.00 C ATOM 1716 O THR A 114 60.384 38.924 64.731 1.00 0.00 O ATOM 1717 CB THR A 114 61.242 38.266 67.675 1.00 0.00 C ATOM 1718 OG1 THR A 114 62.393 38.931 68.149 1.00 0.00 O ATOM 1719 CG2 THR A 114 60.843 37.265 68.759 1.00 0.00 C ATOM 0 H THR A 114 63.295 36.905 67.255 1.00 0.00 H new ATOM 0 HA THR A 114 60.738 36.834 66.140 1.00 0.00 H new ATOM 0 HB THR A 114 60.431 38.969 67.485 1.00 0.00 H new ATOM 0 HG1 THR A 114 62.190 39.368 69.002 1.00 0.00 H new ATOM 0 HG21 THR A 114 60.655 37.795 69.693 1.00 0.00 H new ATOM 0 HG22 THR A 114 59.939 36.738 68.453 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.650 36.547 68.906 1.00 0.00 H new ATOM 1727 N GLY A 115 62.632 39.070 64.705 1.00 0.00 N ATOM 1728 CA GLY A 115 62.752 39.987 63.558 1.00 0.00 C ATOM 1729 C GLY A 115 62.824 39.340 62.164 1.00 0.00 C ATOM 1730 O GLY A 115 62.924 40.055 61.161 1.00 0.00 O ATOM 0 H GLY A 115 63.536 38.816 65.104 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.900 40.667 63.575 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.647 40.594 63.699 1.00 0.00 H new ATOM 1734 N GLN A 116 62.761 38.005 62.071 1.00 0.00 N ATOM 1735 CA GLN A 116 62.822 37.268 60.803 1.00 0.00 C ATOM 1736 C GLN A 116 61.683 37.628 59.830 1.00 0.00 C ATOM 1737 O GLN A 116 60.545 37.871 60.226 1.00 0.00 O ATOM 1738 CB GLN A 116 62.795 35.757 61.061 1.00 0.00 C ATOM 1739 CG GLN A 116 64.123 35.190 61.577 1.00 0.00 C ATOM 1740 CD GLN A 116 64.502 33.921 60.834 1.00 0.00 C ATOM 1741 OE1 GLN A 116 65.337 33.920 59.948 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.866 32.812 61.133 1.00 0.00 N ATOM 0 H GLN A 116 62.665 37.399 62.886 1.00 0.00 H new ATOM 0 HA GLN A 116 63.760 37.562 60.332 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.011 35.536 61.786 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.528 35.245 60.136 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.911 35.934 61.457 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.042 34.980 62.644 1.00 0.00 H new ATOM 0 HE21 GLN A 116 63.166 32.810 61.875 1.00 0.00 H new ATOM 0 HE22 GLN A 116 64.072 31.953 60.624 1.00 0.00 H new ATOM 1751 N ARG A 117 61.986 37.606 58.525 1.00 0.00 N ATOM 1752 CA ARG A 117 61.075 37.913 57.418 1.00 0.00 C ATOM 1753 C ARG A 117 61.498 37.184 56.148 1.00 0.00 C ATOM 1754 O ARG A 117 62.691 36.961 55.934 1.00 0.00 O ATOM 1755 CB ARG A 117 61.009 39.436 57.196 1.00 0.00 C ATOM 1756 CG ARG A 117 62.274 40.145 56.665 1.00 0.00 C ATOM 1757 CD ARG A 117 63.550 39.900 57.484 1.00 0.00 C ATOM 1758 NE ARG A 117 64.564 40.929 57.221 1.00 0.00 N ATOM 1759 CZ ARG A 117 65.861 40.778 57.061 1.00 0.00 C ATOM 1760 NH1 ARG A 117 66.466 39.628 57.060 1.00 0.00 N ATOM 1761 NH2 ARG A 117 66.605 41.828 56.915 1.00 0.00 N ATOM 0 H ARG A 117 62.921 37.361 58.198 1.00 0.00 H new ATOM 0 HA ARG A 117 60.076 37.562 57.677 1.00 0.00 H new ATOM 0 HB2 ARG A 117 60.196 