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 35 THR OG1 : rot 26:sc= 0.0864 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -114:sc= 0.0073 (180deg=0) USER MOD Set 2.1: A 105 HIS : no HD1:sc= 0.409 K(o=1.7,f=-6.1!) USER MOD Set 2.2: A 119 CYS SG : rot 52:sc= 1.31 USER MOD Set 3.1: A 40 CYS SG : rot 163:sc= -0.188! USER MOD Set 3.2: A 43 CYS SG : rot -22:sc= -3.22! USER MOD Set 3.3: A 45 SER OG : rot 160:sc= 0.0305 USER MOD Set 3.4: A 96 CYS SG : rot -159:sc= -2.97! USER MOD Set 3.5: A 98 GLN : amide:sc= 0.022 K(o=-9.6,f=-12) USER MOD Set 3.6: A 99 CYS SG : rot -30:sc= -3.27! USER MOD Single : A 37 MET CE :methyl 167:sc= 0 (180deg=-0.199) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc=-0.00294 K(o=-0.0029,f=-1.5!) USER MOD Single : A 42 CYS SG : rot 103:sc= 0.364 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -48:sc= 0.0223 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0.979 (180deg=0.759) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc=7.98e-05 USER MOD Single : A 85 THR OG1 : rot -54:sc= 0.122 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.164 USER MOD Single : A 92 MET CE :methyl -170:sc= -0.0132 (180deg=-0.177) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.646 K(o=-0.65,f=0.02) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 116 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.6) USER MOD Single : A 121 ASN : amide:sc= 0.689 K(o=0.69,f=-0.22) 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 ----------------------------------------------------------------- ATOM 558 N THR A 35 45.977 44.530 48.790 1.00 0.00 N ATOM 559 CA THR A 35 45.402 43.240 49.191 1.00 0.00 C ATOM 560 C THR A 35 45.343 42.330 47.961 1.00 0.00 C ATOM 561 O THR A 35 45.177 42.833 46.851 1.00 0.00 O ATOM 562 CB THR A 35 43.970 43.419 49.704 1.00 0.00 C ATOM 563 OG1 THR A 35 43.768 44.617 50.420 1.00 0.00 O ATOM 564 CG2 THR A 35 43.517 42.277 50.609 1.00 0.00 C ATOM 0 HA THR A 35 46.021 42.813 49.980 1.00 0.00 H new ATOM 0 HB THR A 35 43.379 43.438 48.789 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.419 45.288 50.125 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.495 42.460 50.941 1.00 0.00 H new ATOM 0 HG22 THR A 35 43.557 41.338 50.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.175 42.217 51.476 1.00 0.00 H new ATOM 572 N GLY A 36 45.427 41.011 48.132 1.00 0.00 N ATOM 573 CA GLY A 36 45.464 40.046 47.022 1.00 0.00 C ATOM 574 C GLY A 36 45.853 38.640 47.464 1.00 0.00 C ATOM 575 O GLY A 36 45.926 38.368 48.663 1.00 0.00 O ATOM 0 H GLY A 36 45.472 40.573 49.052 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.484 40.012 46.545 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.173 40.393 46.270 1.00 0.00 H new ATOM 579 N MET A 37 46.167 37.758 46.516 1.00 0.00 N ATOM 580 CA MET A 37 46.573 36.378 46.793 1.00 0.00 C ATOM 581 C MET A 37 47.413 35.755 45.667 1.00 0.00 C ATOM 582 O MET A 37 47.395 36.189 44.515 1.00 0.00 O ATOM 583 CB MET A 37 45.341 35.519 47.119 1.00 0.00 C ATOM 584 CG MET A 37 44.399 35.423 45.918 1.00 0.00 C ATOM 585 SD MET A 37 42.845 34.557 46.238 1.00 0.00 S ATOM 586 CE MET A 37 42.028 35.779 47.303 1.00 0.00 C ATOM 0 H MET A 37 46.147 37.983 45.521 1.00 0.00 H new ATOM 0 HA MET A 37 47.227 36.405 47.665 1.00 0.00 H new ATOM 0 HB2 MET A 37 45.660 34.520 47.415 1.00 0.00 H new ATOM 0 HB3 MET A 37 44.809 35.949 47.968 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.172 36.431 45.571 1.00 0.00 H new ATOM 0 HG3 MET A 37 44.920 34.916 45.106 1.00 0.00 H new ATOM 0 HE1 MET A 37 40.974 35.522 47.410 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.502 35.781 48.284 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.116 36.769 46.855 1.00 0.00 H new ATOM 596 N TYR A 38 48.139 34.711 46.053 1.00 0.00 N ATOM 597 CA TYR A 38 49.179 34.006 45.302 1.00 0.00 C ATOM 598 C TYR A 38 48.871 32.502 45.211 1.00 0.00 C ATOM 599 O TYR A 38 48.283 31.896 46.115 1.00 0.00 O ATOM 600 CB TYR A 38 50.554 34.248 45.956 1.00 0.00 C ATOM 601 CG TYR A 38 51.165 35.634 45.765 1.00 0.00 C ATOM 602 CD1 TYR A 38 50.554 36.777 46.322 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.365 35.773 45.040 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.089 38.057 46.082 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.928 37.046 44.834 1.00 0.00 C ATOM 606 CZ TYR A 38 52.277 38.192 45.333 1.00 0.00 C ATOM 607 OH TYR A 38 52.794 39.427 45.110 1.00 0.00 O ATOM 0 H TYR A 38 48.006 34.300 46.977 1.00 0.00 H new ATOM 0 HA TYR A 38 49.201 34.399 44.285 1.00 0.00 H new ATOM 0 HB2 TYR A 38 50.461 34.061 47.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.253 33.510 45.563 1.00 0.00 H new ATOM 0 HD1 TYR A 38 49.672 36.670 46.935 1.00 0.00 H new ATOM 0 HD2 TYR A 38 52.855 34.898 44.640 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.591 38.933 46.470 1.00 0.00 H new ATOM 0 HE2 TYR A 38 53.858 37.145 44.294 1.00 0.00 H new ATOM 0 HH TYR A 38 53.614 39.347 44.579 1.00 0.00 H new ATOM 617 N HIS A 39 49.227 31.936 44.070 1.00 0.00 N ATOM 618 CA HIS A 39 48.857 30.602 43.606 1.00 0.00 C ATOM 619 C HIS A 39 49.947 30.076 42.662 1.00 0.00 C ATOM 620 O HIS A 39 50.679 30.855 42.048 1.00 0.00 O ATOM 621 CB HIS A 39 47.467 30.646 42.923 1.00 0.00 C ATOM 622 CG HIS A 39 47.050 31.987 42.360 1.00 0.00 C ATOM 623 ND1 HIS A 39 46.450 33.005 43.072 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.198 32.435 41.079 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.267 34.043 42.247 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.717 33.751 41.015 1.00 0.00 N ATOM 0 H HIS A 39 49.820 32.424 43.398 1.00 0.00 H new ATOM 0 HA HIS A 39 48.781 29.917 44.450 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.458 29.915 42.114 1.00 0.00 H new ATOM 0 HB3 HIS A 39 46.717 30.329 43.648 1.00 0.00 H new ATOM 0 HD1 HIS A 39 46.190 32.972 44.058 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.614 31.873 40.256 1.00 0.00 H new ATOM 0 HE1 HIS A 39 45.820 34.984 42.532 1.00 0.00 H new ATOM 634 N CYS A 40 50.065 28.758 42.528 1.00 0.00 N ATOM 635 CA CYS A 40 51.116 28.173 41.726 1.00 0.00 C ATOM 636 C CYS A 40 50.839 28.237 40.204 1.00 0.00 C ATOM 637 O CYS A 40 49.739 28.524 39.716 1.00 0.00 O ATOM 638 CB CYS A 40 51.368 26.761 42.277 1.00 0.00 C ATOM 639 SG CYS A 40 53.108 26.260 42.048 1.00 0.00 S ATOM 0 H CYS A 40 49.442 28.081 42.968 1.00 0.00 H new ATOM 0 HA CYS A 40 52.032 28.757 41.812 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.115 26.732 43.337 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.713 26.050 41.773 1.00 0.00 H new ATOM 0 HG CYS A 40 53.374 25.248 42.820 1.00 0.00 H new ATOM 644 N VAL A 41 51.910 27.941 39.476 1.00 0.00 N ATOM 645 CA VAL A 41 51.932 27.631 38.031 1.00 0.00 C ATOM 646 C VAL A 41 52.863 26.445 37.706 1.00 0.00 C ATOM 647 O VAL A 41 53.080 26.118 36.537 1.00 0.00 O ATOM 648 CB VAL A 41 52.234 28.916 37.236 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.715 29.298 37.233 1.00 0.00 C ATOM 650 CG2 VAL A 41 51.707 28.898 35.799 1.00 0.00 C ATOM 0 H VAL A 41 52.842 27.906 39.890 1.00 0.00 H new ATOM 0 HA VAL A 41 50.947 27.286 37.716 1.00 0.00 H new ATOM 0 HB VAL A 41 51.684 29.682 37.782 1.00 0.00 H new ATOM 0 HG11 VAL A 41 53.854 30.212 36.655 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.051 29.462 38.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.297 28.493 36.785 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.960 29.837 35.307 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.161 28.070 35.255 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.624 28.774 35.810 1.00 0.00 H new ATOM 660 N CYS A 42 53.411 25.791 38.740 1.00 0.00 N ATOM 661 CA CYS A 42 54.320 24.655 38.645 1.00 0.00 C ATOM 662 C CYS A 42 53.754 23.397 39.331 1.00 0.00 C ATOM 663 O CYS A 42 53.980 22.285 38.848 1.00 0.00 O ATOM 664 CB CYS A 42 55.656 25.079 39.254 1.00 0.00 C ATOM 665 SG CYS A 42 56.482 26.331 38.231 1.00 0.00 S ATOM 0 H CYS A 42 53.220 26.057 39.706 1.00 0.00 H new ATOM 0 HA CYS A 42 54.454 24.379 37.599 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.491 25.476 40.256 1.00 0.00 H new ATOM 0 HB3 CYS A 42 56.303 24.208 39.359 1.00 0.00 H new ATOM 0 HG CYS A 42 56.342 27.501 38.780 1.00 0.00 H new ATOM 671 N CYS A 43 52.957 23.539 40.394 1.00 0.00 N ATOM 672 CA CYS A 43 52.020 22.553 40.877 1.00 0.00 C ATOM 673 C CYS A 43 50.605 22.945 40.399 1.00 0.00 C ATOM 674 O CYS A 43 50.288 22.761 39.220 1.00 0.00 O ATOM 675 CB CYS A 43 52.256 22.374 42.387 1.00 0.00 C ATOM 676 SG CYS A 43 52.246 23.921 43.334 1.00 0.00 S ATOM 0 H CYS A 43 52.957 24.388 40.959 1.00 0.00 H new ATOM 0 HA CYS A 43 52.159 21.553 40.466 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.488 21.712 42.787 1.00 0.00 H new ATOM 0 HB3 CYS A 43 53.214 21.877 42.536 1.00 0.00 H new ATOM 0 HG CYS A 43 52.511 24.917 42.541 1.00 0.00 H new ATOM 681 N ASP A 44 49.772 23.500 41.277 1.00 0.00 N ATOM 682 CA ASP A 44 48.389 23.892 40.932 1.00 0.00 C ATOM 683 C ASP A 44 47.652 24.792 41.935 1.00 0.00 C ATOM 684 O ASP A 44 46.741 25.526 41.543 1.00 0.00 O ATOM 685 CB ASP A 44 47.534 22.617 40.750 1.00 0.00 C ATOM 686 CG ASP A 44 47.032 22.441 39.313 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.539 23.436 38.728 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.096 21.312 38.774 1.00 0.00 O ATOM 0 H ASP A 44 50.026 23.694 42.246 1.00 0.00 H new ATOM 0 HA ASP A 44 48.504 