USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-7.3!) USER MOD Set 1.2: A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 HIS : no HD1:sc= 1.11 K(o=2.5,f=-6.2!) USER MOD Set 2.2: A 119 CYS SG : rot 51:sc= 1.34 USER MOD Set 3.1: A 40 CYS SG : rot -157:sc= 0.0236 USER MOD Set 3.2: A 43 CYS SG : rot -97:sc= -0.413 USER MOD Set 3.3: A 45 SER OG : rot 94:sc= 1.24 USER MOD Set 3.4: A 96 CYS SG : rot -151:sc= -5.06! USER MOD Set 3.5: A 98 GLN : amide:sc= 1.1 K(o=-7.7,f=-9.7) USER MOD Set 3.6: A 99 CYS SG : rot -1:sc= -4.61! USER MOD Set 3.7: A 102 HIS : no HE2:sc= 0.0626 K(o=-7.7,f=-11) USER MOD Set 4.1: A 38 TYR OH : rot 90:sc= 0.94 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 53 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 33:sc= 0.281 USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.0103) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 1.17 (180deg=0.231) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -169:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -54:sc= 0.326 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc=-0.00878 USER MOD Single : A 92 MET CE :methyl -176:sc= 0 (180deg=-0.0268) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 116 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.98) USER MOD Single : A 121 ASN : amide:sc= 0.793 K(o=0.79,f=-6.5!) 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 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 46.128 45.571 46.097 1.00 0.00 N ATOM 559 CA THR A 35 46.093 44.394 46.982 1.00 0.00 C ATOM 560 C THR A 35 45.738 43.148 46.172 1.00 0.00 C ATOM 561 O THR A 35 45.083 43.240 45.131 1.00 0.00 O ATOM 562 CB THR A 35 45.067 44.590 48.121 1.00 0.00 C ATOM 563 OG1 THR A 35 45.165 45.883 48.669 1.00 0.00 O ATOM 564 CG2 THR A 35 45.244 43.613 49.286 1.00 0.00 C ATOM 0 HA THR A 35 47.080 44.269 47.428 1.00 0.00 H new ATOM 0 HB THR A 35 44.100 44.415 47.650 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.429 46.516 47.969 1.00 0.00 H new ATOM 0 HG21 THR A 35 44.488 43.812 50.046 1.00 0.00 H new ATOM 0 HG22 THR A 35 45.134 42.591 48.924 1.00 0.00 H new ATOM 0 HG23 THR A 35 46.236 43.739 49.719 1.00 0.00 H new ATOM 572 N GLY A 36 46.134 41.970 46.651 1.00 0.00 N ATOM 573 CA GLY A 36 45.896 40.701 45.947 1.00 0.00 C ATOM 574 C GLY A 36 46.576 39.488 46.570 1.00 0.00 C ATOM 575 O GLY A 36 46.854 39.493 47.770 1.00 0.00 O ATOM 0 H GLY A 36 46.629 41.863 47.537 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.822 40.518 45.909 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.238 40.803 44.917 1.00 0.00 H new ATOM 579 N MET A 37 46.869 38.461 45.768 1.00 0.00 N ATOM 580 CA MET A 37 47.518 37.222 46.196 1.00 0.00 C ATOM 581 C MET A 37 48.341 36.537 45.096 1.00 0.00 C ATOM 582 O MET A 37 48.237 36.853 43.911 1.00 0.00 O ATOM 583 CB MET A 37 46.495 36.270 46.843 1.00 0.00 C ATOM 584 CG MET A 37 45.553 35.539 45.885 1.00 0.00 C ATOM 585 SD MET A 37 44.439 36.539 44.862 1.00 0.00 S ATOM 586 CE MET A 37 43.347 37.262 46.114 1.00 0.00 C ATOM 0 H MET A 37 46.654 38.471 44.771 1.00 0.00 H new ATOM 0 HA MET A 37 48.252 37.501 46.952 1.00 0.00 H new ATOM 0 HB2 MET A 37 47.039 35.525 47.423 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.891 36.843 47.547 1.00 0.00 H new ATOM 0 HG2 MET A 37 46.162 34.929 45.218 1.00 0.00 H new ATOM 0 HG3 MET A 37 44.942 34.855 46.474 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.588 37.873 45.626 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.863 36.465 46.679 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.932 37.883 46.792 1.00 0.00 H new ATOM 596 N TYR A 38 49.166 35.594 45.536 1.00 0.00 N ATOM 597 CA TYR A 38 50.150 34.840 44.766 1.00 0.00 C ATOM 598 C TYR A 38 49.882 33.337 44.841 1.00 0.00 C ATOM 599 O TYR A 38 49.282 32.828 45.790 1.00 0.00 O ATOM 600 CB TYR A 38 51.558 35.131 45.298 1.00 0.00 C ATOM 601 CG TYR A 38 52.023 36.553 45.083 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.644 36.902 43.871 1.00 0.00 C ATOM 603 CD2 TYR A 38 51.860 37.514 46.098 1.00 0.00 C ATOM 604 CE1 TYR A 38 53.109 38.214 43.671 1.00 0.00 C ATOM 605 CE2 TYR A 38 52.337 38.824 45.908 1.00 0.00 C ATOM 606 CZ TYR A 38 52.958 39.176 44.692 1.00 0.00 C ATOM 607 OH TYR A 38 53.428 40.438 44.516 1.00 0.00 O ATOM 0 H TYR A 38 49.165 35.315 46.517 1.00 0.00 H new ATOM 0 HA TYR A 38 50.072 35.152 43.725 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.583 34.910 46.365 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.263 34.454 44.816 1.00 0.00 H new ATOM 0 HD1 TYR A 38 52.764 36.162 43.093 1.00 0.00 H new ATOM 0 HD2 TYR A 38 51.369 37.246 47.022 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.581 38.485 42.738 1.00 0.00 H new ATOM 0 HE2 TYR A 38 52.228 39.559 46.692 1.00 0.00 H new ATOM 0 HH TYR A 38 52.728 40.995 44.114 1.00 0.00 H new ATOM 617 N HIS A 39 50.313 32.629 43.809 1.00 0.00 N ATOM 618 CA HIS A 39 50.306 31.172 43.707 1.00 0.00 C ATOM 619 C HIS A 39 51.562 30.692 42.966 1.00 0.00 C ATOM 620 O HIS A 39 52.189 31.475 42.247 1.00 0.00 O ATOM 621 CB HIS A 39 49.015 30.642 43.036 1.00 0.00 C ATOM 622 CG HIS A 39 47.902 31.610 42.673 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.296 32.520 43.509 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.216 31.652 41.488 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.303 33.124 42.837 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.208 32.625 41.596 1.00 0.00 N ATOM 0 H HIS A 39 50.697 33.075 42.976 1.00 0.00 H new ATOM 0 HA HIS A 39 50.319 30.763 44.717 1.00 0.00 H new ATOM 0 HB2 HIS A 39 49.311 30.129 42.121 1.00 0.00 H new ATOM 0 HB3 HIS A 39 48.588 29.890 43.700 1.00 0.00 H new ATOM 0 HD1 HIS A 39 47.558 32.705 44.477 1.00 0.00 H new ATOM 0 HD2 HIS A 39 47.416 31.042 40.620 1.00 0.00 H new ATOM 0 HE1 HIS A 39 45.670 33.902 43.239 1.00 0.00 H new ATOM 634 N CYS A 40 51.918 29.417 43.100 1.00 0.00 N ATOM 635 CA CYS A 40 52.857 28.766 42.218 1.00 0.00 C ATOM 636 C CYS A 40 52.370 28.868 40.750 1.00 0.00 C ATOM 637 O CYS A 40 51.176 28.911 40.445 1.00 0.00 O ATOM 638 CB CYS A 40 52.954 27.296 42.657 1.00 0.00 C ATOM 639 SG CYS A 40 53.370 27.011 44.406 1.00 0.00 S ATOM 0 H CYS A 40 51.554 28.809 43.834 1.00 0.00 H new ATOM 0 HA CYS A 40 53.836 29.243 42.273 1.00 0.00 H new ATOM 0 HB2 CYS A 40 52.000 26.811 42.447 1.00 0.00 H new ATOM 0 HB3 CYS A 40 53.705 26.802 42.040 1.00 0.00 H new ATOM 0 HG CYS A 40 53.890 25.827 44.541 1.00 0.00 H new ATOM 644 N VAL A 41 53.329 28.809 39.837 1.00 0.00 N ATOM 645 CA VAL A 41 53.087 28.405 38.435 1.00 0.00 C ATOM 646 C VAL A 41 53.129 26.877 38.242 1.00 0.00 C ATOM 647 O VAL A 41 52.775 26.377 37.176 1.00 0.00 O ATOM 648 CB VAL A 41 54.027 29.158 37.476 1.00 0.00 C ATOM 649 CG1 VAL A 41 55.411 28.511 37.351 1.00 0.00 C ATOM 650 CG2 VAL A 41 53.433 29.314 36.072 1.00 0.00 C ATOM 0 H VAL A 41 54.303 29.038 40.035 1.00 0.00 H new ATOM 0 HA VAL A 41 52.068 28.697 38.181 1.00 0.00 H new ATOM 0 HB VAL A 41 54.143 30.141 37.931 1.00 0.00 H new ATOM 0 HG11 VAL A 41 56.023 29.091 36.661 1.00 0.00 H new ATOM 0 HG12 VAL A 41 55.891 28.487 38.329 1.00 0.00 H new ATOM 0 HG13 VAL A 41 55.304 27.494 36.974 1.00 0.00 H new ATOM 0 HG21 VAL A 41 54.137 29.852 35.437 1.00 0.00 H new ATOM 0 HG22 VAL A 41 53.240 28.329 35.647 1.00 0.00 H new ATOM 0 HG23 VAL A 41 52.499 29.872 36.132 1.00 0.00 H new ATOM 660 N CYS A 42 53.581 26.132 39.254 1.00 0.00 N ATOM 661 CA CYS A 42 53.922 24.711 39.153 1.00 0.00 C ATOM 662 C CYS A 42 52.765 23.756 39.507 1.00 0.00 C ATOM 663 O CYS A 42 52.531 22.812 38.751 1.00 