39.637 56.499 1.00 0.00 H new ATOM 0 HB3 ARG A 117 60.739 39.901 58.144 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.451 39.820 55.640 1.00 0.00 H new ATOM 0 HG3 ARG A 117 62.083 41.218 56.631 1.00 0.00 H new ATOM 0 HD2 ARG A 117 63.306 39.891 58.546 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.956 38.918 57.242 1.00 0.00 H new ATOM 0 HE ARG A 117 64.217 41.886 57.154 1.00 0.00 H new ATOM 0 HH11 ARG A 117 65.930 38.770 57.189 1.00 0.00 H new ATOM 0 HH12 ARG A 117 67.477 39.584 56.930 1.00 0.00 H new ATOM 0 HH21 ARG A 117 66.184 42.757 56.925 1.00 0.00 H new ATOM 0 HH22 ARG A 117 67.612 41.726 56.790 1.00 0.00 H new ATOM 1775 N PHE A 118 60.534 36.843 55.296 1.00 0.00 N ATOM 1776 CA PHE A 118 60.823 36.238 54.002 1.00 0.00 C ATOM 1777 C PHE A 118 61.182 37.289 52.950 1.00 0.00 C ATOM 1778 O PHE A 118 60.600 38.373 52.894 1.00 0.00 O ATOM 1779 CB PHE A 118 59.694 35.346 53.471 1.00 0.00 C ATOM 1780 CG PHE A 118 59.289 34.137 54.297 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.493 34.283 55.450 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.656 32.844 53.870 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.080 33.153 56.177 1.00 0.00 C ATOM 1784 CE2 PHE A 118 59.240 31.712 54.594 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.455 31.867 55.750 1.00 0.00 C ATOM 0 H PHE A 118 59.540 36.977 55.482 1.00 0.00 H new ATOM 0 HA PHE A 118 61.686 35.596 54.182 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.810 35.970 53.338 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.986 34.992 52.482 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.198 35.269 55.777 1.00 0.00 H new ATOM 0 HD2 PHE A 118 60.259 32.722 52.983 1.00 0.00 H new ATOM 0 HE1 PHE A 118 57.475 33.273 57.063 1.00 0.00 H new ATOM 0 HE2 PHE A 118 59.524 30.724 54.262 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.140 30.999 56.310 1.00 0.00 H new ATOM 1795 N CYS A 119 62.098 36.912 52.073 1.00 0.00 N ATOM 1796 CA CYS A 119 62.493 37.569 50.828 1.00 0.00 C ATOM 1797 C CYS A 119 62.468 36.527 49.698 1.00 0.00 C ATOM 1798 O CYS A 119 62.964 35.413 49.872 1.00 0.00 O ATOM 1799 CB CYS A 119 63.867 38.233 51.023 1.00 0.00 C ATOM 1800 SG CYS A 119 65.122 37.067 51.641 1.00 0.00 S ATOM 0 H CYS A 119 62.637 36.059 52.225 1.00 0.00 H new ATOM 0 HA CYS A 119 61.800 38.363 50.550 1.00 0.00 H new ATOM 0 HB2 CYS A 119 64.202 38.654 50.075 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.770 39.063 51.723 1.00 0.00 H new ATOM 0 HG CYS A 119 64.989 35.925 51.035 1.00 0.00 H new ATOM 1806 N ILE A 120 61.898 36.860 48.538 1.00 0.00 N ATOM 1807 CA ILE A 120 61.946 35.981 47.353 1.00 0.00 C ATOM 1808 C ILE A 120 62.459 36.713 46.107 1.00 0.00 C ATOM 1809 O ILE A 120 61.910 37.730 45.693 1.00 0.00 O ATOM 1810 CB ILE A 120 60.589 35.283 47.113 1.00 0.00 C ATOM 1811 CG1 ILE A 120 60.530 34.465 45.807 1.00 0.00 C ATOM 