24.486 40.026 1.00 0.00 H new ATOM 0 HB2 ASP A 44 48.124 21.745 41.034 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.680 22.658 41.426 1.00 0.00 H new ATOM 693 N SER A 45 47.941 24.667 43.228 1.00 0.00 N ATOM 694 CA SER A 45 47.066 25.153 44.293 1.00 0.00 C ATOM 695 C SER A 45 47.178 26.658 44.615 1.00 0.00 C ATOM 696 O SER A 45 48.223 27.287 44.410 1.00 0.00 O ATOM 697 CB SER A 45 47.310 24.313 45.550 1.00 0.00 C ATOM 698 OG SER A 45 48.674 24.280 45.901 1.00 0.00 O ATOM 0 H SER A 45 48.794 24.223 43.569 1.00 0.00 H new ATOM 0 HA SER A 45 46.047 25.037 43.924 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.731 24.722 46.378 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.953 23.297 45.383 1.00 0.00 H new ATOM 0 HG SER A 45 48.763 24.026 46.843 1.00 0.00 H new ATOM 704 N PRO A 46 46.116 27.266 45.186 1.00 0.00 N ATOM 705 CA PRO A 46 46.252 28.481 45.982 1.00 0.00 C ATOM 706 C PRO A 46 47.030 28.190 47.259 1.00 0.00 C ATOM 707 O PRO A 46 46.814 27.169 47.915 1.00 0.00 O ATOM 708 CB PRO A 46 44.840 28.956 46.287 1.00 0.00 C ATOM 709 CG PRO A 46 44.039 27.654 46.301 1.00 0.00 C ATOM 710 CD PRO A 46 44.748 26.772 45.272 1.00 0.00 C ATOM 0 HA PRO A 46 46.806 29.252 45.447 1.00 0.00 H new ATOM 0 HB2 PRO A 46 44.786 29.474 47.244 1.00 0.00 H new ATOM 0 HB3 PRO A 46 44.474 29.648 45.529 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.041 27.195 47.289 1.00 0.00 H new ATOM 0 HG3 PRO A 46 42.997 27.824 46.031 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.731 25.726 45.578 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.252 26.829 44.303 1.00 0.00 H new ATOM 718 N LEU A 47 47.945 29.100 47.588 1.00 0.00 N ATOM 719 CA LEU A 47 49.072 28.765 48.464 1.00 0.00 C ATOM 720 C LEU A 47 49.341 29.802 49.564 1.00 0.00 C ATOM 721 O LEU A 47 49.629 29.413 50.690 1.00 0.00 O ATOM 722 CB LEU A 47 50.295 28.504 47.559 1.00 0.00 C ATOM 723 CG LEU A 47 51.441 27.716 48.208 1.00 0.00 C ATOM 724 CD1 LEU A 47 51.029 26.310 48.649 1.00 0.00 C ATOM 725 CD2 LEU A 47 52.592 27.579 47.209 1.00 0.00 C ATOM 0 H LEU A 47 47.931 30.068 47.266 1.00 0.00 H new ATOM 0 HA LEU A 47 48.829 27.868 49.034 1.00 0.00 H new ATOM 0 HB2 LEU A 47 49.961 27.963 46.674 1.00 0.00 H new ATOM 0 HB3 LEU A 47 50.684 29.463 47.218 1.00 0.00 H new ATOM 0 HG LEU A 47 51.738 28.274 49.096 1.00 0.00 H new ATOM 0 HD11 LEU A 47 51.883 25.805 49.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 50.222 26.379 49.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 50.688 25.743 47.783 1.00 0.00 H new ATOM 0 HD21 LEU A 47 53.407 27.020 47.668 1.00 0.00 H new ATOM 0 HD22 LEU A 47 52.243 27.050 46.322 1.00 0.00 H new ATOM 0 HD23 LEU A 47 52.947 28.570 46.925 1.00 0.00 H new ATOM 737 N PHE A 48 49.223 31.104 49.283 1.00 0.00 N ATOM 738 CA PHE A 48 49.383 32.161 50.296 1.00 0.00 C ATOM 739 C PHE A 48 48.678 33.463 49.880 1.00 0.00 C ATOM 740 O PHE A 48 48.503 33.750 48.697 1.00 0.00 O ATOM 741 CB PHE A 48 50.871 32.386 50.628 1.00 0.00 C ATOM 742 CG PHE A 48 51.798 32.689 49.465 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.320 31.641 48.683 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.194 34.012 49.201 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.196 31.914 47.618 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.086 34.286 48.149 1.00 0.00 C ATOM 747 CZ PHE A 48 53.576 33.240 47.350 1.00 0.00 C ATOM 0 H PHE A 48 49.014 31.458 48.349 1.00 0.00 H new ATOM 0 HA PHE A 48 48.893 31.823 51.209 1.00 0.00 H new ATOM 0 HB2 PHE A 48 50.939 33.210 51.339 1.00 0.00 H new ATOM 0 HB3 PHE A 48 51.243 31.496 51.135 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.045 30.620 48.903 1.00 0.00 H new ATOM 0 HD2 PHE A 48 51.812 34.820 49.808 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.576 31.108 47.008 1.00 0.00 H new ATOM 0 HE2 PHE A 48 53.395 35.303 47.955 1.00 0.00 H new ATOM 0 HZ PHE A 48 54.245 33.455 46.530 1.00 0.00 H new ATOM 757 N SER A 49 48.253 34.278 50.845 1.00 0.00 N ATOM 758 CA SER A 49 47.596 35.562 50.598 1.00 0.00 C ATOM 759 C SER A 49 48.571 36.734 50.686 1.00 0.00 C ATOM 760 O SER A 49 49.442 36.803 51.552 1.00 0.00 O ATOM 761 CB SER A 49 46.392 35.764 51.518 1.00 0.00 C ATOM 762 OG SER A 49 46.776 35.725 52.876 1.00 0.00 O ATOM 0 H SER A 49 48.357 34.062 51.836 1.00 0.00 H new ATOM 0 HA SER A 49 47.225 35.535 49.573 1.00 0.00 H new ATOM 0 HB2 SER A 49 45.919 36.721 51.298 1.00 0.00 H new ATOM 0 HB3 SER A 49 45.649 34.990 51.325 1.00 0.00 H new ATOM 0 HG SER A 49 45.988 35.858 53.443 1.00 0.00 H new ATOM 768 N SER A 50 48.363 37.720 49.814 1.00 0.00 N ATOM 769 CA SER A 50 49.051 39.027 49.871 1.00 0.00 C ATOM 770 C SER A 50 48.666 39.858 51.087 1.00 0.00 C ATOM 771 O SER A 50 49.265 40.887 51.379 1.00 0.00 O ATOM 772 CB SER A 50 48.728 39.851 48.642 1.00 0.00 C ATOM 773 OG SER A 50 49.785 40.752 48.383 1.00 0.00 O ATOM 0 H SER A 50 47.707 37.642 49.037 1.00 0.00 H new ATOM 0 HA SER A 50 50.114 38.792 49.929 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.576 39.197 47.783 1.00 0.00 H new ATOM 0 HB3 SER A 50 47.798 40.399 48.794 1.00 0.00 H new ATOM 0 HG SER A 50 50.034 41.211 49.212 1.00 0.00 H new ATOM 779 N GLU A 51 47.641 39.408 51.788 1.00 0.00 N ATOM 780 CA GLU A 51 47.266 39.840 53.119 1.00 0.00 C ATOM 781 C GLU A 51 48.404 39.779 54.139 1.00 0.00 C ATOM 782 O GLU A 51 48.619 40.727 54.892 1.00 0.00 O ATOM 783 CB GLU A 51 46.105 38.947 53.537 1.00 0.00 C ATOM 784 CG GLU A 51 44.997 39.793 54.122 1.00 0.00 C ATOM 785 CD GLU A 51 45.058 39.829 55.654 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.880 38.776 56.311 1.00 0.00 O ATOM 787 OE2 GLU A 51 45.408 40.899 56.198 1.00 0.00 O ATOM 0 H GLU A 51 47.014 38.691 51.422 1.00 0.00 H new ATOM 0 HA GLU A 51 46.991 40.895 53.093 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.734 38.389 52.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.442 38.215 54.270 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.069 40.808 53.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.032 39.398 53.806 1.00 0.00 H new ATOM 794 N LYS A 52 49.182 38.696 54.096 1.00 0.00 N ATOM 795 CA LYS A 52 50.401 38.495 54.890 1.00 0.00 C ATOM 796 C LYS A 52 51.609 39.273 54.349 1.00 0.00 C ATOM 797 O LYS A 52 52.696 39.177 54.915 1.00 0.00 O ATOM 798 CB LYS A 52 50.718 36.988 54.962 1.00 0.00 C ATOM 799 CG LYS A 52 49.528 36.069 55.286 1.00 0.00 C ATOM 800 CD LYS A 52 48.812 36.415 56.599 1.00 0.00 C ATOM 801 CE LYS A 52 47.409 36.982 56.370 1.00 0.00 C ATOM 802 NZ LYS A 52 46.604 37.030 57.611 1.00 0.00 N ATOM 0 H LYS A 52 48.975 37.905 53.486 1.00 0.00 H new ATOM 0 HA LYS A 52 50.209 38.889 55.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.142 36.679 54.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.488 36.834 55.717 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.810 36.120 54.468 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.881 35.039 55.337 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.742 35.520 57.218 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.407 37.140 57.154 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.491 37.987 55.955 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.891 36.373 55.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.776 37.642 57.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.286 36.071 57.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.183 37.411 58.386 1.00 0.00 H new ATOM 816 N LYS A 53 51.443 40.004 53.236 1.00 0.00 N ATOM 817 CA LYS A 53 52.541 40.729 52.577 1.00 0.00 C ATOM 818 C LYS A 53 52.893 42.008 53.331 1.00 0.00 C ATOM 819 O LYS A 53 52.023 42.744 53.782 1.00 0.00 O ATOM 820 CB LYS A 53 52.284 41.008 51.086 1.00 0.00 C ATOM 821 CG LYS A 53 53.601 41.193 50.310 1.00 0.00 C ATOM 822 CD LYS A 53 53.408 41.653 48.863 1.00 0.00 C ATOM 823 CE LYS A 53 53.267 43.180 48.807 1.00 0.00 C ATOM 824 NZ LYS A 53 53.275 43.666 47.406 1.00 0.00 N ATOM 0 H LYS A 53 50.543 40.109 52.767 1.00 0.00 H new ATOM 0 HA LYS A 53 53.403 40.063 52.611 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.718 40.183 50.653 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.671 41.903 50.983 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.220 41.922 50.833 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.148 40.250 50.311 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.257 41.336 48.257 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.521 41.183 48.439 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.339 43.481 49.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 54.083 43.644 49.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 53.178 44.701 47.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 54.171 43.398 46.