USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=26 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 130 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 HIS : no HE2:sc= 1.93 K(o=5,f=-14!) USER MOD Set 2.2: A 119 CYS SG : rot -100:sc= 1.23 USER MOD Set 2.3: A 121 ASN : amide:sc= 1.84 K(o=5,f=-2.2!) USER MOD Set 3.1: A 97 LYS NZ :NH3+ -178:sc= 0.459 (180deg=0) USER MOD Set 3.2: A 98 GLN : amide:sc= 0.425 K(o=0.88,f=-2) USER MOD Set 4.1: A 92 MET CE :methyl -177:sc= 0 (180deg=-0.0079) USER MOD Set 4.2: A 116 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.44) USER MOD Set 5.1: A 38 TYR OH : rot -39:sc= 1.9 USER MOD Set 5.2: A 50 SER OG : rot 54:sc= 1.23 USER MOD Set 5.3: A 53 LYS NZ :NH3+ 159:sc= 1.92 (180deg=0.565) USER MOD Set 6.1: A 49 SER OG : rot -174:sc= -0.0589 USER MOD Set 6.2: A 52 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.773) USER MOD Set 7.1: A 40 CYS SG : rot 168:sc= -0.694! USER MOD Set 7.2: A 43 CYS SG : rot -99:sc= -2.14! USER MOD Set 7.3: A 96 CYS SG : rot -163:sc= -2.23! USER MOD Set 7.4: A 99 CYS SG : rot -14:sc= -3.25! USER MOD Single : A 35 THR OG1 : rot 160:sc= 0.0512 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -0.617 K(o=-0.62,f=-3.3!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -159:sc= 0.207 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -47:sc= 0.123 USER MOD Single : A 86 SER OG : rot 73:sc= 1.27 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.106 USER MOD Single : A 102 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.23) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 45.101 44.589 47.328 1.00 0.00 N ATOM 559 CA THR A 35 45.571 43.277 47.798 1.00 0.00 C ATOM 560 C THR A 35 45.321 42.194 46.767 1.00 0.00 C ATOM 561 O THR A 35 44.703 42.433 45.731 1.00 0.00 O ATOM 562 CB THR A 35 44.967 42.909 49.155 1.00 0.00 C ATOM 563 OG1 THR A 35 45.842 42.044 49.831 1.00 0.00 O ATOM 564 CG2 THR A 35 43.581 42.276 49.185 1.00 0.00 C ATOM 0 HA THR A 35 46.649 43.354 47.936 1.00 0.00 H new ATOM 0 HB THR A 35 44.834 43.881 49.629 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.640 42.058 50.790 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.295 42.075 50.217 1.00 0.00 H new ATOM 0 HG22 THR A 35 42.860 42.958 48.735 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.596 41.342 48.624 1.00 0.00 H new ATOM 572 N GLY A 36 45.742 40.976 47.087 1.00 0.00 N ATOM 573 CA GLY A 36 45.625 39.810 46.210 1.00 0.00 C ATOM 574 C GLY A 36 46.272 38.543 46.755 1.00 0.00 C ATOM 575 O GLY A 36 46.393 38.364 47.968 1.00 0.00 O ATOM 0 H GLY A 36 46.184 40.764 47.981 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.569 39.614 46.027 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.077 40.048 45.247 1.00 0.00 H new ATOM 579 N MET A 37 46.690 37.653 45.858 1.00 0.00 N ATOM 580 CA MET A 37 47.266 36.353 46.199 1.00 0.00 C ATOM 581 C MET A 37 48.210 35.812 45.110 1.00 0.00 C ATOM 582 O MET A 37 48.185 36.229 43.947 1.00 0.00 O ATOM 583 CB MET A 37 46.143 35.353 46.535 1.00 0.00 C ATOM 584 CG MET A 37 45.279 35.032 45.320 1.00 0.00 C ATOM 585 SD MET A 37 44.046 33.730 45.591 1.00 0.00 S ATOM 586 CE MET A 37 42.818 34.624 46.582 1.00 0.00 C ATOM 0 H MET A 37 46.637 37.818 44.853 1.00 0.00 H new ATOM 0 HA MET A 37 47.889 36.489 47.083 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.581 34.433 46.921 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.517 35.764 47.326 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.765 35.941 45.006 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.929 34.733 44.498 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.994 33.955 46.830 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.283 34.983 47.500 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.438 35.472 46.012 1.00 0.00 H new ATOM 596 N TYR A 38 49.042 34.866 45.524 1.00 0.00 N ATOM 597 CA TYR A 38 50.073 34.184 44.753 1.00 0.00 C ATOM 598 C TYR A 38 49.805 32.668 44.714 1.00 0.00 C ATOM 599 O TYR A 38 49.238 32.070 45.636 1.00 0.00 O ATOM 600 CB TYR A 38 51.493 34.489 45.277 1.00 0.00 C ATOM 601 CG TYR A 38 51.782 35.888 45.812 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.247 37.034 45.193 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.612 36.037 46.945 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.477 38.313 45.737 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.881 37.316 47.469 1.00 0.00 C ATOM 606 CZ TYR A 38 52.298 38.453 46.873 1.00 0.00 C ATOM 607 OH TYR A 38 52.488 39.685 47.415 1.00 0.00 O ATOM 0 H TYR A 38 49.011 34.528 46.486 1.00 0.00 H new ATOM 0 HA TYR A 38 50.027 34.569 43.734 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.714 33.777 46.072 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.196 34.291 44.468 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.656 36.932 44.295 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.043 35.164 47.413 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.025 39.183 45.284 1.00 0.00 H new ATOM 0 HE2 TYR A 38 53.531 37.426 48.324 1.00 0.00 H new ATOM 0 HH TYR A 38 52.573 40.348 46.698 1.00 0.00 H new ATOM 617 N HIS A 39 50.212 32.075 43.600 1.00 0.00 N ATOM 618 CA HIS A 39 49.874 30.728 43.153 1.00 0.00 C ATOM 619 C HIS A 39 51.062 30.127 42.398 1.00 0.00 C ATOM 620 O HIS A 39 51.869 30.865 41.828 1.00 0.00 O ATOM 621 CB HIS A 39 48.654 30.714 42.195 1.00 0.00 C ATOM 622 CG HIS A 39 47.701 31.887 42.155 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.036 33.217 42.067 1.00 0.00 N ATOM 624 CD2 HIS A 39 46.339 31.821 42.021 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.907 33.933 42.005 1.00 0.00 C ATOM 626 NE2 HIS A 39 45.837 33.128 41.954 1.00 0.00 N ATOM 0 H HIS A 39 50.827 32.552 42.941 1.00 0.00 H new ATOM 0 HA HIS A 39 49.629 30.150 44.044 1.00 0.00 H new ATOM 0 HB2 HIS A 39 49.039 30.577 41.185 1.00 0.00 H new ATOM 0 HB3 HIS A 39 48.066 29.828 42.435 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.984 33.594 42.052 1.00 0.00 H new ATOM 0 HD2 HIS A 39 45.752 30.916 41.975 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.864 35.012 41.997 1.00 0.00 H new ATOM 634 N CYS A 40 51.101 28.809 42.280 1.00 0.00 N ATOM 635 CA CYS A 40 51.867 28.156 41.248 1.00 0.00 C ATOM 636 C CYS A 40 51.194 28.289 39.862 1.00 0.00 C ATOM 637 O CYS A 40 50.002 28.570 39.715 1.00 0.00 O ATOM 638 CB CYS A 40 51.997 26.694 41.662 1.00 0.00 C ATOM 639 SG CYS A 40 53.096 26.469 43.083 1.00 0.00 S ATOM 0 H CYS A 40 50.602 28.170 42.898 1.00 0.00 H new ATOM 0 HA CYS A 40 52.847 28.623 41.147 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.010 26.300 41.904 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.374 26.114 40.820 1.00 0.00 H new ATOM 0 HG CYS A 40 52.974 25.258 43.539 1.00 0.00 H new ATOM 644 N VAL A 41 51.990 27.975 38.846 1.00 0.00 N ATOM 645 CA VAL A 41 51.507 27.500 37.529 1.00 0.00 C ATOM 646 C VAL A 41 52.125 26.164 37.082 1.00 0.00 C ATOM 647 O VAL A 41 51.656 25.561 36.116 1.00 0.00 O ATOM 648 CB VAL A 41 51.652 28.620 36.483 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.110 28.887 36.085 1.00 0.00 C ATOM 650 CG2 VAL A 41 50.823 28.396 35.215 1.00 0.00 C ATOM 0 H VAL A 41 53.006 28.040 38.902 1.00 0.00 H new ATOM 0 HA VAL A 41 50.447 27.268 37.633 1.00 0.00 H new ATOM 0 HB VAL A 41 51.258 29.498 36.995 1.00 0.00 H new ATOM 0 HG11 VAL A 41 53.145 29.687 35.345 1.00 0.00 H new ATOM 0 HG12 VAL A 41 53.679 29.183 36.966 1.00 0.00 H new ATOM 0 HG13 VAL A 41 53.543 27.981 35.661 1.00 0.00 H new ATOM 0 HG21 VAL A 41 50.978 29.227 34.527 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.133 27.467 34.737 1.00 0.00 H new ATOM 0 HG23 VAL A 41 49.767 28.335 35.477 1.00 0.00 H new ATOM 660 N CYS A 42 53.152 25.683 37.792 1.00 0.00 N ATOM 661 CA CYS A 42 53.874 24.451 37.468 1.00 0.00 C ATOM 662 C CYS A 42 53.164 23.194 38.007 1.00 0.00 C ATOM 663 O CYS A 42 52.962 22.234 37.258 1.00 0.00 O ATOM 664 CB CYS A 42 55.308 24.597 37.999 1.00 0.00 C ATOM 665 SG CYS A 42 56.393 23.380 37.202 1.00 0.00 S ATOM 0 H CYS A 42 53.510 26.150 38.625 1.00 0.00 H new ATOM 0 HA CYS A 42 53.898 24.309 36.388 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.675 25.605 37.806 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.321 24.455 39.080 1.00 0.00 H new ATOM 0 HG CYS A 42 57.603 23.514 37.657 1.00 0.00 H new ATOM 671 N CYS A 43 52.724 23.218 39.272 1.00 0.00 N ATOM 672 CA CYS A 43 51.873 22.209 39.874 1.00 0.00 C ATOM 673 C CYS A 43 50.378 22.487 39.584 1.00 0.00 C ATOM 674 O CYS A 43 49.847 21.971 38.595 1.00 0.00 O ATOM 675 CB CYS A 43 52.270 22.077 41.354 1.00 0.00 C ATOM 676 SG CYS A 43 52.252 23.659 42.225 1.00 0.00 S ATOM 0 H CYS A 43 52.964 23.970 39.918 1.00 0.00 H new ATOM 0 HA CYS A 43 52.024 21.227 39.426 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.587 21.387 41.849 1.00 0.00 H new ATOM 0 HB3 CYS A 43 53.267 21.642 41.421 1.00 0.00 H new ATOM 0 HG CYS A 43 53.462 24.128 42.298 1.00 0.00 H new ATOM 681 N ASP A 44 49.713 23.282 40.430 1.00 0.00 N ATOM 682 CA ASP A 44 48.253 23.489 40.410 1.00 0.00 C ATOM 683 C ASP A 44 47.740 24.870 40.869 1.00 0.00 C ATOM 684 O ASP A 44 46.954 25.497 40.152 1.00 0.00 O ATOM 685 CB ASP A 44 47.583 22.409 41.276 1.00 0.00 C ATOM 686 CG ASP A 44 47.542 21.036 40.609 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.919 20.915 39.524 1.00 0.00 O ATOM 688 OD2 ASP A 44 48.098 20.065 41.170 1.00 0.00 O ATOM 0 H ASP A 44 50.181 23.812 41.165 1.00 0.00 H new ATOM 0 HA ASP A 44 