1812 CG2 ILE A 120 59.380 36.236 47.138 1.00 0.00 C ATOM 1813 CD1 ILE A 120 61.569 33.345 45.673 1.00 0.00 C ATOM 0 H ILE A 120 61.394 37.734 48.387 1.00 0.00 H new ATOM 0 HA ILE A 120 62.674 35.197 47.562 1.00 0.00 H new ATOM 0 HB ILE A 120 60.520 34.603 47.962 1.00 0.00 H new ATOM 0 HG12 ILE A 120 59.536 34.025 45.721 1.00 0.00 H new ATOM 0 HG13 ILE A 120 60.650 35.149 44.967 1.00 0.00 H new ATOM 0 HG21 ILE A 120 58.466 35.669 46.962 1.00 0.00 H new ATOM 0 HG22 ILE A 120 59.322 36.725 48.111 1.00 0.00 H new ATOM 0 HG23 ILE A 120 59.495 36.990 46.359 1.00 0.00 H new ATOM 0 HD11 ILE A 120 61.435 32.837 44.718 1.00 0.00 H new ATOM 0 HD12 ILE A 120 62.571 33.771 45.720 1.00 0.00 H new ATOM 0 HD13 ILE A 120 61.440 32.630 46.486 1.00 0.00 H new ATOM 1825 N ASN A 121 63.488 36.149 45.465 1.00 0.00 N ATOM 1826 CA ASN A 121 64.103 36.684 44.244 1.00 0.00 C ATOM 1827 C ASN A 121 64.053 35.749 43.008 1.00 0.00 C ATOM 1828 O ASN A 121 64.569 36.106 41.948 1.00 0.00 O ATOM 1829 CB ASN A 121 65.523 37.148 44.593 1.00 0.00 C ATOM 1830 CG ASN A 121 66.521 36.029 44.831 1.00 0.00 C ATOM 1831 OD1 ASN A 121 66.224 34.854 44.719 1.00 0.00 O ATOM 1832 ND2 ASN A 121 67.756 36.372 45.097 1.00 0.00 N ATOM 0 H ASN A 121 63.927 35.287 45.788 1.00 0.00 H new ATOM 0 HA ASN A 121 63.500 37.529 43.911 1.00 0.00 H new ATOM 0 HB2 ASN A 121 65.892 37.779 43.784 1.00 0.00 H new ATOM 0 HB3 ASN A 121 65.477 37.770 45.487 1.00 0.00 H new ATOM 0 HD21 ASN A 121 68.471 35.654 45.211 1.00 0.00 H new ATOM 0 HD22 ASN A 121 68.003 37.357 45.190 1.00 0.00 H new ATOM 1839 N SER A 122 63.412 34.582 43.132 1.00 0.00 N ATOM 1840 CA SER A 122 63.231 33.572 42.072 1.00 0.00 C ATOM 1841 C SER A 122 61.781 33.054 42.018 1.00 0.00 C ATOM 1842 O SER A 122 61.551 31.862 41.867 1.00 0.00 O ATOM 1843 CB SER A 122 64.218 32.405 42.248 1.00 0.00 C ATOM 1844 OG SER A 122 65.564 32.768 41.998 1.00 0.00 O ATOM 0 H SER A 122 62.984 34.298 44.013 1.00 0.00 H new ATOM 0 HA SER A 122 63.442 34.061 41.121 1.00 0.00 H new ATOM 0 HB2 SER A 122 64.136 32.019 43.264 1.00 0.00 H new ATOM 0 HB3 SER A 122 63.936 31.595 41.575 1.00 0.00 H new ATOM 0 HG SER A 122 66.143 31.988 42.127 1.00 0.00 H new ATOM 1850 N VAL A 123 60.791 33.943 42.203 1.00 0.00 N ATOM 1851 CA VAL A 123 59.384 33.596 42.533 1.00 0.00 C ATOM 1852 C VAL A 123 58.741 32.535 41.624 1.00 0.00 C ATOM 1853 O VAL A 123 58.035 31.661 42.105 1.00 0.00 O ATOM 1854 CB VAL A 123 58.537 34.886 42.613 1.00 0.00 C ATOM 1855 CG1 VAL A 123 58.385 35.620 41.271 1.00 0.00 C ATOM 1856 CG2 VAL A 123 57.146 34.648 43.204 1.00 0.00 C ATOM 0 H VAL A 123 60.943 34.949 42.127 1.00 0.00 H new ATOM 0 HA VAL A 123 59.409 33.111 43.509 1.00 0.00 H new ATOM 0 HB VAL A 123 59.110 35.525 43.284 1.00 0.00 H new ATOM 0 HG11 VAL A 123 57.778 36.514 41.412 1.00 0.00 H new ATOM 0 HG12 VAL A 123 59.369 35.905 40.899 1.00 0.00 H new ATOM 0 HG13 VAL A 