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 52.481 43.240 46.886 1.00 0.00 H new ATOM 838 N TYR A 54 54.177 42.304 53.386 1.00 0.00 N ATOM 839 CA TYR A 54 54.725 43.538 53.946 1.00 0.00 C ATOM 840 C TYR A 54 54.682 44.701 52.938 1.00 0.00 C ATOM 841 O TYR A 54 55.157 44.583 51.805 1.00 0.00 O ATOM 842 CB TYR A 54 56.131 43.278 54.492 1.00 0.00 C ATOM 843 CG TYR A 54 56.207 42.820 55.942 1.00 0.00 C ATOM 844 CD1 TYR A 54 55.203 42.010 56.521 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.298 43.240 56.729 1.00 0.00 C ATOM 846 CE1 TYR A 54 55.264 41.673 57.886 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.373 42.883 58.088 1.00 0.00 C ATOM 848 CZ TYR A 54 56.347 42.114 58.673 1.00 0.00 C ATOM 849 OH TYR A 54 56.394 41.830 60.000 1.00 0.00 O ATOM 0 H TYR A 54 54.897 41.675 53.032 1.00 0.00 H new ATOM 0 HA TYR A 54 54.095 43.854 54.778 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.609 42.523 53.867 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.715 44.193 54.389 1.00 0.00 H new ATOM 0 HD1 TYR A 54 54.386 41.649 55.914 1.00 0.00 H new ATOM 0 HD2 TYR A 54 58.080 43.839 56.287 1.00 0.00 H new ATOM 0 HE1 TYR A 54 54.481 41.077 58.330 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.217 43.198 58.683 1.00 0.00 H new ATOM 0 HH TYR A 54 57.210 42.210 60.387 1.00 0.00 H new ATOM 933 N PRO A 61 59.190 41.450 47.509 1.00 0.00 N ATOM 934 CA PRO A 61 58.047 40.747 48.076 1.00 0.00 C ATOM 935 C PRO A 61 58.455 39.975 49.343 1.00 0.00 C ATOM 936 O PRO A 61 59.469 39.277 49.388 1.00 0.00 O ATOM 937 CB PRO A 61 57.514 39.869 46.943 1.00 0.00 C ATOM 938 CG PRO A 61 58.745 39.592 46.085 1.00 0.00 C ATOM 939 CD PRO A 61 59.557 40.879 46.218 1.00 0.00 C ATOM 0 HA PRO A 61 57.258 41.415 48.421 1.00 0.00 H new ATOM 0 HB2 PRO A 61 57.077 38.946 47.324 1.00 0.00 H new ATOM 0 HB3 PRO A 61 56.737 40.379 46.374 1.00 0.00 H new ATOM 0 HG2 PRO A 61 59.301 38.726 46.445 1.00 0.00 H new ATOM 0 HG3 PRO A 61 58.476 39.390 45.048 1.00 0.00 H new ATOM 0 HD2 PRO A 61 60.626 40.673 46.172 1.00 0.00 H new ATOM 0 HD3 PRO A 61 59.330 41.570 45.406 1.00 0.00 H new ATOM 947 N SER A 62 57.665 40.140 50.401 1.00 0.00 N ATOM 948 CA SER A 62 58.006 39.767 51.777 1.00 0.00 C ATOM 949 C SER A 62 56.727 39.467 52.568 1.00 0.00 C ATOM 950 O SER A 62 55.718 40.131 52.345 1.00 0.00 O ATOM 951 CB SER A 62 58.812 40.908 52.414 1.00 0.00 C ATOM 952 OG SER A 62 58.420 42.198 51.964 1.00 0.00 O ATOM 0 H SER A 62 56.735 40.552 50.324 1.00 0.00 H new ATOM 0 HA SER A 62 58.616 38.864 51.786 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.701 40.860 53.497 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.870 40.761 52.195 1.00 0.00 H new ATOM 0 HG SER A 62 58.968 42.879 52.407 1.00 0.00 H new ATOM 958 N PHE A 63 56.715 38.430 53.412 1.00 0.00 N ATOM 959 CA PHE A 63 55.491 37.712 53.814 1.00 0.00 C ATOM 960 C PHE A 63 55.686 37.039 55.177 1.00 0.00 C ATOM 961 O PHE A 63 56.474 36.104 55.287 1.00 0.00 O ATOM 962 CB PHE A 63 55.173 36.612 52.782 1.00 0.00 C ATOM 963 CG PHE A 63 54.523 37.073 51.491 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.308 37.477 50.395 1.00 0.00 C ATOM 965 CD2 PHE A 63 53.125 37.022 51.360 1.00 0.00 C ATOM 966 CE1 PHE A 63 54.694 37.847 49.183 1.00 0.00 C ATOM 967 CE2 PHE A 63 52.516 37.371 50.145 1.00 0.00 C ATOM 968 CZ PHE A 63 53.297 37.797 49.059 1.00 0.00 C ATOM 0 H PHE A 63 57.562 38.058 53.842 1.00 0.00 H new ATOM 0 HA PHE A 63 54.677 38.434 53.871 1.00 0.00 H new ATOM 0 HB2 PHE A 63 56.101 36.097 52.534 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.518 35.879 53.253 1.00 0.00 H new ATOM 0 HD1 PHE A 63 56.384 37.503 50.484 1.00 0.00 H new ATOM 0 HD2 PHE A 63 52.517 36.713 52.197 1.00 0.00 H new ATOM 0 HE1 PHE A 63 55.299 38.169 48.348 1.00 0.00 H new ATOM 0 HE2 PHE A 63 51.442 37.312 50.045 1.00 0.00 H new ATOM 0 HZ PHE A 63 52.825 38.085 48.132 1.00 0.00 H new ATOM 978 N SER A 64 54.960 37.476 56.203 1.00 0.00 N ATOM 979 CA SER A 64 55.082 36.936 57.574 1.00 0.00 C ATOM 980 C SER A 64 54.430 35.560 57.794 1.00 0.00 C ATOM 981 O SER A 64 54.803 34.856 58.731 1.00 0.00 O ATOM 982 CB SER A 64 54.530 37.941 58.590 1.00 0.00 C ATOM 983 OG SER A 64 53.219 38.351 58.240 1.00 0.00 O ATOM 0 H SER A 64 54.265 38.217 56.117 1.00 0.00 H new ATOM 0 HA SER A 64 56.150 36.780 57.723 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.521 37.492 59.583 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.186 38.810 58.639 1.00 0.00 H new ATOM 0 HG SER A 64 52.888 38.991 58.904 1.00 0.00 H new ATOM 989 N GLU A 65 53.494 35.146 56.932 1.00 0.00 N ATOM 990 CA GLU A 65 52.889 33.807 56.943 1.00 0.00 C ATOM 991 C GLU A 65 52.541 33.341 55.521 1.00 0.00 C ATOM 992 O GLU A 65 52.266 34.145 54.630 1.00 0.00 O ATOM 993 CB GLU A 65 51.610 33.743 57.791 1.00 0.00 C ATOM 994 CG GLU A 65 51.789 34.036 59.284 1.00 0.00 C ATOM 995 CD GLU A 65 50.497 33.791 60.075 1.00 0.00 C ATOM 996 OE1 GLU A 65 50.076 32.619 60.213 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.931 34.770 60.623 1.00 0.00 O ATOM 0 H GLU A 65 53.128 35.744 56.191 1.00 0.00 H new ATOM 0 HA GLU A 65 53.639 33.151 57.384 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.890 34.453 57.384 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.174 32.750 57.684 1.00 0.00 H new ATOM 0 HG2 GLU A 65 52.584 33.407 59.684 1.00 0.00 H new ATOM 0 HG3 GLU A 65 52.104 35.071 59.415 1.00 0.00 H new ATOM 1004 N ALA A 66 52.442 32.025 55.338 1.00 0.00 N ATOM 1005 CA ALA A 66 51.919 31.378 54.127 1.00 0.00 C ATOM 1006 C ALA A 66 50.400 31.113 54.231 1.00 0.00 C ATOM 1007 O ALA A 66 49.895 30.065 53.837 1.00 0.00 O ATOM 1008 CB ALA A 66 52.752 30.122 53.833 1.00 0.00 C ATOM 0 H ALA A 66 52.732 31.354 56.050 1.00 0.00 H new ATOM 0 HA ALA A 66 52.022 32.048 53.273 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.371 29.635 52.935 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.793 30.404 53.679 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.683 29.434 54.676 1.00 0.00 H new ATOM 1162 N GLY A 78 51.254 21.291 52.889 1.00 0.00 N ATOM 1163 CA GLY A 78 51.444 21.262 51.426 1.00 0.00 C ATOM 1164 C GLY A 78 52.893 21.547 50.986 1.00 0.00 C ATOM 1165 O GLY A 78 53.321 21.110 49.923 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.144 20.284 51.048 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.783 21.997 50.968 1.00 0.00 H new ATOM 1169 N ILE A 79 53.672 22.220 51.840 1.00 0.00 N ATOM 1170 CA ILE A 79 55.058 22.659 51.611 1.00 0.00 C ATOM 1171 C ILE A 79 56.045 22.031 52.611 1.00 0.00 C ATOM 1172 O ILE A 79 55.652 21.364 53.572 1.00 0.00 O ATOM 1173 CB ILE A 79 55.138 24.207 51.600 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.801 24.813 52.981 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.246 24.776 50.482 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.989 26.331 53.057 1.00 0.00 C ATOM 0 H ILE A 79 53.335 22.490 52.764 1.00 0.00 H new ATOM 0 HA ILE A 79 55.364 22.299 50.629 1.00 0.00 H new ATOM 0 HB ILE A 79 56.168 24.494 51.388 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.767 24.572 53.230 1.00 0.00 H new ATOM 0 HG13 ILE A 79 55.429 24.341 53.737 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.310 25.864 50.484 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.583 24.394 49.518 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.213 24.473 50.651 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.732 26.680 54.057 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.028 26.580 52.841 1.00 0.00 H new ATOM 0 HD13 ILE A 79 54.341 26.815 52.327 1.00 0.00 H new ATOM 1188 N LEU A 80 57.337 22.273 52.397 1.00 0.00 N ATOM 1189 CA LEU A 80 58.470 21.780 53.179 1.00 0.00 C ATOM 1190 C LEU A 80 59.334 22.961 53.661 1.00 0.00 C ATOM 1191 O LEU A 80 59.032 24.132 53.419 1.00 0.00 O ATOM 1192 CB LEU A 80 59.252 20.746 52.347 1.00 0.00 C ATOM 1193 CG LEU A 80 59.475 19.411 53.067 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.746 18.322 52.041 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.634 19.458 54.067 1.00 0.00 C ATOM 0 H LEU A 80 57.641 22.859 51.619 1.00 0.00 H new ATOM 0 HA LEU A 80 58.124 21.270 54.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.714 20.561 51.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.220 21.168 52.077 1.00 0.00 H new ATOM 0 HG LEU A 80 58.567 19.198 53.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.905 17.372 52.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.892 18.234 51.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.636 18.578 51.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 60.742 18.484 54.544 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.556 19.710 53.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.429 20.213 54.826 1.00 0.00 H new ATOM 1207 N ARG A 81 60.408 22.657 54.385 1.00 0.00 N ATOM 1208 CA ARG A 81 61.258 23.613 55.105 1.00 0.00 C ATOM 1209 C ARG A 81 62.727 23.196 54.984 1.00 0.00 C ATOM 1210 O ARG A 81 63.028 22.001 54.968 1.00 0.00 O ATOM 1211 CB ARG A 81 60.843 23.614 56.579 1.00 0.00 C ATOM 1212 CG ARG A 81 59.387 23.951 56.934 1.00 0.00 C ATOM 1213 CD ARG A 81 59.012 25.420 56.735 1.00 0.00 C ATOM 1214 NE ARG A 81 57.584 25.684 57.028 1.00 0.00 N ATOM 1215 CZ ARG A 81 56.970 25.647 58.204 1.00 0.00 C ATOM 1216 NH1 ARG A 81 57.572 25.370 59.321 1.00 0.00 N ATOM 1217 NH2 ARG A 81 55.692 25.895 58.276 1.00 0.00 N ATOM 0 H ARG A 81 60.728 21.694 54.493 1.00 0.00 H new ATOM 0 HA ARG A 81 61.140 24.610 54.680 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.062 22.627 56.985 1.00 0.00 H new ATOM 0 HB3 ARG A 81 61.484 24.323 57.103 1.00 0.00 H new ATOM 0 HG2 ARG A 81 58.725 23.334 56.326 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.208 23.681 57.975 1.00 0.00 H new ATOM 0 HD2 ARG A 81 59.633 26.041 57.380 1.00 0.00 H new ATOM 0 HD3 ARG A 81 59.229 25.711 55.707 1.00 0.00 H new ATOM 0 HE ARG A 81 57.000 25.924 56.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 58.571 25.166 59.