47.985 23.426 39.355 1.00 0.00 H new ATOM 0 HB2 ASP A 44 48.118 22.329 42.222 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.565 22.721 41.510 1.00 0.00 H new ATOM 693 N SER A 45 48.079 25.286 42.095 1.00 0.00 N ATOM 694 CA SER A 45 47.098 25.910 43.000 1.00 0.00 C ATOM 695 C SER A 45 47.500 27.246 43.663 1.00 0.00 C ATOM 696 O SER A 45 48.685 27.489 43.897 1.00 0.00 O ATOM 697 CB SER A 45 46.810 24.894 44.113 1.00 0.00 C ATOM 698 OG SER A 45 48.016 24.379 44.658 1.00 0.00 O ATOM 0 H SER A 45 49.018 25.204 42.484 1.00 0.00 H new ATOM 0 HA SER A 45 46.243 26.166 42.374 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.225 25.369 44.901 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.208 24.076 43.717 1.00 0.00 H new ATOM 0 HG SER A 45 47.806 23.735 45.366 1.00 0.00 H new ATOM 704 N PRO A 46 46.524 28.088 44.081 1.00 0.00 N ATOM 705 CA PRO A 46 46.757 29.201 45.006 1.00 0.00 C ATOM 706 C PRO A 46 47.075 28.732 46.427 1.00 0.00 C ATOM 707 O PRO A 46 46.429 27.823 46.952 1.00 0.00 O ATOM 708 CB PRO A 46 45.479 30.034 45.011 1.00 0.00 C ATOM 709 CG PRO A 46 44.394 29.021 44.653 1.00 0.00 C ATOM 710 CD PRO A 46 45.105 28.009 43.752 1.00 0.00 C ATOM 0 HA PRO A 46 47.624 29.772 44.675 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.299 30.488 45.986 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.526 30.846 44.285 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.986 28.543 45.544 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.560 29.497 44.137 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.723 27.002 43.922 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.937 28.241 42.700 1.00 0.00 H new ATOM 718 N LEU A 47 48.036 29.412 47.058 1.00 0.00 N ATOM 719 CA LEU A 47 48.559 29.053 48.386 1.00 0.00 C ATOM 720 C LEU A 47 48.932 30.244 49.289 1.00 0.00 C ATOM 721 O LEU A 47 49.042 30.051 50.499 1.00 0.00 O ATOM 722 CB LEU A 47 49.794 28.144 48.201 1.00 0.00 C ATOM 723 CG LEU A 47 49.530 26.691 47.779 1.00 0.00 C ATOM 724 CD1 LEU A 47 50.862 25.968 47.572 1.00 0.00 C ATOM 725 CD2 LEU A 47 48.723 25.911 48.821 1.00 0.00 C ATOM 0 H LEU A 47 48.481 30.239 46.659 1.00 0.00 H new ATOM 0 HA LEU A 47 47.745 28.545 48.903 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.443 28.601 47.454 1.00 0.00 H new ATOM 0 HB3 LEU A 47 50.348 28.129 49.139 1.00 0.00 H new ATOM 0 HG LEU A 47 48.950 26.731 46.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.674 24.937 47.273 1.00 0.00 H new ATOM 0 HD12 LEU A 47 51.433 26.473 46.793 1.00 0.00 H new ATOM 0 HD13 LEU A 47 51.430 25.978 48.502 1.00 0.00 H new ATOM 0 HD21 LEU A 47 48.566 24.891 48.471 1.00 0.00 H new ATOM 0 HD22 LEU A 47 49.270 25.891 49.764 1.00 0.00 H new ATOM 0 HD23 LEU A 47 47.758 26.395 48.971 1.00 0.00 H new ATOM 737 N PHE A 48 49.137 31.460 48.757 1.00 0.00 N ATOM 738 CA PHE A 48 49.757 32.555 49.518 1.00 0.00 C ATOM 739 C PHE A 48 48.997 33.871 49.320 1.00 0.00 C ATOM 740 O PHE A 48 48.679 34.240 48.196 1.00 0.00 O ATOM 741 CB PHE A 48 51.233 32.703 49.100 1.00 0.00 C ATOM 742 CG PHE A 48 51.981 31.394 48.892 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.244 30.556 49.991 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.348 30.976 47.597 1.00 0.00 C ATOM 745 CE1 PHE A 48 52.863 29.308 49.799 1.00 0.00 C ATOM 746 CE2 PHE A 48 52.971 29.729 47.404 1.00 0.00 C ATOM 747 CZ PHE A 48 53.216 28.890 48.504 1.00 0.00 C ATOM 0 H PHE A 48 48.882 31.709 47.801 1.00 0.00 H new ATOM 0 HA PHE A 48 49.711 32.312 50.580 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.276 33.279 48.175 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.753 33.283 49.862 1.00 0.00 H new ATOM 0 HD1 PHE A 48 51.969 30.873 50.986 1.00 0.00 H new ATOM 0 HD2 PHE A 48 52.150 31.615 46.749 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.067 28.671 50.647 1.00 0.00 H new ATOM 0 HE2 PHE A 48 53.260 29.417 46.411 1.00 0.00 H new ATOM 0 HZ PHE A 48 53.675 27.924 48.355 1.00 0.00 H new ATOM 757 N SER A 49 48.728 34.623 50.385 1.00 0.00 N ATOM 758 CA SER A 49 47.967 35.867 50.359 1.00 0.00 C ATOM 759 C SER A 49 48.896 37.079 50.422 1.00 0.00 C ATOM 760 O SER A 49 49.629 37.298 51.386 1.00 0.00 O ATOM 761 CB SER A 49 46.908 35.875 51.466 1.00 0.00 C ATOM 762 OG SER A 49 47.359 35.256 52.663 1.00 0.00 O ATOM 0 H SER A 49 49.046 34.373 51.322 1.00 0.00 H new ATOM 0 HA SER A 49 47.435 35.933 49.410 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.621 36.904 51.680 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.014 35.362 51.111 1.00 0.00 H new ATOM 0 HG SER A 49 46.619 35.203 53.303 1.00 0.00 H new ATOM 768 N SER A 50 48.787 37.929 49.403 1.00 0.00 N ATOM 769 CA SER A 50 49.532 39.204 49.262 1.00 0.00 C ATOM 770 C SER A 50 49.268 40.194 50.394 1.00 0.00 C ATOM 771 O SER A 50 49.983 41.166 50.590 1.00 0.00 O ATOM 772 CB SER A 50 49.088 39.886 47.978 1.00 0.00 C ATOM 773 OG SER A 50 50.011 40.869 47.546 1.00 0.00 O ATOM 0 H SER A 50 48.159 37.754 48.619 1.00 0.00 H new ATOM 0 HA SER A 50 50.591 38.944 49.271 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.965 39.137 47.195 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.113 40.349 48.133 1.00 0.00 H new ATOM 0 HG SER A 50 50.904 40.471 47.476 1.00 0.00 H new ATOM 779 N GLU A 51 48.209 39.919 51.131 1.00 0.00 N ATOM 780 CA GLU A 51 47.674 40.600 52.286 1.00 0.00 C ATOM 781 C GLU A 51 48.663 40.695 53.440 1.00 0.00 C ATOM 782 O GLU A 51 48.671 41.650 54.207 1.00 0.00 O ATOM 783 CB GLU A 51 46.521 39.697 52.720 1.00 0.00 C ATOM 784 CG GLU A 51 45.317 40.488 53.141 1.00 0.00 C ATOM 785 CD GLU A 51 44.484 39.657 54.117 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.989 39.365 55.230 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.403 39.166 53.722 1.00 0.00 O ATOM 0 H GLU A 51 47.634 39.109 50.900 1.00 0.00 H new ATOM 0 HA GLU A 51 47.402 41.626 52.038 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.250 39.034 51.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.847 39.065 53.546 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.627 41.421 53.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.719 40.754 52.269 1.00 0.00 H new ATOM 794 N LYS A 52 49.524 39.680 53.528 1.00 0.00 N ATOM 795 CA LYS A 52 50.592 39.576 54.518 1.00 0.00 C ATOM 796 C LYS A 52 51.754 40.524 54.203 1.00 0.00 C ATOM 797 O LYS A 52 52.782 40.486 54.876 1.00 0.00 O ATOM 798 CB LYS A 52 51.011 38.102 54.684 1.00 0.00 C ATOM 799 CG LYS A 52 50.433 37.425 55.940 1.00 0.00 C ATOM 800 CD LYS A 52 48.946 37.629 56.235 1.00 0.00 C ATOM 801 CE LYS A 52 48.078 37.212 55.053 1.00 0.00 C ATOM 802 NZ LYS A 52 46.629 37.141 55.384 1.00 0.00 N ATOM 0 H LYS A 52 49.495 38.884 52.891 1.00 0.00 H new ATOM 0 HA LYS A 52 50.219 39.909 55.487 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.693 37.543 53.804 1.00 0.00 H new ATOM 0 HB3 LYS A 52 52.099 38.046 54.722 1.00 0.00 H new ATOM 0 HG2 LYS A 52 50.615 36.353 55.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.998 37.779 56.802 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.666 37.050 57.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.762 38.677 56.471 1.00 0.00 H new ATOM 0 HE2 LYS A 52 48.223 37.920 54.237 1.00 0.00 H new ATOM 0 HE3 LYS A 52 48.410 36.238 54.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.133 36.589 54.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.506 36.682 56.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 46.234 38.102 55.420 1.00 0.00 H new ATOM 816 N LYS A 53 51.647 41.365 53.167 1.00 0.00 N ATOM 817 CA LYS A 53 52.695 42.332 52.840 1.00 0.00 C ATOM 818 C LYS A 53 52.947 43.372 53.935 1.00 0.00 C ATOM 819 O LYS A 53 52.026 43.982 54.476 1.00 0.00 O ATOM 820 CB LYS A 53 52.396 42.987 51.498 1.00 0.00 C ATOM 821 CG LYS A 53 52.973 42.121 50.392 1.00 0.00 C ATOM 822 CD LYS A 53 52.840 42.784 49.019 1.00 0.00 C ATOM 823 CE LYS A 53 54.211 42.765 48.350 1.00 0.00 C ATOM 824 NZ LYS A 53 54.716 41.373 48.181 1.00 0.00 N ATOM 0 H LYS A 53 50.842 41.393 52.541 1.00 0.00 H new ATOM 0 HA LYS A 53 53.628 41.773 52.768 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.320 43.102 51.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.830 43.986 51.461 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.025 41.922 50.598 1.00 0.00 H new ATOM 0 HG3 LYS A 53 52.462 41.158 50.381 1.00 0.00 H new ATOM 0 HD2 LYS A 53 52.111 42.252 48.408 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.481 43.808 49.124 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.149 43.252 47.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 54.918 43.339 48.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 55.441 41.355 47.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 55.131 41.043 49.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 53.929 40.748 47.913 1.00 0.00 H new ATOM 838 N TYR A 54 54.236 43.577 54.194 1.00 0.00 N ATOM 839 CA TYR A 54 54.807 44.454 55.230 1.00 0.00 C ATOM 840 C TYR A 54 55.885 45.391 54.647 1.00 0.00 C ATOM 841 O TYR A 54 56.741 44.921 53.892 1.00 0.00 O ATOM 842 CB TYR A 54 55.342 43.575 56.373 1.00 0.00 C ATOM 843 CG TYR A 54 56.536 44.112 57.148 1.00 0.00 C ATOM 844 CD1 TYR A 54 56.404 45.253 57.963 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.785 43.465 57.055 1.00 0.00 C ATOM 846 CE1 TYR A 54 57.519 45.762 58.656 1.00 0.00 C ATOM 847 CE2 TYR A 54 58.898 43.963 57.761 1.00 0.00 C ATOM 848 CZ TYR A 54 58.772 45.119 58.557 1.00 0.00 C ATOM 849 OH TYR A 54 59.846 45.602 59.235 1.00 0.00 O ATOM 0 H TYR A 54 54.963 43.107 53.654 1.00 0.00 H new ATOM 0 HA TYR A 54 54.033 45.111 55.627 1.00 0.00 H new ATOM 0 HB2 TYR A 54 54.529 43.402 57.078 1.00 0.00 H new ATOM 0 HB3 TYR A 54 55.615 42.605 55.957 1.00 0.00 H new ATOM 0 HD1 TYR A 54 55.444 45.739 58.