0.00 O ATOM 664 CB CYS A 42 55.154 24.453 40.030 1.00 0.00 C ATOM 665 SG CYS A 42 56.629 25.293 39.376 1.00 0.00 S ATOM 0 H CYS A 42 53.724 26.510 40.190 1.00 0.00 H new ATOM 0 HA CYS A 42 54.139 24.492 38.107 1.00 0.00 H new ATOM 0 HB2 CYS A 42 54.958 24.799 41.045 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.341 23.381 40.089 1.00 0.00 H new ATOM 0 HG CYS A 42 57.645 25.050 40.149 1.00 0.00 H new ATOM 671 N CYS A 43 52.052 23.989 40.616 1.00 0.00 N ATOM 672 CA CYS A 43 50.926 23.190 41.067 1.00 0.00 C ATOM 673 C CYS A 43 49.600 23.815 40.584 1.00 0.00 C ATOM 674 O CYS A 43 49.205 23.644 39.428 1.00 0.00 O ATOM 675 CB CYS A 43 51.070 22.972 42.594 1.00 0.00 C ATOM 676 SG CYS A 43 51.383 24.517 43.476 1.00 0.00 S ATOM 0 H CYS A 43 52.258 24.769 41.240 1.00 0.00 H new ATOM 0 HA CYS A 43 50.915 22.194 40.624 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.161 22.512 42.981 1.00 0.00 H new ATOM 0 HB3 CYS A 43 51.886 22.275 42.785 1.00 0.00 H new ATOM 0 HG CYS A 43 52.660 24.650 43.678 1.00 0.00 H new ATOM 681 N ASP A 44 48.917 24.514 41.488 1.00 0.00 N ATOM 682 CA ASP A 44 47.587 25.125 41.306 1.00 0.00 C ATOM 683 C ASP A 44 47.301 26.249 42.312 1.00 0.00 C ATOM 684 O ASP A 44 46.754 27.297 41.956 1.00 0.00 O ATOM 685 CB ASP A 44 46.489 24.066 41.521 1.00 0.00 C ATOM 686 CG ASP A 44 46.424 23.006 40.430 1.00 0.00 C ATOM 687 OD1 ASP A 44 46.059 23.368 39.287 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.736 21.826 40.724 1.00 0.00 O ATOM 0 H ASP A 44 49.291 24.683 42.422 1.00 0.00 H new ATOM 0 HA ASP A 44 47.584 25.532 40.295 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.656 23.575 42.480 1.00 0.00 H new ATOM 0 HB3 ASP A 44 45.523 24.567 41.583 1.00 0.00 H new ATOM 693 N SER A 45 47.581 25.970 43.586 1.00 0.00 N ATOM 694 CA SER A 45 47.005 26.630 44.754 1.00 0.00 C ATOM 695 C SER A 45 47.860 27.755 45.360 1.00 0.00 C ATOM 696 O SER A 45 49.083 27.764 45.223 1.00 0.00 O ATOM 697 CB SER A 45 46.628 25.558 45.791 1.00 0.00 C ATOM 698 OG SER A 45 47.324 24.325 45.644 1.00 0.00 O ATOM 0 H SER A 45 48.248 25.242 43.841 1.00 0.00 H new ATOM 0 HA SER A 45 46.113 27.157 44.415 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.820 25.952 46.789 1.00 0.00 H new ATOM 0 HB3 SER A 45 45.557 25.367 45.724 1.00 0.00 H new ATOM 0 HG SER A 45 48.118 24.327 46.218 1.00 0.00 H new ATOM 704 N PRO A 46 47.232 28.737 46.040 1.00 0.00 N ATOM 705 CA PRO A 46 47.946 29.877 46.600 1.00 0.00 C ATOM 706 C PRO A 46 48.695 29.555 47.888 1.00 0.00 C ATOM 707 O PRO A 46 48.156 28.956 48.816 1.00 0.00 O ATOM 708 CB PRO A 46 46.900 30.958 46.812 1.00 0.00 C ATOM 709 CG PRO A 46 45.629 30.159 47.090 1.00 0.00 C ATOM 710 CD PRO A 46 45.797 28.915 46.214 1.00 0.00 C ATOM 0 HA PRO A 46 48.730 30.199 45.915 1.00 0.00 H new ATOM 0 HB2 PRO A 46 47.157 31.610 47.647 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.793 31.593 45.933 1.00 0.00 H new ATOM 0 HG2 PRO A 46 45.540 29.899 48.145 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.734 30.721 46.823 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.350 28.041 46.688 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.301 29.045 45.252 1.00 0.00 H new ATOM 718 N LEU A 47 49.927 30.056 47.949 1.00 0.00 N ATOM 719 CA LEU A 47 50.833 29.891 49.090 1.00 0.00 C ATOM 720 C LEU A 47 50.845 31.122 50.013 1.00 0.00 C ATOM 721 O LEU A 47 51.043 30.984 51.219 1.00 0.00 O ATOM 722 CB LEU A 47 52.229 29.533 48.541 1.00 0.00 C ATOM 723 CG LEU A 47 53.305 29.262 49.606 1.00 0.00 C ATOM 724 CD1 LEU A 47 52.934 28.140 50.577 1.00 0.00 C ATOM 725 CD2 LEU A 47 54.621 28.881 48.929 1.00 0.00 C ATOM 0 H LEU A 47 50.335 30.601 47.190 1.00 0.00 H new ATOM 0 HA LEU A 47 50.481 29.080 49.727 1.00 0.00 H new ATOM 0 HB2 LEU A 47 52.137 28.650 47.909 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.570 30.348 47.903 1.00 0.00 H new ATOM 0 HG LEU A 47 53.398 30.185 50.179 1.00 0.00 H new ATOM 0 HD11 LEU A 47 53.738 28.004 51.300 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.015 28.402 51.101 1.00 0.00 H new ATOM 0 HD13 LEU A 47 52.784 27.214 50.022 1.00 0.00 H new ATOM 0 HD21 LEU A 47 55.379 28.690 49.689 1.00 0.00 H new ATOM 0 HD22 LEU A 47 54.475 27.983 48.329 1.00 0.00 H new ATOM 0 HD23 LEU A 47 54.949 29.698 48.286 1.00 0.00 H new ATOM 737 N PHE A 48 50.620 32.327 49.473 1.00 0.00 N ATOM 738 CA PHE A 48 50.555 33.558 50.273 1.00 0.00 C ATOM 739 C PHE A 48 49.761 34.665 49.568 1.00 0.00 C ATOM 740 O PHE A 48 49.610 34.683 48.345 1.00 0.00 O ATOM 741 CB PHE A 48 51.969 34.043 50.660 1.00 0.00 C ATOM 742 CG PHE A 48 52.816 34.616 49.538 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.474 33.761 48.633 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.990 36.010 49.429 1.00 0.00 C ATOM 745 CE1 PHE A 48 54.283 34.294 47.613 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.821 36.542 48.427 1.00 0.00 C ATOM 747 CZ PHE A 48 54.452 35.685 47.508 1.00 0.00 C ATOM 0 H PHE A 48 50.478 32.476 48.474 1.00 0.00 H new ATOM 0 HA PHE A 48 50.017 33.317 51.190 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.869 34.803 51.435 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.509 33.205 51.102 1.00 0.00 H new ATOM 0 HD1 PHE A 48 53.357 32.691 48.722 1.00 0.00 H new ATOM 0 HD2 PHE A 48 52.484 36.671 50.117 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.773 33.635 46.912 1.00 0.00 H new ATOM 0 HE2 PHE A 48 53.975 37.609 48.363 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.067 36.096 46.721 1.00 0.00 H new ATOM 757 N SER A 49 49.254 35.628 50.344 1.00 0.00 N ATOM 758 CA SER A 49 48.567 36.803 49.823 1.00 0.00 C ATOM 759 C SER A 49 49.473 38.028 49.835 1.00 0.00 C ATOM 760 O SER A 49 50.257 38.224 50.757 1.00 0.00 O ATOM 761 CB SER A 49 47.270 37.058 50.577 1.00 0.00 C ATOM 762 OG SER A 49 46.377 35.979 50.400 1.00 0.00 O ATOM 0 H SER A 49 49.312 35.609 51.362 1.00 0.00 H new ATOM 0 HA SER A 49 48.309 36.603 48.783 1.00 0.00 H new ATOM 0 HB2 SER A 49 47.480 37.194 51.638 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.811 37.980 50.222 1.00 0.00 H new ATOM 0 HG SER A 49 45.548 36.156 50.892 1.00 0.00 H new ATOM 768 N SER A 50 49.291 38.913 48.859 1.00 0.00 N ATOM 769 CA SER A 50 49.962 40.224 48.785 1.00 0.00 C ATOM 770 C SER A 50 49.554 41.149 49.934 1.00 0.00 C ATOM 771 O SER A 50 50.245 42.095 50.277 1.00 0.00 O ATOM 772 CB SER A 50 49.649 40.880 47.440 1.00 0.00 C ATOM 773 OG SER A 50 50.729 41.651 46.942 1.00 0.00 O ATOM 0 H SER A 50 48.660 38.743 48.076 1.00 0.00 H new ATOM 0 HA SER A 50 51.035 40.057 48.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.395 40.108 46.714 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.772 41.518 47.547 1.00 0.00 H new ATOM 0 HG SER A 50 50.479 42.047 46.081 1.00 0.00 H new ATOM 779 N GLU A 51 48.448 40.817 50.589 1.00 0.00 N ATOM 780 CA GLU A 51 47.979 41.391 51.837 1.00 0.00 C ATOM 781 C GLU A 51 48.989 41.284 52.983 1.00 0.00 C ATOM 782 O GLU A 51 49.117 42.176 53.814 1.00 0.00 O ATOM 783 CB GLU A 51 46.715 40.603 52.213 1.00 0.00 C ATOM 784 CG GLU A 51 45.590 41.512 52.673 1.00 0.00 C ATOM 785 CD GLU A 51 44.772 40.946 53.855 1.00 0.00 C ATOM 786 OE1 GLU A 51 45.364 40.638 54.920 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.527 40.867 53.750 1.00 0.00 O ATOM 0 H GLU A 51 47.819 40.095 50.238 1.00 0.00 H new ATOM 0 HA GLU A 51 47.805 42.457 51.692 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.382 40.022 51.