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 57.045 25.357 60.195 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.167 26.117 57.430 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.217 25.867 59.178 1.00 0.00 H new ATOM 1231 N ARG A 82 63.634 24.168 54.927 1.00 0.00 N ATOM 1232 CA ARG A 82 65.075 23.973 54.714 1.00 0.00 C ATOM 1233 C ARG A 82 65.902 24.980 55.517 1.00 0.00 C ATOM 1234 O ARG A 82 66.020 26.138 55.138 1.00 0.00 O ATOM 1235 CB ARG A 82 65.367 24.059 53.204 1.00 0.00 C ATOM 1236 CG ARG A 82 66.717 23.406 52.894 1.00 0.00 C ATOM 1237 CD ARG A 82 66.573 21.895 52.671 1.00 0.00 C ATOM 1238 NE ARG A 82 67.815 21.196 53.036 1.00 0.00 N ATOM 1239 CZ ARG A 82 68.113 20.667 54.206 1.00 0.00 C ATOM 1240 NH1 ARG A 82 67.238 20.564 55.168 1.00 0.00 N ATOM 1241 NH2 ARG A 82 69.321 20.243 54.417 1.00 0.00 N ATOM 0 H ARG A 82 63.382 25.151 55.031 1.00 0.00 H new ATOM 0 HA ARG A 82 65.367 22.987 55.076 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.576 23.562 52.643 1.00 0.00 H new ATOM 0 HB3 ARG A 82 65.376 25.101 52.886 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.149 23.866 52.006 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.408 23.589 53.717 1.00 0.00 H new ATOM 0 HD2 ARG A 82 65.745 21.511 53.267 1.00 0.00 H new ATOM 0 HD3 ARG A 82 66.332 21.698 51.626 1.00 0.00 H new ATOM 0 HE ARG A 82 68.521 21.112 52.305 1.00 0.00 H new ATOM 0 HH11 ARG A 82 66.285 20.899 55.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 67.507 20.148 56.060 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.025 20.321 53.683 1.00 0.00 H new ATOM 0 HH22 ARG A 82 69.567 19.831 55.317 1.00 0.00 H new ATOM 1255 N LEU A 83 66.484 24.563 56.638 1.00 0.00 N ATOM 1256 CA LEU A 83 67.523 25.328 57.314 1.00 0.00 C ATOM 1257 C LEU A 83 68.873 25.181 56.602 1.00 0.00 C ATOM 1258 O LEU A 83 69.187 24.128 56.051 1.00 0.00 O ATOM 1259 CB LEU A 83 67.662 24.940 58.788 1.00 0.00 C ATOM 1260 CG LEU A 83 66.594 25.463 59.756 1.00 0.00 C ATOM 1261 CD1 LEU A 83 65.194 24.902 59.509 1.00 0.00 C ATOM 1262 CD2 LEU A 83 67.007 25.102 61.182 1.00 0.00 C ATOM 0 H LEU A 83 66.248 23.686 57.102 1.00 0.00 H new ATOM 0 HA LEU A 83 67.215 26.373 57.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.671 23.852 58.851 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.634 25.287 59.138 1.00 0.00 H new ATOM 0 HG LEU A 83 66.536 26.540 59.596 1.00 0.00 H new ATOM 0 HD11 LEU A 83 64.500 25.323 60.236 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.869 25.166 58.503 1.00 0.00 H new ATOM 0 HD13 LEU A 83 65.213 23.817 59.612 1.00 0.00 H new ATOM 0 HD21 LEU A 83 66.256 25.468 61.882 1.00 0.00 H new ATOM 0 HD22 LEU A 83 67.091 24.019 61.273 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.969 25.561 61.409 1.00 0.00 H new ATOM 1274 N ASP A 84 69.690 26.228 56.696 1.00 0.00 N ATOM 1275 CA ASP A 84 70.941 26.386 55.933 1.00 0.00 C ATOM 1276 C ASP A 84 72.119 26.862 56.815 1.00 0.00 C ATOM 1277 O ASP A 84 73.042 27.549 56.380 1.00 0.00 O ATOM 1278 CB ASP A 84 70.676 27.291 54.713 1.00 0.00 C ATOM 1279 CG ASP A 84 71.405 26.848 53.442 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.354 26.037 53.506 1.00 0.00 O ATOM 1281 OD2 ASP A 84 70.975 27.279 52.343 1.00 0.00 O ATOM 0 H ASP A 84 69.502 27.014 57.319 1.00 0.00 H new ATOM 0 HA ASP A 84 71.262 25.411 55.566 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.604 27.314 54.516 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.977 28.310 54.956 1.00 0.00 H new ATOM 1286 N THR A 85 72.094 26.498 58.103 1.00 0.00 N ATOM 1287 CA THR A 85 73.068 26.891 59.151 1.00 0.00 C ATOM 1288 C THR A 85 74.435 26.183 59.033 1.00 0.00 C ATOM 1289 O THR A 85 75.092 25.858 60.018 1.00 0.00 O ATOM 1290 CB THR A 85 72.404 26.812 60.542 1.00 0.00 C ATOM 1291 OG1 THR A 85 73.169 27.499 61.502 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.131 25.396 61.051 1.00 0.00 C ATOM 0 H THR A 85 71.361 25.891 58.470 1.00 0.00 H new ATOM 0 HA THR A 85 73.339 27.935 58.991 1.00 0.00 H new ATOM 0 HB THR A 85 71.432 27.284 60.403 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.090 27.163 61.488 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.664 25.447 62.035 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.464 24.883 60.358 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.070 24.848 61.123 1.00 0.00 H new ATOM 1300 N SER A 86 74.873 25.945 57.795 1.00 0.00 N ATOM 1301 CA SER A 86 76.146 25.305 57.423 1.00 0.00 C ATOM 1302 C SER A 86 76.936 26.112 56.377 1.00 0.00 C ATOM 1303 O SER A 86 78.040 25.736 55.987 1.00 0.00 O ATOM 1304 CB SER A 86 75.894 23.857 56.969 1.00 0.00 C ATOM 1305 OG SER A 86 76.851 22.973 57.525 1.00 0.00 O ATOM 0 H SER A 86 74.322 26.206 56.977 1.00 0.00 H new ATOM 0 HA SER A 86 76.779 25.283 58.310 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.892 23.548 57.268 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.933 23.802 55.881 1.00 0.00 H new ATOM 0 HG SER A 86 76.667 22.059 57.222 1.00 0.00 H new ATOM 1311 N LEU A 87 76.414 27.282 55.988 1.00 0.00 N ATOM 1312 CA LEU A 87 77.045 28.266 55.088 1.00 0.00 C ATOM 1313 C LEU A 87 77.971 29.247 55.832 1.00 0.00 C ATOM 1314 O LEU A 87 78.307 30.324 55.340 1.00 0.00 O ATOM 1315 CB LEU A 87 75.963 29.007 54.280 1.00 0.00 C ATOM 1316 CG LEU A 87 75.069 28.140 53.380 1.00 0.00 C ATOM 1317 CD1 LEU A 87 74.088 29.045 52.633 1.00 0.00 C ATOM 1318 CD2 LEU A 87 75.867 27.344 52.348 1.00 0.00 C ATOM 0 H LEU A 87 75.494 27.587 56.306 1.00 0.00 H new ATOM 0 HA LEU A 87 77.687 27.719 54.398 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.324 29.546 54.979 1.00 0.00 H new ATOM 0 HB3 LEU A 87 76.454 29.754 53.656 1.00 0.00 H new ATOM 0 HG LEU A 87 74.552 27.430 54.026 1.00 0.00 H new ATOM 0 HD11 LEU A 87 73.449 28.438 51.991 1.00 0.00 H new ATOM 0 HD12 LEU A 87 73.472 29.585 53.352 1.00 0.00 H new ATOM 0 HD13 LEU A 87 74.643 29.758 52.023 1.00 0.00 H new ATOM 0 HD21 LEU A 87 75.185 26.750 51.740 1.00 0.00 H new ATOM 0 HD22 LEU A 87 76.420 28.031 51.707 1.00 0.00 H new ATOM 0 HD23 LEU A 87 76.566 26.683 52.860 1.00 0.00 H new ATOM 1330 N GLY A 88 78.319 28.899 57.072 1.00 0.00 N ATOM 1331 CA GLY A 88 79.079 29.751 58.002 1.00 0.00 C ATOM 1332 C GLY A 88 78.242 30.835 58.697 1.00 0.00 C ATOM 1333 O GLY A 88 78.753 31.563 59.548 1.00 0.00 O ATOM 0 H GLY A 88 78.076 27.993 57.473 1.00 0.00 H new ATOM 0 HA2 GLY A 88 79.537 29.119 58.763 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.891 30.231 57.455 1.00 0.00 H new ATOM 1337 N CYS A 89 76.964 30.928 58.332 1.00 0.00 N ATOM 1338 CA CYS A 89 75.930 31.796 58.894 1.00 0.00 C ATOM 1339 C CYS A 89 74.586 31.038 58.978 1.00 0.00 C ATOM 1340 O CYS A 89 74.274 30.294 58.044 1.00 0.00 O ATOM 1341 CB CYS A 89 75.799 33.009 57.969 1.00 0.00 C ATOM 1342 SG CYS A 89 74.777 34.286 58.752 1.00 0.00 S ATOM 0 H CYS A 89 76.596 30.352 57.575 1.00 0.00 H new ATOM 0 HA CYS A 89 76.198 32.111 59.902 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.786 33.411 57.743 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.353 32.706 57.021 1.00 0.00 H new ATOM 0 HG CYS A 89 74.677 35.310 57.957 1.00 0.00 H new ATOM 1348 N PRO A 90 73.767 31.208 60.035 1.00 0.00 N ATOM 1349 CA PRO A 90 72.407 30.679 60.075 1.00 0.00 C ATOM 1350 C PRO A 90 71.455 31.420 59.125 1.00 0.00 C ATOM 1351 O PRO A 90 71.315 32.639 59.182 1.00 0.00 O ATOM 1352 CB PRO A 90 71.950 30.806 61.529 1.00 0.00 C ATOM 1353 CG PRO A 90 72.777 31.979 62.059 1.00 0.00 C ATOM 1354 CD PRO A 90 74.100 31.824 61.309 1.00 0.00 C ATOM 0 HA PRO A 90 72.393 29.643 59.735 1.00 0.00 H new ATOM 0 HB2 PRO A 90 70.880 31.005 61.598 1.00 0.00 H new ATOM 0 HB3 PRO A 90 72.142 29.892 62.092 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.302 32.937 61.848 1.00 0.00 H new ATOM 0 HG3 PRO A 90 72.915 31.922 63.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.581 32.791 61.161 1.00 0.00 H new ATOM 0 HD3 PRO A 90 74.798 31.204 61.872 1.00 0.00 H new ATOM 1362 N ARG A 91 70.738 30.644 58.308 1.00 0.00 N ATOM 1363 CA ARG A 91 69.595 31.028 57.454 1.00 0.00 C ATOM 1364 C ARG A 91 68.540 29.916 57.523 1.00 0.00 C ATOM 1365 O ARG A 91 68.855 28.776 57.883 1.00 0.00 O ATOM 1366 CB ARG A 91 70.037 31.234 55.996 1.00 0.00 C ATOM 1367 CG ARG A 91 71.031 32.383 55.767 1.00 0.00 C ATOM 1368 CD ARG A 91 70.454 33.725 56.234 1.00 0.00 C ATOM 1369 NE ARG A 91 71.222 34.868 55.701 1.00 0.00 N ATOM 1370 CZ ARG A 91 70.987 35.591 54.621 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.004 35.358 53.797 1.00 0.00 N ATOM 1372 NH2 ARG A 91 71.785 36.573 54.348 1.00 0.00 N ATOM 0 H ARG A 91 70.953 29.651 58.214 1.00 0.00 H new ATOM 0 HA ARG A 91 69.181 31.970 57.814 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.487 30.309 55.636 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.151 31.415 55.387 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.957 32.177 56.304 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.283 32.442 54.708 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.415 33.805 55.914 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.456 33.762 57.323 1.00 0.00 H new ATOM 0 HE ARG A 91 72.046 35.135 56.240 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.366 34.582 53.971 1.00 0.00 H new ATOM 0 HH12 ARG A 91 69.873 35.952 52.978 1.00 0.00 H new ATOM 0 HH21 ARG A 91 72.575 36.774 54.