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.889 42.584 56.440 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.415 46.648 59.266 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.850 43.458 57.692 1.00 0.00 H new ATOM 0 HH TYR A 54 60.627 45.038 59.055 1.00 0.00 H new ATOM 933 N PRO A 61 60.133 42.923 47.616 1.00 0.00 N ATOM 934 CA PRO A 61 58.928 42.101 47.801 1.00 0.00 C ATOM 935 C PRO A 61 58.951 41.170 49.028 1.00 0.00 C ATOM 936 O PRO A 61 59.747 40.242 49.110 1.00 0.00 O ATOM 937 CB PRO A 61 58.808 41.280 46.516 1.00 0.00 C ATOM 938 CG PRO A 61 60.252 41.143 46.033 1.00 0.00 C ATOM 939 CD PRO A 61 60.859 42.489 46.427 1.00 0.00 C ATOM 0 HA PRO A 61 58.078 42.756 47.992 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.355 40.306 46.704 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.185 41.783 45.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.764 40.310 46.515 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.306 40.972 44.958 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.925 42.391 46.634 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.756 43.215 45.620 1.00 0.00 H new ATOM 947 N SER A 62 57.987 41.326 49.939 1.00 0.00 N ATOM 948 CA SER A 62 57.877 40.525 51.163 1.00 0.00 C ATOM 949 C SER A 62 56.483 39.921 51.405 1.00 0.00 C ATOM 950 O SER A 62 55.548 40.149 50.628 1.00 0.00 O ATOM 951 CB SER A 62 58.285 41.427 52.329 1.00 0.00 C ATOM 952 OG SER A 62 57.263 42.376 52.610 1.00 0.00 O ATOM 0 H SER A 62 57.249 42.023 49.846 1.00 0.00 H new ATOM 0 HA SER A 62 58.534 39.661 51.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.479 40.821 53.214 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.213 41.945 52.088 1.00 0.00 H new ATOM 0 HG SER A 62 57.645 43.132 53.102 1.00 0.00 H new ATOM 958 N PHE A 63 56.366 39.162 52.497 1.00 0.00 N ATOM 959 CA PHE A 63 55.186 38.758 53.257 1.00 0.00 C ATOM 960 C PHE A 63 55.666 38.415 54.671 1.00 0.00 C ATOM 961 O PHE A 63 56.766 37.906 54.857 1.00 0.00 O ATOM 962 CB PHE A 63 54.426 37.614 52.574 1.00 0.00 C ATOM 963 CG PHE A 63 55.188 36.356 52.194 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.461 35.373 53.164 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.515 36.111 50.846 1.00 0.00 C ATOM 966 CE1 PHE A 63 56.041 34.149 52.787 1.00 0.00 C ATOM 967 CE2 PHE A 63 56.095 34.886 50.471 1.00 0.00 C ATOM 968 CZ PHE A 63 56.356 33.903 51.440 1.00 0.00 C ATOM 0 H PHE A 63 57.206 38.767 52.921 1.00 0.00 H new ATOM 0 HA PHE A 63 54.456 39.566 53.307 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.610 37.319 53.234 1.00 0.00 H new ATOM 0 HB3 PHE A 63 53.974 38.013 51.666 1.00 0.00 H new ATOM 0 HD1 PHE A 63 55.224 35.560 54.201 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.320 36.866 50.099 1.00 0.00 H new ATOM 0 HE1 PHE A 63 56.245 33.396 53.534 1.00 0.00 H new ATOM 0 HE2 PHE A 63 56.340 34.701 49.436 1.00 0.00 H new ATOM 0 HZ PHE A 63 56.798 32.961 51.150 1.00 0.00 H new ATOM 978 N SER A 64 54.874 38.757 55.678 1.00 0.00 N ATOM 979 CA SER A 64 55.096 38.324 57.062 1.00 0.00 C ATOM 980 C SER A 64 54.740 36.849 57.249 1.00 0.00 C ATOM 981 O SER A 64 55.450 36.152 57.967 1.00 0.00 O ATOM 982 CB SER A 64 54.319 39.210 58.039 1.00 0.00 C ATOM 983 OG SER A 64 52.944 39.240 57.707 1.00 0.00 O ATOM 0 H SER A 64 54.051 39.348 55.562 1.00 0.00 H new ATOM 0 HA SER A 64 56.159 38.432 57.280 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.444 38.835 59.055 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.724 40.222 58.020 1.00 0.00 H new ATOM 0 HG SER A 64 52.466 39.810 58.345 1.00 0.00 H new ATOM 989 N GLU A 65 53.711 36.339 56.556 1.00 0.00 N ATOM 990 CA GLU A 65 53.367 34.907 56.590 1.00 0.00 C ATOM 991 C GLU A 65 52.804 34.364 55.270 1.00 0.00 C ATOM 992 O GLU A 65 52.202 35.071 54.463 1.00 0.00 O ATOM 993 CB GLU A 65 52.384 34.557 57.717 1.00 0.00 C ATOM 994 CG GLU A 65 52.951 34.684 59.134 1.00 0.00 C ATOM 995 CD GLU A 65 52.040 33.980 60.141 1.00 0.00 C ATOM 996 OE1 GLU A 65 51.055 34.604 60.609 1.00 0.00 O ATOM 997 OE2 GLU A 65 52.297 32.799 60.475 1.00 0.00 O ATOM 0 H GLU A 65 53.099 36.899 55.962 1.00 0.00 H new ATOM 0 HA GLU A 65 54.326 34.423 56.775 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.512 35.205 57.632 1.00 0.00 H new ATOM 0 HB3 GLU A 65 52.037 33.534 57.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 53.950 34.249 59.173 1.00 0.00 H new ATOM 0 HG3 GLU A 65 53.051 35.737 59.399 1.00 0.00 H new ATOM 1004 N ALA A 66 52.934 33.050 55.120 1.00 0.00 N ATOM 1005 CA ALA A 66 52.260 32.231 54.116 1.00 0.00 C ATOM 1006 C ALA A 66 50.878 31.778 54.640 1.00 0.00 C ATOM 1007 O ALA A 66 50.673 30.614 54.978 1.00 0.00 O ATOM 1008 CB ALA A 66 53.196 31.069 53.753 1.00 0.00 C ATOM 0 H ALA A 66 53.543 32.499 55.725 1.00 0.00 H new ATOM 0 HA ALA A 66 52.056 32.795 53.206 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.719 30.438 53.003 1.00 0.00 H new ATOM 0 HB2 ALA A 66 54.130 31.465 53.353 1.00 0.00 H new ATOM 0 HB3 ALA A 66 53.405 30.478 54.645 1.00 0.00 H new ATOM 1162 N GLY A 78 51.455 21.103 50.604 1.00 0.00 N ATOM 1163 CA GLY A 78 52.376 20.666 49.569 1.00 0.00 C ATOM 1164 C GLY A 78 53.774 21.269 49.719 1.00 0.00 C ATOM 1165 O GLY A 78 54.515 21.239 48.743 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.451 19.579 49.593 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.972 20.937 48.593 1.00 0.00 H new ATOM 1169 N ILE A 79 54.149 21.808 50.894 1.00 0.00 N ATOM 1170 CA ILE A 79 55.467 22.444 51.105 1.00 0.00 C ATOM 1171 C ILE A 79 56.350 21.753 52.163 1.00 0.00 C ATOM 1172 O ILE A 79 55.875 21.090 53.091 1.00 0.00 O ATOM 1173 CB ILE A 79 55.349 23.966 51.353 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.943 24.278 52.808 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.463 24.639 50.286 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.565 25.738 53.083 1.00 0.00 C ATOM 0 H ILE A 79 53.552 21.816 51.721 1.00 0.00 H new ATOM 0 HA ILE A 79 55.996 22.302 50.162 1.00 0.00 H new ATOM 0 HB ILE A 79 56.336 24.413 51.235 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.098 23.644 53.076 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.768 24.003 53.465 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.399 25.708 50.488 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.898 24.481 49.299 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.464 24.204 50.316 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.296 25.853 54.133 1.00 0.00 H new ATOM 0 HD12 ILE A 79 55.413 26.383 52.853 1.00 0.00 H new ATOM 0 HD13 ILE A 79 53.717 26.018 52.458 1.00 0.00 H new ATOM 1188 N LEU A 80 57.655 21.966 52.021 1.00 0.00 N ATOM 1189 CA LEU A 80 58.754 21.507 52.874 1.00 0.00 C ATOM 1190 C LEU A 80 59.767 22.640 53.114 1.00 0.00 C ATOM 1191 O LEU A 80 59.657 23.737 52.566 1.00 0.00 O ATOM 1192 CB LEU A 80 59.410 20.260 52.261 1.00 0.00 C ATOM 1193 CG LEU A 80 59.493 19.088 53.247 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.768 17.808 52.474 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.550 19.250 54.343 1.00 0.00 C ATOM 0 H LEU A 80 58.005 22.514 51.235 1.00 0.00 H new ATOM 0 HA LEU A 80 58.358 21.225 53.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.843 19.951 51.383 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.414 20.513 51.919 1.00 0.00 H new ATOM 0 HG LEU A 80 58.532 19.055 53.759 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.829 16.970 53.168 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.961 17.632 51.762 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.712 17.903 51.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 60.537 18.375 54.993 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.535 19.349 53.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.331 20.142 54.931 1.00 0.00 H new ATOM 1207 N ARG A 81 60.781 22.369 53.934 1.00 0.00 N ATOM 1208 CA ARG A 81 61.848 23.310 54.294 1.00 0.00 C ATOM 1209 C ARG A 81 63.230 22.672 54.328 1.00 0.00 C ATOM 1210 O ARG A 81 63.394 21.550 54.805 1.00 0.00 O ATOM 1211 CB ARG A 81 61.502 24.068 55.588 1.00 0.00 C ATOM 1212 CG ARG A 81 60.834 23.318 56.748 1.00 0.00 C ATOM 1213 CD ARG A 81 61.710 22.316 57.507 1.00 0.00 C ATOM 1214 NE ARG A 81 61.030 21.894 58.750 1.00 0.00 N ATOM 1215 CZ ARG A 81 61.576 21.536 59.898 1.00 0.00 C ATOM 1216 NH1 ARG A 81 62.866 21.450 60.050 1.00 0.00 N ATOM 1217 NH2 ARG A 81 60.832 21.270 60.929 1.00 0.00 N ATOM 0 H ARG A 81 60.889 21.459 54.382 1.00 0.00 H new ATOM 0 HA ARG A 81 61.905 24.047 53.493 1.00 0.00 H new ATOM 0 HB2 ARG A 81 62.426 24.502 55.969 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.849 24.897 55.316 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.461 24.054 57.461 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.967 22.786 56.356 1.00 0.00 H new ATOM 0 HD2 ARG A 81 61.912 21.448 56.880 1.00 0.00 H new ATOM 0 HD3 ARG A 81 62.673 22.768 57.744 1.00 0.00 H new ATOM 0 HE ARG A 81 60.011 21.877 58.717 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.487 21.662 59.269 1.00 0.00 H new ATOM 0 HH12 ARG A 81 63.256 21.171 60.