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.953 39.893 53.005 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.010 42.475 52.963 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.919 41.696 51.834 1.00 0.00 H new ATOM 794 N LYS A 52 49.720 40.169 52.999 1.00 0.00 N ATOM 795 CA LYS A 52 50.801 39.845 53.925 1.00 0.00 C ATOM 796 C LYS A 52 52.106 40.567 53.579 1.00 0.00 C ATOM 797 O LYS A 52 53.104 40.350 54.269 1.00 0.00 O ATOM 798 CB LYS A 52 51.014 38.317 53.910 1.00 0.00 C ATOM 799 CG LYS A 52 49.727 37.472 53.995 1.00 0.00 C ATOM 800 CD LYS A 52 48.923 37.781 55.259 1.00 0.00 C ATOM 801 CE LYS A 52 47.678 38.643 55.111 1.00 0.00 C ATOM 802 NZ LYS A 52 47.043 38.897 56.423 1.00 0.00 N ATOM 0 H LYS A 52 49.561 39.422 52.322 1.00 0.00 H new ATOM 0 HA LYS A 52 50.515 40.185 54.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.545 38.050 52.996 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.661 38.049 54.745 1.00 0.00 H new ATOM 0 HG2 LYS A 52 49.110 37.662 53.117 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.986 36.413 53.980 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.624 36.833 55.706 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.589 38.272 55.969 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.943 39.591 54.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.967 38.148 54.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.013 38.979 56.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 47.253 38.109 57.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.415 39.782 56.823 1.00 0.00 H new ATOM 816 N LYS A 53 52.139 41.363 52.500 1.00 0.00 N ATOM 817 CA LYS A 53 53.404 41.933 51.996 1.00 0.00 C ATOM 818 C LYS A 53 53.987 42.955 52.980 1.00 0.00 C ATOM 819 O LYS A 53 53.409 44.009 53.237 1.00 0.00 O ATOM 820 CB LYS A 53 53.242 42.492 50.580 1.00 0.00 C ATOM 821 CG LYS A 53 54.583 42.921 49.957 1.00 0.00 C ATOM 822 CD LYS A 53 54.415 43.421 48.516 1.00 0.00 C ATOM 823 CE LYS A 53 54.115 42.257 47.563 1.00 0.00 C ATOM 824 NZ LYS A 53 53.746 42.723 46.208 1.00 0.00 N ATOM 0 H LYS A 53 51.314 41.627 51.961 1.00 0.00 H new ATOM 0 HA LYS A 53 54.133 41.126 51.923 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.776 41.737 49.946 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.567 43.348 50.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 55.029 43.709 50.564 1.00 0.00 H new ATOM 0 HG3 LYS A 53 55.274 42.079 49.970 1.00 0.00 H new ATOM 0 HD2 LYS A 53 53.606 44.150 48.472 1.00 0.00 H new ATOM 0 HD3 LYS A 53 55.323 43.933 48.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.989 41.610 47.497 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.303 41.655 47.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 53.635 41.904 45.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 52.850 43.249 46.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 54.494 43.345 45.839 1.00 0.00 H new ATOM 838 N TYR A 54 55.168 42.638 53.496 1.00 0.00 N ATOM 839 CA TYR A 54 55.984 43.522 54.322 1.00 0.00 C ATOM 840 C TYR A 54 56.778 44.499 53.441 1.00 0.00 C ATOM 841 O TYR A 54 57.385 44.082 52.454 1.00 0.00 O ATOM 842 CB TYR A 54 56.885 42.690 55.233 1.00 0.00 C ATOM 843 CG TYR A 54 57.996 43.490 55.885 1.00 0.00 C ATOM 844 CD1 TYR A 54 57.754 44.210 57.066 1.00 0.00 C ATOM 845 CD2 TYR A 54 59.254 43.580 55.247 1.00 0.00 C ATOM 846 CE1 TYR A 54 58.762 45.037 57.609 1.00 0.00 C ATOM 847 CE2 TYR A 54 60.257 44.402 55.782 1.00 0.00 C ATOM 848 CZ TYR A 54 60.008 45.142 56.961 1.00 0.00 C ATOM 849 OH TYR A 54 60.973 45.960 57.454 1.00 0.00 O ATOM 0 H TYR A 54 55.600 41.726 53.346 1.00 0.00 H new ATOM 0 HA TYR A 54 55.340 44.127 54.961 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.275 42.230 56.011 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.325 41.879 54.652 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.797 44.131 57.559 1.00 0.00 H new ATOM 0 HD2 TYR A 54 59.443 43.015 54.346 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.578 45.588 58.519 1.00 0.00 H new ATOM 0 HE2 TYR A 54 61.218 44.470 55.294 1.00 0.00 H new ATOM 0 HH TYR A 54 61.768 45.909 56.883 1.00 0.00 H new ATOM 933 N PRO A 61 59.185 41.363 46.793 1.00 0.00 N ATOM 934 CA PRO A 61 58.185 40.355 47.138 1.00 0.00 C ATOM 935 C PRO A 61 58.499 39.654 48.474 1.00 0.00 C ATOM 936 O PRO A 61 59.505 38.961 48.643 1.00 0.00 O ATOM 937 CB PRO A 61 58.178 39.410 45.944 1.00 0.00 C ATOM 938 CG PRO A 61 59.655 39.369 45.548 1.00 0.00 C ATOM 939 CD PRO A 61 60.146 40.784 45.859 1.00 0.00 C ATOM 0 HA PRO A 61 57.198 40.786 47.309 1.00 0.00 H new ATOM 0 HB2 PRO A 61 57.801 38.422 46.210 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.551 39.783 45.134 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.203 38.619 46.119 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.781 39.123 44.494 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.145 40.760 46.295 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.210 41.381 44.949 1.00 0.00 H new ATOM 947 N SER A 62 57.601 39.826 49.437 1.00 0.00 N ATOM 948 CA SER A 62 57.716 39.359 50.812 1.00 0.00 C ATOM 949 C SER A 62 56.370 38.848 51.340 1.00 0.00 C ATOM 950 O SER A 62 55.318 39.097 50.742 1.00 0.00 O ATOM 951 CB SER A 62 58.177 40.544 51.656 1.00 0.00 C ATOM 952 OG SER A 62 57.143 41.505 51.732 1.00 0.00 O ATOM 0 H SER A 62 56.726 40.322 49.269 1.00 0.00 H new ATOM 0 HA SER A 62 58.425 38.532 50.862 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.448 40.207 52.657 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.070 40.990 51.217 1.00 0.00 H new ATOM 0 HG SER A 62 57.496 42.335 52.115 1.00 0.00 H new ATOM 958 N PHE A 63 56.393 38.196 52.501 1.00 0.00 N ATOM 959 CA PHE A 63 55.240 37.975 53.349 1.00 0.00 C ATOM 960 C PHE A 63 55.704 37.921 54.808 1.00 0.00 C ATOM 961 O PHE A 63 56.781 37.420 55.124 1.00 0.00 O ATOM 962 CB PHE A 63 54.440 36.738 52.923 1.00 0.00 C ATOM 963 CG PHE A 63 55.201 35.436 52.744 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.757 35.113 51.490 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.281 34.510 53.799 1.00 0.00 C ATOM 966 CE1 PHE A 63 56.386 33.870 51.293 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.901 33.263 53.601 1.00 0.00 C ATOM 968 CZ PHE A 63 56.456 32.945 52.348 1.00 0.00 C ATOM 0 H PHE A 63 57.249 37.796 52.884 1.00 0.00 H new ATOM 0 HA PHE A 63 54.544 38.807 53.242 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.659 36.571 53.665 1.00 0.00 H new ATOM 0 HB3 PHE A 63 53.942 36.968 51.981 1.00 0.00 H new ATOM 0 HD1 PHE A 63 55.700 35.822 50.677 1.00 0.00 H new ATOM 0 HD2 PHE A 63 54.865 34.757 54.765 1.00 0.00 H new ATOM 0 HE1 PHE A 63 56.815 33.627 50.332 1.00 0.00 H new ATOM 0 HE2 PHE A 63 55.951 32.550 54.411 1.00 0.00 H new ATOM 0 HZ PHE A 63 56.936 31.989 52.197 1.00 0.00 H new ATOM 978 N SER A 64 54.905 38.497 55.694 1.00 0.00 N ATOM 979 CA SER A 64 55.075 38.420 57.155 1.00 0.00 C ATOM 980 C SER A 64 54.437 37.176 57.788 1.00 0.00 C ATOM 981 O SER A 64 54.740 36.845 58.934 1.00 0.00 O ATOM 982 CB SER A 64 54.500 39.679 57.808 1.00 0.00 C ATOM 983 OG SER A 64 53.121 39.805 57.505 1.00 0.00 O ATOM 0 H SER A 64 54.093 39.050 55.418 1.00 0.00 H new ATOM 0 HA SER A 64 56.147 38.344 57.336 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.639 39.632 58.