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 HE2:sc= -0.916 K(o=0.054,f=-0.8) USER MOD Set 1.2: A 121 ASN : amide:sc= 0.97 K(o=0.054,f=-1.6) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.934) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 40 CYS SG : rot 155:sc= -7.17! USER MOD Set 3.2: A 43 CYS SG : rot -38:sc= -5.9! USER MOD Set 3.3: A 45 SER OG : rot 180:sc= 0.181 USER MOD Set 3.4: A 96 CYS SG : rot -154:sc= -4.25! USER MOD Set 3.5: A 98 GLN : amide:sc= 1.34 K(o=-20,f=-24) USER MOD Set 3.6: A 99 CYS SG : rot -14:sc= -4.32! USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= 0.899 USER MOD Set 4.2: A 53 LYS NZ :NH3+ 176:sc= 1.05 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 17:sc= 0.252 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-4.7!) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 49 SER OG : rot 160:sc= 0.937 USER MOD Single : A 50 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 61:sc= 0 USER MOD Single : A 85 THR OG1 : rot -44:sc= 0.415 USER MOD Single : A 86 SER OG : rot -45:sc= 0.0256 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.7 USER MOD Single : A 92 MET CE :methyl 165:sc= 0 (180deg=-0.3) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.51) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00832 USER MOD Single : A 116 GLN : amide:sc= 1.11 K(o=1.1,f=0.47) USER MOD Single : A 119 CYS SG : rot 39:sc= 0.0124 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 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 45.457 44.342 46.504 1.00 0.00 N ATOM 559 CA THR A 35 44.991 43.126 47.187 1.00 0.00 C ATOM 560 C THR A 35 44.888 42.024 46.148 1.00 0.00 C ATOM 561 O THR A 35 44.489 42.279 45.012 1.00 0.00 O ATOM 562 CB THR A 35 43.608 43.292 47.831 1.00 0.00 C ATOM 563 OG1 THR A 35 43.492 44.559 48.431 1.00 0.00 O ATOM 564 CG2 THR A 35 43.301 42.231 48.885 1.00 0.00 C ATOM 0 HA THR A 35 45.702 42.898 47.982 1.00 0.00 H new ATOM 0 HB THR A 35 42.889 43.178 47.020 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.198 45.148 48.091 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.309 42.407 49.300 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.333 41.243 48.426 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.042 42.285 49.682 1.00 0.00 H new ATOM 572 N GLY A 36 45.204 40.791 46.527 1.00 0.00 N ATOM 573 CA GLY A 36 45.267 39.681 45.562 1.00 0.00 C ATOM 574 C GLY A 36 45.771 38.351 46.105 1.00 0.00 C ATOM 575 O GLY A 36 45.755 38.125 47.313 1.00 0.00 O ATOM 0 H GLY A 36 45.421 40.528 47.488 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.270 39.528 45.149 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.911 39.981 44.735 1.00 0.00 H new ATOM 579 N MET A 37 46.268 37.486 45.218 1.00 0.00 N ATOM 580 CA MET A 37 46.737 36.137 45.536 1.00 0.00 C ATOM 581 C MET A 37 47.923 35.675 44.681 1.00 0.00 C ATOM 582 O MET A 37 48.179 36.180 43.587 1.00 0.00 O ATOM 583 CB MET A 37 45.576 35.132 45.435 1.00 0.00 C ATOM 584 CG MET A 37 45.096 34.976 43.989 1.00 0.00 C ATOM 585 SD MET A 37 43.891 33.657 43.685 1.00 0.00 S ATOM 586 CE MET A 37 42.456 34.265 44.613 1.00 0.00 C ATOM 0 H MET A 37 46.358 37.713 44.228 1.00 0.00 H new ATOM 0 HA MET A 37 47.105 36.177 46.561 1.00 0.00 H new ATOM 0 HB2 MET A 37 45.896 34.164 45.820 1.00 0.00 H new ATOM 0 HB3 MET A 37 44.748 35.466 46.061 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.657 35.921 43.670 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.966 34.798 43.356 1.00 0.00 H new ATOM 0 HE1 MET A 37 41.634 33.555 44.518 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.722 34.374 45.664 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.148 35.232 44.215 1.00 0.00 H new ATOM 596 N TYR A 38 48.577 34.647 45.208 1.00 0.00 N ATOM 597 CA TYR A 38 49.635 33.844 44.599 1.00 0.00 C ATOM 598 C TYR A 38 49.252 32.358 44.643 1.00 0.00 C ATOM 599 O TYR A 38 48.874 31.810 45.686 1.00 0.00 O ATOM 600 CB TYR A 38 50.970 34.057 45.329 1.00 0.00 C ATOM 601 CG TYR A 38 51.598 35.427 45.151 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.071 36.544 45.829 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.731 35.576 44.328 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.634 37.818 45.630 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.289 36.852 44.118 1.00 0.00 C ATOM 606 CZ TYR A 38 52.729 37.976 44.761 1.00 0.00 C ATOM 607 OH TYR A 38 53.228 39.218 44.534 1.00 0.00 O ATOM 0 H TYR A 38 48.364 34.325 46.152 1.00 0.00 H new ATOM 0 HA TYR A 38 49.753 34.159 43.562 1.00 0.00 H new ATOM 0 HB2 TYR A 38 50.814 33.883 46.394 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.678 33.304 44.983 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.235 36.422 46.502 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.173 34.710 43.857 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.225 38.675 46.145 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.143 36.970 43.467 1.00 0.00 H new ATOM 0 HH TYR A 38 53.983 39.159 43.912 1.00 0.00 H new ATOM 617 N HIS A 39 49.383 31.700 43.498 1.00 0.00 N ATOM 618 CA HIS A 39 49.220 30.264 43.325 1.00 0.00 C ATOM 619 C HIS A 39 50.326 29.715 42.416 1.00 0.00 C ATOM 620 O HIS A 39 51.134 30.469 41.864 1.00 0.00 O ATOM 621 CB HIS A 39 47.804 29.967 42.798 1.00 0.00 C ATOM 622 CG HIS A 39 47.447 30.530 41.446 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.820 30.025 40.221 1.00 0.00 N ATOM 624 CD2 HIS A 39 46.552 31.536 41.210 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.162 30.715 39.274 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.376 31.658 39.825 1.00 0.00 N ATOM 0 H HIS A 39 49.616 32.175 42.626 1.00 0.00 H new ATOM 0 HA HIS A 39 49.321 29.753 44.282 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.677 28.885 42.759 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.085 30.347 43.524 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.479 29.263 40.061 1.00 0.00 H new ATOM 0 HD2 HIS A 39 46.063 32.136 41.964 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.252 30.537 38.213 1.00 0.00 H new ATOM 634 N CYS A 40 50.391 28.397 42.265 1.00 0.00 N ATOM 635 CA CYS A 40 51.406 27.774 41.459 1.00 0.00 C ATOM 636 C CYS A 40 51.285 28.110 39.957 1.00 0.00 C ATOM 637 O CYS A 40 50.227 28.469 39.426 1.00 0.00 O ATOM 638 CB CYS A 40 51.349 26.282 41.763 1.00 0.00 C ATOM 639 SG CYS A 40 52.948 25.516 41.374 1.00 0.00 S ATOM 0 H CYS A 40 49.740 27.743 42.700 1.00 0.00 H new ATOM 0 HA CYS A 40 52.390 28.167 41.714 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.106 26.124 42.814 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.558 25.812 41.178 1.00 0.00 H new ATOM 0 HG CYS A 40 53.102 24.445 42.094 1.00 0.00 H new ATOM 644 N VAL A 41 52.424 27.928 39.298 1.00 0.00 N ATOM 645 CA VAL A 41 52.606 27.924 37.837 1.00 0.00 C ATOM 646 C VAL A 41 53.073 26.552 37.315 1.00 0.00 C ATOM 647 O VAL A 41 53.168 26.357 36.105 1.00 0.00 O ATOM 648 CB VAL A 41 53.516 29.102 37.424 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.988 28.901 37.792 1.00 0.00 C ATOM 650 CG2 VAL A 41 53.412 29.459 35.937 1.00 0.00 C ATOM 0 H VAL A 41 53.302 27.769 39.792 1.00 0.00 H new ATOM 0 HA VAL A 41 51.642 28.081 37.353 1.00 0.00 H new ATOM 0 HB VAL A 41 53.131 29.938 38.008 1.00 0.00 H new ATOM 0 HG11 VAL A 41 55.565 29.768 37.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 55.080 28.783 38.872 1.00 0.00 H new ATOM 0 HG13 VAL A 41 55.368 28.008 37.296 1.00 0.00 H new ATOM 0 HG21 VAL A 41 54.077 30.294 35.716 1.00 0.00 H new ATOM 0 HG22 VAL A 41 53.699 28.597 35.335 1.00 0.00 H new ATOM 0 HG23 VAL A 41 52.386 29.740 35.701 1.00 0.00 H new ATOM 660 N CYS A 42 53.325 25.582 38.202 1.00 0.00 N ATOM 661 CA CYS A 42 53.964 24.302 37.899 1.00 0.00 C ATOM 662 C CYS A 42 53.151 23.060 38.325 1.00 0.00 C ATOM 663 O CYS A 42 53.399 21.980 37.786 1.00 0.00 O ATOM 664 CB CYS A 42 55.308 24.292 38.630 1.00 0.00 C ATOM 665 SG CYS A 42 56.466 25.560 38.043 1.00 0.00 S ATOM 0 H CYS A 42 53.079 25.674 39.188 1.00 0.00 H new ATOM 0 HA CYS A 42 54.060 24.229 36.816 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.133 24.438 39.696 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.768 23.311 38.514 1.00 0.00 H new ATOM 0 HG CYS A 42 57.575 25.481 38.717 1.00 0.00 H new ATOM 671 N CYS A 43 52.222 23.181 39.279 1.00 0.00 N ATOM 672 CA CYS A 43 51.421 22.095 39.816 1.00 0.00 C ATOM 673 C CYS A 43 49.893 22.330 39.661 1.00 0.00 C ATOM 674 O CYS A 43 49.311 21.871 38.671 1.00 0.00 O ATOM 675 CB CYS A 43 51.930 21.819 41.243 1.00 0.00 C ATOM 676 SG CYS A 43 52.062 23.318 42.255 1.00 0.00 S ATOM 0 H CYS A 43 52.005 24.079 39.711 1.00 0.00 H new ATOM 0 HA CYS A 43 51.550 21.181 39.236 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.256 21.116 41.733 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.907 21.339 41.187 1.00 0.00 H new ATOM 0 HG CYS A 43 52.490 24.301 41.520 1.00 0.00 H new ATOM 681 N ASP A 44 49.250 22.989 40.635 1.00 0.00 N ATOM 682 CA ASP A 44 47.778 23.128 40.716 1.00 0.00 C ATOM 683 C ASP A 44 47.242 24.381 41.446 1.00 0.00 C ATOM 684 O ASP A 44 46.262 24.986 40.997 1.00 0.00 O ATOM 685 CB ASP A 44 47.188 21.902 41.440 1.00 0.00 C ATOM 686 CG ASP A 44 47.034 20.664 40.557 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.066 20.609 39.763 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.810 19.697 40.731 1.00 0.00 O ATOM 0 H ASP A 44 49.739 23.449 41.403 