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 59.817 21.337 60.856 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.263 20.994 61.811 1.00 0.00 H new ATOM 1231 N ARG A 82 64.223 23.434 53.867 1.00 0.00 N ATOM 1232 CA ARG A 82 65.652 23.108 53.919 1.00 0.00 C ATOM 1233 C ARG A 82 66.410 24.349 54.375 1.00 0.00 C ATOM 1234 O ARG A 82 66.449 25.385 53.722 1.00 0.00 O ATOM 1235 CB ARG A 82 66.163 22.544 52.582 1.00 0.00 C ATOM 1236 CG ARG A 82 67.268 21.485 52.761 1.00 0.00 C ATOM 1237 CD ARG A 82 68.506 22.009 53.497 1.00 0.00 C ATOM 1238 NE ARG A 82 69.669 21.104 53.403 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.988 20.104 54.207 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.214 19.643 55.145 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.132 19.501 54.105 1.00 0.00 N ATOM 0 H ARG A 82 64.047 24.337 53.427 1.00 0.00 H new ATOM 0 HA ARG A 82 65.825 22.309 54.641 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.329 22.103 52.037 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.546 23.362 51.971 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.861 20.636 53.311 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.568 21.115 51.780 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.778 22.982 53.088 1.00 0.00 H new ATOM 0 HD3 ARG A 82 68.258 22.162 54.547 1.00 0.00 H new ATOM 0 HE ARG A 82 70.304 21.271 52.622 1.00 0.00 H new ATOM 0 HH11 ARG A 82 68.294 20.057 55.297 1.00 0.00 H new ATOM 0 HH12 ARG A 82 69.527 18.867 55.729 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.803 19.796 53.396 1.00 0.00 H new ATOM 0 HH22 ARG A 82 71.361 18.731 54.734 1.00 0.00 H new ATOM 1255 N LEU A 83 66.962 24.222 55.565 1.00 0.00 N ATOM 1256 CA LEU A 83 67.766 25.222 56.240 1.00 0.00 C ATOM 1257 C LEU A 83 69.207 25.214 55.719 1.00 0.00 C ATOM 1258 O LEU A 83 69.704 24.186 55.266 1.00 0.00 O ATOM 1259 CB LEU A 83 67.748 24.965 57.753 1.00 0.00 C ATOM 1260 CG LEU A 83 66.490 25.390 58.522 1.00 0.00 C ATOM 1261 CD1 LEU A 83 65.197 24.698 58.071 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.671 25.108 60.013 1.00 0.00 C ATOM 0 H LEU A 83 66.856 23.371 56.118 1.00 0.00 H new ATOM 0 HA LEU A 83 67.340 26.204 56.035 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.899 23.898 57.916 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.603 25.479 58.193 1.00 0.00 H new ATOM 0 HG LEU A 83 66.379 26.454 58.312 1.00 0.00 H new ATOM 0 HD11 LEU A 83 64.362 25.061 58.670 1.00 0.00 H new ATOM 0 HD12 LEU A 83 65.013 24.920 57.020 1.00 0.00 H new ATOM 0 HD13 LEU A 83 65.296 23.620 58.202 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.774 25.412 60.552 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.841 24.042 60.164 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.527 25.668 60.388 1.00 0.00 H new ATOM 1274 N ASP A 84 69.896 26.335 55.892 1.00 0.00 N ATOM 1275 CA ASP A 84 71.358 26.371 55.896 1.00 0.00 C ATOM 1276 C ASP A 84 71.808 27.160 57.124 1.00 0.00 C ATOM 1277 O ASP A 84 71.619 28.366 57.211 1.00 0.00 O ATOM 1278 CB ASP A 84 71.916 26.946 54.584 1.00 0.00 C ATOM 1279 CG ASP A 84 73.435 26.757 54.452 1.00 0.00 C ATOM 1280 OD1 ASP A 84 74.117 26.505 55.478 1.00 0.00 O ATOM 1281 OD2 ASP A 84 73.922 26.825 53.302 1.00 0.00 O ATOM 0 H ASP A 84 69.460 27.246 56.034 1.00 0.00 H new ATOM 0 HA ASP A 84 71.758 25.359 55.957 1.00 0.00 H new ATOM 0 HB2 ASP A 84 71.420 26.465 53.741 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.680 28.009 54.529 1.00 0.00 H new ATOM 1286 N THR A 85 72.374 26.467 58.109 1.00 0.00 N ATOM 1287 CA THR A 85 72.990 27.075 59.300 1.00 0.00 C ATOM 1288 C THR A 85 74.483 26.717 59.355 1.00 0.00 C ATOM 1289 O THR A 85 75.118 26.652 60.405 1.00 0.00 O ATOM 1290 CB THR A 85 72.163 26.740 60.555 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.582 27.510 61.653 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.188 25.265 60.959 1.00 0.00 C ATOM 0 H THR A 85 72.422 25.448 58.108 1.00 0.00 H new ATOM 0 HA THR A 85 72.969 28.164 59.247 1.00 0.00 H new ATOM 0 HB THR A 85 71.137 26.980 60.277 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.559 27.481 61.719 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.579 25.122 61.852 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.788 24.658 60.146 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.214 24.962 61.167 1.00 0.00 H new ATOM 1300 N SER A 86 75.049 26.419 58.186 1.00 0.00 N ATOM 1301 CA SER A 86 76.227 25.577 57.982 1.00 0.00 C ATOM 1302 C SER A 86 77.379 26.294 57.292 1.00 0.00 C ATOM 1303 O SER A 86 78.500 25.792 57.260 1.00 0.00 O ATOM 1304 CB SER A 86 75.831 24.296 57.228 1.00 0.00 C ATOM 1305 OG SER A 86 74.497 24.296 56.740 1.00 0.00 O ATOM 0 H SER A 86 74.677 26.779 57.307 1.00 0.00 H new ATOM 0 HA SER A 86 76.604 25.314 58.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.513 24.156 56.389 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.963 23.442 57.892 1.00 0.00 H new ATOM 0 HG SER A 86 74.427 24.909 55.979 1.00 0.00 H new ATOM 1311 N LEU A 87 77.115 27.518 56.851 1.00 0.00 N ATOM 1312 CA LEU A 87 78.077 28.499 56.334 1.00 0.00 C ATOM 1313 C LEU A 87 78.365 29.636 57.337 1.00 0.00 C ATOM 1314 O LEU A 87 78.818 30.717 56.974 1.00 0.00 O ATOM 1315 CB LEU A 87 77.609 29.003 54.959 1.00 0.00 C ATOM 1316 CG LEU A 87 77.422 27.916 53.884 1.00 0.00 C ATOM 1317 CD1 LEU A 87 77.032 28.569 52.557 1.00 0.00 C ATOM 1318 CD2 LEU A 87 78.677 27.073 53.645 1.00 0.00 C ATOM 0 H LEU A 87 76.162 27.881 56.842 1.00 0.00 H new ATOM 0 HA LEU A 87 79.040 28.006 56.200 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.663 29.530 55.087 1.00 0.00 H new ATOM 0 HB3 LEU A 87 78.332 29.731 54.593 1.00 0.00 H new ATOM 0 HG LEU A 87 76.640 27.253 54.255 1.00 0.00 H new ATOM 0 HD11 LEU A 87 76.900 27.799 51.797 1.00 0.00 H new ATOM 0 HD12 LEU A 87 76.099 29.119 52.682 1.00 0.00 H new ATOM 0 HD13 LEU A 87 77.819 29.256 52.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 78.474 26.328 52.876 1.00 0.00 H new ATOM 0 HD22 LEU A 87 79.492 27.719 53.318 1.00 0.00 H new ATOM 0 HD23 LEU A 87 78.960 26.572 54.570 1.00 0.00 H new ATOM 1330 N GLY A 88 78.049 29.404 58.615 1.00 0.00 N ATOM 1331 CA GLY A 88 78.245 30.356 59.721 1.00 0.00 C ATOM 1332 C GLY A 88 77.152 31.420 59.874 1.00 0.00 C ATOM 1333 O GLY A 88 77.138 32.159 60.858 1.00 0.00 O ATOM 0 H GLY A 88 77.637 28.523 58.921 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.315 29.795 60.653 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.201 30.860 59.579 1.00 0.00 H new ATOM 1337 N CYS A 89 76.221 31.475 58.924 1.00 0.00 N ATOM 1338 CA CYS A 89 75.132 32.454 58.843 1.00 0.00 C ATOM 1339 C CYS A 89 73.786 31.720 58.684 1.00 0.00 C ATOM 1340 O CYS A 89 73.602 31.062 57.658 1.00 0.00 O ATOM 1341 CB CYS A 89 75.449 33.385 57.664 1.00 0.00 C ATOM 1342 SG CYS A 89 74.173 34.668 57.506 1.00 0.00 S ATOM 0 H CYS A 89 76.202 30.808 58.152 1.00 0.00 H new ATOM 0 HA CYS A 89 75.048 33.052 59.751 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.424 33.850 57.812 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.508 32.807 56.742 1.00 0.00 H new ATOM 0 HG CYS A 89 74.461 35.446 56.505 1.00 0.00 H new ATOM 1348 N PRO A 90 72.864 31.762 59.670 1.00 0.00 N ATOM 1349 CA PRO A 90 71.662 30.929 59.666 1.00 0.00 C ATOM 1350 C PRO A 90 70.548 31.445 58.749 1.00 0.00 C ATOM 1351 O PRO A 90 70.063 32.570 58.875 1.00 0.00 O ATOM 1352 CB PRO A 90 71.202 30.848 61.119 1.00 0.00 C ATOM 1353 CG PRO A 90 71.701 32.165 61.715 1.00 0.00 C ATOM 1354 CD PRO A 90 73.017 32.399 60.971 1.00 0.00 C ATOM 0 HA PRO A 90 71.900 29.947 59.256 1.00 0.00 H new ATOM 0 HB2 PRO A 90 70.118 30.756 61.194 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.631 29.986 61.630 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.993 32.977 61.550 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.853 32.089 62.792 1.00 0.00 H new ATOM 0 HD2 PRO A 90 73.219 33.465 60.862 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.856 31.970 61.519 1.00 0.00 H new ATOM 1362 N ARG A 91 70.099 30.561 57.860 1.00 0.00 N ATOM 1363 CA ARG A 91 69.096 30.764 56.806 1.00 0.00 C ATOM 1364 C ARG A 91 68.030 29.666 56.871 1.00 0.00 C ATOM 1365 O ARG A 91 68.300 28.523 57.242 1.00 0.00 O ATOM 1366 CB ARG A 91 69.744 30.680 55.411 1.00 0.00 C ATOM 1367 CG ARG A 91 70.990 31.544 55.188 1.00 0.00 C ATOM 1368 CD ARG A 91 70.760 33.008 55.572 1.00 0.00 C ATOM 1369 NE ARG A 91 71.839 33.847 55.021 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.771 34.679 53.999 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.644 35.088 53.497 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.860 35.097 53.429 1.00 0.00 N ATOM 0 H ARG A 91 70.454 29.605 57.854 1.00 0.00 H new ATOM 0 HA ARG A 91 68.655 31.748 56.964 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.010 29.640 55.219 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.996 30.960 54.669 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.817 31.143 55.774 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.285 31.488 54.140 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.796 33.345 55.192 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.728 33.108 56.657 1.00 0.00 H new ATOM 0 HE ARG A 91 72.745 33.776 55.484 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.762 34.765 53.894 1.00 0.00 H new ATOM 0 HH12 ARG A 91 70.642 35.732 52.706 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.768 34.782 53.771 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.808 35.740 52.639 1.00 0.00 H new ATOM 1386 N MET A 92 66.843 29.987 56.382 