123 57.900 34.962 40.549 1.00 0.00 H new ATOM 0 HG21 VAL A 123 56.598 35.590 43.235 1.00 0.00 H new ATOM 0 HG22 VAL A 123 56.605 33.933 42.584 1.00 0.00 H new ATOM 0 HG23 VAL A 123 57.243 34.251 44.215 1.00 0.00 H new ATOM 1866 N ALA A 124 59.014 32.596 40.320 1.00 0.00 N ATOM 1867 CA ALA A 124 58.713 31.610 39.274 1.00 0.00 C ATOM 1868 C ALA A 124 57.242 31.423 38.878 1.00 0.00 C ATOM 1869 O ALA A 124 56.962 30.868 37.817 1.00 0.00 O ATOM 1870 CB ALA A 124 59.453 30.294 39.551 1.00 0.00 C ATOM 0 H ALA A 124 59.494 33.408 39.932 1.00 0.00 H new ATOM 0 HA ALA A 124 59.104 32.054 38.359 1.00 0.00 H new ATOM 0 HB1 ALA A 124 59.220 29.573 38.767 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.527 30.477 39.567 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.138 29.896 40.515 1.00 0.00 H new ATOM 1876 N LEU A 125 56.339 31.985 39.671 1.00 0.00 N ATOM 1877 CA LEU A 125 54.893 31.722 39.675 1.00 0.00 C ATOM 1878 C LEU A 125 54.022 32.988 39.533 1.00 0.00 C ATOM 1879 O LEU A 125 54.530 34.107 39.429 1.00 0.00 O ATOM 1880 CB LEU A 125 54.561 30.819 40.882 1.00 0.00 C ATOM 1881 CG LEU A 125 54.767 31.392 42.298 1.00 0.00 C ATOM 1882 CD1 LEU A 125 53.591 32.233 42.782 1.00 0.00 C ATOM 1883 CD2 LEU A 125 54.960 30.258 43.305 1.00 0.00 C ATOM 0 H LEU A 125 56.604 32.677 40.371 1.00 0.00 H new ATOM 0 HA LEU A 125 54.624 31.177 38.770 1.00 0.00 H new ATOM 0 HB2 LEU A 125 53.518 30.516 40.794 1.00 0.00 H new ATOM 0 HB3 LEU A 125 55.164 29.915 40.798 1.00 0.00 H new ATOM 0 HG LEU A 125 55.649 32.029 42.233 1.00 0.00 H new ATOM 0 HD11 LEU A 125 53.799 32.607 43.785 1.00 0.00 H new ATOM 0 HD12 LEU A 125 53.442 33.074 42.105 1.00 0.00 H new ATOM 0 HD13 LEU A 125 52.690 31.620 42.803 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.104 30.677 44.301 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.078 29.617 43.305 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.835 29.670 43.028 1.00 0.00 H new ATOM 1895 N LYS A 126 52.701 32.790 39.458 1.00 0.00 N ATOM 1896 CA LYS A 126 51.684 33.772 39.022 1.00 0.00 C ATOM 1897 C LYS A 126 50.720 34.230 40.130 1.00 0.00 C ATOM 1898 O LYS A 126 50.879 33.875 41.294 1.00 0.00 O ATOM 1899 CB LYS A 126 50.972 33.220 37.780 1.00 0.00 C ATOM 1900 CG LYS A 126 51.871 33.388 36.545 1.00 0.00 C ATOM 1901 CD LYS A 126 51.670 34.700 35.770 1.00 0.00 C ATOM 1902 CE LYS A 126 51.994 35.977 36.561 1.00 0.00 C ATOM 1903 NZ LYS A 126 51.739 37.200 35.772 1.00 0.00 N ATOM 0 H LYS A 126 52.283 31.895 39.712 1.00 0.00 H new ATOM 0 HA LYS A 126 52.198 34.697 38.760 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.732 32.167 37.926 1.00 0.00 H new ATOM 0 HB3 LYS A 126 50.028 33.744 37.628 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.912 33.326 36.861 1.00 0.00 H new ATOM 0 HG3 LYS A 126 51.693 32.553 35.868 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.294 34.676 34.876 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.634 34.751 35.434 1.00 0.00 H new ATOM 0 HE2 LYS A 126 51.394 36.001 37.471 1.00 0.00 H new ATOM 0 HE3 LYS A 126 53.039 35.956 36.