1.00 0.00 H new ATOM 0 HA ASP A 44 47.468 23.221 39.675 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.827 21.653 42.287 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.212 22.169 41.845 1.00 0.00 H new ATOM 693 N SER A 45 47.789 24.696 42.624 1.00 0.00 N ATOM 694 CA SER A 45 46.993 25.199 43.756 1.00 0.00 C ATOM 695 C SER A 45 47.475 26.517 44.404 1.00 0.00 C ATOM 696 O SER A 45 48.621 26.932 44.213 1.00 0.00 O ATOM 697 CB SER A 45 46.909 24.065 44.790 1.00 0.00 C ATOM 698 OG SER A 45 48.138 23.379 44.950 1.00 0.00 O ATOM 0 H SER A 45 48.786 24.612 42.823 1.00 0.00 H new ATOM 0 HA SER A 45 46.016 25.477 43.360 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.600 24.477 45.751 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.139 23.356 44.484 1.00 0.00 H new ATOM 0 HG SER A 45 48.032 22.670 45.618 1.00 0.00 H new ATOM 704 N PRO A 46 46.601 27.219 45.165 1.00 0.00 N ATOM 705 CA PRO A 46 46.948 28.441 45.901 1.00 0.00 C ATOM 706 C PRO A 46 47.787 28.176 47.158 1.00 0.00 C ATOM 707 O PRO A 46 47.648 27.130 47.798 1.00 0.00 O ATOM 708 CB PRO A 46 45.613 29.109 46.239 1.00 0.00 C ATOM 709 CG PRO A 46 44.673 27.916 46.399 1.00 0.00 C ATOM 710 CD PRO A 46 45.176 26.943 45.332 1.00 0.00 C ATOM 0 HA PRO A 46 47.583 29.084 45.292 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.676 29.701 47.152 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.284 29.781 45.446 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.732 27.486 47.399 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.633 28.196 46.233 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.013 25.910 45.640 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.640 27.084 44.393 1.00 0.00 H new ATOM 718 N LEU A 47 48.631 29.153 47.525 1.00 0.00 N ATOM 719 CA LEU A 47 49.598 29.017 48.626 1.00 0.00 C ATOM 720 C LEU A 47 49.710 30.246 49.553 1.00 0.00 C ATOM 721 O LEU A 47 49.938 30.070 50.751 1.00 0.00 O ATOM 722 CB LEU A 47 50.960 28.654 48.000 1.00 0.00 C ATOM 723 CG LEU A 47 52.069 28.289 48.999 1.00 0.00 C ATOM 724 CD1 LEU A 47 51.722 27.087 49.878 1.00 0.00 C ATOM 725 CD2 LEU A 47 53.361 27.992 48.238 1.00 0.00 C ATOM 0 H LEU A 47 48.662 30.063 47.065 1.00 0.00 H new ATOM 0 HA LEU A 47 49.239 28.232 49.291 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.816 27.814 47.320 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.300 29.497 47.398 1.00 0.00 H new ATOM 0 HG LEU A 47 52.188 29.147 49.661 1.00 0.00 H new ATOM 0 HD11 LEU A 47 52.548 26.884 50.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 50.822 27.305 50.453 1.00 0.00 H new ATOM 0 HD13 LEU A 47 51.548 26.214 49.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 54.149 27.733 48.946 1.00 0.00 H new ATOM 0 HD22 LEU A 47 53.198 27.158 47.555 1.00 0.00 H new ATOM 0 HD23 LEU A 47 53.659 28.873 47.670 1.00 0.00 H new ATOM 737 N PHE A 48 49.569 31.474 49.038 1.00 0.00 N ATOM 738 CA PHE A 48 49.532 32.692 49.870 1.00 0.00 C ATOM 739 C PHE A 48 48.733 33.828 49.213 1.00 0.00 C ATOM 740 O PHE A 48 48.752 33.993 47.992 1.00 0.00 O ATOM 741 CB PHE A 48 50.943 33.147 50.290 1.00 0.00 C ATOM 742 CG PHE A 48 51.974 33.336 49.195 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.707 32.228 48.729 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.259 34.617 48.692 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.692 32.388 47.741 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.257 34.778 47.715 1.00 0.00 C ATOM 747 CZ PHE A 48 53.960 33.666 47.226 1.00 0.00 C ATOM 0 H PHE A 48 49.477 31.655 48.038 1.00 0.00 H new ATOM 0 HA PHE A 48 48.998 32.427 50.782 1.00 0.00 H new ATOM 0 HB2 PHE A 48 50.846 34.091 50.827 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.335 32.417 50.998 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.510 31.247 49.135 1.00 0.00 H new ATOM 0 HD2 PHE A 48 51.713 35.475 49.055 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.241 31.531 47.379 1.00 0.00 H new ATOM 0 HE2 PHE A 48 53.484 35.764 47.338 1.00 0.00 H new ATOM 0 HZ PHE A 48 54.706 33.793 46.455 1.00 0.00 H new ATOM 757 N SER A 49 48.050 34.663 50.003 1.00 0.00 N ATOM 758 CA SER A 49 47.444 35.891 49.496 1.00 0.00 C ATOM 759 C SER A 49 48.472 37.020 49.397 1.00 0.00 C ATOM 760 O SER A 49 49.377 37.164 50.219 1.00 0.00 O ATOM 761 CB SER A 49 46.184 36.292 50.268 1.00 0.00 C ATOM 762 OG SER A 49 46.423 36.546 51.633 1.00 0.00 O ATOM 0 H SER A 49 47.905 34.506 51.000 1.00 0.00 H new ATOM 0 HA SER A 49 47.103 35.686 48.481 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.754 37.183 49.810 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.443 35.498 50.178 1.00 0.00 H new ATOM 0 HG SER A 49 45.697 37.096 51.995 1.00 0.00 H new ATOM 768 N SER A 50 48.313 37.874 48.388 1.00 0.00 N ATOM 769 CA SER A 50 49.141 39.079 48.183 1.00 0.00 C ATOM 770 C SER A 50 49.054 40.084 49.318 1.00 0.00 C ATOM 771 O SER A 50 49.893 40.967 49.452 1.00 0.00 O ATOM 772 CB SER A 50 48.674 39.810 46.941 1.00 0.00 C ATOM 773 OG SER A 50 49.659 40.723 46.498 1.00 0.00 O ATOM 0 H SER A 50 47.595 37.753 47.673 1.00 0.00 H new ATOM 0 HA SER A 50 50.166 38.716 48.109 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.455 39.092 46.151 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.747 40.342 47.153 1.00 0.00 H new ATOM 0 HG SER A 50 49.340 41.184 45.694 1.00 0.00 H new ATOM 779 N GLU A 51 48.015 39.949 50.125 1.00 0.00 N ATOM 780 CA GLU A 51 47.776 40.708 51.339 1.00 0.00 C ATOM 781 C GLU A 51 48.925 40.616 52.351 1.00 0.00 C ATOM 782 O GLU A 51 49.248 41.566 53.062 1.00 0.00 O ATOM 783 CB GLU A 51 46.580 40.053 52.006 1.00 0.00 C ATOM 784 CG GLU A 51 45.229 40.355 51.393 1.00 0.00 C ATOM 785 CD GLU A 51 44.162 39.485 52.061 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.258 38.241 51.929 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.250 40.047 52.711 1.00 0.00 O ATOM 0 H GLU A 51 47.277 39.270 49.940 1.00 0.00 H new ATOM 0 HA GLU A 51 47.646 41.756 51.068 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.729 38.973 51.994 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.559 40.360 53.052 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.987 41.410 51.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.253 40.162 50.321 1.00 0.00 H new ATOM 794 N LYS A 52 49.559 39.443 52.400 1.00 0.00 N ATOM 795 CA LYS A 52 50.746 39.173 53.215 1.00 0.00 C ATOM 796 C LYS A 52 51.981 39.925 52.707 1.00 0.00 C ATOM 797 O LYS A 52 52.990 39.930 53.415 1.00 0.00 O ATOM 798 CB LYS A 52 50.973 37.654 53.323 1.00 0.00 C ATOM 799 CG LYS A 52 50.304 36.985 54.537 1.00 0.00 C ATOM 800 CD LYS A 52 48.831 37.322 54.817 1.00 0.00 C ATOM 801 CE LYS A 52 48.604 38.442 55.843 1.00 0.00 C ATOM 802 NZ LYS A 52 49.006 38.043 57.216 1.00 0.00 N ATOM 0 H LYS A 52 49.254 38.633 51.860 1.00 0.00 H new ATOM 0 HA LYS A 52 50.570 39.556 54.220 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.601 37.180 52.414 1.00 0.00 H new ATOM 0 HB3 LYS A 52 52.045 37.463 53.366 1.00 0.00 H new ATOM 0 HG2 LYS A 52 50.383 35.905 54.410 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.882 37.245 55.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.355 37.607 53.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.328 36.421 55.168 1.00 0.00 H new ATOM 0 HE2 LYS A 52 49.169 39.325 55.544 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.551 38.723 55.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 48.476 38.607 57.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 48.799 37.034 57.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 50.025 38.208 57.341 1.00 0.00 H new ATOM 816 N LYS A 53 51.921 40.561 51.522 1.00 0.00 N ATOM 817 CA LYS A 53 53.072 41.282 50.938 1.00 0.00 C ATOM 818 C LYS A 53 53.353 42.553 51.739 1.00 0.00 C ATOM 819 O LYS A 53 52.577 43.510 51.694 1.00 0.00 O ATOM 820 CB LYS A 53 52.932 41.523 49.432 1.00 0.00 C ATOM 821 CG LYS A 53 54.278 41.968 48.825 1.00 0.00 C ATOM 822 CD LYS A 53 54.379 41.676 47.324 1.00 0.00 C ATOM 823 CE LYS A 53 53.327 42.412 46.496 1.00 0.00 C ATOM 824 NZ LYS A 53 53.428 42.027 45.066 1.00 0.00 N ATOM 0 H LYS A 53 51.081 40.591 50.945 1.00 0.00 H new ATOM 0 HA LYS A 53 53.950 40.641 51.020 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.590 40.611 48.943 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.175 42.286 49.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.411 43.037 48.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 55.091 41.461 49.345 1.00 0.00 H new ATOM 0 HD2 LYS A 53 55.371 41.957 46.972 1.00 0.00 H new ATOM 0 HD3 LYS A 53 54.275 40.603 47.161 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.331 42.178 46.872 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.462 43.489 46.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 52.664 42.484 44.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 54.347 42.333 44.