1.00 0.00 N ATOM 1387 CA MET A 92 65.755 29.073 56.098 1.00 0.00 C ATOM 1388 C MET A 92 65.301 29.303 54.654 1.00 0.00 C ATOM 1389 O MET A 92 64.974 30.426 54.273 1.00 0.00 O ATOM 1390 CB MET A 92 64.613 29.348 57.071 1.00 0.00 C ATOM 1391 CG MET A 92 64.546 28.385 58.251 1.00 0.00 C ATOM 1392 SD MET A 92 63.265 28.774 59.472 1.00 0.00 S ATOM 1393 CE MET A 92 64.068 30.144 60.345 1.00 0.00 C ATOM 0 H MET A 92 66.602 30.953 56.160 1.00 0.00 H new ATOM 0 HA MET A 92 66.072 28.037 56.216 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.713 30.364 57.452 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.670 29.303 56.527 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.374 27.378 57.871 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.515 28.376 58.751 1.00 0.00 H new ATOM 0 HE1 MET A 92 63.435 30.471 61.170 1.00 0.00 H new ATOM 0 HE2 MET A 92 65.030 29.812 60.736 1.00 0.00 H new ATOM 0 HE3 MET A 92 64.223 30.974 59.655 1.00 0.00 H new ATOM 1403 N GLU A 93 65.242 28.249 53.849 1.00 0.00 N ATOM 1404 CA GLU A 93 64.564 28.291 52.542 1.00 0.00 C ATOM 1405 C GLU A 93 63.480 27.202 52.483 1.00 0.00 C ATOM 1406 O GLU A 93 63.591 26.138 53.102 1.00 0.00 O ATOM 1407 CB GLU A 93 65.603 28.318 51.398 1.00 0.00 C ATOM 1408 CG GLU A 93 65.061 28.105 49.967 1.00 0.00 C ATOM 1409 CD GLU A 93 66.132 28.316 48.877 1.00 0.00 C ATOM 1410 OE1 GLU A 93 66.920 27.382 48.592 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.226 29.431 48.294 1.00 0.00 O ATOM 0 H GLU A 93 65.656 27.344 54.073 1.00 0.00 H new ATOM 0 HA GLU A 93 64.012 29.220 52.401 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.118 29.278 51.428 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.350 27.549 51.598 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.660 27.095 49.883 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.233 28.792 49.792 1.00 0.00 H new ATOM 1418 N VAL A 94 62.372 27.512 51.809 1.00 0.00 N ATOM 1419 CA VAL A 94 61.199 26.646 51.702 1.00 0.00 C ATOM 1420 C VAL A 94 61.032 26.189 50.262 1.00 0.00 C ATOM 1421 O VAL A 94 61.314 26.929 49.317 1.00 0.00 O ATOM 1422 CB VAL A 94 59.917 27.288 52.266 1.00 0.00 C ATOM 1423 CG1 VAL A 94 60.025 27.536 53.774 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.530 28.625 51.627 1.00 0.00 C ATOM 0 H VAL A 94 62.263 28.395 51.310 1.00 0.00 H new ATOM 0 HA VAL A 94 61.371 25.771 52.329 1.00 0.00 H new ATOM 0 HB VAL A 94 59.146 26.555 52.028 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.102 27.990 54.135 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.189 26.589 54.288 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.861 28.206 53.974 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.616 28.998 52.089 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.333 29.346 51.778 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.365 28.484 50.559 1.00 0.00 H new ATOM 1434 N VAL A 95 60.575 24.953 50.103 1.00 0.00 N ATOM 1435 CA VAL A 95 60.350 24.321 48.799 1.00 0.00 C ATOM 1436 C VAL A 95 58.950 23.739 48.702 1.00 0.00 C ATOM 1437 O VAL A 95 58.357 23.326 49.696 1.00 0.00 O ATOM 1438 CB VAL A 95 61.410 23.258 48.433 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.839 23.805 48.533 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.323 21.981 49.279 1.00 0.00 C ATOM 0 H VAL A 95 60.344 24.346 50.889 1.00 0.00 H new ATOM 0 HA VAL A 95 60.452 25.120 48.065 1.00 0.00 H new ATOM 0 HB VAL A 95 61.181 23.001 47.399 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.548 23.021 48.266 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.955 24.647 47.850 1.00 0.00 H new ATOM 0 HG13 VAL A 95 63.031 24.136 49.553 1.00 0.00 H new ATOM 0 HG21 VAL A 95 62.098 21.282 48.964 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.465 22.231 50.330 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.344 21.521 49.144 1.00 0.00 H new ATOM 1450 N CYS A 96 58.441 23.681 47.485 1.00 0.00 N ATOM 1451 CA CYS A 96 57.207 23.090 47.109 1.00 0.00 C ATOM 1452 C CYS A 96 57.538 21.654 46.700 1.00 0.00 C ATOM 1453 O CYS A 96 58.326 21.378 45.802 1.00 0.00 O ATOM 1454 CB CYS A 96 56.634 23.979 46.014 1.00 0.00 C ATOM 1455 SG CYS A 96 55.103 23.241 45.416 1.00 0.00 S ATOM 0 H CYS A 96 58.932 24.082 46.686 1.00 0.00 H new ATOM 0 HA CYS A 96 56.444 23.024 47.885 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.445 24.981 46.400 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.349 24.081 45.197 1.00 0.00 H new ATOM 0 HG CYS A 96 54.794 23.757 44.263 1.00 0.00 H new ATOM 1460 N LYS A 97 56.937 20.745 47.435 1.00 0.00 N ATOM 1461 CA LYS A 97 56.857 19.303 47.155 1.00 0.00 C ATOM 1462 C LYS A 97 55.956 19.000 45.940 1.00 0.00 C ATOM 1463 O LYS A 97 56.034 17.905 45.396 1.00 0.00 O ATOM 1464 CB LYS A 97 56.492 18.602 48.482 1.00 0.00 C ATOM 1465 CG LYS A 97 55.870 17.210 48.377 1.00 0.00 C ATOM 1466 CD LYS A 97 54.345 17.330 48.245 1.00 0.00 C ATOM 1467 CE LYS A 97 53.728 15.989 47.878 1.00 0.00 C ATOM 1468 NZ LYS A 97 52.247 16.059 47.827 1.00 0.00 N ATOM 0 H LYS A 97 56.457 20.994 48.300 1.00 0.00 H new ATOM 0 HA LYS A 97 57.812 18.892 46.828 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.396 18.525 49.086 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.799 19.244 49.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.278 16.683 47.515 1.00 0.00 H new ATOM 0 HG3 LYS A 97 56.123 16.621 49.259 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.921 17.686 49.184 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.098 18.070 47.483 1.00 0.00 H new ATOM 0 HE2 LYS A 97 54.110 15.666 46.910 1.00 0.00 H new ATOM 0 HE3 LYS A 97 54.031 15.238 48.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 51.862 15.118 47.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 51.882 16.375 48.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 51.956 16.733 47.090 1.00 0.00 H new ATOM 1482 N GLN A 98 55.110 19.936 45.502 1.00 0.00 N ATOM 1483 CA GLN A 98 54.208 19.757 44.366 1.00 0.00 C ATOM 1484 C GLN A 98 54.863 20.033 42.998 1.00 0.00 C ATOM 1485 O GLN A 98 54.713 19.241 42.062 1.00 0.00 O ATOM 1486 CB GLN A 98 52.904 20.543 44.562 1.00 0.00 C ATOM 1487 CG GLN A 98 52.099 20.081 45.789 1.00 0.00 C ATOM 1488 CD GLN A 98 50.979 19.112 45.433 1.00 0.00 C ATOM 1489 OE1 GLN A 98 51.013 17.920 45.744 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.945 19.604 44.787 1.00 0.00 N ATOM 0 H GLN A 98 55.033 20.856 45.936 1.00 0.00 H new ATOM 0 HA GLN A 98 53.957 18.697 44.343 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.138 21.603 44.666 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.287 20.439 43.670 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.773 19.604 46.501 1.00 0.00 H new ATOM 0 HG3 GLN A 98 51.674 20.952 46.287 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.925 20.592 44.533 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.163 18.998 44.539 1.00 0.00 H new ATOM 1499 N CYS A 99 55.602 21.134 42.894 1.00 0.00 N ATOM 1500 CA CYS A 99 56.330 21.587 41.709 1.00 0.00 C ATOM 1501 C CYS A 99 57.872 21.413 41.814 1.00 0.00 C ATOM 1502 O CYS A 99 58.587 21.537 40.812 1.00 0.00 O ATOM 1503 CB CYS A 99 55.869 23.021 41.401 1.00 0.00 C ATOM 1504 SG CYS A 99 55.714 24.075 42.869 1.00 0.00 S ATOM 0 H CYS A 99 55.716 21.773 43.681 1.00 0.00 H new ATOM 0 HA CYS A 99 56.087 20.947 40.861 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.577 23.479 40.710 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.906 22.981 40.891 1.00 0.00 H new ATOM 0 HG CYS A 99 55.732 23.336 43.938 1.00 0.00 H new ATOM 1509 N GLU A 100 58.378 21.031 42.992 1.00 0.00 N ATOM 1510 CA GLU A 100 59.795 20.766 43.285 1.00 0.00 C ATOM 1511 C GLU A 100 60.689 22.013 43.124 1.00 0.00 C ATOM 1512 O GLU A 100 61.786 21.933 42.569 1.00 0.00 O ATOM 1513 CB GLU A 100 60.252 19.510 42.520 1.00 0.00 C ATOM 1514 CG GLU A 100 61.407 18.790 43.206 1.00 0.00 C ATOM 1515 CD GLU A 100 62.122 17.878 42.212 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.479 16.965 41.640 1.00 0.00 O ATOM 1517 OE2 GLU A 100 63.323 18.128 41.949 1.00 0.00 O ATOM 0 H GLU A 100 57.783 20.891 43.808 1.00 0.00 H new ATOM 0 HA GLU A 100 59.910 20.537 44.344 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.410 18.825 42.420 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.554 19.794 41.512 1.00 0.00 H new ATOM 0 HG2 GLU A 100 62.109 19.518 43.613 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.033 18.204 44.045 1.00 0.00 H new ATOM 1524 N ALA A 101 60.215 23.183 43.566 1.00 0.00 N ATOM 1525 CA ALA A 101 60.880 24.475 43.422 1.00 0.00 C ATOM 1526 C ALA A 101 60.846 25.286 44.727 1.00 0.00 C ATOM 1527 O ALA A 101 59.974 25.109 45.575 1.00 0.00 O ATOM 1528 CB ALA A 101 60.227 25.233 42.257 1.00 0.00 C ATOM 0 H ALA A 101 59.322 23.254 44.053 1.00 0.00 H new ATOM 0 HA ALA A 101 61.935 24.315 43.201 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.712 26.201 42.135 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.337 24.655 41.340 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.168 25.382 42.468 1.00 0.00 H new ATOM 1534 N HIS A 102 61.811 26.185 44.901 1.00 0.00 N ATOM 1535 CA HIS A 102 61.976 26.990 46.114 1.00 0.00 C ATOM 1536 C HIS A 102 61.041 28.216 46.160 1.00 0.00 C ATOM 1537 O HIS A 102 61.411 29.303 45.723 1.00 0.00 O ATOM 1538 CB HIS A 102 63.465 27.327 46.323 1.00 0.00 C ATOM 1539 CG HIS A 102 64.252 27.807 45.120 1.00 0.00 C ATOM 1540 ND1 HIS A 102 65.279 27.122 44.511 