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 71.624 37.146 53.519 1.00 0.00 H new ATOM 1386 N MET A 92 67.298 30.240 57.185 1.00 0.00 N ATOM 1387 CA MET A 92 66.142 29.359 57.263 1.00 0.00 C ATOM 1388 C MET A 92 65.200 29.617 56.086 1.00 0.00 C ATOM 1389 O MET A 92 64.929 30.760 55.737 1.00 0.00 O ATOM 1390 CB MET A 92 65.473 29.583 58.604 1.00 0.00 C ATOM 1391 CG MET A 92 64.336 28.602 58.892 1.00 0.00 C ATOM 1392 SD MET A 92 63.495 28.840 60.483 1.00 0.00 S ATOM 1393 CE MET A 92 64.836 28.575 61.677 1.00 0.00 C ATOM 0 H MET A 92 67.060 31.167 56.833 1.00 0.00 H new ATOM 0 HA MET A 92 66.441 28.313 57.193 1.00 0.00 H new ATOM 0 HB2 MET A 92 66.221 29.501 59.392 1.00 0.00 H new ATOM 0 HB3 MET A 92 65.082 30.600 58.640 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.598 28.681 58.094 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.735 27.588 58.858 1.00 0.00 H new ATOM 0 HE1 MET A 92 64.421 28.516 62.683 1.00 0.00 H new ATOM 0 HE2 MET A 92 65.353 27.644 61.443 1.00 0.00 H new ATOM 0 HE3 MET A 92 65.540 29.405 61.623 1.00 0.00 H new ATOM 1403 N GLU A 93 64.721 28.559 55.449 1.00 0.00 N ATOM 1404 CA GLU A 93 63.964 28.656 54.194 1.00 0.00 C ATOM 1405 C GLU A 93 62.760 27.702 54.125 1.00 0.00 C ATOM 1406 O GLU A 93 62.611 26.784 54.938 1.00 0.00 O ATOM 1407 CB GLU A 93 64.894 28.467 52.981 1.00 0.00 C ATOM 1408 CG GLU A 93 66.276 29.141 53.065 1.00 0.00 C ATOM 1409 CD GLU A 93 67.001 29.085 51.718 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.298 27.967 51.226 1.00 0.00 O ATOM 1411 OE2 GLU A 93 67.284 30.156 51.135 1.00 0.00 O ATOM 0 H GLU A 93 64.843 27.603 55.783 1.00 0.00 H new ATOM 0 HA GLU A 93 63.546 29.662 54.167 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.044 27.398 52.829 1.00 0.00 H new ATOM 0 HB3 GLU A 93 64.382 28.846 52.096 1.00 0.00 H new ATOM 0 HG2 GLU A 93 66.159 30.179 53.375 1.00 0.00 H new ATOM 0 HG3 GLU A 93 66.879 28.647 53.827 1.00 0.00 H new ATOM 1418 N VAL A 94 61.874 27.925 53.150 1.00 0.00 N ATOM 1419 CA VAL A 94 60.680 27.117 52.869 1.00 0.00 C ATOM 1420 C VAL A 94 60.635 26.715 51.392 1.00 0.00 C ATOM 1421 O VAL A 94 60.945 27.523 50.508 1.00 0.00 O ATOM 1422 CB VAL A 94 59.372 27.795 53.337 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.494 28.393 54.747 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.836 28.906 52.426 1.00 0.00 C ATOM 0 H VAL A 94 61.973 28.709 52.505 1.00 0.00 H new ATOM 0 HA VAL A 94 60.759 26.205 53.460 1.00 0.00 H new ATOM 0 HB VAL A 94 58.665 26.966 53.311 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.549 28.857 55.028 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.736 27.603 55.458 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.284 29.144 54.757 1.00 0.00 H new ATOM 0 HG21 VAL A 94 57.917 29.311 52.849 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.579 29.700 52.344 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.631 28.498 51.436 1.00 0.00 H new ATOM 1434 N VAL A 95 60.261 25.463 51.112 1.00 0.00 N ATOM 1435 CA VAL A 95 60.264 24.931 49.733 1.00 0.00 C ATOM 1436 C VAL A 95 58.930 24.286 49.359 1.00 0.00 C ATOM 1437 O VAL A 95 58.273 23.664 50.190 1.00 0.00 O ATOM 1438 CB VAL A 95 61.474 24.011 49.441 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.800 24.596 49.956 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.357 22.614 50.049 1.00 0.00 C ATOM 0 H VAL A 95 59.951 24.794 51.817 1.00 0.00 H new ATOM 0 HA VAL A 95 60.386 25.793 49.077 1.00 0.00 H new ATOM 0 HB VAL A 95 61.470 23.940 48.353 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.615 23.910 49.724 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.986 25.556 49.474 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.740 24.738 51.035 1.00 0.00 H new ATOM 0 HG21 VAL A 95 62.244 22.033 49.798 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.270 22.695 51.133 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.473 22.117 49.650 1.00 0.00 H new ATOM 1450 N CYS A 96 58.537 24.404 48.096 1.00 0.00 N ATOM 1451 CA CYS A 96 57.366 23.792 47.531 1.00 0.00 C ATOM 1452 C CYS A 96 57.694 22.315 47.274 1.00 0.00 C ATOM 1453 O CYS A 96 58.399 21.945 46.340 1.00 0.00 O ATOM 1454 CB CYS A 96 56.968 24.608 46.297 1.00 0.00 C ATOM 1455 SG CYS A 96 55.413 23.972 45.612 1.00 0.00 S ATOM 0 H CYS A 96 59.058 24.957 47.416 1.00 0.00 H new ATOM 0 HA CYS A 96 56.496 23.796 48.187 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.855 25.658 46.566 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.756 24.555 45.545 1.00 0.00 H new ATOM 0 HG CYS A 96 55.308 24.332 44.367 1.00 0.00 H new ATOM 1460 N LYS A 97 57.177 21.475 48.160 1.00 0.00 N ATOM 1461 CA LYS A 97 57.109 20.006 48.031 1.00 0.00 C ATOM 1462 C LYS A 97 56.355 19.557 46.760 1.00 0.00 C ATOM 1463 O LYS A 97 56.456 18.405 46.341 1.00 0.00 O ATOM 1464 CB LYS A 97 56.483 19.474 49.342 1.00 0.00 C ATOM 1465 CG LYS A 97 56.116 17.986 49.383 1.00 0.00 C ATOM 1466 CD LYS A 97 54.665 17.762 48.936 1.00 0.00 C ATOM 1467 CE LYS A 97 54.372 16.272 48.806 1.00 0.00 C ATOM 1468 NZ LYS A 97 53.239 16.048 47.883 1.00 0.00 N ATOM 0 H LYS A 97 56.771 21.805 49.035 1.00 0.00 H new ATOM 0 HA LYS A 97 58.105 19.582 47.899 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.180 19.674 50.156 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.581 20.051 49.546 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.790 17.424 48.736 1.00 0.00 H new ATOM 0 HG3 LYS A 97 56.252 17.603 50.394 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.982 18.212 49.657 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.492 18.258 47.981 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.257 15.752 48.439 1.00 0.00 H new ATOM 0 HE3 LYS A 97 54.140 15.854 49.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 53.051 15.028 47.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 52.393 16.529 48.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 53.475 16.430 46.945 1.00 0.00 H new ATOM 1482 N GLN A 98 55.563 20.449 46.170 1.00 0.00 N ATOM 1483 CA GLN A 98 54.589 20.162 45.131 1.00 0.00 C ATOM 1484 C GLN A 98 55.159 20.284 43.716 1.00 0.00 C ATOM 1485 O GLN A 98 54.842 19.480 42.839 1.00 0.00 O ATOM 1486 CB GLN A 98 53.352 21.021 45.342 1.00 0.00 C ATOM 1487 CG GLN A 98 52.913 20.957 46.808 1.00 0.00 C ATOM 1488 CD GLN A 98 51.437 21.183 46.987 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.735 20.393 47.602 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.907 22.251 46.451 1.00 0.00 N ATOM 0 H GLN A 98 55.588 21.438 46.419 1.00 0.00 H new ATOM 0 HA GLN A 98 54.303 19.114 45.219 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.564 22.053 45.062 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.545 20.675 44.697 1.00 0.00 H new ATOM 0 HG2 GLN A 98 53.179 19.983 47.220 1.00 0.00 H new ATOM 0 HG3 GLN A 98 53.462 21.705 47.380 1.00 0.00 H new ATOM 0 HE21 GLN A 98 51.494 22.909 45.938 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.907 22.426 46.546 1.00 0.00 H new ATOM 1499 N CYS A 99 56.032 21.269 43.525 1.00 0.00 N ATOM 1500 CA CYS A 99 56.769 21.554 42.298 1.00 0.00 C ATOM 1501 C CYS A 99 58.316 21.526 42.453 1.00 0.00 C ATOM 1502 O CYS A 99 59.053 21.736 41.484 1.00 0.00 O ATOM 1503 CB CYS A 99 56.211 22.877 41.776 1.00 0.00 C ATOM 1504 SG CYS A 99 56.230 24.188 43.033 1.00 0.00 S ATOM 0 H CYS A 99 56.257 21.930 44.269 1.00 0.00 H new ATOM 0 HA CYS A 99 56.617 20.759 41.568 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.794 23.198 40.913 1.00 0.00 H new ATOM 0 HB3 CYS A 99 55.188 22.725 41.431 1.00 0.00 H new ATOM 0 HG CYS A 99 56.094 23.660 44.213 1.00 0.00 H new ATOM 1509 N GLU A 100 58.794 21.212 43.658 1.00 0.00 N ATOM 1510 CA GLU A 100 60.199 21.052 44.048 1.00 0.00 C ATOM 1511 C GLU A 100 61.039 22.326 43.836 1.00 0.00 C ATOM 1512 O GLU A 100 62.032 22.348 43.101 1.00 0.00 O ATOM 1513 CB GLU A 100 60.755 19.733 43.486 1.00 0.00 C ATOM 1514 CG GLU A 100 61.613 19.017 44.523 1.00 0.00 C ATOM 1515 CD GLU A 100 62.013 17.623 44.039 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.152 16.718 43.982 1.00 0.00 O ATOM 1517 OE2 GLU A 100 63.200 17.418 43.699 1.00 0.00 O ATOM 0 H GLU A 100 58.165 21.051 44.445 1.00 0.00 H new ATOM 0 HA GLU A 100 60.271 20.942 45.130 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.931 19.087 43.181 1.00 0.00 H new ATOM 0 HB3 GLU A 100 61.348 19.935 42.594 1.00 0.00 H new ATOM 0 HG2 GLU A 100 62.508 19.605 44.728 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.063 18.936 45.461 1.00 0.00 H new ATOM 1524 N ALA A 101 60.610 23.420 44.478 1.00 0.00 N ATOM 1525 CA ALA A 101 61.211 24.749 44.355 1.00 0.00 C ATOM 1526 C ALA A 101 61.416 25.459 45.702 1.00 0.00 C ATOM 1527 O ALA A 101 60.490 25.602 46.493 1.00 0.00 O ATOM 1528 CB ALA A 101 60.347 25.588 43.403 1.00 0.00 C ATOM 0 H ALA A 101 59.813 23.402 45.114 1.00 0.00 H new ATOM 0 HA ALA A 101 62.215 24.629 43.948 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.781 26.583 43.299 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.308 25.106 42.426 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.338 25.672 43.806 1.00 0.00 H new ATOM 1534 N HIS A 102 62.623 25.971 45.952 1.00 0.00 N ATOM 1535 CA HIS A 102 62.882 26.940 47.013 1.00 0.00 C ATOM 1536 C HIS A 102 62.382 28.333 46.599 1.00 0.00 C ATOM 1537 O HIS A 102 62.833 28.891 45.598 1.00 0.00 O ATOM 1538 CB HIS A 102 64.362 26.890 47.436 1.00 0.00 C ATOM 1539 CG HIS A 102 65.420 27.351 46.452 1.00 0.00 C ATOM 1540 ND1 HIS A 102 66.575 28.033 46.778 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.491 