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 53.344 40.994 44.978 1.00 0.00 H new ATOM 838 N TYR A 54 54.455 42.522 52.487 1.00 0.00 N ATOM 839 CA TYR A 54 54.667 43.305 53.712 1.00 0.00 C ATOM 840 C TYR A 54 54.453 44.822 53.548 1.00 0.00 C ATOM 841 O TYR A 54 54.695 45.401 52.488 1.00 0.00 O ATOM 842 CB TYR A 54 56.056 42.993 54.284 1.00 0.00 C ATOM 843 CG TYR A 54 56.131 42.970 55.802 1.00 0.00 C ATOM 844 CD1 TYR A 54 56.386 44.150 56.529 1.00 0.00 C ATOM 845 CD2 TYR A 54 55.959 41.752 56.491 1.00 0.00 C ATOM 846 CE1 TYR A 54 56.444 44.115 57.935 1.00 0.00 C ATOM 847 CE2 TYR A 54 56.031 41.712 57.900 1.00 0.00 C ATOM 848 CZ TYR A 54 56.262 42.899 58.632 1.00 0.00 C ATOM 849 OH TYR A 54 56.317 42.902 59.992 1.00 0.00 O ATOM 0 H TYR A 54 55.254 41.933 52.252 1.00 0.00 H new ATOM 0 HA TYR A 54 53.894 42.997 54.416 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.381 42.024 53.904 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.762 43.735 53.911 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.537 45.083 56.006 1.00 0.00 H new ATOM 0 HD2 TYR A 54 55.771 40.844 55.937 1.00 0.00 H new ATOM 0 HE1 TYR A 54 56.629 45.025 58.486 1.00 0.00 H new ATOM 0 HE2 TYR A 54 55.909 40.773 58.420 1.00 0.00 H new ATOM 0 HH TYR A 54 56.172 41.993 60.327 1.00 0.00 H new ATOM 933 N PRO A 61 59.934 42.223 48.242 1.00 0.00 N ATOM 934 CA PRO A 61 58.982 41.116 48.329 1.00 0.00 C ATOM 935 C PRO A 61 59.251 40.139 49.479 1.00 0.00 C ATOM 936 O PRO A 61 60.098 39.250 49.425 1.00 0.00 O ATOM 937 CB PRO A 61 59.002 40.428 46.967 1.00 0.00 C ATOM 938 CG PRO A 61 60.407 40.731 46.448 1.00 0.00 C ATOM 939 CD PRO A 61 60.661 42.140 46.982 1.00 0.00 C ATOM 0 HA PRO A 61 57.993 41.507 48.567 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.827 39.356 47.054 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.233 40.824 46.304 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.141 40.017 46.822 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.454 40.695 45.360 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.726 42.315 47.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.310 42.894 46.278 1.00 0.00 H new ATOM 947 N SER A 62 58.420 40.272 50.503 1.00 0.00 N ATOM 948 CA SER A 62 58.331 39.384 51.658 1.00 0.00 C ATOM 949 C SER A 62 56.887 39.247 52.119 1.00 0.00 C ATOM 950 O SER A 62 56.079 40.164 51.964 1.00 0.00 O ATOM 951 CB SER A 62 59.286 39.849 52.751 1.00 0.00 C ATOM 952 OG SER A 62 58.874 39.569 54.079 1.00 0.00 O ATOM 0 H SER A 62 57.754 41.042 50.555 1.00 0.00 H new ATOM 0 HA SER A 62 58.650 38.380 51.379 1.00 0.00 H new ATOM 0 HB2 SER A 62 60.257 39.383 52.584 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.428 40.925 52.652 1.00 0.00 H new ATOM 0 HG SER A 62 58.784 38.600 54.196 1.00 0.00 H new ATOM 958 N PHE A 63 56.582 38.086 52.683 1.00 0.00 N ATOM 959 CA PHE A 63 55.241 37.550 52.884 1.00 0.00 C ATOM 960 C PHE A 63 55.135 37.018 54.299 1.00 0.00 C ATOM 961 O PHE A 63 55.747 36.021 54.662 1.00 0.00 O ATOM 962 CB PHE A 63 54.929 36.481 51.835 1.00 0.00 C ATOM 963 CG PHE A 63 54.926 37.034 50.421 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.125 37.091 49.687 1.00 0.00 C ATOM 965 CD2 PHE A 63 53.738 37.533 49.855 1.00 0.00 C ATOM 966 CE1 PHE A 63 56.136 37.610 48.381 1.00 0.00 C ATOM 967 CE2 PHE A 63 53.748 38.049 48.547 1.00 0.00 C ATOM 968 CZ PHE A 63 54.943 38.072 47.804 1.00 0.00 C ATOM 0 H PHE A 63 57.305 37.457 53.033 1.00 0.00 H new ATOM 0 HA PHE A 63 54.497 38.336 52.757 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.666 35.681 51.907 1.00 0.00 H new ATOM 0 HB3 PHE A 63 53.956 36.039 52.050 1.00 0.00 H new ATOM 0 HD1 PHE A 63 57.043 36.734 50.130 1.00 0.00 H new ATOM 0 HD2 PHE A 63 52.820 37.520 50.424 1.00 0.00 H new ATOM 0 HE1 PHE A 63 57.060 37.653 47.823 1.00 0.00 H new ATOM 0 HE2 PHE A 63 52.836 38.429 48.111 1.00 0.00 H new ATOM 0 HZ PHE A 63 54.942 38.445 46.790 1.00 0.00 H new ATOM 978 N SER A 64 54.375 37.739 55.113 1.00 0.00 N ATOM 979 CA SER A 64 54.302 37.502 56.557 1.00 0.00 C ATOM 980 C SER A 64 53.652 36.174 56.959 1.00 0.00 C ATOM 981 O SER A 64 53.886 35.717 58.073 1.00 0.00 O ATOM 982 CB SER A 64 53.636 38.696 57.238 1.00 0.00 C ATOM 983 OG SER A 64 52.324 38.939 56.736 1.00 0.00 O ATOM 0 H SER A 64 53.788 38.509 54.793 1.00 0.00 H new ATOM 0 HA SER A 64 55.329 37.405 56.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 53.585 38.518 58.312 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.250 39.585 57.091 1.00 0.00 H new ATOM 0 HG SER A 64 51.934 39.709 57.199 1.00 0.00 H new ATOM 989 N GLU A 65 52.888 35.531 56.067 1.00 0.00 N ATOM 990 CA GLU A 65 52.342 34.181 56.269 1.00 0.00 C ATOM 991 C GLU A 65 52.208 33.434 54.929 1.00 0.00 C ATOM 992 O GLU A 65 51.984 34.043 53.882 1.00 0.00 O ATOM 993 CB GLU A 65 50.965 34.207 56.950 1.00 0.00 C ATOM 994 CG GLU A 65 50.900 34.938 58.300 1.00 0.00 C ATOM 995 CD GLU A 65 49.485 34.970 58.883 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.579 35.512 58.207 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.289 34.572 60.056 1.00 0.00 O ATOM 0 H GLU A 65 52.627 35.940 55.170 1.00 0.00 H new ATOM 0 HA GLU A 65 53.047 33.663 56.919 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.253 34.675 56.270 1.00 0.00 H new ATOM 0 HB3 GLU A 65 50.635 33.179 57.099 1.00 0.00 H new ATOM 0 HG2 GLU A 65 51.570 34.448 59.007 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.261 35.959 58.174 1.00 0.00 H new ATOM 1004 N ALA A 66 52.242 32.101 54.974 1.00 0.00 N ATOM 1005 CA ALA A 66 51.839 31.238 53.859 1.00 0.00 C ATOM 1006 C ALA A 66 50.314 31.049 53.896 1.00 0.00 C ATOM 1007 O ALA A 66 49.800 30.027 54.362 1.00 0.00 O ATOM 1008 CB ALA A 66 52.634 29.927 53.923 1.00 0.00 C ATOM 0 H ALA A 66 52.554 31.583 55.795 1.00 0.00 H new ATOM 0 HA ALA A 66 52.071 31.691 52.895 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.338 29.281 53.096 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.700 30.144 53.851 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.429 29.423 54.868 1.00 0.00 H new ATOM 1162 N GLY A 78 51.138 20.446 50.013 1.00 0.00 N ATOM 1163 CA GLY A 78 52.143 19.776 49.184 1.00 0.00 C ATOM 1164 C GLY A 78 53.483 20.511 49.125 1.00 0.00 C ATOM 1165 O GLY A 78 54.317 20.202 48.273 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.307 18.770 49.570 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.753 19.669 48.172 1.00 0.00 H new ATOM 1169 N ILE A 79 53.698 21.479 50.023 1.00 0.00 N ATOM 1170 CA ILE A 79 54.983 22.170 50.195 1.00 0.00 C ATOM 1171 C ILE A 79 55.819 21.534 51.309 1.00 0.00 C ATOM 1172 O ILE A 79 55.343 20.742 52.121 1.00 0.00 O ATOM 1173 CB ILE A 79 54.810 23.696 50.366 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.194 24.129 51.713 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.994 24.256 49.187 1.00 0.00 C ATOM 1176 CD1 ILE A 79 55.191 24.290 52.870 1.00 0.00 C ATOM 0 H ILE A 79 52.974 21.810 50.661 1.00 0.00 H new ATOM 0 HA ILE A 79 55.547 22.040 49.272 1.00 0.00 H new ATOM 0 HB ILE A 79 55.815 24.118 50.371 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.675 25.076 51.568 1.00 0.00 H new ATOM 0 HG13 ILE A 79 53.442 23.395 52.003 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.872 25.332 49.308 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.518 24.053 48.253 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.014 23.780 49.164 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.658 24.596 53.770 1.00 0.00 H new ATOM 0 HD12 ILE A 79 55.694 23.340 53.052 1.00 0.00 H new ATOM 0 HD13 ILE A 79 55.930 25.048 52.611 1.00 0.00 H new ATOM 1188 N LEU A 80 57.088 21.917 51.357 1.00 0.00 N ATOM 1189 CA LEU A 80 58.096 21.432 52.290 1.00 0.00 C ATOM 1190 C LEU A 80 59.025 22.576 52.719 1.00 0.00 C ATOM 1191 O LEU A 80 58.865 23.732 52.332 1.00 0.00 O ATOM 1192 CB LEU A 80 58.832 20.228 51.680 1.00 0.00 C ATOM 1193 CG LEU A 80 58.796 18.994 52.590 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.081 17.744 51.774 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.763 19.052 53.775 1.00 0.00 C ATOM 0 H LEU A 80 57.462 22.612 50.711 1.00 0.00 H new ATOM 0 HA LEU A 80 57.623 21.076 53.205 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.381 19.980 50.719 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.869 20.501 51.485 1.00 0.00 H new ATOM 0 HG LEU A 80 57.792 18.970 53.014 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.054 16.870 52.425 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.327 17.639 50.994 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.067 17.825 51.316 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.671 18.140 54.365 1.00 0.00 H new ATOM 0 HD22 LEU A 80 60.785 19.145 53.407 1.00 0.00 H new ATOM 0 HD23 LEU A 80 59.523 19.913 54.399 1.00 0.00 H new ATOM 1207 N ARG A 81 59.947 22.264 53.620 1.00 0.00 N ATOM 1208 CA ARG A 81 60.774 23.212 54.364 1.00 0.00 C ATOM 1209 C ARG A 81 62.052 22.564 54.880 1.00 0.00 C ATOM 1210 O ARG A 81 62.190 21.344 54.887 1.00 0.00 O ATOM 1211 CB ARG A 81 59.966 23.846 55.503 1.00 0.00 C ATOM 1212 CG ARG A 81 59.150 22.823 56.299 1.00 0.00 C ATOM 1213 CD ARG A 81 57.659 22.986 56.006 1.00 0.00 C ATOM 1214 NE ARG A 81 56.882 21.807 56.433 1.00 0.00 N ATOM 1215 CZ ARG A 81 55.574 21.647 56.313 1.00 0.00 C ATOM 1216 NH1 ARG A 81 54.775 22.623 56.000 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.014 20.490 56.491 1.00 0.00 N ATOM 0 H ARG A 81 60.151 21.295 53.866 1.00 0.00 H new ATOM 0 HA ARG A 81 61.078 24.003 53.679 1.00 0.00 H new ATOM 0 HB2 ARG A 81 60.646 24.365 56.178 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.293 24.597 55.089 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.470 21.813 56.041 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.334 22.952 57.366 1.00 0.00 H new ATOM 0 HD2 ARG A 81 57.284 23.873 56.517 1.00 0.00 H new ATOM 0 HD3 ARG A 81 57.515 23.148 54.938 1.00 0.00 H new ATOM 0 HE ARG A 81 57.403 21.042 56.862 1.00 0.00 H new ATOM 0 HH11 ARG A 81 55.151 23.557 55.836 1.00 0.00 H new ATOM 0 HH12 ARG A 81 53.772 22.455 55.918 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.584 19.679 56.