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.039 40.558 57.455 1.00 0.00 H new ATOM 0 HG SER A 64 52.765 40.613 57.930 1.00 0.00 H new ATOM 989 N GLU A 65 53.536 36.499 57.075 1.00 0.00 N ATOM 990 CA GLU A 65 52.799 35.312 57.519 1.00 0.00 C ATOM 991 C GLU A 65 52.281 34.508 56.323 1.00 0.00 C ATOM 992 O GLU A 65 52.131 35.028 55.214 1.00 0.00 O ATOM 993 CB GLU A 65 51.639 35.700 58.458 1.00 0.00 C ATOM 994 CG GLU A 65 50.610 36.606 57.773 1.00 0.00 C ATOM 995 CD GLU A 65 49.533 37.202 58.689 1.00 0.00 C ATOM 996 OE1 GLU A 65 49.873 37.642 59.813 1.00 0.00 O ATOM 997 OE2 GLU A 65 48.375 37.343 58.229 1.00 0.00 O ATOM 0 H GLU A 65 53.287 36.776 56.125 1.00 0.00 H new ATOM 0 HA GLU A 65 53.490 34.681 58.078 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.144 34.796 58.812 1.00 0.00 H new ATOM 0 HB3 GLU A 65 52.040 36.208 59.335 1.00 0.00 H new ATOM 0 HG2 GLU A 65 51.141 37.425 57.287 1.00 0.00 H new ATOM 0 HG3 GLU A 65 50.116 36.035 56.987 1.00 0.00 H new ATOM 1004 N ALA A 66 51.980 33.240 56.579 1.00 0.00 N ATOM 1005 CA ALA A 66 51.501 32.273 55.598 1.00 0.00 C ATOM 1006 C ALA A 66 50.082 31.820 55.978 1.00 0.00 C ATOM 1007 O ALA A 66 49.891 30.848 56.709 1.00 0.00 O ATOM 1008 CB ALA A 66 52.514 31.123 55.504 1.00 0.00 C ATOM 0 H ALA A 66 52.067 32.841 57.514 1.00 0.00 H new ATOM 0 HA ALA A 66 51.426 32.714 54.604 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.168 30.392 54.773 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.482 31.516 55.194 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.612 30.644 56.478 1.00 0.00 H new ATOM 1162 N GLY A 78 52.169 20.972 53.770 1.00 0.00 N ATOM 1163 CA GLY A 78 52.039 21.345 52.344 1.00 0.00 C ATOM 1164 C GLY A 78 53.339 21.850 51.687 1.00 0.00 C ATOM 1165 O GLY A 78 53.414 22.028 50.472 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.680 20.479 51.788 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.278 22.120 52.254 1.00 0.00 H new ATOM 1169 N ILE A 79 54.383 22.047 52.496 1.00 0.00 N ATOM 1170 CA ILE A 79 55.674 22.658 52.154 1.00 0.00 C ATOM 1171 C ILE A 79 56.841 21.852 52.743 1.00 0.00 C ATOM 1172 O ILE A 79 56.633 20.889 53.487 1.00 0.00 O ATOM 1173 CB ILE A 79 55.696 24.147 52.586 1.00 0.00 C ATOM 1174 CG1 ILE A 79 55.589 24.424 54.097 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.580 24.930 51.872 1.00 0.00 C ATOM 1176 CD1 ILE A 79 56.826 24.105 54.950 1.00 0.00 C ATOM 0 H ILE A 79 54.348 21.765 53.476 1.00 0.00 H new ATOM 0 HA ILE A 79 55.801 22.634 51.072 1.00 0.00 H new ATOM 0 HB ILE A 79 56.691 24.481 52.292 1.00 0.00 H new ATOM 0 HG12 ILE A 79 55.346 25.478 54.233 1.00 0.00 H new ATOM 0 HG13 ILE A 79 54.749 23.850 54.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.609 25.973 52.186 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.727 24.872 50.794 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.612 24.500 52.130 1.00 0.00 H new ATOM 0 HD11 ILE A 79 56.620 24.345 55.993 1.00 0.00 H new ATOM 0 HD12 ILE A 79 57.066 23.045 54.861 1.00 0.00 H new ATOM 0 HD13 ILE A 79 57.671 24.698 54.601 1.00 0.00 H new ATOM 1188 N LEU A 80 58.075 22.265 52.461 1.00 0.00 N ATOM 1189 CA LEU A 80 59.297 21.765 53.075 1.00 0.00 C ATOM 1190 C LEU A 80 60.322 22.892 53.201 1.00 0.00 C ATOM 1191 O LEU A 80 60.143 23.998 52.696 1.00 0.00 O ATOM 1192 CB LEU A 80 59.869 20.579 52.294 1.00 0.00 C ATOM 1193 CG LEU A 80 60.337 19.487 53.257 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.191 18.589 53.715 1.00 0.00 C ATOM 1195 CD2 LEU A 80 61.409 18.636 52.603 1.00 0.00 C ATOM 0 H LEU A 80 58.255 22.990 51.767 1.00 0.00 H new ATOM 0 HA LEU A 80 59.056 21.405 54.075 1.00 0.00 H new ATOM 0 HB2 LEU A 80 59.111 20.179 51.620 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.703 20.910 51.675 1.00 0.00 H new ATOM 0 HG LEU A 80 60.741 19.990 54.136 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.574 17.830 54.397 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.440 19.190 54.226 1.00 0.00 H new ATOM 0 HD13 LEU A 80 58.740 18.104 52.849 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.734 17.862 53.299 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.005 18.170 51.704 1.00 0.00 H new ATOM 0 HD23 LEU A 80 62.259 19.264 52.336 1.00 0.00 H new ATOM 1207 N ARG A 81 61.405 22.624 53.922 1.00 0.00 N ATOM 1208 CA ARG A 81 62.455 23.595 54.184 1.00 0.00 C ATOM 1209 C ARG A 81 63.798 22.979 54.562 1.00 0.00 C ATOM 1210 O ARG A 81 63.866 21.829 55.004 1.00 0.00 O ATOM 1211 CB ARG A 81 61.954 24.610 55.209 1.00 0.00 C ATOM 1212 CG ARG A 81 61.516 24.140 56.592 1.00 0.00 C ATOM 1213 CD ARG A 81 60.199 23.351 56.661 1.00 0.00 C ATOM 1214 NE ARG A 81 59.546 23.554 57.965 1.00 0.00 N ATOM 1215 CZ ARG A 81 59.695 22.863 59.077 1.00 0.00 C ATOM 1216 NH1 ARG A 81 60.348 21.743 59.186 1.00 0.00 N ATOM 1217 NH2 ARG A 81 59.187 23.332 60.171 1.00 0.00 N ATOM 0 H ARG A 81 61.578 21.713 54.346 1.00 0.00 H new ATOM 0 HA ARG A 81 62.670 24.111 53.248 1.00 0.00 H new ATOM 0 HB2 ARG A 81 62.746 25.345 55.352 1.00 0.00 H new ATOM 0 HB3 ARG A 81 61.109 25.134 54.761 1.00 0.00 H new ATOM 0 HG2 ARG A 81 62.309 23.518 57.008 1.00 0.00 H new ATOM 0 HG3 ARG A 81 61.425 25.014 57.237 1.00 0.00 H new ATOM 0 HD2 ARG A 81 59.533 23.672 55.860 1.00 0.00 H new ATOM 0 HD3 ARG A 81 60.395 22.290 56.507 1.00 0.00 H new ATOM 0 HE ARG A 81 58.891 24.334 58.014 1.00 0.00 H new ATOM 0 HH11 ARG A 81 60.796 21.332 58.367 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.412 21.276 60.090 1.00 0.00 H new ATOM 0 HH21 ARG A 81 58.684 24.219 60.160 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.290 22.814 61.044 1.00 0.00 H new ATOM 1231 N ARG A 82 64.845 23.779 54.365 1.00 0.00 N ATOM 1232 CA ARG A 82 66.266 23.425 54.369 1.00 0.00 C ATOM 1233 C ARG A 82 67.069 24.626 54.870 1.00 0.00 C ATOM 1234 O ARG A 82 67.152 25.651 54.209 1.00 0.00 O ATOM 1235 CB ARG A 82 66.662 23.033 52.938 1.00 0.00 C ATOM 1236 CG ARG A 82 67.949 22.210 52.944 1.00 0.00 C ATOM 1237 CD ARG A 82 67.699 20.738 53.304 1.00 0.00 C ATOM 1238 NE ARG A 82 68.824 19.891 52.881 1.00 0.00 N ATOM 1239 CZ ARG A 82 69.072 18.652 53.256 1.00 0.00 C ATOM 1240 NH1 ARG A 82 68.368 18.033 54.153 1.00 0.00 N ATOM 1241 NH2 ARG A 82 70.048 17.978 52.727 1.00 0.00 N ATOM 0 H ARG A 82 64.711 24.774 54.183 1.00 0.00 H new ATOM 0 HA ARG A 82 66.470 22.583 55.031 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.859 22.459 52.477 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.800 23.930 52.334 1.00 0.00 H new ATOM 0 HG2 ARG A 82 68.418 22.267 51.962 1.00 0.00 H new ATOM 0 HG3 ARG A 82 68.650 22.642 53.658 1.00 0.00 H new ATOM 0 HD2 ARG A 82 67.553 20.643 54.380 1.00 0.00 H new ATOM 0 HD3 ARG A 82 66.781 20.394 52.826 1.00 0.00 H new ATOM 0 HE ARG A 82 69.485 20.308 52.226 1.00 0.00 H new ATOM 0 HH11 ARG A 82 67.583 18.506 54.601 1.00 0.00 H new ATOM 0 HH12 ARG A 82 68.599 17.073 54.410 1.00 0.00 H new ATOM 0 HH21 ARG A 82 70.635 18.407 52.011 1.00 0.00 H new ATOM 0 HH22 ARG A 82 70.228 17.020 53.027 1.00 0.00 H new ATOM 1255 N LEU A 83 67.614 24.543 56.080 1.00 0.00 N ATOM 1256 CA LEU A 83 68.476 25.594 56.609 1.00 0.00 C ATOM 1257 C LEU A 83 69.819 25.621 55.879 1.00 0.00 C ATOM 1258 O LEU A 83 70.385 24.572 55.580 1.00 0.00 O ATOM 1259 CB LEU A 83 68.711 25.477 58.119 1.00 0.00 C ATOM 1260 CG LEU A 83 67.522 25.819 59.023 1.00 0.00 C ATOM 1261 CD1 LEU A 83 66.356 24.829 58.947 1.00 0.00 C ATOM 1262 CD2 LEU A 83 67.990 25.883 60.477 1.00 0.00 C ATOM 0 H LEU A 83 67.473 23.756 56.714 1.00 0.00 H new ATOM 0 HA LEU A 83 67.946 26.531 56.435 1.00 0.00 H new ATOM 0 HB2 LEU A 83 69.024 24.456 58.338 1.00 0.00 H new ATOM 0 HB3 LEU A 83 69.542 26.129 58.387 1.00 0.00 H new ATOM 0 HG LEU A 83 67.150 26.778 58.