27.093 45.105 1.00 0.00 C ATOM 1542 CE1 HIS A 102 67.306 28.185 45.663 1.00 0.00 C ATOM 1543 NE2 HIS A 102 66.693 27.612 44.614 1.00 0.00 N ATOM 0 H HIS A 102 63.455 25.721 45.417 1.00 0.00 H new ATOM 0 HA HIS A 102 62.314 26.680 47.906 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.467 27.491 48.339 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.592 25.860 47.710 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.743 26.576 44.522 1.00 0.00 H new ATOM 0 HE1 HIS A 102 68.256 28.697 45.616 1.00 0.00 H new ATOM 0 HE2 HIS A 102 67.035 27.565 43.654 1.00 0.00 H new ATOM 1551 N LEU A 103 61.397 28.867 47.333 1.00 0.00 N ATOM 1552 CA LEU A 103 60.665 30.079 46.924 1.00 0.00 C ATOM 1553 C LEU A 103 60.749 31.242 47.902 1.00 0.00 C ATOM 1554 O LEU A 103 60.807 32.410 47.514 1.00 0.00 O ATOM 1555 CB LEU A 103 59.194 29.727 46.628 1.00 0.00 C ATOM 1556 CG LEU A 103 58.954 28.772 45.451 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.459 28.483 45.315 1.00 0.00 C ATOM 1558 CD2 LEU A 103 59.453 29.336 44.122 1.00 0.00 C ATOM 0 H LEU A 103 61.085 28.476 48.222 1.00 0.00 H new ATOM 0 HA LEU A 103 61.164 30.434 46.022 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.760 29.284 47.524 1.00 0.00 H new ATOM 0 HB3 LEU A 103 58.651 30.653 46.435 1.00 0.00 H new ATOM 0 HG LEU A 103 59.515 27.863 45.669 1.00 0.00 H new ATOM 0 HD11 LEU A 103 57.294 27.805 44.478 1.00 0.00 H new ATOM 0 HD12 LEU A 103 57.092 28.023 46.233 1.00 0.00 H new ATOM 0 HD13 LEU A 103 56.923 29.415 45.137 1.00 0.00 H new ATOM 0 HD21 LEU A 103 59.257 28.618 43.326 1.00 0.00 H new ATOM 0 HD22 LEU A 103 58.934 30.269 43.905 1.00 0.00 H new ATOM 0 HD23 LEU A 103 60.525 29.523 44.186 1.00 0.00 H new ATOM 1570 N GLY A 104 60.750 30.878 49.165 1.00 0.00 N ATOM 1571 CA GLY A 104 60.543 31.702 50.333 1.00 0.00 C ATOM 1572 C GLY A 104 61.549 31.394 51.427 1.00 0.00 C ATOM 1573 O GLY A 104 62.007 30.266 51.588 1.00 0.00 O ATOM 0 H GLY A 104 60.911 29.905 49.423 1.00 0.00 H new ATOM 0 HA2 GLY A 104 60.620 32.753 50.054 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.534 31.546 50.713 1.00 0.00 H new ATOM 1577 N HIS A 105 61.916 32.427 52.163 1.00 0.00 N ATOM 1578 CA HIS A 105 63.074 32.414 53.034 1.00 0.00 C ATOM 1579 C HIS A 105 62.945 33.433 54.165 1.00 0.00 C ATOM 1580 O HIS A 105 62.180 34.392 54.077 1.00 0.00 O ATOM 1581 CB HIS A 105 64.367 32.612 52.219 1.00 0.00 C ATOM 1582 CG HIS A 105 64.243 32.815 50.723 1.00 0.00 C ATOM 1583 ND1 HIS A 105 63.534 33.802 50.079 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.795 32.027 49.754 1.00 0.00 C ATOM 1585 CE1 HIS A 105 63.635 33.608 48.758 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.427 32.556 48.506 1.00 0.00 N ATOM 0 H HIS A 105 61.409 33.312 52.172 1.00 0.00 H new ATOM 0 HA HIS A 105 63.128 31.434 53.509 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.892 33.474 52.630 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.003 31.743 52.386 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.406 31.152 49.918 1.00 0.00 H new ATOM 0 HE1 HIS A 105 63.149 34.211 48.005 1.00 0.00 H new ATOM 0 HE2 HIS A 105 64.707 32.208 47.589 1.00 0.00 H new ATOM 1594 N VAL A 106 63.699 33.214 55.236 1.00 0.00 N ATOM 1595 CA VAL A 106 63.702 34.058 56.434 1.00 0.00 C ATOM 1596 C VAL A 106 65.111 34.199 57.016 1.00 0.00 C ATOM 1597 O VAL A 106 65.926 33.271 57.023 1.00 0.00 O ATOM 1598 CB VAL A 106 62.645 33.586 57.457 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.988 32.283 58.177 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.377 34.648 58.523 1.00 0.00 C ATOM 0 H VAL A 106 64.343 32.426 55.301 1.00 0.00 H new ATOM 0 HA VAL A 106 63.403 35.066 56.147 1.00 0.00 H new ATOM 0 HB VAL A 106 61.760 33.408 56.846 1.00 0.00 H new ATOM 0 HG11 VAL A 106 62.189 32.031 58.874 1.00 0.00 H new ATOM 0 HG12 VAL A 106 63.098 31.482 57.446 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.922 32.405 58.725 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.628 34.279 59.224 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.300 34.866 59.060 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.011 35.557 58.047 1.00 0.00 H new ATOM 1610 N PHE A 107 65.408 35.419 57.449 1.00 0.00 N ATOM 1611 CA PHE A 107 66.692 35.796 58.062 1.00 0.00 C ATOM 1612 C PHE A 107 66.557 36.890 59.145 1.00 0.00 C ATOM 1613 O PHE A 107 65.681 37.748 59.027 1.00 0.00 O ATOM 1614 CB PHE A 107 67.667 36.245 56.957 1.00 0.00 C ATOM 1615 CG PHE A 107 67.270 37.514 56.216 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.369 37.455 55.135 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.800 38.760 56.607 1.00 0.00 C ATOM 1618 CE1 PHE A 107 65.999 38.629 54.456 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.423 39.936 55.933 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.524 39.871 54.855 1.00 0.00 C ATOM 0 H PHE A 107 64.752 36.197 57.385 1.00 0.00 H new ATOM 0 HA PHE A 107 67.079 34.916 58.575 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.650 36.396 57.402 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.766 35.437 56.232 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.961 36.504 54.826 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.499 38.812 57.428 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.310 38.577 53.626 1.00 0.00 H new ATOM 0 HE2 PHE A 107 67.825 40.889 56.244 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.237 40.773 54.334 1.00 0.00 H new ATOM 1630 N PRO A 108 67.428 36.933 60.176 1.00 0.00 N ATOM 1631 CA PRO A 108 67.511 38.057 61.114 1.00 0.00 C ATOM 1632 C PRO A 108 68.174 39.273 60.454 1.00 0.00 C ATOM 1633 O PRO A 108 69.228 39.151 59.827 1.00 0.00 O ATOM 1634 CB PRO A 108 68.318 37.532 62.304 1.00 0.00 C ATOM 1635 CG PRO A 108 69.258 36.515 61.655 1.00 0.00 C ATOM 1636 CD PRO A 108 68.417 35.920 60.522 1.00 0.00 C ATOM 0 HA PRO A 108 66.527 38.402 61.433 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.868 38.330 62.803 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.677 37.069 63.054 1.00 0.00 H new ATOM 0 HG2 PRO A 108 70.163 36.990 61.276 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.573 35.750 62.365 1.00 0.00 H new ATOM 0 HD2 PRO A 108 69.040 35.674 59.662 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.934 34.996 60.840 1.00 0.00 H new ATOM 1644 N ASP A 109 67.600 40.466 60.616 1.00 0.00 N ATOM 1645 CA ASP A 109 68.070 41.680 59.922 1.00 0.00 C ATOM 1646 C ASP A 109 69.184 42.463 60.647 1.00 0.00 C ATOM 1647 O ASP A 109 69.550 43.565 60.231 1.00 0.00 O ATOM 1648 CB ASP A 109 66.870 42.545 59.527 1.00 0.00 C ATOM 1649 CG ASP A 109 66.410 43.544 60.593 1.00 0.00 C ATOM 1650 OD1 ASP A 109 66.554 43.291 61.804 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.964 44.652 60.194 1.00 0.00 O ATOM 0 H ASP A 109 66.799 40.624 61.228 1.00 0.00 H new ATOM 0 HA ASP A 109 68.575 41.348 59.015 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.121 43.095 58.620 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.035 41.889 59.281 1.00 0.00 H new ATOM 1656 N GLY A 110 69.707 41.881 61.729 1.00 0.00 N ATOM 1657 CA GLY A 110 70.731 42.455 62.606 1.00 0.00 C ATOM 1658 C GLY A 110 70.656 41.994 64.074 1.00 0.00 C ATOM 1659 O GLY A 110 71.692 41.586 64.614 1.00 0.00 O ATOM 0 H GLY A 110 69.414 40.952 62.032 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.714 42.200 62.209 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.648 43.541 62.576 1.00 0.00 H new ATOM 1663 N PRO A 111 69.486 42.046 64.745 1.00 0.00 N ATOM 1664 CA PRO A 111 69.334 41.759 66.174 1.00 0.00 C ATOM 1665 C PRO A 111 68.915 40.292 66.432 1.00 0.00 C ATOM 1666 O PRO A 111 69.177 39.396 65.628 1.00 0.00 O ATOM 1667 CB PRO A 111 68.295 42.802 66.617 1.00 0.00 C ATOM 1668 CG PRO A 111 67.318 42.811 65.446 1.00 0.00 C ATOM 1669 CD PRO A 111 68.240 42.617 64.243 1.00 0.00 C ATOM 0 HA PRO A 111 70.259 41.840 66.745 1.00 0.00 H new ATOM 0 HB2 PRO A 111 67.808 42.519 67.550 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.746 43.781 66.777 1.00 0.00 H new ATOM 0 HG2 PRO A 111 66.582 42.011 65.526 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.765 43.748 65.386 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.781 41.955 63.509 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.426 43.567 63.743 1.00 0.00 H new ATOM 1677 N LYS A 112 68.262 40.049 67.578 1.00 0.00 N ATOM 1678 CA LYS A 112 67.590 38.787 67.957 1.00 0.00 C ATOM 1679 C LYS A 112 66.585 38.317 66.891 1.00 0.00 C ATOM 1680 O LYS A 112 66.071 39.146 66.140 1.00 0.00 O ATOM 1681 CB LYS A 112 66.917 38.981 69.333 1.00 0.00 C ATOM 1682 CG LYS A 112 67.799 38.577 70.532 1.00 0.00 C ATOM 1683 CD LYS A 112 69.190 39.212 70.638 1.00 0.00 C ATOM 1684 CE LYS A 112 69.030 40.705 70.912 1.00 0.00 C ATOM 1685 NZ LYS A 112 68.843 41.016 72.345 1.00 0.00 N ATOM 0 H LYS A 112 68.181 40.760 68.305 1.00 0.00 H new ATOM 0 HA LYS A 112 68.336 37.995 68.025 1.00 0.00 H new ATOM 0 HB2 LYS A 112 66.633 40.028 69.442 1.00 0.00 H new ATOM 0 HB3 LYS A 112 65.997 38.397 69.360 1.00 0.00 H new ATOM 0 HG2 LYS A 112 67.252 38.812 71.445 1.00 0.00 H new ATOM 0 HG3 LYS A 112 67.925 37.495 70.506 1.00 0.00 H new ATOM 0 HD2 LYS A 112 69.760 38.740 71.438 1.00 0.00 H new ATOM 0 HD3 LYS A 112 69.748 39.055 69.715 1.00 0.00 H new ATOM 0 HE2 LYS A 112 69.910 41.232 70.544 1.00 0.00 H new ATOM 0 HE3 LYS A 112 68.175 41.082 70.