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.207 29.043 44.532 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.850 27.927 43.601 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.248 29.128 43.601 1.00 0.00 N ATOM 0 H HIS A 102 62.516 26.380 44.190 1.00 0.00 H new ATOM 0 HA HIS A 102 61.657 26.392 46.968 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.531 28.094 47.095 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.959 26.438 46.714 1.00 0.00 H new ATOM 0 HD2 HIS A 102 63.490 29.820 44.750 1.00 0.00 H new ATOM 0 HE1 HIS A 102 66.674 27.649 42.961 1.00 0.00 H new ATOM 0 HE2 HIS A 102 65.499 29.939 43.036 1.00 0.00 H new ATOM 1551 N LEU A 103 59.833 28.077 46.721 1.00 0.00 N ATOM 1552 CA LEU A 103 58.811 29.142 46.750 1.00 0.00 C ATOM 1553 C LEU A 103 59.060 30.299 47.739 1.00 0.00 C ATOM 1554 O LEU A 103 58.208 31.167 47.898 1.00 0.00 O ATOM 1555 CB LEU A 103 57.376 28.560 46.792 1.00 0.00 C ATOM 1556 CG LEU A 103 56.822 27.918 48.083 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.716 26.807 48.609 1.00 0.00 C ATOM 1558 CD2 LEU A 103 56.548 28.890 49.230 1.00 0.00 C ATOM 0 H LEU A 103 59.530 27.214 47.173 1.00 0.00 H new ATOM 0 HA LEU A 103 58.918 29.654 45.793 1.00 0.00 H new ATOM 0 HB2 LEU A 103 56.695 29.366 46.517 1.00 0.00 H new ATOM 0 HB3 LEU A 103 57.312 27.807 46.007 1.00 0.00 H new ATOM 0 HG LEU A 103 55.862 27.517 47.757 1.00 0.00 H new ATOM 0 HD11 LEU A 103 57.281 26.389 49.517 1.00 0.00 H new ATOM 0 HD12 LEU A 103 57.805 26.024 47.856 1.00 0.00 H new ATOM 0 HD13 LEU A 103 58.704 27.210 48.832 1.00 0.00 H new ATOM 0 HD21 LEU A 103 56.162 28.340 50.088 1.00 0.00 H new ATOM 0 HD22 LEU A 103 57.473 29.395 49.508 1.00 0.00 H new ATOM 0 HD23 LEU A 103 55.813 29.629 48.913 1.00 0.00 H new ATOM 1570 N GLY A 104 60.234 30.366 48.367 1.00 0.00 N ATOM 1571 CA GLY A 104 60.717 31.531 49.083 1.00 0.00 C ATOM 1572 C GLY A 104 61.725 31.212 50.181 1.00 0.00 C ATOM 1573 O GLY A 104 62.101 30.064 50.405 1.00 0.00 O ATOM 0 H GLY A 104 60.889 29.584 48.388 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.176 32.217 48.371 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.867 32.051 49.525 1.00 0.00 H new ATOM 1577 N HIS A 105 62.196 32.254 50.854 1.00 0.00 N ATOM 1578 CA HIS A 105 63.231 32.181 51.880 1.00 0.00 C ATOM 1579 C HIS A 105 62.964 33.159 53.021 1.00 0.00 C ATOM 1580 O HIS A 105 62.271 34.162 52.869 1.00 0.00 O ATOM 1581 CB HIS A 105 64.625 32.401 51.269 1.00 0.00 C ATOM 1582 CG HIS A 105 64.627 32.967 49.875 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.470 34.283 49.525 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.520 32.228 48.736 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.259 34.343 48.204 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.278 33.107 47.672 1.00 0.00 N ATOM 0 H HIS A 105 61.858 33.204 50.697 1.00 0.00 H new ATOM 0 HA HIS A 105 63.204 31.177 52.305 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.188 33.072 51.918 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.155 31.449 51.259 1.00 0.00 H new ATOM 0 HD1 HIS A 105 64.507 35.079 50.161 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.606 31.154 48.665 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.097 35.253 47.645 1.00 0.00 H new ATOM 1594 N VAL A 106 63.526 32.854 54.183 1.00 0.00 N ATOM 1595 CA VAL A 106 63.274 33.586 55.431 1.00 0.00 C ATOM 1596 C VAL A 106 64.514 33.636 56.317 1.00 0.00 C ATOM 1597 O VAL A 106 65.256 32.665 56.466 1.00 0.00 O ATOM 1598 CB VAL A 106 62.014 33.049 56.149 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.078 31.574 56.538 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.633 33.835 57.410 1.00 0.00 C ATOM 0 H VAL A 106 64.181 32.080 54.294 1.00 0.00 H new ATOM 0 HA VAL A 106 63.057 34.625 55.181 1.00 0.00 H new ATOM 0 HB VAL A 106 61.252 33.182 55.381 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.151 31.288 57.035 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.211 30.967 55.643 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.917 31.412 57.214 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.740 33.397 57.856 1.00 0.00 H new ATOM 0 HG22 VAL A 106 62.454 33.794 58.126 1.00 0.00 H new ATOM 0 HG23 VAL A 106 61.434 34.874 57.145 1.00 0.00 H new ATOM 1610 N PHE A 107 64.744 34.814 56.887 1.00 0.00 N ATOM 1611 CA PHE A 107 65.895 35.109 57.754 1.00 0.00 C ATOM 1612 C PHE A 107 65.561 36.106 58.884 1.00 0.00 C ATOM 1613 O PHE A 107 64.672 36.948 58.721 1.00 0.00 O ATOM 1614 CB PHE A 107 67.079 35.608 56.904 1.00 0.00 C ATOM 1615 CG PHE A 107 66.950 36.988 56.272 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.128 37.187 55.144 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.726 38.061 56.756 1.00 0.00 C ATOM 1618 CE1 PHE A 107 66.105 38.434 54.494 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.706 39.308 56.105 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.907 39.489 54.961 1.00 0.00 C ATOM 0 H PHE A 107 64.124 35.614 56.760 1.00 0.00 H new ATOM 0 HA PHE A 107 66.174 34.179 58.249 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.970 35.606 57.532 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.250 34.886 56.106 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.513 36.378 54.777 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.341 37.925 57.633 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.469 38.581 53.634 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.303 40.125 56.483 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.910 40.437 54.443 1.00 0.00 H new ATOM 1630 N PRO A 108 66.246 36.041 60.043 1.00 0.00 N ATOM 1631 CA PRO A 108 66.271 37.131 61.016 1.00 0.00 C ATOM 1632 C PRO A 108 67.268 38.203 60.552 1.00 0.00 C ATOM 1633 O PRO A 108 68.387 37.881 60.164 1.00 0.00 O ATOM 1634 CB PRO A 108 66.697 36.474 62.332 1.00 0.00 C ATOM 1635 CG PRO A 108 67.639 35.360 61.869 1.00 0.00 C ATOM 1636 CD PRO A 108 67.080 34.936 60.506 1.00 0.00 C ATOM 0 HA PRO A 108 65.311 37.634 61.131 1.00 0.00 H new ATOM 0 HB2 PRO A 108 67.201 37.181 62.992 1.00 0.00 H new ATOM 0 HB3 PRO A 108 65.843 36.078 62.881 1.00 0.00 H new ATOM 0 HG2 PRO A 108 68.666 35.716 61.785 1.00 0.00 H new ATOM 0 HG3 PRO A 108 67.647 34.527 62.572 1.00 0.00 H new ATOM 0 HD2 PRO A 108 67.886 34.735 59.801 1.00 0.00 H new ATOM 0 HD3 PRO A 108 66.497 34.019 60.593 1.00 0.00 H new ATOM 1644 N ASP A 109 66.887 39.480 60.589 1.00 0.00 N ATOM 1645 CA ASP A 109 67.745 40.569 60.067 1.00 0.00 C ATOM 1646 C ASP A 109 68.647 41.257 61.104 1.00 0.00 C ATOM 1647 O ASP A 109 69.366 42.204 60.787 1.00 0.00 O ATOM 1648 CB ASP A 109 66.886 41.565 59.289 1.00 0.00 C ATOM 1649 CG ASP A 109 66.003 42.411 60.204 1.00 0.00 C ATOM 1650 OD1 ASP A 109 64.952 41.901 60.649 1.00 0.00 O ATOM 1651 OD2 ASP A 109 66.328 43.594 60.449 1.00 0.00 O ATOM 0 H ASP A 109 65.995 39.795 60.971 1.00 0.00 H new ATOM 0 HA ASP A 109 68.463 40.097 59.396 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.533 42.220 58.705 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.258 41.024 58.581 1.00 0.00 H new ATOM 1656 N GLY A 110 68.590 40.788 62.345 1.00 0.00 N ATOM 1657 CA GLY A 110 69.282 41.378 63.492 1.00 0.00 C ATOM 1658 C GLY A 110 68.724 40.951 64.858 1.00 0.00 C ATOM 1659 O GLY A 110 69.467 40.341 65.630 1.00 0.00 O ATOM 0 H GLY A 110 68.045 39.962 62.592 1.00 0.00 H new ATOM 0 HA2 GLY A 110 70.337 41.107 63.443 1.00 0.00 H new ATOM 0 HA3 GLY A 110 69.228 42.464 63.414 1.00 0.00 H new ATOM 1663 N PRO A 111 67.452 41.258 65.182 1.00 0.00 N ATOM 1664 CA PRO A 111 66.851 40.952 66.484 1.00 0.00 C ATOM 1665 C PRO A 111 66.475 39.467 66.638 1.00 0.00 C ATOM 1666 O PRO A 111 66.688 38.651 65.735 1.00 0.00 O ATOM 1667 CB PRO A 111 65.623 41.874 66.557 1.00 0.00 C ATOM 1668 CG PRO A 111 65.166 41.935 65.104 1.00 0.00 C ATOM 1669 CD PRO A 111 66.493 41.985 64.351 1.00 0.00 C ATOM 0 HA PRO A 111 67.550 41.124 67.302 1.00 0.00 H new ATOM 0 HB2 PRO A 111 64.849 41.468 67.209 1.00 0.00 H new ATOM 0 HB3 PRO A 111 65.879 42.861 66.943 1.00 0.00 H new ATOM 0 HG2 PRO A 111 64.573 41.063 64.827 1.00 0.00 H new ATOM 0 HG3 PRO A 111 64.552 42.814 64.907 1.00 0.00 H new ATOM 0 HD2 PRO A 111 66.401 41.525 63.367 1.00 0.00 H new ATOM 0 HD3 PRO A 111 66.814 43.015 64.193 1.00 0.00 H new ATOM 1677 N LYS A 112 65.863 39.113 67.781 1.00 0.00 N ATOM 1678 CA LYS A 112 65.246 37.796 68.018 1.00 0.00 C ATOM 1679 C LYS A 112 64.307 37.398 66.867 1.00 0.00 C ATOM 1680 O LYS A 112 63.691 38.267 66.247 1.00 0.00 O ATOM 1681 CB LYS A 112 64.550 37.761 69.397 1.00 0.00 C ATOM 1682 CG LYS A 112 65.398 37.022 70.450 1.00 0.00 C ATOM 1683 CD LYS A 112 66.702 37.738 70.842 1.00 0.00 C ATOM 1684 CE LYS A 112 66.517 38.600 72.098 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.651 37.805 73.347 1.00 0.00 N ATOM 0 H LYS A 112 65.782 39.743 68.579 1.00 0.00 H new ATOM 0 HA LYS A 112 66.035 37.044 68.039 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.360 38.780 69.734 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.581 37.271 69.302 1.00 0.00 H new ATOM 0 HG2 LYS A 112 64.795 36.878 71.346 1.00 0.00 H new ATOM 0 HG3 LYS A 112 65.644 36.031 70.068 1.00 0.00 H new ATOM 0 HD2 LYS A 112 67.484 37.000 71.019 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.036 38.365 70.015 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.255 39.402 72.098 1.00 0.00 H new ATOM 0 HE3 LYS A 112 65.534 39.071 72.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 66.519 38.427 74.