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 65.561 25.151 59.619 1.00 0.00 H new ATOM 0 HD12 LEU A 83 65.976 24.793 57.926 1.00 0.00 H new ATOM 0 HD13 LEU A 83 66.701 23.838 59.241 1.00 0.00 H new ATOM 0 HD21 LEU A 83 67.145 26.126 61.121 1.00 0.00 H new ATOM 0 HD22 LEU A 83 68.403 24.917 60.769 1.00 0.00 H new ATOM 0 HD23 LEU A 83 68.757 26.651 60.579 1.00 0.00 H new ATOM 1274 N ASP A 84 70.361 26.819 55.700 1.00 0.00 N ATOM 1275 CA ASP A 84 71.627 27.072 54.982 1.00 0.00 C ATOM 1276 C ASP A 84 72.708 27.684 55.892 1.00 0.00 C ATOM 1277 O ASP A 84 73.704 28.248 55.446 1.00 0.00 O ATOM 1278 CB ASP A 84 71.350 27.889 53.714 1.00 0.00 C ATOM 1279 CG ASP A 84 72.466 27.794 52.672 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.975 26.667 52.454 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.741 28.824 52.017 1.00 0.00 O ATOM 0 H ASP A 84 69.929 27.672 56.056 1.00 0.00 H new ATOM 0 HA ASP A 84 72.049 26.118 54.667 1.00 0.00 H new ATOM 0 HB2 ASP A 84 70.416 27.547 53.267 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.208 28.934 53.988 1.00 0.00 H new ATOM 1286 N THR A 85 72.526 27.525 57.208 1.00 0.00 N ATOM 1287 CA THR A 85 73.386 28.023 58.300 1.00 0.00 C ATOM 1288 C THR A 85 74.748 27.306 58.410 1.00 0.00 C ATOM 1289 O THR A 85 75.281 27.092 59.498 1.00 0.00 O ATOM 1290 CB THR A 85 72.582 28.039 59.610 1.00 0.00 C ATOM 1291 OG1 THR A 85 73.268 28.763 60.592 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.220 26.663 60.176 1.00 0.00 C ATOM 0 H THR A 85 71.722 27.011 57.568 1.00 0.00 H new ATOM 0 HA THR A 85 73.674 29.047 58.062 1.00 0.00 H new ATOM 0 HB THR A 85 71.638 28.515 59.344 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.177 28.408 60.685 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.654 26.787 61.100 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.616 26.119 59.450 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.132 26.103 60.381 1.00 0.00 H new ATOM 1300 N SER A 86 75.306 26.930 57.260 1.00 0.00 N ATOM 1301 CA SER A 86 76.594 26.240 57.076 1.00 0.00 C ATOM 1302 C SER A 86 77.664 27.110 56.427 1.00 0.00 C ATOM 1303 O SER A 86 78.855 26.948 56.677 1.00 0.00 O ATOM 1304 CB SER A 86 76.366 24.949 56.272 1.00 0.00 C ATOM 1305 OG SER A 86 77.552 24.193 56.129 1.00 0.00 O ATOM 0 H SER A 86 74.844 27.109 56.369 1.00 0.00 H new ATOM 0 HA SER A 86 76.980 26.000 58.067 1.00 0.00 H new ATOM 0 HB2 SER A 86 75.608 24.343 56.768 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.977 25.201 55.286 1.00 0.00 H new ATOM 0 HG SER A 86 77.362 23.381 55.614 1.00 0.00 H new ATOM 1311 N LEU A 87 77.208 28.119 55.697 1.00 0.00 N ATOM 1312 CA LEU A 87 77.997 28.971 54.794 1.00 0.00 C ATOM 1313 C LEU A 87 78.433 30.299 55.441 1.00 0.00 C ATOM 1314 O LEU A 87 78.770 31.266 54.754 1.00 0.00 O ATOM 1315 CB LEU A 87 77.244 29.173 53.465 1.00 0.00 C ATOM 1316 CG LEU A 87 76.778 27.887 52.761 1.00 0.00 C ATOM 1317 CD1 LEU A 87 76.116 28.238 51.430 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.912 26.903 52.474 1.00 0.00 C ATOM 0 H LEU A 87 76.224 28.386 55.714 1.00 0.00 H new ATOM 0 HA LEU A 87 78.930 28.450 54.578 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.372 29.798 53.654 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.890 29.725 52.783 1.00 0.00 H new ATOM 0 HG LEU A 87 76.081 27.406 53.447 1.00 0.00 H new ATOM 0 HD11 LEU A 87 75.788 27.324 50.935 1.00 0.00 H new ATOM 0 HD12 LEU A 87 75.256 28.882 51.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.832 28.758 50.794 1.00 0.00 H new ATOM 0 HD21 LEU A 87 77.510 26.020 51.977 1.00 0.00 H new ATOM 0 HD22 LEU A 87 78.651 27.378 51.829 1.00 0.00 H new ATOM 0 HD23 LEU A 87 78.384 26.608 53.411 1.00 0.00 H new ATOM 1330 N GLY A 88 78.325 30.372 56.768 1.00 0.00 N ATOM 1331 CA GLY A 88 78.575 31.577 57.584 1.00 0.00 C ATOM 1332 C GLY A 88 77.428 32.603 57.590 1.00 0.00 C ATOM 1333 O GLY A 88 77.438 33.560 58.367 1.00 0.00 O ATOM 0 H GLY A 88 78.051 29.567 57.332 1.00 0.00 H new ATOM 0 HA2 GLY A 88 78.773 31.269 58.611 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.478 32.065 57.218 1.00 0.00 H new ATOM 1337 N CYS A 89 76.419 32.373 56.747 1.00 0.00 N ATOM 1338 CA CYS A 89 75.192 33.156 56.632 1.00 0.00 C ATOM 1339 C CYS A 89 73.994 32.322 57.139 1.00 0.00 C ATOM 1340 O CYS A 89 73.549 31.412 56.438 1.00 0.00 O ATOM 1341 CB CYS A 89 75.045 33.565 55.161 1.00 0.00 C ATOM 1342 SG CYS A 89 73.674 34.735 54.969 1.00 0.00 S ATOM 0 H CYS A 89 76.440 31.592 56.091 1.00 0.00 H new ATOM 0 HA CYS A 89 75.226 34.056 57.246 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.971 34.018 54.808 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.868 32.682 54.547 1.00 0.00 H new ATOM 0 HG CYS A 89 73.564 35.073 53.719 1.00 0.00 H new ATOM 1348 N PRO A 90 73.460 32.567 58.351 1.00 0.00 N ATOM 1349 CA PRO A 90 72.346 31.781 58.873 1.00 0.00 C ATOM 1350 C PRO A 90 71.026 32.148 58.187 1.00 0.00 C ATOM 1351 O PRO A 90 70.626 33.315 58.159 1.00 0.00 O ATOM 1352 CB PRO A 90 72.306 32.056 60.374 1.00 0.00 C ATOM 1353 CG PRO A 90 72.929 33.447 60.498 1.00 0.00 C ATOM 1354 CD PRO A 90 73.973 33.457 59.379 1.00 0.00 C ATOM 0 HA PRO A 90 72.484 30.718 58.675 1.00 0.00 H new ATOM 0 HB2 PRO A 90 71.286 32.037 60.759 1.00 0.00 H new ATOM 0 HB3 PRO A 90 72.872 31.311 60.934 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.187 34.235 60.365 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.384 33.600 61.476 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.117 34.464 58.988 1.00 0.00 H new ATOM 0 HD3 PRO A 90 74.941 33.115 59.745 1.00 0.00 H new ATOM 1362 N ARG A 91 70.354 31.128 57.644 1.00 0.00 N ATOM 1363 CA ARG A 91 69.120 31.186 56.828 1.00 0.00 C ATOM 1364 C ARG A 91 68.286 29.913 56.977 1.00 0.00 C ATOM 1365 O ARG A 91 68.816 28.834 57.250 1.00 0.00 O ATOM 1366 CB ARG A 91 69.464 31.344 55.338 1.00 0.00 C ATOM 1367 CG ARG A 91 70.138 32.672 54.973 1.00 0.00 C ATOM 1368 CD ARG A 91 69.246 33.846 55.397 1.00 0.00 C ATOM 1369 NE ARG A 91 69.763 35.128 54.893 1.00 0.00 N ATOM 1370 CZ ARG A 91 70.493 36.000 55.563 1.00 0.00 C ATOM 1371 NH1 ARG A 91 70.858 35.827 56.804 1.00 0.00 N ATOM 1372 NH2 ARG A 91 70.879 37.084 54.957 1.00 0.00 N ATOM 0 H ARG A 91 70.675 30.168 57.767 1.00 0.00 H new ATOM 0 HA ARG A 91 68.549 32.043 57.185 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.120 30.526 55.042 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.548 31.245 54.755 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.108 32.745 55.465 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.322 32.713 53.899 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.234 33.689 55.023 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.182 33.881 56.485 1.00 0.00 H new ATOM 0 HE ARG A 91 69.534 35.367 53.928 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.578 34.984 57.305 1.00 0.00 H new ATOM 0 HH12 ARG A 91 71.423 36.535 57.273 1.00 0.00 H new ATOM 0 HH21 ARG A 91 70.617 37.246 53.985 1.00 0.00 H new ATOM 0 HH22 ARG A 91 71.444 37.773 55.454 1.00 0.00 H new ATOM 1386 N MET A 92 66.997 30.051 56.695 1.00 0.00 N ATOM 1387 CA MET A 92 66.002 29.002 56.503 1.00 0.00 C ATOM 1388 C MET A 92 65.520 29.088 55.053 1.00 0.00 C ATOM 1389 O MET A 92 64.700 29.935 54.730 1.00 0.00 O ATOM 1390 CB MET A 92 64.845 29.228 57.485 1.00 0.00 C ATOM 1391 CG MET A 92 64.886 28.278 58.679 1.00 0.00 C ATOM 1392 SD MET A 92 63.407 28.303 59.737 1.00 0.00 S ATOM 1393 CE MET A 92 63.463 30.006 60.370 1.00 0.00 C ATOM 0 H MET A 92 66.585 30.978 56.585 1.00 0.00 H new ATOM 0 HA MET A 92 66.417 28.012 56.692 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.876 30.257 57.844 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.899 