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 54.003 20.392 56.393 1.00 0.00 H new ATOM 1231 N ARG A 82 62.987 23.427 55.254 1.00 0.00 N ATOM 1232 CA ARG A 82 64.409 23.228 55.366 1.00 0.00 C ATOM 1233 C ARG A 82 64.914 24.387 56.235 1.00 0.00 C ATOM 1234 O ARG A 82 64.306 25.448 56.363 1.00 0.00 O ATOM 1235 CB ARG A 82 64.991 23.246 53.944 1.00 0.00 C ATOM 1236 CG ARG A 82 66.018 22.152 53.645 1.00 0.00 C ATOM 1237 CD ARG A 82 67.285 22.350 54.471 1.00 0.00 C ATOM 1238 NE ARG A 82 68.382 21.497 54.004 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.263 21.820 53.077 1.00 0.00 C ATOM 1240 NH1 ARG A 82 69.169 22.892 52.348 1.00 0.00 N ATOM 1241 NH2 ARG A 82 70.271 21.038 52.832 1.00 0.00 N ATOM 0 H ARG A 82 62.731 24.380 55.511 1.00 0.00 H new ATOM 0 HA ARG A 82 64.701 22.282 55.822 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.171 23.156 53.232 1.00 0.00 H new ATOM 0 HB3 ARG A 82 65.457 24.216 53.772 1.00 0.00 H new ATOM 0 HG2 ARG A 82 65.587 21.175 53.862 1.00 0.00 H new ATOM 0 HG3 ARG A 82 66.266 22.162 52.584 1.00 0.00 H new ATOM 0 HD2 ARG A 82 67.591 23.395 54.421 1.00 0.00 H new ATOM 0 HD3 ARG A 82 67.074 22.130 55.517 1.00 0.00 H new ATOM 0 HE ARG A 82 68.472 20.576 54.432 1.00 0.00 H new ATOM 0 HH11 ARG A 82 68.385 23.531 52.480 1.00 0.00 H new ATOM 0 HH12 ARG A 82 69.879 23.094 51.644 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.383 20.171 53.357 1.00 0.00 H new ATOM 0 HH22 ARG A 82 70.950 21.291 52.114 1.00 0.00 H new ATOM 1255 N LEU A 83 66.045 24.162 56.852 1.00 0.00 N ATOM 1256 CA LEU A 83 66.870 25.127 57.555 1.00 0.00 C ATOM 1257 C LEU A 83 68.302 25.132 57.006 1.00 0.00 C ATOM 1258 O LEU A 83 68.811 24.104 56.574 1.00 0.00 O ATOM 1259 CB LEU A 83 66.898 24.852 59.064 1.00 0.00 C ATOM 1260 CG LEU A 83 65.660 25.153 59.922 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.438 24.274 59.651 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.029 24.959 61.396 1.00 0.00 C ATOM 0 H LEU A 83 66.450 23.227 56.882 1.00 0.00 H new ATOM 0 HA LEU A 83 66.423 26.107 57.390 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.136 23.797 59.197 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.728 25.421 59.482 1.00 0.00 H new ATOM 0 HG LEU A 83 65.378 26.174 59.664 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.623 24.571 60.310 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.127 24.393 58.613 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.692 23.230 59.836 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.160 25.169 62.019 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.352 23.931 61.558 1.00 0.00 H new ATOM 0 HD23 LEU A 83 66.838 25.639 61.661 1.00 0.00 H new ATOM 1274 N ASP A 84 68.962 26.281 57.112 1.00 0.00 N ATOM 1275 CA ASP A 84 70.337 26.538 56.658 1.00 0.00 C ATOM 1276 C ASP A 84 71.188 27.196 57.774 1.00 0.00 C ATOM 1277 O ASP A 84 72.230 27.800 57.530 1.00 0.00 O ATOM 1278 CB ASP A 84 70.277 27.351 55.350 1.00 0.00 C ATOM 1279 CG ASP A 84 70.640 26.605 54.056 1.00 0.00 C ATOM 1280 OD1 ASP A 84 71.051 25.421 54.072 1.00 0.00 O ATOM 1281 OD2 ASP A 84 70.520 27.257 52.996 1.00 0.00 O ATOM 0 H ASP A 84 68.536 27.104 57.538 1.00 0.00 H new ATOM 0 HA ASP A 84 70.849 25.601 56.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.268 27.748 55.242 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.947 28.205 55.449 1.00 0.00 H new ATOM 1286 N THR A 85 70.770 27.041 59.039 1.00 0.00 N ATOM 1287 CA THR A 85 71.421 27.547 60.275 1.00 0.00 C ATOM 1288 C THR A 85 72.754 26.852 60.636 1.00 0.00 C ATOM 1289 O THR A 85 73.115 26.691 61.804 1.00 0.00 O ATOM 1290 CB THR A 85 70.397 27.547 61.424 1.00 0.00 C ATOM 1291 OG1 THR A 85 70.901 28.247 62.531 1.00 0.00 O ATOM 1292 CG2 THR A 85 69.956 26.159 61.889 1.00 0.00 C ATOM 0 H THR A 85 69.914 26.527 59.249 1.00 0.00 H new ATOM 0 HA THR A 85 71.734 28.573 60.083 1.00 0.00 H new ATOM 0 HB THR A 85 69.516 28.037 61.009 1.00 0.00 H new ATOM 0 HG1 THR A 85 71.835 27.991 62.683 1.00 0.00 H new ATOM 0 HG21 THR A 85 69.235 26.259 62.700 1.00 0.00 H new ATOM 0 HG22 THR A 85 69.495 25.626 61.057 1.00 0.00 H new ATOM 0 HG23 THR A 85 70.823 25.601 62.241 1.00 0.00 H new ATOM 1300 N SER A 86 73.484 26.442 59.600 1.00 0.00 N ATOM 1301 CA SER A 86 74.732 25.667 59.577 1.00 0.00 C ATOM 1302 C SER A 86 75.718 26.233 58.527 1.00 0.00 C ATOM 1303 O SER A 86 76.720 25.606 58.173 1.00 0.00 O ATOM 1304 CB SER A 86 74.387 24.194 59.324 1.00 0.00 C ATOM 1305 OG SER A 86 75.435 23.351 59.748 1.00 0.00 O ATOM 0 H SER A 86 73.186 26.667 58.651 1.00 0.00 H new ATOM 0 HA SER A 86 75.240 25.745 60.538 1.00 0.00 H new ATOM 0 HB2 SER A 86 73.470 23.935 59.853 1.00 0.00 H new ATOM 0 HB3 SER A 86 74.197 24.038 58.262 1.00 0.00 H new ATOM 0 HG SER A 86 76.292 23.715 59.441 1.00 0.00 H new ATOM 1311 N LEU A 87 75.409 27.435 58.019 1.00 0.00 N ATOM 1312 CA LEU A 87 76.183 28.235 57.063 1.00 0.00 C ATOM 1313 C LEU A 87 76.805 29.483 57.718 1.00 0.00 C ATOM 1314 O LEU A 87 77.061 30.485 57.054 1.00 0.00 O ATOM 1315 CB LEU A 87 75.295 28.590 55.858 1.00 0.00 C ATOM 1316 CG LEU A 87 74.717 27.406 55.065 1.00 0.00 C ATOM 1317 CD1 LEU A 87 73.892 27.932 53.894 1.00 0.00 C ATOM 1318 CD2 LEU A 87 75.799 26.483 54.502 1.00 0.00 C ATOM 0 H LEU A 87 74.546 27.908 58.287 1.00 0.00 H new ATOM 0 HA LEU A 87 77.025 27.640 56.711 1.00 0.00 H new ATOM 0 HB2 LEU A 87 74.465 29.202 56.213 1.00 0.00 H new ATOM 0 HB3 LEU A 87 75.877 29.208 55.174 1.00 0.00 H new ATOM 0 HG LEU A 87 74.107 26.831 55.762 1.00 0.00 H new ATOM 0 HD11 LEU A 87 73.482 27.093 53.332 1.00 0.00 H new ATOM 0 HD12 LEU A 87 73.076 28.549 54.272 1.00 0.00 H new ATOM 0 HD13 LEU A 87 74.527 28.531 53.241 1.00 0.00 H new ATOM 0 HD21 LEU A 87 75.331 25.666 53.953 1.00 0.00 H new ATOM 0 HD22 LEU A 87 76.446 27.048 53.831 1.00 0.00 H new ATOM 0 HD23 LEU A 87 76.392 26.076 55.321 1.00 0.00 H new ATOM 1330 N GLY A 88 76.988 29.449 59.039 1.00 0.00 N ATOM 1331 CA GLY A 88 77.610 30.521 59.835 1.00 0.00 C ATOM 1332 C GLY A 88 76.624 31.555 60.383 1.00 0.00 C ATOM 1333 O GLY A 88 76.922 32.286 61.328 1.00 0.00 O ATOM 0 H GLY A 88 76.700 28.652 59.607 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.148 30.072 60.670 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.349 31.033 59.218 1.00 0.00 H new ATOM 1337 N CYS A 89 75.414 31.581 59.829 1.00 0.00 N ATOM 1338 CA CYS A 89 74.316 32.438 60.266 1.00 0.00 C ATOM 1339 C CYS A 89 72.969 31.696 60.150 1.00 0.00 C ATOM 1340 O CYS A 89 72.795 30.925 59.202 1.00 0.00 O ATOM 1341 CB CYS A 89 74.364 33.699 59.399 1.00 0.00 C ATOM 1342 SG CYS A 89 73.326 35.013 60.105 1.00 0.00 S ATOM 0 H CYS A 89 75.163 30.987 59.039 1.00 0.00 H new ATOM 0 HA CYS A 89 74.416 32.711 61.316 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.393 34.049 59.316 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.024 33.464 58.390 1.00 0.00 H new ATOM 0 HG CYS A 89 73.389 36.069 59.349 1.00 0.00 H new ATOM 1348 N PRO A 90 72.000 31.893 61.065 1.00 0.00 N ATOM 1349 CA PRO A 90 70.674 31.298 60.942 1.00 0.00 C ATOM 1350 C PRO A 90 69.932 31.749 59.677 1.00 0.00 C ATOM 1351 O PRO A 90 69.871 32.940 59.354 1.00 0.00 O ATOM 1352 CB PRO A 90 69.921 31.648 62.230 1.00 0.00 C ATOM 1353 CG PRO A 90 70.667 32.871 62.763 1.00 0.00 C ATOM 1354 CD PRO A 90 72.105 32.583 62.341 1.00 0.00 C ATOM 0 HA PRO A 90 70.751 30.217 60.825 1.00 0.00 H new ATOM 0 HB2 PRO A 90 68.873 31.873 62.033 1.00 0.00 H new ATOM 0 HB3 PRO A 90 69.942 30.824 62.943 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.293 33.797 62.327 1.00 0.00 H new ATOM 0 HG3 PRO A 90 70.572 32.966 63.845 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.678 33.505 62.244 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.616 31.967 63.081 1.00 0.00 H new ATOM 1362 N ARG A 91 69.347 30.762 58.989 1.00 0.00 N ATOM 1363 CA ARG A 91 68.499 30.841 57.787 1.00 0.00 C ATOM 1364 C ARG A 91 67.481 29.702 57.813 1.00 0.00 C ATOM 1365 O ARG A 91 67.733 28.636 58.383 1.00 0.00 O ATOM 1366 CB ARG A 91 69.341 30.705 56.512 1.00 0.00 C ATOM 1367 CG ARG A 91 70.318 31.857 56.246 1.00 0.00 C ATOM 1368 CD ARG A 91 69.539 33.174 56.186 1.00 0.00 C ATOM 1369 NE ARG A 91 70.355 34.294 55.682 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.024 35.158 56.423 1.00 0.00 C ATOM 1371 NH1 ARG A 91 71.117 35.067 57.718 1.00 0.00 N ATOM 1372 NH2 ARG A 91 71.621 36.172 55.879 1.00 0.00 N ATOM 0 H ARG A 91 69.465 29.793 59.286 1.00 0.00 H new ATOM 0 HA ARG A 91 67.999 31.810 57.785 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.908 29.775 56.568 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.668 30.617 55.659 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.070 31.901 57.034 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.848 31.691 55.308 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.667 33.047 55.544 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.169 33.418 57.182 1.00 0.00 H new ATOM 0 HE ARG A 91 70.407 34.412 54.670 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.659 34.299 58.209 1.00 0.00 H new ATOM 0 HH12 ARG A 91 71.647 35.763 58.241 1.00 0.00 H new ATOM 0 HH21 ARG A 91 71.577 36.308 54.869 1.00 0.00 H new ATOM 0 HH22 ARG A 91 72.135 36.833 56.461 