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 51.689 38.020 36.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 52.510 37.339 35.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 50.838 37.103 35.262 1.00 0.00 H new ATOM 1917 N PHE A 127 49.790 35.134 39.804 1.00 0.00 N ATOM 1918 CA PHE A 127 48.943 35.842 40.763 1.00 0.00 C ATOM 1919 C PHE A 127 47.627 36.365 40.162 1.00 0.00 C ATOM 1920 O PHE A 127 47.521 36.538 38.950 1.00 0.00 O ATOM 1921 CB PHE A 127 49.757 37.008 41.344 1.00 0.00 C ATOM 1922 CG PHE A 127 50.436 37.902 40.318 1.00 0.00 C ATOM 1923 CD1 PHE A 127 49.716 38.938 39.690 1.00 0.00 C ATOM 1924 CD2 PHE A 127 51.786 37.686 39.977 1.00 0.00 C ATOM 1925 CE1 PHE A 127 50.343 39.755 38.735 1.00 0.00 C ATOM 1926 CE2 PHE A 127 52.413 38.505 39.022 1.00 0.00 C ATOM 1927 CZ PHE A 127 51.693 39.544 38.405 1.00 0.00 C ATOM 0 H PHE A 127 49.602 35.399 38.837 1.00 0.00 H new ATOM 0 HA PHE A 127 48.650 35.131 41.536 1.00 0.00 H new ATOM 0 HB2 PHE A 127 49.096 37.622 41.955 1.00 0.00 H new ATOM 0 HB3 PHE A 127 50.519 36.602 42.009 1.00 0.00 H new ATOM 0 HD1 PHE A 127 48.679 39.104 39.944 1.00 0.00 H new ATOM 0 HD2 PHE A 127 52.340 36.889 40.451 1.00 0.00 H new ATOM 0 HE1 PHE A 127 49.787 40.546 38.254 1.00 0.00 H new ATOM 0 HE2 PHE A 127 53.448 38.337 38.762 1.00 0.00 H new ATOM 0 HZ PHE A 127 52.177 40.179 37.678 1.00 0.00 H new ATOM 1937 N LYS A 128 46.644 36.663 41.024 1.00 0.00 N ATOM 1938 CA LYS A 128 45.483 37.533 40.747 1.00 0.00 C ATOM 1939 C LYS A 128 45.337 38.608 41.839 1.00 0.00 C ATOM 1940 O LYS A 128 45.693 38.336 42.991 1.00 0.00 O ATOM 1941 CB LYS A 128 44.178 36.717 40.600 1.00 0.00 C ATOM 1942 CG LYS A 128 43.708 36.017 41.894 1.00 0.00 C ATOM 1943 CD LYS A 128 42.305 35.384 41.816 1.00 0.00 C ATOM 1944 CE LYS A 128 41.138 36.319 42.197 1.00 0.00 C ATOM 1945 NZ LYS A 128 40.798 37.301 41.142 1.00 0.00 N ATOM 0 H LYS A 128 46.632 36.291 41.974 1.00 0.00 H new ATOM 0 HA LYS A 128 45.665 38.030 39.794 1.00 0.00 H new ATOM 0 HB2 LYS A 128 43.386 37.382 40.254 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.322 35.963 39.826 1.00 0.00 H new ATOM 0 HG2 LYS A 128 44.428 35.240 42.151 1.00 0.00 H new ATOM 0 HG3 LYS A 128 43.719 36.743 42.707 1.00 0.00 H new ATOM 0 HD2 LYS A 128 42.143 35.023 40.800 1.00 0.00 H new ATOM 0 HD3 LYS A 128 42.280 34.513 42.471 1.00 0.00 H new ATOM 0 HE2 LYS A 128 40.257 35.716 42.418 1.00 0.00 H new ATOM 0 HE3 LYS A 128 41.395 36.854 43.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 39.765 37.401 41.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 41.222 38.222 41.