29.102 56.959 1.00 0.00 H new ATOM 0 HG2 MET A 92 65.033 27.263 58.311 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.755 28.524 59.290 1.00 0.00 H new ATOM 0 HE1 MET A 92 62.658 30.153 61.091 1.00 0.00 H new ATOM 0 HE2 MET A 92 64.422 30.182 60.856 1.00 0.00 H new ATOM 0 HE3 MET A 92 63.342 30.706 59.543 1.00 0.00 H new ATOM 1403 N GLU A 93 66.022 28.267 54.142 1.00 0.00 N ATOM 1404 CA GLU A 93 65.492 28.245 52.779 1.00 0.00 C ATOM 1405 C GLU A 93 64.240 27.349 52.743 1.00 0.00 C ATOM 1406 O GLU A 93 64.117 26.398 53.521 1.00 0.00 O ATOM 1407 CB GLU A 93 66.532 27.798 51.757 1.00 0.00 C ATOM 1408 CG GLU A 93 67.963 28.356 51.870 1.00 0.00 C ATOM 1409 CD GLU A 93 68.932 27.690 50.866 1.00 0.00 C ATOM 1410 OE1 GLU A 93 69.223 26.472 50.983 1.00 0.00 O ATOM 1411 OE2 GLU A 93 69.432 28.392 49.956 1.00 0.00 O ATOM 0 H GLU A 93 66.786 27.614 54.314 1.00 0.00 H new ATOM 0 HA GLU A 93 65.218 29.262 52.497 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.596 26.711 51.803 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.154 28.053 50.767 1.00 0.00 H new ATOM 0 HG2 GLU A 93 67.946 29.432 51.696 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.332 28.203 52.884 1.00 0.00 H new ATOM 1418 N VAL A 94 63.281 27.661 51.874 1.00 0.00 N ATOM 1419 CA VAL A 94 61.930 27.082 51.891 1.00 0.00 C ATOM 1420 C VAL A 94 61.413 26.736 50.492 1.00 0.00 C ATOM 1421 O VAL A 94 61.681 27.420 49.502 1.00 0.00 O ATOM 1422 CB VAL A 94 60.923 27.976 52.644 1.00 0.00 C ATOM 1423 CG1 VAL A 94 61.354 28.270 54.087 1.00 0.00 C ATOM 1424 CG2 VAL A 94 60.642 29.323 51.964 1.00 0.00 C ATOM 0 H VAL A 94 63.419 28.336 51.122 1.00 0.00 H new ATOM 0 HA VAL A 94 62.019 26.144 52.440 1.00 0.00 H new ATOM 0 HB VAL A 94 60.010 27.380 52.633 1.00 0.00 H new ATOM 0 HG11 VAL A 94 60.608 28.903 54.568 1.00 0.00 H new ATOM 0 HG12 VAL A 94 61.445 27.334 54.638 1.00 0.00 H new ATOM 0 HG13 VAL A 94 62.316 28.783 54.082 1.00 0.00 H new ATOM 0 HG21 VAL A 94 59.924 29.888 52.559 1.00 0.00 H new ATOM 0 HG22 VAL A 94 61.570 29.889 51.880 1.00 0.00 H new ATOM 0 HG23 VAL A 94 60.232 29.150 50.969 1.00 0.00 H new ATOM 1434 N VAL A 95 60.642 25.656 50.415 1.00 0.00 N ATOM 1435 CA VAL A 95 60.054 25.127 49.170 1.00 0.00 C ATOM 1436 C VAL A 95 58.628 24.654 49.425 1.00 0.00 C ATOM 1437 O VAL A 95 58.277 24.273 50.532 1.00 0.00 O ATOM 1438 CB VAL A 95 60.875 23.955 48.595 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.172 24.457 47.953 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.173 22.831 49.585 1.00 0.00 C ATOM 0 H VAL A 95 60.397 25.102 51.236 1.00 0.00 H new ATOM 0 HA VAL A 95 60.059 25.938 48.442 1.00 0.00 H new ATOM 0 HB VAL A 95 60.232 23.511 47.835 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.732 23.611 47.555 1.00 0.00 H new ATOM 0 HG12 VAL A 95 61.934 25.147 47.144 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.774 24.971 48.703 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.754 22.054 49.089 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.742 23.228 50.426 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.236 22.408 49.948 1.00 0.00 H new ATOM 1450 N CYS A 96 57.821 24.606 48.379 1.00 0.00 N ATOM 1451 CA CYS A 96 56.581 23.931 48.323 1.00 0.00 C ATOM 1452 C CYS A 96 56.849 22.437 48.081 1.00 0.00 C ATOM 1453 O CYS A 96 57.877 21.993 47.550 1.00 0.00 O ATOM 1454 CB CYS A 96 55.818 24.656 47.217 1.00 0.00 C ATOM 1455 SG CYS A 96 54.187 23.956 46.937 1.00 0.00 S ATOM 0 H CYS A 96 58.049 25.074 47.502 1.00 0.00 H new ATOM 0 HA CYS A 96 55.983 23.952 49.234 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.718 25.709 47.479 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.393 24.610 46.292 1.00 0.00 H new ATOM 0 HG CYS A 96 53.845 24.136 45.696 1.00 0.00 H new ATOM 1460 N LYS A 97 55.854 21.705 48.524 1.00 0.00 N ATOM 1461 CA LYS A 97 55.642 20.264 48.385 1.00 0.00 C ATOM 1462 C LYS A 97 54.420 19.906 47.535 1.00 0.00 C ATOM 1463 O LYS A 97 54.367 18.808 46.991 1.00 0.00 O ATOM 1464 CB LYS A 97 55.651 19.616 49.769 1.00 0.00 C ATOM 1465 CG LYS A 97 55.888 18.110 49.678 1.00 0.00 C ATOM 1466 CD LYS A 97 57.189 17.760 48.949 1.00 0.00 C ATOM 1467 CE LYS A 97 57.688 16.344 49.267 1.00 0.00 C ATOM 1468 NZ LYS A 97 56.747 15.312 48.773 1.00 0.00 N ATOM 0 H LYS A 97 55.091 22.137 49.044 1.00 0.00 H new ATOM 0 HA LYS A 97 56.471 19.845 47.815 1.00 0.00 H new ATOM 0 HB2 LYS A 97 56.429 20.072 50.381 1.00 0.00 H new ATOM 0 HB3 LYS A 97 54.701 19.807 50.268 1.00 0.00 H new ATOM 0 HG2 LYS A 97 55.915 17.689 50.683 1.00 0.00 H new ATOM 0 HG3 LYS A 97 55.049 17.645 49.160 1.00 0.00 H new ATOM 0 HD2 LYS A 97 57.034 17.852 47.874 1.00 0.00 H new ATOM 0 HD3 LYS A 97 57.959 18.481 49.223 1.00 0.00 H new ATOM 0 HE2 LYS A 97 58.667 16.192 48.813 1.00 0.00 H new ATOM 0 HE3 LYS A 97 57.816 16.236 50.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 57.115 14.367 49.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 55.820 15.443 49.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 56.645 15.400 47.742 1.00 0.00 H new ATOM 1482 N GLN A 98 53.501 20.849 47.337 1.00 0.00 N ATOM 1483 CA GLN A 98 52.420 20.735 46.368 1.00 0.00 C ATOM 1484 C GLN A 98 52.942 20.579 44.933 1.00 0.00 C ATOM 1485 O GLN A 98 52.423 19.753 44.176 1.00 0.00 O ATOM 1486 CB GLN A 98 51.459 21.924 46.429 1.00 0.00 C ATOM 1487 CG GLN A 98 50.958 22.275 47.826 1.00 0.00 C ATOM 1488 CD GLN A 98 49.706 23.130 47.719 1.00 0.00 C ATOM 1489 OE1 GLN A 98 49.614 24.079 46.953 1.00 0.00 O ATOM 1490 NE2 GLN A 98 48.655 22.766 48.404 1.00 0.00 N ATOM 0 H GLN A 98 53.489 21.727 47.856 1.00 0.00 H new ATOM 0 HA GLN A 98 51.876 19.832 46.643 1.00 0.00 H new ATOM 0 HB2 GLN A 98 51.957 22.797 46.008 1.00 0.00 H new ATOM 0 HB3 GLN A 98 50.599 21.710 45.794 1.00 0.00 H new ATOM 0 HG2 GLN A 98 50.742 21.365 48.385 1.00 0.00 H new ATOM 0 HG3 GLN A 98 51.731 22.811 48.376 1.00 0.00 H new ATOM 0 HE21 GLN A 98 48.714 21.977 49.047 1.00 0.00 H new ATOM 0 HE22 GLN A 98 47.775 23.271 48.295 1.00 0.00 H new ATOM 1499 N CYS A 99 53.976 21.353 44.603 1.00 0.00 N ATOM 1500 CA CYS A 99 54.613 21.482 43.307 1.00 0.00 C ATOM 1501 C CYS A 99 56.041 20.891 43.264 1.00 0.00 C ATOM 1502 O CYS A 99 56.554 20.594 42.183 1.00 0.00 O ATOM 1503 CB CYS A 99 54.600 22.977 42.961 1.00 0.00 C ATOM 1504 SG CYS A 99 54.622 24.150 44.348 1.00 0.00 S ATOM 0 H CYS A 99 54.421 21.952 45.298 1.00 0.00 H new ATOM 0 HA CYS A 99 54.063 20.901 42.567 1.00 0.00 H new ATOM 0 HB2 CYS A 99 55.463 23.185 42.329 1.00 0.00 H new ATOM 0 HB3 CYS A 99 53.711 23.178 42.363 1.00 0.00 H new ATOM 0 HG CYS A 99 54.625 23.495 45.471 1.00 0.00 H new ATOM 1509 N GLU A 100 56.669 20.740 44.435 1.00 0.00 N ATOM 1510 CA GLU A 100 58.102 20.554 44.622 1.00 0.00 C ATOM 1511 C GLU A 100 58.911 21.782 44.179 1.00 0.00 C ATOM 1512 O GLU A 100 58.931 22.188 43.015 1.00 0.00 O ATOM 1513 CB GLU A 100 58.613 19.222 44.042 1.00 0.00 C ATOM 1514 CG GLU A 100 59.938 18.856 44.703 1.00 0.00 C ATOM 1515 CD GLU A 100 60.581 17.606 44.096 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.069 17.650 42.939 1.00 0.00 O ATOM 1517 OE2 GLU A 100 60.645 16.574 44.804 1.00 0.00 O ATOM 0 H GLU A 100 56.161 20.745 45.319 1.00 0.00 H new ATOM 0 HA GLU A 100 58.271 20.470 45.696 1.00 0.00 H new ATOM 0 HB2 GLU A 100 57.880 18.434 44.212 1.00 0.00 H new ATOM 0 HB3 GLU A 100 58.744 19.309 42.963 1.00 0.00 H new ATOM 0 HG2 GLU A 100 60.628 19.695 44.611 1.00 0.00 H new ATOM 0 HG3 GLU A 100 59.774 18.693 45.768 1.00 0.00 H new ATOM 1524 N ALA A 101 59.674 22.294 45.142 1.00 0.00 