1.00 0.00 H new ATOM 1386 N MET A 92 66.359 29.919 57.146 1.00 0.00 N ATOM 1387 CA MET A 92 65.247 29.006 56.969 1.00 0.00 C ATOM 1388 C MET A 92 64.824 29.047 55.500 1.00 0.00 C ATOM 1389 O MET A 92 64.919 30.076 54.836 1.00 0.00 O ATOM 1390 CB MET A 92 64.101 29.392 57.906 1.00 0.00 C ATOM 1391 CG MET A 92 63.915 28.347 58.999 1.00 0.00 C ATOM 1392 SD MET A 92 62.635 28.745 60.211 1.00 0.00 S ATOM 1393 CE MET A 92 62.690 27.207 61.167 1.00 0.00 C ATOM 0 H MET A 92 66.192 30.810 56.678 1.00 0.00 H new ATOM 0 HA MET A 92 65.537 27.986 57.223 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.306 30.363 58.357 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.178 29.495 57.335 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.671 27.392 58.533 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.862 28.214 59.521 1.00 0.00 H new ATOM 0 HE1 MET A 92 62.170 27.349 62.115 1.00 0.00 H new ATOM 0 HE2 MET A 92 62.205 26.410 60.603 1.00 0.00 H new ATOM 0 HE3 MET A 92 63.728 26.935 61.360 1.00 0.00 H new ATOM 1403 N GLU A 93 64.390 27.914 54.985 1.00 0.00 N ATOM 1404 CA GLU A 93 64.155 27.695 53.551 1.00 0.00 C ATOM 1405 C GLU A 93 62.871 26.881 53.311 1.00 0.00 C ATOM 1406 O GLU A 93 62.588 25.932 54.043 1.00 0.00 O ATOM 1407 CB GLU A 93 65.447 27.061 53.006 1.00 0.00 C ATOM 1408 CG GLU A 93 65.367 26.293 51.684 1.00 0.00 C ATOM 1409 CD GLU A 93 66.767 25.763 51.345 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.167 24.727 51.928 1.00 0.00 O ATOM 1411 OE2 GLU A 93 67.471 26.433 50.553 1.00 0.00 O ATOM 0 H GLU A 93 64.183 27.094 55.556 1.00 0.00 H new ATOM 0 HA GLU A 93 63.962 28.620 53.007 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.184 27.855 52.887 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.831 26.380 53.765 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.659 25.468 51.767 1.00 0.00 H new ATOM 0 HG3 GLU A 93 65.005 26.944 50.888 1.00 0.00 H new ATOM 1418 N VAL A 94 62.065 27.254 52.310 1.00 0.00 N ATOM 1419 CA VAL A 94 60.810 26.571 51.960 1.00 0.00 C ATOM 1420 C VAL A 94 60.729 26.246 50.469 1.00 0.00 C ATOM 1421 O VAL A 94 61.116 27.033 49.600 1.00 0.00 O ATOM 1422 CB VAL A 94 59.543 27.287 52.476 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.605 27.546 53.989 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.194 28.619 51.806 1.00 0.00 C ATOM 0 H VAL A 94 62.268 28.053 51.709 1.00 0.00 H new ATOM 0 HA VAL A 94 60.837 25.622 52.495 1.00 0.00 H new ATOM 0 HB VAL A 94 58.760 26.576 52.212 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.694 28.051 54.309 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.699 26.597 54.517 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.467 28.174 54.216 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.286 29.024 52.253 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.014 29.323 51.948 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.033 28.459 50.740 1.00 0.00 H new ATOM 1434 N VAL A 95 60.220 25.050 50.175 1.00 0.00 N ATOM 1435 CA VAL A 95 60.177 24.492 48.816 1.00 0.00 C ATOM 1436 C VAL A 95 58.772 24.021 48.468 1.00 0.00 C ATOM 1437 O VAL A 95 58.017 23.602 49.341 1.00 0.00 O ATOM 1438 CB VAL A 95 61.218 23.368 48.607 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.644 23.826 48.948 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.934 22.106 49.430 1.00 0.00 C ATOM 0 H VAL A 95 59.820 24.431 50.880 1.00 0.00 H new ATOM 0 HA VAL A 95 60.447 25.295 48.130 1.00 0.00 H new ATOM 0 HB VAL A 95 61.135 23.128 47.547 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.339 23.002 48.786 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.919 24.665 48.309 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.687 24.136 49.992 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.705 21.361 49.232 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.934 22.356 50.491 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.960 21.702 49.153 1.00 0.00 H new ATOM 1450 N CYS A 96 58.436 24.029 47.186 1.00 0.00 N ATOM 1451 CA CYS A 96 57.307 23.332 46.653 1.00 0.00 C ATOM 1452 C CYS A 96 57.807 21.936 46.278 1.00 0.00 C ATOM 1453 O CYS A 96 58.756 21.765 45.519 1.00 0.00 O ATOM 1454 CB CYS A 96 56.777 24.160 45.490 1.00 0.00 C ATOM 1455 SG CYS A 96 55.428 23.249 44.700 1.00 0.00 S ATOM 0 H CYS A 96 58.966 24.540 46.480 1.00 0.00 H new ATOM 0 HA CYS A 96 56.473 23.203 47.343 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.423 25.128 45.845 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.573 24.356 44.771 1.00 0.00 H new ATOM 0 HG CYS A 96 55.322 23.621 43.459 1.00 0.00 H new ATOM 1460 N LYS A 97 57.180 20.947 46.887 1.00 0.00 N ATOM 1461 CA LYS A 97 57.331 19.508 46.607 1.00 0.00 C ATOM 1462 C LYS A 97 56.396 19.042 45.473 1.00 0.00 C ATOM 1463 O LYS A 97 56.672 18.032 44.828 1.00 0.00 O ATOM 1464 CB LYS A 97 57.253 18.757 47.954 1.00 0.00 C ATOM 1465 CG LYS A 97 56.979 17.248 47.908 1.00 0.00 C ATOM 1466 CD LYS A 97 55.478 16.925 47.838 1.00 0.00 C ATOM 1467 CE LYS A 97 55.247 15.422 48.003 1.00 0.00 C ATOM 1468 NZ LYS A 97 53.860 15.066 47.648 1.00 0.00 N ATOM 0 H LYS A 97 56.510 21.123 47.636 1.00 0.00 H new ATOM 0 HA LYS A 97 58.307 19.266 46.187 1.00 0.00 H new ATOM 0 HB2 LYS A 97 58.195 18.912 48.481 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.471 19.223 48.554 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.481 16.817 47.042 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.408 16.777 48.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 54.946 17.469 48.618 1.00 0.00 H new ATOM 0 HD3 LYS A 97 55.072 17.259 46.883 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.943 14.870 47.371 1.00 0.00 H new ATOM 0 HE3 LYS A 97 55.451 15.128 49.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.723 14.042 47.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.201 15.577 48.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 53.677 15.327 46.658 1.00 0.00 H new ATOM 1482 N GLN A 98 55.350 19.806 45.154 1.00 0.00 N ATOM 1483 CA GLN A 98 54.461 19.567 44.017 1.00 0.00 C ATOM 1484 C GLN A 98 55.125 19.768 42.642 1.00 0.00 C ATOM 1485 O GLN A 98 54.737 19.137 41.657 1.00 0.00 O ATOM 1486 CB GLN A 98 53.223 20.445 44.113 1.00 0.00 C ATOM 1487 CG GLN A 98 52.515 20.369 45.468 1.00 0.00 C ATOM 1488 CD GLN A 98 51.038 20.717 45.389 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.215 20.151 46.100 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.642 21.651 44.556 1.00 0.00 N ATOM 0 H GLN A 98 55.091 20.631 45.695 1.00 0.00 H new ATOM 0 HA GLN A 98 54.189 18.513 44.080 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.507 21.479 43.919 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.522 20.155 43.330 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.624 19.363 45.872 1.00 0.00 H new ATOM 0 HG3 GLN A 98 53.005 21.048 46.166 1.00 0.00 H new ATOM 0 HE21 GLN A 98 51.322 22.126 43.962 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.655 21.902 44.503 1.00 0.00 H new ATOM 1499 N CYS A 99 56.124 20.640 42.587 1.00 0.00 N ATOM 1500 CA CYS A 99 56.934 20.951 41.413 1.00 0.00 C ATOM 1501 C CYS A 99 58.475 20.899 41.642 1.00 0.00 C ATOM 1502 O CYS A 99 59.253 21.007 40.686 1.00 0.00 O ATOM 1503 CB CYS A 99 56.409 22.291 40.889 1.00 0.00 C ATOM 1504 SG CYS A 99 56.261 23.556 42.187 1.00 0.00 S ATOM 0 H CYS A 99 56.407 21.180 43.405 1.00 0.00 H new ATOM 0 HA CYS A 99 56.821 20.172 40.659 1.00 0.00 H new ATOM 0 HB2 CYS A 99 57.077 22.656 40.109 1.00 0.00 H new ATOM 0 HB3 CYS A 99 55.434 22.137 40.427 1.00 0.00 H new ATOM 0 HG CYS A 99 56.341 22.991 43.355 1.00 0.00 H new ATOM 1509 N GLU A 100 58.908 20.658 42.885 1.00 0.00 N ATOM 1510 CA GLU A 100 60.311 20.547 43.339 1.00 0.00 C ATOM 1511 C GLU A 100 61.129 21.837 43.147 1.00 0.00 C ATOM 1512 O GLU A 100 62.298 21.819 42.740 1.00 0.00 O ATOM 1513 CB GLU A 100 60.942 19.248 42.831 1.00 0.00 C ATOM 1514 CG GLU A 100 60.317 18.059 43.579 1.00 0.00 C ATOM 1515 CD GLU A 100 60.127 16.846 42.674 1.00 0.00 C ATOM 1516 OE1 GLU A 100 60.995 16.587 41.810 1.00 0.00 O ATOM 1517 OE2 GLU A 100 59.076 16.179 42.760 1.00 0.00 O ATOM 0 H GLU A 100 58.251 20.526 43.654 1.00 0.00 H new ATOM 0 HA GLU A 100 60.318 20.455 44.425 1.00 0.00 H new ATOM 0 HB2 GLU A 100 60.779 19.145 41.758 1.00 0.00 H new ATOM 0 HB3 GLU A 100 62.020 19.267 42.989 1.00 0.00 H new ATOM 0 HG2 GLU A 100 60.953 17.786 44.421 1.00 0.00 H new ATOM 0 HG3 GLU A 100 59.353 18.357 43.992 1.00 0.00 H new ATOM 1524 N ALA A 101 60.507 22.976 43.466 1.00 0.00 N ATOM 1525 CA ALA A 101 61.038 24.319 43.330 1.00 0.00 C ATOM 1526 C ALA A 101 61.366 24.961 44.681 1.00 0.00 C ATOM 1527 O ALA A 101 60.582 24.940 45.622 1.00 0.00 O ATOM 1528 CB ALA A 101 60.062 25.157 42.495 1.00 0.00 C ATOM 0 H ALA A 101 59.562 22.975 43.849 1.00 0.00 H new ATOM 0 HA ALA A 101 61.993 24.271 42.807 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.452 26.169 42.387 1.00 0.00 H new ATOM 0 HB2 ALA A 101 59.946 24.706 41.510 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.094 25.193 42.994 1.00 0.00 H new ATOM 1534 N HIS A 102 62.542 25.572 44.769 1.00 0.00 N ATOM 1535 CA HIS A 102 62.902 26.485 45.851 1.00 0.00 C ATOM 1536 C HIS A 102 62.224 27.836 45.578 1.00 0.00 C ATOM 1537 O HIS A 102 62.519 28.453 44.551 1.00 0.00 O ATOM 1538 CB HIS A 102 64.432 26.636 45.913 1.00 0.00 C ATOM 1539 CG HIS A 102 65.263 25.381 46.083 1.00 0.00 C ATOM 1540 