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 65.930 37.055 73.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 67.598 37.376 73.386 1.00 0.00 H new ATOM 1699 N PRO A 113 64.147 36.089 66.576 1.00 0.00 N ATOM 1700 CA PRO A 113 63.423 35.618 65.393 1.00 0.00 C ATOM 1701 C PRO A 113 61.920 35.928 65.412 1.00 0.00 C ATOM 1702 O PRO A 113 61.241 35.723 64.407 1.00 0.00 O ATOM 1703 CB PRO A 113 63.709 34.118 65.296 1.00 0.00 C ATOM 1704 CG PRO A 113 63.943 33.727 66.748 1.00 0.00 C ATOM 1705 CD PRO A 113 64.670 34.947 67.314 1.00 0.00 C ATOM 0 HA PRO A 113 63.771 36.152 64.509 1.00 0.00 H new ATOM 0 HB2 PRO A 113 62.871 33.574 64.860 1.00 0.00 H new ATOM 0 HB3 PRO A 113 64.581 33.911 64.676 1.00 0.00 H new ATOM 0 HG2 PRO A 113 63.006 33.535 67.271 1.00 0.00 H new ATOM 0 HG3 PRO A 113 64.545 32.822 66.831 1.00 0.00 H new ATOM 0 HD2 PRO A 113 64.485 35.053 68.383 1.00 0.00 H new ATOM 0 HD3 PRO A 113 65.748 34.856 67.184 1.00 0.00 H new ATOM 1713 N THR A 114 61.405 36.508 66.499 1.00 0.00 N ATOM 1714 CA THR A 114 60.093 37.182 66.497 1.00 0.00 C ATOM 1715 C THR A 114 60.006 38.268 65.410 1.00 0.00 C ATOM 1716 O THR A 114 58.945 38.444 64.810 1.00 0.00 O ATOM 1717 CB THR A 114 59.794 37.805 67.869 1.00 0.00 C ATOM 1718 OG1 THR A 114 60.933 38.466 68.373 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.411 36.741 68.897 1.00 0.00 C ATOM 0 H THR A 114 61.878 36.527 67.403 1.00 0.00 H new ATOM 0 HA THR A 114 59.347 36.418 66.277 1.00 0.00 H new ATOM 0 HB THR A 114 58.968 38.500 67.719 1.00 0.00 H new ATOM 0 HG1 THR A 114 60.724 38.858 69.246 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.206 37.218 69.855 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.521 36.211 68.558 1.00 0.00 H new ATOM 0 HG23 THR A 114 60.232 36.034 69.012 1.00 0.00 H new ATOM 1727 N GLY A 115 61.133 38.911 65.075 1.00 0.00 N ATOM 1728 CA GLY A 115 61.303 39.883 63.988 1.00 0.00 C ATOM 1729 C GLY A 115 61.706 39.331 62.613 1.00 0.00 C ATOM 1730 O GLY A 115 62.076 40.121 61.747 1.00 0.00 O ATOM 0 H GLY A 115 62.002 38.757 65.587 1.00 0.00 H new ATOM 0 HA2 GLY A 115 60.366 40.428 63.872 1.00 0.00 H new ATOM 0 HA3 GLY A 115 62.057 40.607 64.296 1.00 0.00 H new ATOM 1734 N GLN A 116 61.684 38.008 62.408 1.00 0.00 N ATOM 1735 CA GLN A 116 62.021 37.357 61.127 1.00 0.00 C ATOM 1736 C GLN A 116 61.275 37.939 59.916 1.00 0.00 C ATOM 1737 O GLN A 116 60.124 38.361 60.014 1.00 0.00 O ATOM 1738 CB GLN A 116 61.764 35.847 61.189 1.00 0.00 C ATOM 1739 CG GLN A 116 63.052 35.114 61.560 1.00 0.00 C ATOM 1740 CD GLN A 116 62.913 33.606 61.654 1.00 0.00 C ATOM 1741 OE1 GLN A 116 63.705 32.926 62.288 1.00 0.00 O ATOM 1742 NE2 GLN A 116 61.959 33.010 60.980 1.00 0.00 N ATOM 0 H GLN A 116 61.427 37.344 63.139 1.00 0.00 H new ATOM 0 HA GLN A 116 63.083 37.556 60.982 1.00 0.00 H new ATOM 0 HB2 GLN A 116 60.988 35.631 61.924 1.00 0.00 H new ATOM 0 HB3 GLN A 116 61.398 35.492 60.226 1.00 0.00 H new ATOM 0 HG2 GLN A 116 63.816 35.350 60.819 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.408 35.494 62.518 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.290 33.564 60.446 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.886 31.993 60.990 1.00 0.00 H new ATOM 1751 N ARG A 117 61.926 37.904 58.745 1.00 0.00 N ATOM 1752 CA ARG A 117 61.437 38.503 57.501 1.00 0.00 C ATOM 1753 C ARG A 117 61.544 37.515 56.345 1.00 0.00 C ATOM 1754 O ARG A 117 62.583 36.884 56.144 1.00 0.00 O ATOM 1755 CB ARG A 117 62.216 39.790 57.187 1.00 0.00 C ATOM 1756 CG ARG A 117 62.390 40.708 58.411 1.00 0.00 C ATOM 1757 CD ARG A 117 62.923 42.089 58.034 1.00 0.00 C ATOM 1758 NE ARG A 117 64.155 42.011 57.232 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.596 42.933 56.400 1.00 0.00 C ATOM 1760 NH1 ARG A 117 64.070 44.121 56.345 1.00 0.00 N ATOM 1761 NH2 ARG A 117 65.574 42.646 55.594 1.00 0.00 N ATOM 0 H ARG A 117 62.831 37.446 58.637 1.00 0.00 H new ATOM 0 HA ARG A 117 60.385 38.757 57.632 1.00 0.00 H new ATOM 0 HB2 ARG A 117 63.199 39.526 56.796 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.697 40.338 56.401 1.00 0.00 H new ATOM 0 HG2 ARG A 117 61.431 40.818 58.918 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.073 40.239 59.119 1.00 0.00 H new ATOM 0 HD2 ARG A 117 62.161 42.630 57.474 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.118 42.661 58.941 1.00 0.00 H new ATOM 0 HE ARG A 117 64.719 41.166 57.329 1.00 0.00 H new ATOM 0 HH11 ARG A 117 63.291 44.363 56.958 1.00 0.00 H new ATOM 0 HH12 ARG A 117 64.436 44.811 55.689 1.00 0.00 H new ATOM 0 HH21 ARG A 117 65.992 41.716 55.610 1.00 0.00 H new ATOM 0 HH22 ARG A 117 65.924 43.351 54.945 1.00 0.00 H new ATOM 1775 N PHE A 118 60.457 37.397 55.595 1.00 0.00 N ATOM 1776 CA PHE A 118 60.320 36.500 54.447 1.00 0.00 C ATOM 1777 C PHE A 118 60.524 37.278 53.135 1.00 0.00 C ATOM 1778 O PHE A 118 59.852 38.281 52.872 1.00 0.00 O ATOM 1779 CB PHE A 118 58.952 35.797 54.517 1.00 0.00 C ATOM 1780 CG PHE A 118 58.949 34.287 54.370 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.320 33.685 53.153 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.505 33.482 55.439 1.00 0.00 C ATOM 1783 CE1 PHE A 118 59.275 32.286 53.015 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.461 32.083 55.301 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.851 31.485 54.090 1.00 0.00 C ATOM 0 H PHE A 118 59.613 37.942 55.773 1.00 0.00 H new ATOM 0 HA PHE A 118 61.091 35.730 54.473 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.491 36.046 55.473 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.315 36.215 53.737 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.640 34.298 52.324 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.198 33.941 56.367 1.00 0.00 H new ATOM 0 HE1 PHE A 118 59.566 31.826 52.082 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.128 31.469 56.125 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.825 30.410 53.985 1.00 0.00 H new ATOM 1795 N CYS A 119 61.454 36.800 52.313 1.00 0.00 N ATOM 1796 CA CYS A 119 61.772 37.284 50.975 1.00 0.00 C ATOM 1797 C CYS A 119 61.285 36.270 49.931 1.00 0.00 C ATOM 1798 O CYS A 119 61.625 35.086 49.987 1.00 0.00 O ATOM 1799 CB CYS A 119 63.267 37.629 50.883 1.00 0.00 C ATOM 1800 SG CYS A 119 64.392 36.516 51.773 1.00 0.00 S ATOM 0 H CYS A 119 62.044 36.013 52.583 1.00 0.00 H new ATOM 0 HA CYS A 119 61.243 38.213 50.760 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.554 37.640 49.831 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.411 38.640 51.263 1.00 0.00 H new ATOM 0 HG CYS A 119 64.732 37.057 52.905 1.00 0.00 H new ATOM 1806 N ILE A 120 60.484 36.727 48.965 1.00 0.00 N ATOM 1807 CA ILE A 120 60.014 35.890 47.859 1.00 0.00 C ATOM 1808 C ILE A 120 60.972 36.019 46.663 1.00 0.00 C ATOM 1809 O ILE A 120 61.704 36.998 46.520 1.00 0.00 O ATOM 1810 CB ILE A 120 58.530 36.221 47.540 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.866 35.395 46.422 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.328 37.701 47.190 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.869 33.887 46.667 1.00 0.00 C ATOM 0 H ILE A 120 60.143 37.688 48.928 1.00 0.00 H new ATOM 0 HA ILE A 120 60.028 34.836 48.136 1.00 0.00 H new ATOM 0 HB ILE A 120 58.039 35.952 48.475 1.00 0.00 H new ATOM 0 HG12 ILE A 120 56.836 35.730 46.302 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.379 35.599 45.482 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.275 37.884 46.975 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.639 38.320 48.032 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.926 37.953 46.314 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.383 33.382 45.832 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.897 33.535 46.755 1.00 0.00 H new ATOM 0 HD13 ILE A 120 57.330 33.667 47.588 1.00 0.00 H new ATOM 1825 N ASN A 121 60.965 35.009 45.806 1.00 0.00 N ATOM 1826 CA ASN A 121 61.616 34.975 44.500 1.00 0.00 C ATOM 1827 C ASN A 121 60.592 34.573 43.409 1.00 0.00 C ATOM 1828 O ASN A 121 59.535 34.024 43.717 1.00 0.00 O ATOM 1829 CB ASN A 121 62.820 34.014 44.569 1.00 0.00 C ATOM 1830 CG ASN A 121 62.366 32.573 44.604 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.981 32.025 43.591 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.379 31.941 45.749 1.00 0.00 N ATOM 0 H ASN A 121 60.476 34.138 46.014 1.00 0.00 H new ATOM 0 HA ASN A 121 61.991 35.962 44.230 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.466 34.174 43.706 1.00 0.00 H new ATOM 0 HB3 ASN A 121 63.413 34.233 45.457 1.00 0.00 H new ATOM 0 HD21 ASN A 121 62.063 30.973 45.801 1.00 0.00 H new ATOM 0 HD22 ASN A 121 62.706 32.416 46.590 1.00 0.00 H new ATOM 1839 N SER A 122 60.905 34.821 42.136 1.00 0.00 N ATOM 1840 CA SER A 122 59.949 34.680 41.022 1.00 0.00 C ATOM 1841 C SER A 122 60.016 33.342 40.261 1.00 0.00 C ATOM 1842 O SER A 122 59.567 33.292 39.117 1.00 0.00 O ATOM 1843 CB SER A 122 60.097 35.857 40.045 1.00 0.00 C ATOM 1844 OG SER A 122 60.209 37.088 40.738 1.00 0.00 O ATOM 0 H SER A 122 61.832 35.127 41.841 1.00 0.00 H new ATOM 0 HA SER A 122 58.964 34.689 41.490 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.978 35.706 39.421 1.00 0.00 H new ATOM 0 HB3 SER A 122 59.236 35.889 39.378 1.00 0.00 H new ATOM 0 HG SER A 122 60.304 37.819 40.093 1.00 0.00 H new ATOM 1850 N VAL A 123 60.615 32.288 40.838 1.00 0.00 N ATOM 1851 CA VAL A 123 61.142 31.105 40.109 1.00 0.00 C ATOM 1852 C VAL A 123 60.195 30.495 39.069 1.00 0.00 C ATOM 1853 O VAL A 123 