N ATOM 1525 CA ALA A 101 60.779 23.240 44.973 1.00 0.00 C ATOM 1526 C ALA A 101 60.373 24.702 44.685 1.00 0.00 C ATOM 1527 O ALA A 101 60.486 25.182 43.558 1.00 0.00 O ATOM 1528 CB ALA A 101 61.803 22.671 43.988 1.00 0.00 C ATOM 0 H ALA A 101 59.530 22.046 46.121 1.00 0.00 H new ATOM 0 HA ALA A 101 61.255 23.337 45.949 1.00 0.00 H new ATOM 0 HB1 ALA A 101 62.623 23.379 43.866 1.00 0.00 H new ATOM 0 HB2 ALA A 101 62.192 21.728 44.372 1.00 0.00 H new ATOM 0 HB3 ALA A 101 61.324 22.500 43.024 1.00 0.00 H new ATOM 1534 N HIS A 102 59.957 25.428 45.736 1.00 0.00 N ATOM 1535 CA HIS A 102 59.598 26.854 45.660 1.00 0.00 C ATOM 1536 C HIS A 102 60.729 27.895 45.795 1.00 0.00 C ATOM 1537 O HIS A 102 60.636 29.017 45.300 1.00 0.00 O ATOM 1538 CB HIS A 102 58.329 27.124 46.480 1.00 0.00 C ATOM 1539 CG HIS A 102 57.468 28.285 46.063 1.00 0.00 C ATOM 1540 ND1 HIS A 102 56.274 28.219 45.375 1.00 0.00 N ATOM 1541 CD2 HIS A 102 57.604 29.573 46.499 1.00 0.00 C ATOM 1542 CE1 HIS A 102 55.725 29.443 45.381 1.00 0.00 C ATOM 1543 NE2 HIS A 102 56.503 30.310 46.057 1.00 0.00 N ATOM 0 H HIS A 102 59.859 25.037 46.673 1.00 0.00 H new ATOM 0 HA HIS A 102 59.364 27.038 44.611 1.00 0.00 H new ATOM 0 HB2 HIS A 102 57.715 26.224 46.456 1.00 0.00 H new ATOM 0 HB3 HIS A 102 58.625 27.280 47.517 1.00 0.00 H new ATOM 0 HD1 HIS A 102 55.878 27.386 44.939 1.00 0.00 H new ATOM 0 HD2 HIS A 102 58.425 29.957 47.087 1.00 0.00 H new ATOM 0 HE1 HIS A 102 54.788 29.698 44.909 1.00 0.00 H new ATOM 1551 N LEU A 103 61.840 27.479 46.395 1.00 0.00 N ATOM 1552 CA LEU A 103 63.178 28.099 46.373 1.00 0.00 C ATOM 1553 C LEU A 103 63.241 29.591 46.774 1.00 0.00 C ATOM 1554 O LEU A 103 64.097 30.377 46.346 1.00 0.00 O ATOM 1555 CB LEU A 103 63.836 27.809 45.024 1.00 0.00 C ATOM 1556 CG LEU A 103 65.355 27.782 45.128 1.00 0.00 C ATOM 1557 CD1 LEU A 103 65.892 26.414 45.546 1.00 0.00 C ATOM 1558 CD2 LEU A 103 65.920 28.213 43.793 1.00 0.00 C ATOM 0 H LEU A 103 61.836 26.629 46.959 1.00 0.00 H new ATOM 0 HA LEU A 103 63.752 27.632 47.173 1.00 0.00 H new ATOM 0 HB2 LEU A 103 63.481 26.851 44.645 1.00 0.00 H new ATOM 0 HB3 LEU A 103 63.535 28.568 44.302 1.00 0.00 H new ATOM 0 HG LEU A 103 65.671 28.469 45.913 1.00 0.00 H new ATOM 0 HD11 LEU A 103 66.980 26.452 45.604 1.00 0.00 H new ATOM 0 HD12 LEU A 103 65.486 26.146 46.521 1.00 0.00 H new ATOM 0 HD13 LEU A 103 65.594 25.666 44.811 1.00 0.00 H new ATOM 0 HD21 LEU A 103 67.009 28.203 43.838 1.00 0.00 H new ATOM 0 HD22 LEU A 103 65.583 27.526 43.016 1.00 0.00 H new ATOM 0 HD23 LEU A 103 65.576 29.221 43.561 1.00 0.00 H new ATOM 1570 N GLY A 104 62.287 29.971 47.604 1.00 0.00 N ATOM 1571 CA GLY A 104 62.343 31.142 48.449 1.00 0.00 C ATOM 1572 C GLY A 104 63.137 30.832 49.707 1.00 0.00 C ATOM 1573 O GLY A 104 63.654 29.735 49.923 1.00 0.00 O ATOM 0 H GLY A 104 61.418 29.448 47.709 1.00 0.00 H new ATOM 0 HA2 GLY A 104 62.806 31.969 47.910 1.00 0.00 H new ATOM 0 HA3 GLY A 104 61.334 31.459 48.714 1.00 0.00 H new ATOM 1577 N HIS A 105 63.240 31.835 50.552 1.00 0.00 N ATOM 1578 CA HIS A 105 64.052 31.784 51.743 1.00 0.00 C ATOM 1579 C HIS A 105 63.602 32.749 52.819 1.00 0.00 C ATOM 1580 O HIS A 105 62.822 33.676 52.614 1.00 0.00 O ATOM 1581 CB HIS A 105 65.519 31.993 51.364 1.00 0.00 C ATOM 1582 CG HIS A 105 65.781 32.966 50.246 1.00 0.00 C ATOM 1583 ND1 HIS A 105 65.140 34.156 49.998 1.00 0.00 N ATOM 1584 CD2 HIS A 105 66.631 32.741 49.204 1.00 0.00 C ATOM 1585 CE1 HIS A 105 65.597 34.643 48.837 1.00 0.00 C ATOM 1586 NE2 HIS A 105 66.517 33.816 48.307 1.00 0.00 N ATOM 0 H HIS A 105 62.753 32.722 50.426 1.00 0.00 H new ATOM 0 HA HIS A 105 63.931 30.795 52.186 1.00 0.00 H new ATOM 0 HB2 HIS A 105 66.057 32.334 52.249 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.942 31.028 51.085 1.00 0.00 H new ATOM 0 HD2 HIS A 105 67.279 31.885 49.088 1.00 0.00 H new ATOM 0 HE1 HIS A 105 65.272 35.570 48.389 1.00 0.00 H new ATOM 0 HE2 HIS A 105 67.027 33.944 47.433 1.00 0.00 H new ATOM 1594 N VAL A 106 64.096 32.459 54.006 1.00 0.00 N ATOM 1595 CA VAL A 106 63.658 33.076 55.256 1.00 0.00 C ATOM 1596 C VAL A 106 64.884 33.373 56.102 1.00 0.00 C ATOM 1597 O VAL A 106 65.856 32.610 56.143 1.00 0.00 O ATOM 1598 CB VAL A 106 62.643 32.189 56.004 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.064 32.850 57.261 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.467 31.778 55.113 1.00 0.00 C ATOM 0 H VAL A 106 64.835 31.768 54.138 1.00 0.00 H new ATOM 0 HA VAL A 106 63.137 34.008 55.039 1.00 0.00 H new ATOM 0 HB VAL A 106 63.221 31.313 56.298 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.358 32.170 57.737 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.872 33.079 57.956 1.00 0.00 H new ATOM 0 HG13 VAL A 106 61.551 33.771 56.984 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.779 31.154 55.684 1.00 0.00 H new ATOM 0 HG22 VAL A 106 60.945 32.669 54.765 1.00 0.00 H new ATOM 0 HG23 VAL A 106 61.839 31.217 54.255 1.00 0.00 H new ATOM 1610 N PHE A 107 64.844 34.534 56.734 1.00 0.00 N ATOM 1611 CA PHE A 107 65.967 35.081 57.501 1.00 0.00 C ATOM 1612 C PHE A 107 65.618 35.592 58.915 1.00 0.00 C ATOM 1613 O PHE A 107 64.556 36.196 59.109 1.00 0.00 O ATOM 1614 CB PHE A 107 66.712 36.139 56.665 1.00 0.00 C ATOM 1615 CG PHE A 107 65.961 37.417 56.319 1.00 0.00 C ATOM 1616 CD1 PHE A 107 65.054 37.440 55.242 1.00 0.00 C ATOM 1617 CD2 PHE A 107 66.226 38.610 57.020 1.00 0.00 C ATOM 1618 CE1 PHE A 107 64.423 38.641 54.867 1.00 0.00 C ATOM 1619 CE2 PHE A 107 65.601 39.812 56.642 1.00 0.00 C ATOM 1620 CZ PHE A 107 64.708 39.832 55.557 1.00 0.00 C ATOM 0 H PHE A 107 64.021 35.137 56.733 1.00 0.00 H new ATOM 0 HA PHE A 107 66.631 34.239 57.697 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.618 36.417 57.204 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.026 35.671 55.732 1.00 0.00 H new ATOM 0 HD1 PHE A 107 64.841 36.530 54.700 1.00 0.00 H new ATOM 0 HD2 PHE A 107 66.913 38.602 57.853 1.00 0.00 H new ATOM 0 HE1 PHE A 107 63.719 38.647 54.048 1.00 0.00 H new ATOM 0 HE2 PHE A 107 65.808 40.721 57.187 1.00 0.00 H new ATOM 0 HZ PHE A 107 64.243 40.759 55.255 1.00 0.00 H new ATOM 1630 N PRO A 108 66.538 35.412 59.892 1.00 0.00 N ATOM 1631 CA PRO A 108 66.517 36.144 61.154 1.00 0.00 C ATOM 1632 C PRO A 108 66.863 37.615 60.915 1.00 0.00 C ATOM 1633 O PRO A 108 67.748 37.931 60.119 1.00 0.00 O ATOM 1634 CB PRO A 108 67.582 35.487 62.041 1.00 0.00 C ATOM 1635 CG PRO A 108 68.610 34.979 61.032 1.00 0.00 C ATOM 1636 CD PRO A 108 67.759 34.608 59.817 1.00 0.00 C ATOM 0 HA PRO A 108 65.532 36.111 61.620 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.021 36.200 62.739 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.165 34.674 62.636 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.346 35.745 60.788 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.159 34.119 61.416 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.298 34.810 58.892 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.522 33.544 59.822 1.00 0.00 H new ATOM 1644 N ASP A 109 66.211 38.511 61.646 1.00 0.00 N ATOM 1645 CA ASP A 109 66.405 39.963 61.558 1.00 0.00 C ATOM 1646 C ASP A 109 67.138 40.579 62.757 1.00 0.00 C ATOM 1647 O ASP A 109 67.459 41.768 62.758 1.00 0.00 O ATOM 1648 CB ASP A 109 65.042 40.617 61.300 1.00 0.00 C ATOM 1649 CG ASP A 109 64.063 40.481 62.476 1.00 0.00 C ATOM 1650 OD1 ASP A 109 64.079 39.428 63.154 1.00 0.00 O ATOM 1651 OD2 ASP A 109 63.295 41.450 62.677 1.00 0.00 O ATOM 0 H ASP A 109 65.511 38.245 62.338 1.00 0.00 H new ATOM 0 HA ASP A 109 67.078 40.163 