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 68.740 42.044 72.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 67.988 40.539 72.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 69.669 40.685 72.883 1.00 0.00 H new ATOM 1699 N PRO A 113 66.236 37.013 66.850 1.00 0.00 N ATOM 1700 CA PRO A 113 65.318 36.454 65.851 1.00 0.00 C ATOM 1701 C PRO A 113 63.895 37.030 65.915 1.00 0.00 C ATOM 1702 O PRO A 113 63.116 36.833 64.990 1.00 0.00 O ATOM 1703 CB PRO A 113 65.319 34.939 66.089 1.00 0.00 C ATOM 1704 CG PRO A 113 65.658 34.825 67.573 1.00 0.00 C ATOM 1705 CD PRO A 113 66.670 35.954 67.755 1.00 0.00 C ATOM 0 HA PRO A 113 65.660 36.719 64.850 1.00 0.00 H new ATOM 0 HB2 PRO A 113 64.350 34.494 65.861 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.057 34.433 65.466 1.00 0.00 H new ATOM 0 HG2 PRO A 113 64.779 34.959 68.204 1.00 0.00 H new ATOM 0 HG3 PRO A 113 66.083 33.852 67.821 1.00 0.00 H new ATOM 0 HD2 PRO A 113 66.688 36.303 68.788 1.00 0.00 H new ATOM 0 HD3 PRO A 113 67.679 35.620 67.514 1.00 0.00 H new ATOM 1713 N THR A 114 63.557 37.818 66.937 1.00 0.00 N ATOM 1714 CA THR A 114 62.313 38.616 66.912 1.00 0.00 C ATOM 1715 C THR A 114 62.320 39.672 65.792 1.00 0.00 C ATOM 1716 O THR A 114 61.260 40.037 65.283 1.00 0.00 O ATOM 1717 CB THR A 114 62.050 39.262 68.278 1.00 0.00 C ATOM 1718 OG1 THR A 114 63.223 39.863 68.784 1.00 0.00 O ATOM 1719 CG2 THR A 114 61.606 38.211 69.299 1.00 0.00 C ATOM 0 H THR A 114 64.113 37.926 67.785 1.00 0.00 H new ATOM 0 HA THR A 114 61.496 37.929 66.694 1.00 0.00 H new ATOM 0 HB THR A 114 61.270 40.009 68.131 1.00 0.00 H new ATOM 0 HG1 THR A 114 63.032 40.270 69.655 1.00 0.00 H new ATOM 0 HG21 THR A 114 61.425 38.691 70.261 1.00 0.00 H new ATOM 0 HG22 THR A 114 60.689 37.733 68.954 1.00 0.00 H new ATOM 0 HG23 THR A 114 62.387 37.459 69.410 1.00 0.00 H new ATOM 1727 N GLY A 115 63.509 40.091 65.342 1.00 0.00 N ATOM 1728 CA GLY A 115 63.785 40.907 64.156 1.00 0.00 C ATOM 1729 C GLY A 115 64.008 40.137 62.851 1.00 0.00 C ATOM 1730 O GLY A 115 64.643 40.644 61.928 1.00 0.00 O ATOM 0 H GLY A 115 64.368 39.849 65.836 1.00 0.00 H new ATOM 0 HA2 GLY A 115 62.953 41.596 64.011 1.00 0.00 H new ATOM 0 HA3 GLY A 115 64.669 41.513 64.353 1.00 0.00 H new ATOM 1734 N GLN A 116 63.547 38.892 62.764 1.00 0.00 N ATOM 1735 CA GLN A 116 63.531 38.162 61.497 1.00 0.00 C ATOM 1736 C GLN A 116 62.612 38.823 60.456 1.00 0.00 C ATOM 1737 O GLN A 116 61.471 39.189 60.749 1.00 0.00 O ATOM 1738 CB GLN A 116 63.183 36.684 61.699 1.00 0.00 C ATOM 1739 CG GLN A 116 64.381 35.845 62.172 1.00 0.00 C ATOM 1740 CD GLN A 116 64.450 34.497 61.480 1.00 0.00 C ATOM 1741 OE1 GLN A 116 65.340 34.222 60.692 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.514 33.615 61.737 1.00 0.00 N ATOM 0 H GLN A 116 63.179 38.366 63.556 1.00 0.00 H new ATOM 0 HA GLN A 116 64.544 38.207 61.097 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.378 36.602 62.429 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.806 36.274 60.762 1.00 0.00 H new ATOM 0 HG2 GLN A 116 65.303 36.395 61.984 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.313 35.695 63.249 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.768 33.840 62.395 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.532 32.704 61.279 1.00 0.00 H new ATOM 1751 N ARG A 117 63.115 38.927 59.222 1.00 0.00 N ATOM 1752 CA ARG A 117 62.411 39.359 58.016 1.00 0.00 C ATOM 1753 C ARG A 117 62.283 38.169 57.080 1.00 0.00 C ATOM 1754 O ARG A 117 63.225 37.402 56.889 1.00 0.00 O ATOM 1755 CB ARG A 117 63.180 40.471 57.292 1.00 0.00 C ATOM 1756 CG ARG A 117 63.311 41.770 58.094 1.00 0.00 C ATOM 1757 CD ARG A 117 64.060 42.789 57.228 1.00 0.00 C ATOM 1758 NE ARG A 117 64.325 44.040 57.955 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.174 45.273 57.519 1.00 0.00 C ATOM 1760 NH1 ARG A 117 63.780 45.577 56.319 1.00 0.00 N ATOM 1761 NH2 ARG A 117 64.432 46.251 58.330 1.00 0.00 N ATOM 0 H ARG A 117 64.090 38.696 59.029 1.00 0.00 H new ATOM 0 HA ARG A 117 61.432 39.744 58.302 1.00 0.00 H new ATOM 0 HB2 ARG A 117 64.178 40.107 57.047 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.679 40.689 56.349 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.326 42.151 58.365 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.851 41.591 59.024 1.00 0.00 H new ATOM 0 HD2 ARG A 117 65.003 42.357 56.894 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.474 43.006 56.335 1.00 0.00 H new ATOM 0 HE ARG A 117 64.666 43.940 58.911 1.00 0.00 H new ATOM 0 HH11 ARG A 117 63.567 44.838 55.650 1.00 0.00 H new ATOM 0 HH12 ARG A 117 63.684 46.555 56.046 1.00 0.00 H new ATOM 0 HH21 ARG A 117 64.744 46.056 59.281 1.00 0.00 H new ATOM 0 HH22 ARG A 117 64.323 47.216 58.017 1.00 0.00 H new ATOM 1775 N PHE A 118 61.117 38.059 56.469 1.00 0.00 N ATOM 1776 CA PHE A 118 60.779 37.007 55.526 1.00 0.00 C ATOM 1777 C PHE A 118 60.748 37.594 54.112 1.00 0.00 C ATOM 1778 O PHE A 118 60.067 38.591 53.872 1.00 0.00 O ATOM 1779 CB PHE A 118 59.422 36.410 55.890 1.00 0.00 C ATOM 1780 CG PHE A 118 59.242 35.815 57.277 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.123 36.646 58.410 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.111 34.421 57.429 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.914 36.087 59.682 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.889 33.861 58.701 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.798 34.695 59.829 1.00 0.00 C ATOM 0 H PHE A 118 60.355 38.720 56.620 1.00 0.00 H new ATOM 0 HA PHE A 118 61.527 36.215 55.566 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.672 37.190 55.764 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.197 35.630 55.163 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.193 37.718 58.299 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.181 33.778 56.564 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.842 36.729 60.548 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.789 32.791 58.810 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.639 34.266 60.807 1.00 0.00 H new ATOM 1795 N CYS A 119 61.457 36.978 53.174 1.00 0.00 N ATOM 1796 CA CYS A 119 61.565 37.395 51.777 1.00 0.00 C ATOM 1797 C CYS A 119 61.088 36.262 50.849 1.00 0.00 C ATOM 1798 O CYS A 119 61.258 35.085 51.175 1.00 0.00 O ATOM 1799 CB CYS A 119 63.013 37.837 51.519 1.00 0.00 C ATOM 1800 SG CYS A 119 64.202 36.477 51.700 1.00 0.00 S ATOM 0 H CYS A 119 61.997 36.136 53.373 1.00 0.00 H new ATOM 0 HA CYS A 119 60.917 38.245 51.562 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.089 38.249 50.513 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.274 38.637 52.212 1.00 0.00 H new ATOM 0 HG CYS A 119 63.819 35.467 50.977 1.00 0.00 H new ATOM 1806 N ILE A 120 60.520 36.567 49.680 1.00 0.00 N ATOM 1807 CA ILE A 120 60.132 35.553 48.683 1.00 0.00 C ATOM 1808 C ILE A 120 60.648 35.963 47.299 1.00 0.00 C ATOM 1809 O ILE A 120 61.063 37.103 47.099 1.00 0.00 O ATOM 1810 CB ILE A 120 58.606 35.302 48.768 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.196 33.901 48.291 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.806 36.388 48.041 1.00 0.00 C ATOM 1813 CD1 ILE A 120 56.770 33.504 48.685 1.00 0.00 C ATOM 0 H ILE A 120 60.314 37.524 49.393 1.00 0.00 H new ATOM 0 HA ILE A 120 60.600 34.591 48.891 1.00 0.00 H new ATOM 0 HB ILE A 120 58.358 35.354 49.828 1.00 0.00 H new ATOM 0 HG12 ILE A 120 58.289 33.856 47.206 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.893 33.170 48.701 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.741 36.173 48.125 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.017 37.358 48.491 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.090 36.406 46.989 1.00 0.00 H new ATOM 0 HD11 ILE A 120 56.555 32.502 48.312 1.00 0.00 H new ATOM 0 HD12 ILE A 120 56.676 33.515 49.771 1.00 0.00 H new ATOM 0 HD13 ILE A 120 56.063 34.212 48.252 1.00 0.00 H new ATOM 1825 N ASN A 121 60.671 35.042 46.338 1.00 0.00 N ATOM 1826 CA ASN A 121 61.101 35.325 44.973 1.00 0.00 C ATOM 1827 C ASN A 121 60.159 34.716 43.920 1.00 0.00 C ATOM 1828 O ASN A 121 59.898 33.516 43.916 1.00 0.00 O ATOM 1829 CB ASN A 121 62.591 34.962 44.835 1.00 0.00 C ATOM 1830 CG ASN A 121 62.939 33.523 44.482 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.540 33.280 43.453 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.677 32.554 45.322 1.00 0.00 N ATOM 0 H ASN A 121 60.390 34.073 46.487 1.00 0.00 H new ATOM 0 HA ASN A 121 61.023 36.392 44.764 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.024 35.609 44.072 1.00 0.00 H new ATOM 0 HB3 ASN A 121 63.084 35.205 45.776 1.00 0.00 H new ATOM 0 HD21 ASN A 121 62.977 31.602 45.112 1.00 0.00 H new ATOM 0 HD22 ASN A 121 62.173 32.751 46.187 1.00 0.00 H new ATOM 1839 N SER A 122 59.643 35.556 43.017 1.00 0.00 N ATOM 1840 CA SER A 122 58.568 35.218 42.065 1.00 0.00 C ATOM 1841 C SER A 122 59.048 34.435 40.829 1.00 0.00 C ATOM 1842 O SER A 122 58.569 34.659 39.719 1.00 0.00 O ATOM 1843 CB SER A 122 57.796 36.479 41.652 1.00 0.00 C ATOM 1844 OG SER A 122 57.437 37.249 42.787 1.00 0.00 O ATOM 0 H SER A 122 59.968 36.518 42.922 1.00 0.00 H new ATOM 0 HA SER A 122 57.898 34.542 42.596 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.407 37.080 40.979 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.899 36.197 41.101 1.00 0.00 H new ATOM 0 HG SER A 122 56.948 38.048 42.499 1.00 0.00 H new ATOM 1850 N VAL A 123 60.023 