ND1 HIS A 102 64.857 24.068 45.971 1.00 0.00 N ATOM 1541 CD2 HIS A 102 66.615 25.357 46.301 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.936 23.279 46.104 1.00 0.00 C ATOM 1543 NE2 HIS A 102 67.038 24.022 46.293 1.00 0.00 N ATOM 0 H HIS A 102 63.284 25.446 44.081 1.00 0.00 H new ATOM 0 HA HIS A 102 62.566 26.099 46.813 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.756 27.130 44.997 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.668 27.308 46.738 1.00 0.00 H new ATOM 0 HD2 HIS A 102 67.247 26.220 46.453 1.00 0.00 H new ATOM 0 HE1 HIS A 102 65.919 22.200 46.064 1.00 0.00 H new ATOM 0 HE2 HIS A 102 67.993 23.682 46.408 1.00 0.00 H new ATOM 1551 N LEU A 103 61.288 28.277 46.429 1.00 0.00 N ATOM 1552 CA LEU A 103 60.447 29.457 46.136 1.00 0.00 C ATOM 1553 C LEU A 103 60.588 30.622 47.108 1.00 0.00 C ATOM 1554 O LEU A 103 60.498 31.795 46.738 1.00 0.00 O ATOM 1555 CB LEU A 103 58.968 29.032 46.030 1.00 0.00 C ATOM 1556 CG LEU A 103 58.616 28.054 44.902 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.122 27.742 44.948 1.00 0.00 C ATOM 1558 CD2 LEU A 103 58.935 28.613 43.517 1.00 0.00 C ATOM 0 H LEU A 103 61.090 27.837 47.328 1.00 0.00 H new ATOM 0 HA LEU A 103 60.816 29.840 45.185 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.674 28.580 46.977 1.00 0.00 H new ATOM 0 HB3 LEU A 103 58.363 29.930 45.904 1.00 0.00 H new ATOM 0 HG LEU A 103 59.220 27.160 45.060 1.00 0.00 H new ATOM 0 HD11 LEU A 103 56.871 27.047 44.147 1.00 0.00 H new ATOM 0 HD12 LEU A 103 56.874 27.293 45.909 1.00 0.00 H new ATOM 0 HD13 LEU A 103 56.554 28.663 44.821 1.00 0.00 H new ATOM 0 HD21 LEU A 103 58.666 27.879 42.758 1.00 0.00 H new ATOM 0 HD22 LEU A 103 58.366 29.529 43.354 1.00 0.00 H new ATOM 0 HD23 LEU A 103 60.001 28.831 43.449 1.00 0.00 H new ATOM 1570 N GLY A 104 60.788 30.252 48.354 1.00 0.00 N ATOM 1571 CA GLY A 104 60.657 31.071 49.535 1.00 0.00 C ATOM 1572 C GLY A 104 61.758 30.793 50.546 1.00 0.00 C ATOM 1573 O GLY A 104 62.073 29.645 50.847 1.00 0.00 O ATOM 0 H GLY A 104 61.068 29.298 48.583 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.683 32.123 49.251 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.687 30.889 49.997 1.00 0.00 H new ATOM 1577 N HIS A 105 62.369 31.847 51.067 1.00 0.00 N ATOM 1578 CA HIS A 105 63.544 31.734 51.927 1.00 0.00 C ATOM 1579 C HIS A 105 63.608 32.897 52.926 1.00 0.00 C ATOM 1580 O HIS A 105 63.125 33.998 52.677 1.00 0.00 O ATOM 1581 CB HIS A 105 64.831 31.588 51.094 1.00 0.00 C ATOM 1582 CG HIS A 105 64.656 31.119 49.661 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.385 31.910 48.563 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.590 29.819 49.235 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.149 31.107 47.513 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.272 29.819 47.870 1.00 0.00 N ATOM 0 H HIS A 105 62.066 32.808 50.907 1.00 0.00 H new ATOM 0 HA HIS A 105 63.454 30.822 52.517 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.340 32.552 51.079 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.491 30.887 51.605 1.00 0.00 H new ATOM 0 HD1 HIS A 105 64.367 32.930 48.551 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.755 28.944 49.846 1.00 0.00 H new ATOM 0 HE1 HIS A 105 63.896 31.449 46.521 1.00 0.00 H new ATOM 1594 N VAL A 106 64.158 32.640 54.105 1.00 0.00 N ATOM 1595 CA VAL A 106 63.771 33.304 55.347 1.00 0.00 C ATOM 1596 C VAL A 106 65.014 33.630 56.159 1.00 0.00 C ATOM 1597 O VAL A 106 65.868 32.774 56.410 1.00 0.00 O ATOM 1598 CB VAL A 106 62.836 32.408 56.176 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.217 33.182 57.341 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.713 31.747 55.363 1.00 0.00 C ATOM 0 H VAL A 106 64.900 31.951 54.230 1.00 0.00 H new ATOM 0 HA VAL A 106 63.241 34.223 55.098 1.00 0.00 H new ATOM 0 HB VAL A 106 63.477 31.609 56.548 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.561 32.522 57.909 1.00 0.00 H new ATOM 0 HG12 VAL A 106 63.008 33.554 57.992 1.00 0.00 H new ATOM 0 HG13 VAL A 106 61.640 34.022 56.954 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.100 31.133 56.022 1.00 0.00 H new ATOM 0 HG22 VAL A 106 61.093 32.518 54.905 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.148 31.121 54.584 1.00 0.00 H new ATOM 1610 N PHE A 107 65.113 34.893 56.555 1.00 0.00 N ATOM 1611 CA PHE A 107 66.317 35.420 57.209 1.00 0.00 C ATOM 1612 C PHE A 107 66.090 36.545 58.238 1.00 0.00 C ATOM 1613 O PHE A 107 65.167 37.350 58.083 1.00 0.00 O ATOM 1614 CB PHE A 107 67.328 35.864 56.137 1.00 0.00 C ATOM 1615 CG PHE A 107 66.897 36.967 55.188 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.133 36.654 54.048 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.356 38.285 55.374 1.00 0.00 C ATOM 1618 CE1 PHE A 107 65.840 37.649 53.101 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.056 39.283 54.432 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.303 38.964 53.290 1.00 0.00 C ATOM 0 H PHE A 107 64.370 35.581 56.436 1.00 0.00 H new ATOM 0 HA PHE A 107 66.706 34.594 57.804 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.236 36.191 56.644 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.593 34.991 55.541 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.771 35.647 53.901 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.943 38.530 56.247 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.258 37.404 52.225 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.404 40.294 54.586 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.080 39.727 52.559 1.00 0.00 H new ATOM 1630 N PRO A 108 66.958 36.652 59.269 1.00 0.00 N ATOM 1631 CA PRO A 108 67.178 37.901 59.994 1.00 0.00 C ATOM 1632 C PRO A 108 67.892 38.916 59.094 1.00 0.00 C ATOM 1633 O PRO A 108 68.911 38.604 58.483 1.00 0.00 O ATOM 1634 CB PRO A 108 68.079 37.540 61.176 1.00 0.00 C ATOM 1635 CG PRO A 108 68.889 36.353 60.663 1.00 0.00 C ATOM 1636 CD PRO A 108 67.936 35.653 59.696 1.00 0.00 C ATOM 0 HA PRO A 108 66.237 38.347 60.317 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.723 38.373 61.458 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.496 37.276 62.058 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.801 36.678 60.162 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.190 35.693 61.476 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.479 35.253 58.840 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.442 34.811 60.182 1.00 0.00 H new ATOM 1644 N ASP A 109 67.407 40.153 59.053 1.00 0.00 N ATOM 1645 CA ASP A 109 67.982 41.219 58.205 1.00 0.00 C ATOM 1646 C ASP A 109 69.152 41.992 58.842 1.00 0.00 C ATOM 1647 O ASP A 109 69.569 43.042 58.355 1.00 0.00 O ATOM 1648 CB ASP A 109 66.861 42.133 57.727 1.00 0.00 C ATOM 1649 CG ASP A 109 66.275 43.009 58.832 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.581 42.447 59.713 1.00 0.00 O ATOM 1651 OD2 ASP A 109 66.385 44.252 58.733 1.00 0.00 O ATOM 0 H ASP A 109 66.603 40.456 59.603 1.00 0.00 H new ATOM 0 HA ASP A 109 68.447 40.734 57.347 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.240 42.773 56.930 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.066 41.525 57.297 1.00 0.00 H new ATOM 1656 N GLY A 110 69.666 41.467 59.950 1.00 0.00 N ATOM 1657 CA GLY A 110 70.758 42.036 60.746 1.00 0.00 C ATOM 1658 C GLY A 110 70.660 41.652 62.227 1.00 0.00 C ATOM 1659 O GLY A 110 71.502 40.880 62.695 1.00 0.00 O ATOM 0 H GLY A 110 69.318 40.591 60.339 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.713 41.693 60.347 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.745 43.122 60.653 1.00 0.00 H new ATOM 1663 N PRO A 111 69.635 42.140 62.958 1.00 0.00 N ATOM 1664 CA PRO A 111 69.414 41.830 64.372 1.00 0.00 C ATOM 1665 C PRO A 111 68.892 40.392 64.579 1.00 0.00 C ATOM 1666 O PRO A 111 68.999 39.530 63.703 1.00 0.00 O ATOM 1667 CB PRO A 111 68.450 42.929 64.850 1.00 0.00 C ATOM 1668 CG PRO A 111 67.594 43.199 63.617 1.00 0.00 C ATOM 1669 CD PRO A 111 68.614 43.073 62.485 1.00 0.00 C ATOM 0 HA PRO A 111 70.332 41.836 64.959 1.00 0.00 H new ATOM 0 HB2 PRO A 111 67.847 42.596 65.695 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.985 43.822 65.173 1.00 0.00 H new ATOM 0 HG2 PRO A 111 66.783 42.477 63.517 1.00 0.00 H new ATOM 0 HG3 PRO A 111 67.138 44.188 63.646 1.00 0.00 H new ATOM 0 HD2 PRO A 111 68.142 42.704 61.575 1.00 0.00 H new ATOM 0 HD3 PRO A 111 69.053 44.042 62.247 1.00 0.00 H new ATOM 1677 N LYS A 112 68.351 40.086 65.765 1.00 0.00 N ATOM 1678 CA LYS A 112 67.873 38.738 66.117 1.00 0.00 C ATOM 1679 C LYS A 112 66.741 38.254 65.195 1.00 0.00 C ATOM 1680 O LYS A 112 65.860 39.049 64.850 1.00 0.00 O ATOM 1681 CB LYS A 112 67.458 38.695 67.595 1.00 0.00 C ATOM 1682 CG LYS A 112 68.602 38.321 68.530 1.00 0.00 C ATOM 1683 CD LYS A 112 69.812 39.256 68.475 1.00 0.00 C ATOM 1684 CE LYS A 112 70.550 39.082 69.798 1.00 0.00 C ATOM 1685 NZ LYS A 112 72.002 39.329 69.667 1.00 0.00 N ATOM 0 H LYS A 112 68.231 40.769 66.513 1.00 0.00 H new ATOM 0 HA LYS A 112 68.700 38.044 65.967 1.00 0.00 H new ATOM 0 HB2 LYS A 112 67.065 39.670 67.884 1.00 0.00 H new ATOM 0 HB3 LYS A 112 66.648 37.976 67.717 1.00 0.00 H new ATOM 0 HG2 LYS A 112 68.224 38.300 69.552 1.00 0.00 H new ATOM 0 HG3 LYS A 112 68.931 37.310 68.291 1.00 0.00 H new ATOM 0 HD2 LYS A 112 70.458 39.006 67.634 1.00 0.00 H new ATOM 0 HD3 LYS A 112 69.498 40.291 68.339 1.00 0.00 H new ATOM 0 HE2 LYS A 112 70.133 39.766 70.537 1.00 0.00 H new ATOM 0 HE3 LYS A 112 70.388 38.071 70.