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 41.168 36.971 40.228 1.00 0.00 H new ATOM 1959 N PRO A 129 44.755 39.786 41.558 1.00 0.00 N ATOM 1960 CA PRO A 129 44.225 40.647 42.610 1.00 0.00 C ATOM 1961 C PRO A 129 42.907 40.093 43.173 1.00 0.00 C ATOM 1962 O PRO A 129 42.298 39.181 42.611 1.00 0.00 O ATOM 1963 CB PRO A 129 44.025 42.011 41.953 1.00 0.00 C ATOM 1964 CG PRO A 129 43.641 41.621 40.528 1.00 0.00 C ATOM 1965 CD PRO A 129 44.457 40.354 40.251 1.00 0.00 C ATOM 0 HA PRO A 129 44.903 40.709 43.461 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.242 42.590 42.443 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.932 42.615 41.981 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.571 41.432 40.442 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.883 42.413 39.820 1.00 0.00 H new ATOM 0 HD2 PRO A 129 43.893 39.651 39.638 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.372 40.588 39.708 1.00 0.00 H new ATOM 1973 N SER A 130 42.480 40.665 44.297 1.00 0.00 N ATOM 1974 CA SER A 130 41.259 40.281 45.030 1.00 0.00 C ATOM 1975 C SER A 130 40.027 41.066 44.569 1.00 0.00 C ATOM 1976 O SER A 130 38.947 40.513 44.380 1.00 0.00 O ATOM 1977 CB SER A 130 41.465 40.506 46.524 1.00 0.00 C ATOM 1978 OG SER A 130 41.206 39.347 47.277 1.00 0.00 O ATOM 0 H SER A 130 42.984 41.432 44.742 1.00 0.00 H new ATOM 0 HA SER A 130 41.077 39.227 44.822 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.490 40.832 46.703 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.811 41.310 46.862 1.00 0.00 H new ATOM 0 HG SER A 130 41.352 39.535 48.228 1.00 0.00 H new ATOM 1984 N LYS A 131 40.210 42.384 44.420 1.00 0.00 N ATOM 1985 CA LYS A 131 39.234 43.361 43.954 1.00 0.00 C ATOM 1986 C LYS A 131 38.814 43.157 42.480 1.00 0.00 C ATOM 1987 O LYS A 131 39.551 42.519 41.723 1.00 0.00 O ATOM 1988 CB LYS A 131 39.825 44.769 44.171 1.00 0.00 C ATOM 1989 CG LYS A 131 39.616 45.352 45.579 1.00 0.00 C ATOM 1990 CD LYS A 131 40.222 44.598 46.776 1.00 0.00 C ATOM 1991 CE LYS A 131 39.300 43.526 47.385 1.00 0.00 C ATOM 1992 NZ LYS A 131 38.204 44.080 48.220 1.00 0.00 N ATOM 0 H LYS A 131 41.106 42.819 44.638 1.00 0.00 H new ATOM 0 HA LYS A 131 38.319 43.231 44.532 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.895 44.733 43.964 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.382 45.449 43.443 1.00 0.00 H new ATOM 0 HG2 LYS A 131 40.021 46.364 45.584 1.00 0.00 H new ATOM 0 HG3 LYS A 131 38.543 45.437 45.748 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.151 44.123 46.459 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.481 45.319 47.551 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.866 42.934 46.579 1.00 0.00 H new ATOM 0 HE3 LYS A 131 39.899 42.848 47.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 37.626 43.301 48.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 38.609 44.622 49.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.608 44.705 47.641 1.00 0.00 H new