33.539 41.011 1.00 0.00 N ATOM 1851 CA VAL A 123 60.780 32.846 39.948 1.00 0.00 C ATOM 1852 C VAL A 123 59.887 32.122 38.930 1.00 0.00 C ATOM 1853 O VAL A 123 60.172 32.142 37.734 1.00 0.00 O ATOM 1854 CB VAL A 123 61.801 31.897 40.621 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.163 30.763 41.434 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.813 31.288 39.653 1.00 0.00 C ATOM 0 H VAL A 123 60.325 33.260 41.944 1.00 0.00 H new ATOM 0 HA VAL A 123 61.306 33.592 39.353 1.00 0.00 H new ATOM 0 HB VAL A 123 62.325 32.564 41.305 1.00 0.00 H new ATOM 0 HG11 VAL A 123 61.946 30.144 41.872 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.548 31.186 42.228 1.00 0.00 H new ATOM 0 HG13 VAL A 123 60.541 30.152 40.780 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.493 30.636 40.201 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.287 30.709 38.894 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.382 32.084 39.173 1.00 0.00 H new ATOM 1866 N ALA A 124 58.796 31.521 39.409 1.00 0.00 N ATOM 1867 CA ALA A 124 57.856 30.721 38.614 1.00 0.00 C ATOM 1868 C ALA A 124 56.504 30.479 39.332 1.00 0.00 C ATOM 1869 O ALA A 124 56.142 29.340 39.621 1.00 0.00 O ATOM 1870 CB ALA A 124 58.548 29.399 38.231 1.00 0.00 C ATOM 0 H ALA A 124 58.532 31.578 40.393 1.00 0.00 H new ATOM 0 HA ALA A 124 57.598 31.280 37.714 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.865 28.789 37.639 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.443 29.613 37.647 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.826 28.858 39.136 1.00 0.00 H new ATOM 1876 N LEU A 125 55.768 31.546 39.672 1.00 0.00 N ATOM 1877 CA LEU A 125 54.474 31.510 40.353 1.00 0.00 C ATOM 1878 C LEU A 125 53.484 32.580 39.847 1.00 0.00 C ATOM 1879 O LEU A 125 53.850 33.459 39.067 1.00 0.00 O ATOM 1880 CB LEU A 125 54.762 31.588 41.857 1.00 0.00 C ATOM 1881 CG LEU A 125 55.498 32.824 42.413 1.00 0.00 C ATOM 1882 CD1 LEU A 125 54.703 34.125 42.308 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.799 32.578 43.892 1.00 0.00 C ATOM 0 H LEU A 125 56.075 32.497 39.469 1.00 0.00 H new ATOM 0 HA LEU A 125 53.953 30.580 40.126 1.00 0.00 H new ATOM 0 HB2 LEU A 125 53.808 31.510 42.379 1.00 0.00 H new ATOM 0 HB3 LEU A 125 55.346 30.708 42.127 1.00 0.00 H new ATOM 0 HG LEU A 125 56.397 32.949 41.809 1.00 0.00 H new ATOM 0 HD11 LEU A 125 55.291 34.945 42.721 1.00 0.00 H new ATOM 0 HD12 LEU A 125 54.478 34.331 41.261 1.00 0.00 H new ATOM 0 HD13 LEU A 125 53.772 34.029 42.867 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.320 33.441 44.306 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.865 32.425 44.433 1.00 0.00 H new ATOM 0 HD23 LEU A 125 56.427 31.693 43.993 1.00 0.00 H new ATOM 1895 N LYS A 126 52.223 32.513 40.290 1.00 0.00 N ATOM 1896 CA LYS A 126 51.117 33.403 39.909 1.00 0.00 C ATOM 1897 C LYS A 126 50.476 34.159 41.076 1.00 0.00 C ATOM 1898 O LYS A 126 50.570 33.777 42.241 1.00 0.00 O ATOM 1899 CB LYS A 126 50.097 32.599 39.109 1.00 0.00 C ATOM 1900 CG LYS A 126 50.606 32.350 37.686 1.00 0.00 C ATOM 1901 CD LYS A 126 50.530 33.578 36.771 1.00 0.00 C ATOM 1902 CE LYS A 126 51.838 34.374 36.657 1.00 0.00 C ATOM 1903 NZ LYS A 126 51.585 35.700 36.055 1.00 0.00 N ATOM 0 H LYS A 126 51.930 31.800 40.958 1.00 0.00 H new ATOM 0 HA LYS A 126 51.534 34.198 39.291 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.906 31.647 39.605 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.149 33.136 39.074 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.641 32.011 37.736 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.026 31.542 37.240 1.00 0.00 H new ATOM 0 HD2 LYS A 126 50.230 33.254 35.775 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.748 34.241 37.140 1.00 0.00 H new ATOM 0 HE2 LYS A 126 52.284 34.495 37.644 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.555 33.822 36.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 52.480 36.226 35.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 51.180 35.578 35.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 50.918 36.230 36.651 1.00 0.00 H new ATOM 1917 N PHE A 127 49.851 35.285 40.741 1.00 0.00 N ATOM 1918 CA PHE A 127 49.232 36.218 41.674 1.00 0.00 C ATOM 1919 C PHE A 127 48.171 37.086 40.989 1.00 0.00 C ATOM 1920 O PHE A 127 48.301 37.411 39.806 1.00 0.00 O ATOM 1921 CB PHE A 127 50.334 37.106 42.271 1.00 0.00 C ATOM 1922 CG PHE A 127 51.320 37.690 41.269 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.024 38.883 40.582 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.522 37.008 40.989 1.00 0.00 C ATOM 1925 CE1 PHE A 127 51.916 39.383 39.617 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.412 37.504 40.019 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.108 38.692 39.334 1.00 0.00 C ATOM 0 H PHE A 127 49.759 35.583 39.770 1.00 0.00 H new ATOM 0 HA PHE A 127 48.728 35.652 42.457 1.00 0.00 H new ATOM 0 HB2 PHE A 127 49.862 37.927 42.811 1.00 0.00 H new ATOM 0 HB3 PHE A 127 50.891 36.521 43.003 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.109 39.415 40.797 1.00 0.00 H new ATOM 0 HD2 PHE A 127 52.761 36.100 41.522 1.00 0.00 H new ATOM 0 HE1 PHE A 127 51.686 40.299 39.093 1.00 0.00 H new ATOM 0 HE2 PHE A 127 54.327 36.973 39.802 1.00 0.00 H new ATOM 0 HZ PHE A 127 53.790 39.075 38.589 1.00 0.00 H new ATOM 1937 N LYS A 128 47.162 37.515 41.753 1.00 0.00 N ATOM 1938 CA LYS A 128 46.263 38.637 41.469 1.00 0.00 C ATOM 1939 C LYS A 128 46.016 39.496 42.724 1.00 0.00 C ATOM 1940 O LYS A 128 45.980 38.950 43.833 1.00 0.00 O ATOM 1941 CB LYS A 128 44.929 38.116 40.900 1.00 0.00 C ATOM 1942 CG LYS A 128 45.048 37.793 39.405 1.00 0.00 C ATOM 1943 CD LYS A 128 45.137 36.308 39.026 1.00 0.00 C ATOM 1944 CE LYS A 128 45.202 36.182 37.495 1.00 0.00 C ATOM 1945 NZ LYS A 128 43.854 36.178 36.874 1.00 0.00 N ATOM 0 H LYS A 128 46.938 37.061 42.639 1.00 0.00 H new ATOM 0 HA LYS A 128 46.743 39.273 40.725 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.624 37.222 41.444 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.150 38.863 41.052 1.00 0.00 H new ATOM 0 HG2 LYS A 128 44.187 38.224 38.894 1.00 0.00 H new ATOM 0 HG3 LYS A 128 45.933 38.297 39.017 1.00 0.00 H new ATOM 0 HD2 LYS A 128 46.020 35.857 39.478 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.271 35.769 39.411 1.00 0.00 H new ATOM 0 HE2 LYS A 128 45.785 37.009 37.089 1.00 0.00 H new ATOM 0 HE3 LYS A 128 45.725 35.263 37.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.948 36.091 35.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 43.305 35.374 37.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 43.363 37.066 37.104 1.00 0.00 H new ATOM 1959 N PRO A 129 45.830 40.823 42.578 1.00 0.00 N ATOM 1960 CA PRO A 129 45.295 41.657 43.649 1.00 0.00 C ATOM 1961 C PRO A 129 43.803 41.370 43.887 1.00 0.00 C ATOM 1962 O PRO A 129 43.151 40.661 43.122 1.00 0.00 O ATOM 1963 CB PRO A 129 45.546 43.101 43.206 1.00 0.00 C ATOM 1964 CG PRO A 129 45.420 43.005 41.689 1.00 0.00 C ATOM 1965 CD PRO A 129 46.000 41.624 41.371 1.00 0.00 C ATOM 0 HA PRO A 129 45.779 41.454 44.604 1.00 0.00 H new ATOM 0 HB2 PRO A 129 44.816 43.789 43.632 1.00 0.00 H new ATOM 0 HB3 PRO A 129 46.531 43.454 43.510 1.00 0.00 H new ATOM 0 HG2 PRO A 129 44.382 43.089 41.366 1.00 0.00 H new ATOM 0 HG3 PRO A 129 45.975 43.799 41.189 1.00 0.00 H new ATOM 0 HD2 PRO A 129 45.482 41.170 40.526 1.00 0.00 H new ATOM 0 HD3 PRO A 129 47.053 41.697 41.098 1.00 0.00 H new ATOM 1973 N SER A 130 43.283 41.924 44.981 1.00 0.00 N ATOM 1974 CA SER A 130 41.887 41.807 45.423 1.00 0.00 C ATOM 1975 C SER A 130 41.089 43.079 45.135 1.00 0.00 C ATOM 1976 O SER A 130 39.918 43.020 44.760 1.00 0.00 O ATOM 1977 CB SER A 130 41.860 41.486 46.907 1.00 0.00 C ATOM 1978 OG SER A 130 41.241 40.239 47.135 1.00 0.00 O ATOM 0 H SER A 130 43.845 42.493 45.614 1.00 0.00 H new ATOM 0 HA SER A 130 41.414 41.001 44.861 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.877 41.470 47.300 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.323 42.268 47.444 1.00 0.00 H new ATOM 0 HG SER A 130 41.234 40.048 48.096 1.00 0.00 H new ATOM 1984 N LYS A 131 41.739 44.238 45.320 1.00 0.00 N ATOM 1985 CA LYS A 131 41.352 45.540 44.781 1.00 0.00 C ATOM 1986 C LYS A 131 40.968 45.469 43.285 1.00 0.00 C ATOM 1987 O LYS A 131 41.579 44.690 42.550 1.00 0.00 O ATOM 1988 CB LYS A 131 42.560 46.488 44.898 1.00 0.00 C ATOM 1989 CG LYS A 131 43.207 46.625 46.285 1.00 0.00 C ATOM 1990 CD LYS A 131 42.225 47.011 47.394 1.00 0.00 C ATOM 1991 CE LYS A 131 41.767 45.797 48.199 1.00 0.00 C ATOM 1992 NZ LYS A 131 41.160 46.178 49.492 1.00 0.00 N ATOM 0 H LYS A 131 42.591 44.289 45.878 1.00 0.00 H new ATOM 0 HA LYS A 131 40.487 45.887 45.346 1.00 0.00 H new ATOM 0 HB2 LYS A 131 43.325 46.150 44.199 1.00 0.00 H new ATOM 0 HB3 LYS A 131 42.246 47.479 44.571 1.00 0.00 H new ATOM 0 HG2 LYS A 131 43.683 45.680 46.548 1.00 0.00 H new ATOM 0 HG3 LYS A 131 43.996 47.376 46.234 1.00 0.00 H new ATOM 0 HD2 LYS A 131 42.697 47.732 48.062 1.00 0.00 H new ATOM 0 HD3 LYS A 131 41.357 47.504 46.955 1.00 0.00 H new ATOM 0 HE2 LYS A 131 41.044 45.228 47.614 1.00 0.00 H new ATOM 0 HE3 LYS A 131 42.619 45.141 48.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 41.760 45.838 50.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 41.077 47.213 49.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 40.215 45.751 49.571 1.00 0.00 H new