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 72.461 39.199 70.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 72.408 38.660 68.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 72.160 40.302 69.336 1.00 0.00 H new ATOM 1699 N PRO A 113 66.687 36.948 64.856 1.00 0.00 N ATOM 1700 CA PRO A 113 65.670 36.375 63.972 1.00 0.00 C ATOM 1701 C PRO A 113 64.257 36.379 64.559 1.00 0.00 C ATOM 1702 O PRO A 113 63.319 36.087 63.832 1.00 0.00 O ATOM 1703 CB PRO A 113 66.157 34.969 63.608 1.00 0.00 C ATOM 1704 CG PRO A 113 66.979 34.582 64.829 1.00 0.00 C ATOM 1705 CD PRO A 113 67.622 35.901 65.245 1.00 0.00 C ATOM 0 HA PRO A 113 65.564 36.996 63.083 1.00 0.00 H new ATOM 0 HB2 PRO A 113 65.327 34.282 63.442 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.757 34.970 62.698 1.00 0.00 H new ATOM 0 HG2 PRO A 113 66.354 34.170 65.622 1.00 0.00 H new ATOM 0 HG3 PRO A 113 67.727 33.827 64.588 1.00 0.00 H new ATOM 0 HD2 PRO A 113 67.806 35.923 66.319 1.00 0.00 H new ATOM 0 HD3 PRO A 113 68.585 36.037 64.753 1.00 0.00 H new ATOM 1713 N THR A 114 64.046 36.833 65.798 1.00 0.00 N ATOM 1714 CA THR A 114 62.707 37.286 66.232 1.00 0.00 C ATOM 1715 C THR A 114 62.109 38.288 65.219 1.00 0.00 C ATOM 1716 O THR A 114 60.921 38.228 64.912 1.00 0.00 O ATOM 1717 CB THR A 114 62.781 37.927 67.630 1.00 0.00 C ATOM 1718 OG1 THR A 114 63.574 37.134 68.491 1.00 0.00 O ATOM 1719 CG2 THR A 114 61.406 38.056 68.284 1.00 0.00 C ATOM 0 H THR A 114 64.769 36.899 66.514 1.00 0.00 H new ATOM 0 HA THR A 114 62.055 36.414 66.279 1.00 0.00 H new ATOM 0 HB THR A 114 63.211 38.918 67.487 1.00 0.00 H new ATOM 0 HG1 THR A 114 63.615 37.553 69.376 1.00 0.00 H new ATOM 0 HG21 THR A 114 61.512 38.514 69.268 1.00 0.00 H new ATOM 0 HG22 THR A 114 60.764 38.679 67.661 1.00 0.00 H new ATOM 0 HG23 THR A 114 60.959 37.067 68.390 1.00 0.00 H new ATOM 1727 N GLY A 115 62.958 39.131 64.614 1.00 0.00 N ATOM 1728 CA GLY A 115 62.648 40.088 63.546 1.00 0.00 C ATOM 1729 C GLY A 115 62.794 39.594 62.101 1.00 0.00 C ATOM 1730 O GLY A 115 62.925 40.420 61.193 1.00 0.00 O ATOM 0 H GLY A 115 63.943 39.163 64.876 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.622 40.429 63.685 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.293 40.957 63.673 1.00 0.00 H new ATOM 1734 N GLN A 116 62.865 38.282 61.877 1.00 0.00 N ATOM 1735 CA GLN A 116 63.011 37.661 60.554 1.00 0.00 C ATOM 1736 C GLN A 116 61.952 38.069 59.514 1.00 0.00 C ATOM 1737 O GLN A 116 60.781 38.260 59.846 1.00 0.00 O ATOM 1738 CB GLN A 116 63.181 36.143 60.636 1.00 0.00 C ATOM 1739 CG GLN A 116 61.949 35.517 61.256 1.00 0.00 C ATOM 1740 CD GLN A 116 61.030 34.760 60.309 1.00 0.00 C ATOM 1741 OE1 GLN A 116 60.995 33.539 60.295 1.00 0.00 O ATOM 1742 NE2 GLN A 116 60.239 35.446 59.517 1.00 0.00 N ATOM 0 H GLN A 116 62.821 37.598 62.632 1.00 0.00 H new ATOM 0 HA GLN A 116 63.941 38.080 60.171 1.00 0.00 H new ATOM 0 HB2 GLN A 116 63.345 35.733 59.640 1.00 0.00 H new ATOM 0 HB3 GLN A 116 64.061 35.899 61.230 1.00 0.00 H new ATOM 0 HG2 GLN A 116 62.271 34.832 62.041 1.00 0.00 H new ATOM 0 HG3 GLN A 116 61.370 36.305 61.738 1.00 0.00 H new ATOM 0 HE21 GLN A 116 60.267 36.466 59.527 1.00 0.00 H new ATOM 0 HE22 GLN A 116 59.597 34.959 58.892 1.00 0.00 H new ATOM 1751 N ARG A 117 62.335 38.088 58.234 1.00 0.00 N ATOM 1752 CA ARG A 117 61.453 38.280 57.080 1.00 0.00 C ATOM 1753 C ARG A 117 61.464 37.036 56.203 1.00 0.00 C ATOM 1754 O ARG A 117 62.519 36.441 55.973 1.00 0.00 O ATOM 1755 CB ARG A 117 61.837 39.553 56.306 1.00 0.00 C ATOM 1756 CG ARG A 117 63.288 39.584 55.775 1.00 0.00 C ATOM 1757 CD ARG A 117 63.623 40.913 55.084 1.00 0.00 C ATOM 1758 NE ARG A 117 63.543 42.038 56.029 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.117 43.220 55.948 1.00 0.00 C ATOM 1760 NH1 ARG A 117 64.858 43.604 54.950 1.00 0.00 N ATOM 1761 NH2 ARG A 117 63.972 44.050 56.931 1.00 0.00 N ATOM 0 H ARG A 117 63.310 37.965 57.963 1.00 0.00 H new ATOM 0 HA ARG A 117 60.430 38.424 57.427 1.00 0.00 H new ATOM 0 HB2 ARG A 117 61.155 39.667 55.463 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.686 40.415 56.956 1.00 0.00 H new ATOM 0 HG2 ARG A 117 63.979 39.422 56.602 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.434 38.764 55.072 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.625 40.862 54.659 1.00 0.00 H new ATOM 0 HD3 ARG A 117 62.933 41.080 54.256 1.00 0.00 H new ATOM 0 HE ARG A 117 62.967 41.881 56.856 1.00 0.00 H new ATOM 0 HH11 ARG A 117 65.024 42.973 54.166 1.00 0.00 H new ATOM 0 HH12 ARG A 117 65.273 44.536 54.952 1.00 0.00 H new ATOM 0 HH21 ARG A 117 63.422 43.783 57.747 1.00 0.00 H new ATOM 0 HH22 ARG A 117 64.408 44.971 56.889 1.00 0.00 H new ATOM 1775 N PHE A 118 60.291 36.670 55.701 1.00 0.00 N ATOM 1776 CA PHE A 118 60.150 35.569 54.740 1.00 0.00 C ATOM 1777 C PHE A 118 60.111 36.122 53.304 1.00 0.00 C ATOM 1778 O PHE A 118 59.080 36.618 52.853 1.00 0.00 O ATOM 1779 CB PHE A 118 58.933 34.676 55.052 1.00 0.00 C ATOM 1780 CG PHE A 118 58.505 34.486 56.501 1.00 0.00 C ATOM 1781 CD1 PHE A 118 57.703 35.457 57.134 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.792 33.288 57.180 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.202 35.234 58.430 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.304 33.067 58.480 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.502 34.037 59.103 1.00 0.00 C ATOM 0 H PHE A 118 59.410 37.123 55.944 1.00 0.00 H new ATOM 0 HA PHE A 118 61.024 34.925 54.832 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.080 35.082 54.508 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.135 33.689 54.637 1.00 0.00 H new ATOM 0 HD1 PHE A 118 57.471 36.379 56.621 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.393 32.531 56.698 1.00 0.00 H new ATOM 0 HE1 PHE A 118 56.587 35.983 58.907 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.546 32.151 58.999 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.117 33.864 60.097 1.00 0.00 H new ATOM 1795 N CYS A 119 61.231 36.061 52.584 1.00 0.00 N ATOM 1796 CA CYS A 119 61.298 36.429 51.165 1.00 0.00 C ATOM 1797 C CYS A 119 60.660 35.348 50.291 1.00 0.00 C ATOM 1798 O CYS A 119 60.840 34.162 50.560 1.00 0.00 O ATOM 1799 CB CYS A 119 62.747 36.638 50.765 1.00 0.00 C ATOM 1800 SG CYS A 119 62.887 37.225 49.050 1.00 0.00 S ATOM 0 H CYS A 119 62.124 35.753 52.969 1.00 0.00 H new ATOM 0 HA CYS A 119 60.742 37.355 51.016 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.210 37.360 51.437 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.295 35.702 50.876 1.00 0.00 H new ATOM 0 HG CYS A 119 61.931 38.070 48.801 1.00 0.00 H new ATOM 1806 N ILE A 120 59.983 35.744 49.214 1.00 0.00 N ATOM 1807 CA ILE A 120 59.516 34.809 48.166 1.00 0.00 C ATOM 1808 C ILE A 120 59.688 35.439 46.776 1.00 0.00 C ATOM 1809 O ILE A 120 59.303 36.589 46.559 1.00 0.00 O ATOM 1810 CB ILE A 120 58.075 34.308 48.401 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.861 33.784 49.841 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.671 33.233 47.374 1.00 0.00 C ATOM 1813 CD1 ILE A 120 56.490 33.174 50.129 1.00 0.00 C ATOM 0 H ILE A 120 59.738 36.718 49.034 1.00 0.00 H new ATOM 0 HA ILE A 120 60.143 33.919 48.222 1.00 0.00 H new ATOM 0 HB ILE A 120 57.427 35.174 48.265 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.623 33.034 50.052 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.024 34.608 50.536 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.650 32.906 47.572 1.00 0.00 H new ATOM 0 HG22 ILE A 120 57.729 33.650 46.369 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.347 32.382 47.453 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.451 32.840 51.166 1.00 0.00 H new ATOM 0 HD12 ILE A 120 55.716 33.922 49.959 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.324 32.324 49.468 1.00 0.00 H new ATOM 1825 N ASN A 121 60.256 34.695 45.822 1.00 0.00 N ATOM 1826 CA ASN A 121 60.598 35.228 44.494 1.00 0.00 C ATOM 1827 C ASN A 121 59.466 35.037 43.458 1.00 0.00 C ATOM 1828 O ASN A 121 59.336 33.980 42.842 1.00 0.00 O ATOM 1829 CB ASN A 121 62.000 34.744 44.054 1.00 0.00 C ATOM 1830 CG ASN A 121 62.276 33.251 44.108 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.243 32.820 44.706 1.00 0.00 O ATOM 1832 ND2 ASN A 121 61.555 32.439 43.382 1.00 0.00 N ATOM 0 H ASN A 121 60.492 33.710 45.945 1.00 0.00 H new ATOM 0 HA ASN A 121 60.677 36.313 44.564 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.166 35.080 43.030 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.740 35.246 44.678 1.00 0.00 H new ATOM 0 HD21 ASN A 121 61.805 31.452 43.320 1.00 0.00 H new ATOM 0 HD22 ASN A 121 60.742 32.792 42.877 1.00 0.00 H new ATOM 1839 N SER A 122 58.677 36.094 43.220 1.00 0.00 N ATOM 1840 CA SER A 122 57.448 36.073 42.398 1.00 0.00 C ATOM 1841 C SER A 122 57.588 35.479 40.991 1.00 0.00 C ATOM 1842 O SER A 122 56.653 34.849 40.508 1.00 0.00 O ATOM 1843 CB SER A 122 56.883 37.491 42.259 1.00 0.00 C ATOM 1844 OG SER A 122 57.827 38.386 41.694 1.00 0.00 O ATOM 0 H SER A 122 58.878 37.018 43.604 1.00 0.00 H new ATOM 0 HA SER A 122 56.780 35.407 42.944 1.00 0.00 H new ATOM 0 HB2 SER A 122 55.989 37.466 41.636 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.578 37.857 43.239 1.00 0.00 H new ATOM 0 HG SER A 122 57.428 39.278 41.620 1.00 0.00 H new ATOM 1850 N VAL A 123 58.764 35.613 40.365 