60.613 30.250 37.940 1.00 0.00 O ATOM 1854 CB VAL A 123 61.656 30.039 41.111 1.00 0.00 C ATOM 1855 CG1 VAL A 123 60.593 29.497 42.083 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.335 28.847 40.436 1.00 0.00 C ATOM 0 H VAL A 123 60.753 32.225 41.847 1.00 0.00 H new ATOM 0 HA VAL A 123 61.974 31.481 39.514 1.00 0.00 H new ATOM 0 HB VAL A 123 62.389 30.602 41.689 1.00 0.00 H new ATOM 0 HG11 VAL A 123 61.047 28.758 42.743 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.192 30.318 42.678 1.00 0.00 H new ATOM 0 HG13 VAL A 123 59.786 29.031 41.517 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.670 28.141 41.196 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.627 28.354 39.770 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.193 29.195 39.861 1.00 0.00 H new ATOM 1866 N ALA A 124 58.938 30.250 39.446 1.00 0.00 N ATOM 1867 CA ALA A 124 57.961 29.496 38.644 1.00 0.00 C ATOM 1868 C ALA A 124 56.478 29.810 38.977 1.00 0.00 C ATOM 1869 O ALA A 124 55.601 28.964 38.785 1.00 0.00 O ATOM 1870 CB ALA A 124 58.269 27.996 38.803 1.00 0.00 C ATOM 0 H ALA A 124 58.559 30.575 40.335 1.00 0.00 H new ATOM 0 HA ALA A 124 58.071 29.809 37.606 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.557 27.414 38.217 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.280 27.793 38.451 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.188 27.717 39.854 1.00 0.00 H new ATOM 1876 N LEU A 125 56.198 30.996 39.533 1.00 0.00 N ATOM 1877 CA LEU A 125 54.962 31.299 40.261 1.00 0.00 C ATOM 1878 C LEU A 125 54.239 32.528 39.689 1.00 0.00 C ATOM 1879 O LEU A 125 54.850 33.404 39.068 1.00 0.00 O ATOM 1880 CB LEU A 125 55.278 31.499 41.754 1.00 0.00 C ATOM 1881 CG LEU A 125 56.171 30.436 42.426 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.498 30.867 43.853 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.508 29.063 42.474 1.00 0.00 C ATOM 0 H LEU A 125 56.839 31.788 39.487 1.00 0.00 H new ATOM 0 HA LEU A 125 54.286 30.452 40.143 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.759 32.470 41.872 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.334 31.542 42.298 1.00 0.00 H new ATOM 0 HG LEU A 125 57.076 30.355 41.825 1.00 0.00 H new ATOM 0 HD11 LEU A 125 57.129 30.114 44.325 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.025 31.821 43.833 1.00 0.00 H new ATOM 0 HD13 LEU A 125 55.574 30.974 44.421 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.178 28.352 42.957 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.579 29.127 43.040 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.292 28.727 41.460 1.00 0.00 H new ATOM 1895 N LYS A 126 52.922 32.587 39.900 1.00 0.00 N ATOM 1896 CA LYS A 126 51.975 33.562 39.318 1.00 0.00 C ATOM 1897 C LYS A 126 51.096 34.268 40.354 1.00 0.00 C ATOM 1898 O LYS A 126 50.877 33.782 41.461 1.00 0.00 O ATOM 1899 CB LYS A 126 51.131 32.857 38.254 1.00 0.00 C ATOM 1900 CG LYS A 126 52.031 32.444 37.074 1.00 0.00 C ATOM 1901 CD LYS A 126 51.396 32.765 35.727 1.00 0.00 C ATOM 1902 CE LYS A 126 51.454 34.283 35.538 1.00 0.00 C ATOM 1903 NZ LYS A 126 50.634 34.724 34.392 1.00 0.00 N ATOM 0 H LYS A 126 52.454 31.921 40.515 1.00 0.00 H new ATOM 0 HA LYS A 126 52.562 34.360 38.864 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.648 31.978 38.681 1.00 0.00 H new ATOM 0 HB3 LYS A 126 50.338 33.519 37.906 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.990 32.957 37.153 1.00 0.00 H new ATOM 0 HG3 LYS A 126 52.236 31.375 37.132 1.00 0.00 H new ATOM 0 HD2 LYS A 126 51.929 32.258 34.922 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.364 32.414 35.697 1.00 0.00 H new ATOM 0 HE2 LYS A 126 51.105 34.776 36.446 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.488 34.591 35.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 50.699 35.758 34.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 50.982 34.273 33.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 49.643 34.452 34.550 1.00 0.00 H new ATOM 1917 N PHE A 127 50.580 35.443 40.003 1.00 0.00 N ATOM 1918 CA PHE A 127 49.937 36.368 40.948 1.00 0.00 C ATOM 1919 C PHE A 127 48.700 37.080 40.378 1.00 0.00 C ATOM 1920 O PHE A 127 48.658 37.440 39.200 1.00 0.00 O ATOM 1921 CB PHE A 127 50.992 37.363 41.451 1.00 0.00 C ATOM 1922 CG PHE A 127 51.693 38.161 40.364 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.169 39.396 39.935 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.872 37.662 39.769 1.00 0.00 C ATOM 1925 CE1 PHE A 127 51.815 40.124 38.920 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.512 38.386 38.749 1.00 0.00 C ATOM 1927 CZ PHE A 127 52.985 39.619 38.326 1.00 0.00 C ATOM 0 H PHE A 127 50.594 35.789 39.044 1.00 0.00 H new ATOM 0 HA PHE A 127 49.549 35.782 41.781 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.514 38.059 42.140 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.743 36.816 42.021 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.268 39.785 40.387 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.284 36.720 40.099 1.00 0.00 H new ATOM 0 HE1 PHE A 127 51.412 41.072 38.596 1.00 0.00 H new ATOM 0 HE2 PHE A 127 54.408 37.996 38.290 1.00 0.00 H new ATOM 0 HZ PHE A 127 53.479 40.178 37.545 1.00 0.00 H new ATOM 1937 N LYS A 128 47.682 37.288 41.224 1.00 0.00 N ATOM 1938 CA LYS A 128 46.428 37.987 40.900 1.00 0.00 C ATOM 1939 C LYS A 128 46.011 38.922 42.045 1.00 0.00 C ATOM 1940 O LYS A 128 46.344 38.636 43.199 1.00 0.00 O ATOM 1941 CB LYS A 128 45.299 36.977 40.628 1.00 0.00 C ATOM 1942 CG LYS A 128 45.615 36.044 39.449 1.00 0.00 C ATOM 1943 CD LYS A 128 44.439 35.117 39.126 1.00 0.00 C ATOM 1944 CE LYS A 128 43.324 35.830 38.343 1.00 0.00 C ATOM 1945 NZ LYS A 128 43.655 35.962 36.903 1.00 0.00 N ATOM 0 H LYS A 128 47.709 36.962 42.190 1.00 0.00 H new ATOM 0 HA LYS A 128 46.602 38.581 40.003 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.127 36.380 41.523 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.375 37.517 40.422 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.860 36.640 38.570 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.495 35.446 39.685 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.799 34.267 38.546 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.029 34.719 40.054 1.00 0.00 H new ATOM 0 HE2 LYS A 128 42.392 35.275 38.452 1.00 0.00 H new ATOM 0 HE3 LYS A 128 43.157 36.819 38.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 42.878 36.448 36.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 44.530 36.514 36.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 43.789 35.017 36.490 1.00 0.00 H new ATOM 1959 N PRO A 129 45.267 40.004 41.763 1.00 0.00 N ATOM 1960 CA PRO A 129 44.680 40.844 42.800 1.00 0.00 C ATOM 1961 C PRO A 129 43.476 40.167 43.478 1.00 0.00 C ATOM 1962 O PRO A 129 43.120 39.029 43.176 1.00 0.00 O ATOM 1963 CB PRO A 129 44.312 42.151 42.085 1.00 0.00 C ATOM 1964 CG PRO A 129 43.957 41.676 40.679 1.00 0.00 C ATOM 1965 CD PRO A 129 44.910 40.509 40.443 1.00 0.00 C ATOM 0 HA PRO A 129 45.372 41.028 43.622 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.473 42.654 42.566 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.143 42.856 42.076 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.915 41.362 40.613 1.00 0.00 H new ATOM 0 HG3 PRO A 129 44.100 42.466 39.941 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.434 39.732 39.844 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.796 40.834 39.897 1.00 0.00 H new ATOM 1973 N SER A 130 42.885 40.866 44.446 1.00 0.00 N ATOM 1974 CA SER A 130 41.721 40.439 45.229 1.00 0.00 C ATOM 1975 C SER A 130 40.445 41.124 44.751 1.00 0.00 C ATOM 1976 O SER A 130 39.456 40.488 44.411 1.00 0.00 O ATOM 1977 CB SER A 130 41.968 40.826 46.684 1.00 0.00 C ATOM 1978 OG SER A 130 41.142 40.123 47.588 1.00 0.00 O ATOM 0 H SER A 130 43.219 41.790 44.720 1.00 0.00 H new ATOM 0 HA SER A 130 41.592 39.363 45.114 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.012 40.638 46.932 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.800 41.896 46.803 1.00 0.00 H new ATOM 0 HG SER A 130 41.343 40.408 48.504 1.00 0.00 H new ATOM 1984 N LYS A 131 40.488 42.458 44.788 1.00 0.00 N ATOM 1985 CA LYS A 131 39.412 43.368 44.422 1.00 0.00 C ATOM 1986 C LYS A 131 39.126 43.386 42.895 1.00 0.00 C ATOM 1987 O LYS A 131 40.033 43.083 42.117 1.00 0.00 O ATOM 1988 CB LYS A 131 39.797 44.779 44.906 1.00 0.00 C ATOM 1989 CG LYS A 131 40.239 44.889 46.380 1.00 0.00 C ATOM 1990 CD LYS A 131 39.257 44.294 47.402 1.00 0.00 C ATOM 1991 CE LYS A 131 39.659 42.895 47.876 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.050 42.519 49.174 1.00 0.00 N ATOM 0 H LYS A 131 41.325 42.955 45.092 1.00 0.00 H new ATOM 0 HA LYS A 131 38.494 43.023 44.898 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.605 45.150 44.276 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.944 45.440 44.752 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.202 44.391 46.492 1.00 0.00 H new ATOM 0 HG3 LYS A 131 40.394 45.941 46.619 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.192 44.958 48.264 1.00 0.00 H new ATOM 0 HD3 LYS A 131 38.263 44.249 46.958 1.00 0.00 H new ATOM 0 HE2 LYS A 131 39.368 42.165 47.121 1.00 0.00 H new ATOM 0 HE3 LYS A 131 40.744 42.847 47.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 39.361 41.563 49.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.348 43.195 49.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.014 42.535 49.089 1.00 0.00 H new