1.00 0.00 N ATOM 1851 CA VAL A 123 59.146 35.031 39.058 1.00 0.00 C ATOM 1852 C VAL A 123 58.798 33.551 38.875 1.00 0.00 C ATOM 1853 O VAL A 123 58.588 33.102 37.751 1.00 0.00 O ATOM 1854 CB VAL A 123 60.664 35.215 38.878 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.531 34.448 39.890 1.00 0.00 C ATOM 1856 CG2 VAL A 123 61.169 34.880 37.478 1.00 0.00 C ATOM 0 H VAL A 123 59.522 36.160 40.774 1.00 0.00 H new ATOM 0 HA VAL A 123 58.562 35.560 38.305 1.00 0.00 H new ATOM 0 HB VAL A 123 60.780 36.283 39.060 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.584 34.639 39.685 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.292 34.781 40.900 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.332 33.380 39.804 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.247 35.035 37.433 1.00 0.00 H new ATOM 0 HG22 VAL A 123 60.943 33.839 37.249 1.00 0.00 H new ATOM 0 HG23 VAL A 123 60.679 35.526 36.750 1.00 0.00 H new ATOM 1866 N ALA A 124 58.769 32.803 39.976 1.00 0.00 N ATOM 1867 CA ALA A 124 58.554 31.354 39.987 1.00 0.00 C ATOM 1868 C ALA A 124 57.124 30.902 40.358 1.00 0.00 C ATOM 1869 O ALA A 124 56.904 29.714 40.582 1.00 0.00 O ATOM 1870 CB ALA A 124 59.651 30.717 40.850 1.00 0.00 C ATOM 0 H ALA A 124 58.897 33.195 40.909 1.00 0.00 H new ATOM 0 HA ALA A 124 58.636 30.991 38.962 1.00 0.00 H new ATOM 0 HB1 ALA A 124 59.513 29.636 40.874 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.628 30.949 40.426 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.592 31.113 41.864 1.00 0.00 H new ATOM 1876 N LEU A 125 56.160 31.825 40.422 1.00 0.00 N ATOM 1877 CA LEU A 125 54.753 31.584 40.748 1.00 0.00 C ATOM 1878 C LEU A 125 53.810 32.320 39.779 1.00 0.00 C ATOM 1879 O LEU A 125 54.224 33.185 39.008 1.00 0.00 O ATOM 1880 CB LEU A 125 54.471 32.036 42.194 1.00 0.00 C ATOM 1881 CG LEU A 125 55.330 31.343 43.270 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.471 32.245 43.750 1.00 0.00 C ATOM 1883 CD2 LEU A 125 54.474 30.989 44.487 1.00 0.00 C ATOM 0 H LEU A 125 56.350 32.810 40.238 1.00 0.00 H new ATOM 0 HA LEU A 125 54.564 30.515 40.649 1.00 0.00 H new ATOM 0 HB2 LEU A 125 54.630 33.112 42.260 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.420 31.855 42.417 1.00 0.00 H new ATOM 0 HG LEU A 125 55.744 30.445 42.812 1.00 0.00 H new ATOM 0 HD11 LEU A 125 57.054 31.722 44.508 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.114 32.497 42.907 1.00 0.00 H new ATOM 0 HD13 LEU A 125 56.057 33.159 44.177 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.094 30.500 45.238 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.045 31.899 44.907 1.00 0.00 H new ATOM 0 HD23 LEU A 125 53.672 30.315 44.184 1.00 0.00 H new ATOM 1895 N LYS A 126 52.510 32.024 39.863 1.00 0.00 N ATOM 1896 CA LYS A 126 51.442 32.756 39.170 1.00 0.00 C ATOM 1897 C LYS A 126 50.685 33.651 40.155 1.00 0.00 C ATOM 1898 O LYS A 126 50.289 33.212 41.231 1.00 0.00 O ATOM 1899 CB LYS A 126 50.536 31.751 38.459 1.00 0.00 C ATOM 1900 CG LYS A 126 50.042 32.309 37.124 1.00 0.00 C ATOM 1901 CD LYS A 126 51.162 32.461 36.073 1.00 0.00 C ATOM 1902 CE LYS A 126 51.306 33.926 35.647 1.00 0.00 C ATOM 1903 NZ LYS A 126 52.125 34.074 34.422 1.00 0.00 N ATOM 0 H LYS A 126 52.161 31.250 40.428 1.00 0.00 H new ATOM 0 HA LYS A 126 51.861 33.420 38.414 1.00 0.00 H new ATOM 0 HB2 LYS A 126 51.080 30.822 38.290 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.684 31.511 39.095 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.268 31.652 36.728 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.578 33.281 37.294 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.105 32.102 36.484 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.938 31.844 35.203 1.00 0.00 H new ATOM 0 HE2 LYS A 126 50.317 34.351 35.475 1.00 0.00 H new ATOM 0 HE3 LYS A 126 51.761 34.495 36.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 52.195 35.081 34.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 53.077 33.692 34.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 51.678 33.553 33.641 1.00 0.00 H new ATOM 1917 N PHE A 127 50.506 34.926 39.818 1.00 0.00 N ATOM 1918 CA PHE A 127 49.962 35.924 40.741 1.00 0.00 C ATOM 1919 C PHE A 127 49.045 36.931 40.049 1.00 0.00 C ATOM 1920 O PHE A 127 49.253 37.284 38.888 1.00 0.00 O ATOM 1921 CB PHE A 127 51.117 36.606 41.477 1.00 0.00 C ATOM 1922 CG PHE A 127 52.186 37.234 40.601 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.068 38.571 40.176 1.00 0.00 C ATOM 1924 CD2 PHE A 127 53.309 36.476 40.213 1.00 0.00 C ATOM 1925 CE1 PHE A 127 53.066 39.146 39.367 1.00 0.00 C ATOM 1926 CE2 PHE A 127 54.298 37.047 39.393 1.00 0.00 C ATOM 1927 CZ PHE A 127 54.178 38.381 38.973 1.00 0.00 C ATOM 0 H PHE A 127 50.734 35.299 38.896 1.00 0.00 H new ATOM 0 HA PHE A 127 49.328 35.414 41.467 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.703 37.381 42.123 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.593 35.871 42.126 1.00 0.00 H new ATOM 0 HD1 PHE A 127 51.210 39.157 40.471 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.410 35.454 40.546 1.00 0.00 H new ATOM 0 HE1 PHE A 127 52.978 40.174 39.049 1.00 0.00 H new ATOM 0 HE2 PHE A 127 55.150 36.459 39.086 1.00 0.00 H new ATOM 0 HZ PHE A 127 54.940 38.820 38.347 1.00 0.00 H new ATOM 1937 N LYS A 128 48.015 37.376 40.774 1.00 0.00 N ATOM 1938 CA LYS A 128 46.958 38.264 40.278 1.00 0.00 C ATOM 1939 C LYS A 128 46.308 39.076 41.405 1.00 0.00 C ATOM 1940 O LYS A 128 46.240 38.589 42.540 1.00 0.00 O ATOM 1941 CB LYS A 128 45.913 37.426 39.521 1.00 0.00 C ATOM 1942 CG LYS A 128 45.316 36.258 40.329 1.00 0.00 C ATOM 1943 CD LYS A 128 44.362 35.434 39.459 1.00 0.00 C ATOM 1944 CE LYS A 128 44.086 34.090 40.133 1.00 0.00 C ATOM 1945 NZ LYS A 128 43.203 33.253 39.298 1.00 0.00 N ATOM 0 H LYS A 128 47.889 37.120 41.753 1.00 0.00 H new ATOM 0 HA LYS A 128 47.405 38.990 39.599 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.102 38.082 39.203 1.00 0.00 H new ATOM 0 HB3 LYS A 128 46.373 37.027 38.617 1.00 0.00 H new ATOM 0 HG2 LYS A 128 46.117 35.621 40.704 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.783 36.644 41.198 1.00 0.00 H new ATOM 0 HD2 LYS A 128 43.428 35.977 39.311 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.798 35.275 38.473 1.00 0.00 H new ATOM 0 HE2 LYS A 128 45.026 33.568 40.311 1.00 0.00 H new ATOM 0 HE3 LYS A 128 43.624 34.255 41.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.030 32.346 39.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 42.298 33.744 39.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 43.657 33.078 38.379 1.00 0.00 H new ATOM 1959 N PRO A 129 45.804 40.291 41.124 1.00 0.00 N ATOM 1960 CA PRO A 129 44.985 41.027 42.076 1.00 0.00 C ATOM 1961 C PRO A 129 43.590 40.402 42.224 1.00 0.00 C ATOM 1962 O PRO A 129 43.185 39.532 41.457 1.00 0.00 O ATOM 1963 CB PRO A 129 44.930 42.458 41.543 1.00 0.00 C ATOM 1964 CG PRO A 129 44.989 42.251 40.033 1.00 0.00 C ATOM 1965 CD PRO A 129 45.912 41.040 39.878 1.00 0.00 C ATOM 0 HA PRO A 129 45.408 41.001 43.080 1.00 0.00 H new ATOM 0 HB2 PRO A 129 44.017 42.969 41.847 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.766 43.058 41.903 1.00 0.00 H new ATOM 0 HG2 PRO A 129 44.001 42.060 39.615 1.00 0.00 H new ATOM 0 HG3 PRO A 129 45.387 43.128 39.522 1.00 0.00 H new ATOM 0 HD2 PRO A 129 45.613 40.428 39.027 1.00 0.00 H new ATOM 0 HD3 PRO A 129 46.940 41.354 39.699 1.00 0.00 H new ATOM 1973 N SER A 130 42.858 40.868 43.231 1.00 0.00 N ATOM 1974 CA SER A 130 41.471 40.462 43.522 1.00 0.00 C ATOM 1975 C SER A 130 40.461 41.389 42.855 1.00 0.00 C ATOM 1976 O SER A 130 39.439 40.963 42.320 1.00 0.00 O ATOM 1977 CB SER A 130 41.249 40.503 45.031 1.00 0.00 C ATOM 1978 OG SER A 130 40.465 39.402 45.448 1.00 0.00 O ATOM 0 H SER A 130 43.216 41.559 43.891 1.00 0.00 H new ATOM 0 HA SER A 130 41.324 39.455 43.130 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.210 40.488 45.546 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.754 41.434 45.306 1.00 0.00 H new ATOM 0 HG SER A 130 40.334 39.443 46.418 1.00 0.00 H new ATOM 1984 N LYS A 131 40.769 42.683 42.940 1.00 0.00 N ATOM 1985 CA LYS A 131 39.994 43.817 42.429 1.00 0.00 C ATOM 1986 C LYS A 131 39.719 43.733 40.905 1.00 0.00 C ATOM 1987 O LYS A 131 40.523 43.148 40.170 1.00 0.00 O ATOM 1988 CB LYS A 131 40.745 45.118 42.778 1.00 0.00 C ATOM 1989 CG LYS A 131 41.074 45.319 44.273 1.00 0.00 C ATOM 1990 CD LYS A 131 39.892 45.247 45.256 1.00 0.00 C ATOM 1991 CE LYS A 131 38.774 46.227 44.884 1.00 0.00 C ATOM 1992 NZ LYS A 131 37.833 46.458 46.006 1.00 0.00 N ATOM 0 H LYS A 131 41.626 42.989 43.400 1.00 0.00 H new ATOM 0 HA LYS A 131 39.014 43.799 42.906 1.00 0.00 H new ATOM 0 HB2 LYS A 131 41.677 45.141 42.213 1.00 0.00 H new ATOM 0 HB3 LYS A 131 40.146 45.964 42.439 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.806 44.566 44.565 1.00 0.00 H new ATOM 0 HG3 LYS A 131 41.554 46.291 44.388 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.494 44.232 45.271 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.245 45.466 46.264 1.00 0.00 H new ATOM 0 HE2 LYS A 131 39.213 47.177 44.579 1.00 0.00 H new ATOM 0 HE3 LYS A 131 38.225 45.840 44.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 37.095 47.127 45.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 37.393 45.557 46.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.350 46.853 46.817 1.00 0.00 H new