60.724 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.191 41.675 61.082 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.595 40.169 60.412 1.00 0.00 H new ATOM 1656 N GLY A 110 67.451 39.754 63.752 1.00 0.00 N ATOM 1657 CA GLY A 110 68.091 40.135 65.017 1.00 0.00 C ATOM 1658 C GLY A 110 67.413 39.551 66.268 1.00 0.00 C ATOM 1659 O GLY A 110 68.057 38.780 66.987 1.00 0.00 O ATOM 0 H GLY A 110 67.258 38.754 63.700 1.00 0.00 H new ATOM 0 HA2 GLY A 110 69.132 39.811 64.997 1.00 0.00 H new ATOM 0 HA3 GLY A 110 68.097 41.222 65.095 1.00 0.00 H new ATOM 1663 N PRO A 111 66.151 39.917 66.575 1.00 0.00 N ATOM 1664 CA PRO A 111 65.404 39.435 67.745 1.00 0.00 C ATOM 1665 C PRO A 111 65.032 37.935 67.693 1.00 0.00 C ATOM 1666 O PRO A 111 65.475 37.164 66.837 1.00 0.00 O ATOM 1667 CB PRO A 111 64.168 40.356 67.817 1.00 0.00 C ATOM 1668 CG PRO A 111 63.933 40.750 66.365 1.00 0.00 C ATOM 1669 CD PRO A 111 65.360 40.916 65.863 1.00 0.00 C ATOM 0 HA PRO A 111 66.017 39.487 68.645 1.00 0.00 H new ATOM 0 HB2 PRO A 111 63.306 39.838 68.237 1.00 0.00 H new ATOM 0 HB3 PRO A 111 64.353 41.228 68.445 1.00 0.00 H new ATOM 0 HG2 PRO A 111 63.391 39.982 65.814 1.00 0.00 H new ATOM 0 HG3 PRO A 111 63.357 41.671 66.278 1.00 0.00 H new ATOM 0 HD2 PRO A 111 65.416 40.763 64.785 1.00 0.00 H new ATOM 0 HD3 PRO A 111 65.730 41.922 66.062 1.00 0.00 H new ATOM 1677 N LYS A 112 64.191 37.520 68.655 1.00 0.00 N ATOM 1678 CA LYS A 112 63.511 36.212 68.700 1.00 0.00 C ATOM 1679 C LYS A 112 62.806 35.884 67.374 1.00 0.00 C ATOM 1680 O LYS A 112 62.481 36.799 66.620 1.00 0.00 O ATOM 1681 CB LYS A 112 62.516 36.196 69.884 1.00 0.00 C ATOM 1682 CG LYS A 112 63.067 35.477 71.126 1.00 0.00 C ATOM 1683 CD LYS A 112 64.295 36.121 71.781 1.00 0.00 C ATOM 1684 CE LYS A 112 63.940 37.436 72.487 1.00 0.00 C ATOM 1685 NZ LYS A 112 64.976 37.820 73.474 1.00 0.00 N ATOM 0 H LYS A 112 63.956 38.108 69.454 1.00 0.00 H new ATOM 0 HA LYS A 112 64.261 35.436 68.849 1.00 0.00 H new ATOM 0 HB2 LYS A 112 62.260 37.222 70.149 1.00 0.00 H new ATOM 0 HB3 LYS A 112 61.593 35.708 69.569 1.00 0.00 H new ATOM 0 HG2 LYS A 112 62.272 35.416 71.870 1.00 0.00 H new ATOM 0 HG3 LYS A 112 63.322 34.455 70.847 1.00 0.00 H new ATOM 0 HD2 LYS A 112 64.729 35.427 72.501 1.00 0.00 H new ATOM 0 HD3 LYS A 112 65.055 36.309 71.023 1.00 0.00 H new ATOM 0 HE2 LYS A 112 63.829 38.229 71.747 1.00 0.00 H new ATOM 0 HE3 LYS A 112 62.978 37.332 72.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 64.704 38.713 73.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 65.064 37.074 74.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 65.888 37.943 72.990 1.00 0.00 H new ATOM 1699 N PRO A 113 62.500 34.598 67.099 1.00 0.00 N ATOM 1700 CA PRO A 113 61.896 34.178 65.832 1.00 0.00 C ATOM 1701 C PRO A 113 60.511 34.788 65.544 1.00 0.00 C ATOM 1702 O PRO A 113 59.987 34.650 64.439 1.00 0.00 O ATOM 1703 CB PRO A 113 61.889 32.645 65.850 1.00 0.00 C ATOM 1704 CG PRO A 113 61.961 32.298 67.335 1.00 0.00 C ATOM 1705 CD PRO A 113 62.795 33.432 67.918 1.00 0.00 C ATOM 0 HA PRO A 113 62.488 34.560 65.001 1.00 0.00 H new ATOM 0 HB2 PRO A 113 60.987 32.244 65.389 1.00 0.00 H new ATOM 0 HB3 PRO A 113 62.737 32.235 65.302 1.00 0.00 H new ATOM 0 HG2 PRO A 113 60.970 32.254 67.787 1.00 0.00 H new ATOM 0 HG3 PRO A 113 62.430 31.328 67.499 1.00 0.00 H new ATOM 0 HD2 PRO A 113 62.537 33.611 68.962 1.00 0.00 H new ATOM 0 HD3 PRO A 113 63.858 33.192 67.889 1.00 0.00 H new ATOM 1713 N THR A 114 59.950 35.533 66.496 1.00 0.00 N ATOM 1714 CA THR A 114 58.807 36.445 66.314 1.00 0.00 C ATOM 1715 C THR A 114 59.091 37.652 65.397 1.00 0.00 C ATOM 1716 O THR A 114 58.151 38.350 65.014 1.00 0.00 O ATOM 1717 CB THR A 114 58.331 36.945 67.689 1.00 0.00 C ATOM 1718 OG1 THR A 114 59.424 37.200 68.548 1.00 0.00 O ATOM 1719 CG2 THR A 114 57.471 35.888 68.385 1.00 0.00 C ATOM 0 H THR A 114 60.289 35.521 67.458 1.00 0.00 H new ATOM 0 HA THR A 114 58.034 35.864 65.812 1.00 0.00 H new ATOM 0 HB THR A 114 57.763 37.857 67.505 1.00 0.00 H new ATOM 0 HG1 THR A 114 59.092 37.518 69.414 1.00 0.00 H new ATOM 0 HG21 THR A 114 57.146 36.264 69.355 1.00 0.00 H new ATOM 0 HG22 THR A 114 56.598 35.667 67.771 1.00 0.00 H new ATOM 0 HG23 THR A 114 58.055 34.979 68.526 1.00 0.00 H new ATOM 1727 N GLY A 115 60.352 37.908 65.029 1.00 0.00 N ATOM 1728 CA GLY A 115 60.773 38.908 64.036 1.00 0.00 C ATOM 1729 C GLY A 115 61.110 38.377 62.633 1.00 0.00 C ATOM 1730 O GLY A 115 61.274 39.174 61.710 1.00 0.00 O ATOM 0 H GLY A 115 61.142 37.403 65.431 1.00 0.00 H new ATOM 0 HA2 GLY A 115 59.979 39.649 63.940 1.00 0.00 H new ATOM 0 HA3 GLY A 115 61.649 39.428 64.424 1.00 0.00 H new ATOM 1734 N GLN A 116 61.183 37.052 62.455 1.00 0.00 N ATOM 1735 CA GLN A 116 61.660 36.390 61.229 1.00 0.00 C ATOM 1736 C GLN A 116 60.882 36.812 59.977 1.00 0.00 C ATOM 1737 O GLN A 116 59.666 37.015 60.011 1.00 0.00 O ATOM 1738 CB GLN A 116 61.587 34.865 61.383 1.00 0.00 C ATOM 1739 CG GLN A 116 62.594 34.314 62.405 1.00 0.00 C ATOM 1740 CD GLN A 116 63.851 33.653 61.848 1.00 0.00 C ATOM 1741 OE1 GLN A 116 63.966 33.244 60.703 1.00 0.00 O ATOM 1742 NE2 GLN A 116 64.850 33.469 62.679 1.00 0.00 N ATOM 0 H GLN A 116 60.904 36.390 63.179 1.00 0.00 H new ATOM 0 HA GLN A 116 62.694 36.707 61.092 1.00 0.00 H new ATOM 0 HB2 GLN A 116 60.579 34.584 61.688 1.00 0.00 H new ATOM 0 HB3 GLN A 116 61.769 34.399 60.415 1.00 0.00 H new ATOM 0 HG2 GLN A 116 62.901 35.134 63.054 1.00 0.00 H new ATOM 0 HG3 GLN A 116 62.078 33.587 63.032 1.00 0.00 H new ATOM 0 HE21 GLN A 116 64.781 33.801 63.641 1.00 0.00 H new ATOM 0 HE22 GLN A 116 65.696 32.994 62.363 1.00 0.00 H new ATOM 1751 N ARG A 117 61.596 36.930 58.851 1.00 0.00 N ATOM 1752 CA ARG A 117 61.100 37.579 57.635 1.00 0.00 C ATOM 1753 C ARG A 117 61.317 36.677 56.430 1.00 0.00 C ATOM 1754 O ARG A 117 62.389 36.106 56.234 1.00 0.00 O ATOM 1755 CB ARG A 117 61.762 38.956 57.456 1.00 0.00 C ATOM 1756 CG ARG A 117 61.722 39.797 58.742 1.00 0.00 C ATOM 1757 CD ARG A 117 62.171 41.242 58.530 1.00 0.00 C ATOM 1758 NE ARG A 117 62.330 41.942 59.819 1.00 0.00 N ATOM 1759 CZ ARG A 117 62.711 43.194 59.981 1.00 0.00 C ATOM 1760 NH1 ARG A 117 62.850 43.999 58.968 1.00 0.00 N ATOM 1761 NH2 ARG A 117 62.973 43.655 61.164 1.00 0.00 N ATOM 0 H ARG A 117 62.547 36.572 58.759 1.00 0.00 H new ATOM 0 HA ARG A 117 60.027 37.745 57.728 1.00 0.00 H new ATOM 0 HB2 ARG A 117 62.798 38.820 57.146 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.258 39.497 56.655 1.00 0.00 H new ATOM 0 HG2 ARG A 117 60.707 39.793 59.140 1.00 0.00 H new ATOM 0 HG3 ARG A 117 62.360 39.331 59.493 1.00 0.00 H new ATOM 0 HD2 ARG A 117 63.115 41.257 57.985 1.00 0.00 H new ATOM 0 HD3 ARG A 117 61.440 41.767 57.915 1.00 0.00 H new ATOM 0 HE ARG A 117 62.126 41.408 60.664 1.00 0.00 H new ATOM 0 HH11 ARG A 117 62.663 43.666 58.022 1.00 0.00 H new ATOM 0 HH12 ARG A 117 63.146 44.963 59.120 1.00 0.00 H new ATOM 0 HH21 ARG A 117 62.885 43.048 61.979 1.00 0.00 H new ATOM 0 HH22 ARG A 117 63.267 44.625 61.280 1.00 0.00 H new ATOM 1775 N PHE A 118 60.275 36.566 55.622 1.00 0.00 N ATOM 1776 CA PHE A 118 60.210 35.673 54.472 1.00 0.00 C ATOM 1777 C PHE A 118 60.367 36.475 53.174 1.00 0.00 C ATOM 1778 O PHE A 118 59.679 37.478 52.954 1.00 0.00 O ATOM 1779 CB PHE A 118 58.906 34.859 54.470 1.00 0.00 C ATOM 1780 CG PHE A 118 58.458 34.191 55.770 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.012 34.955 56.870 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.393 32.786 55.852 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.568 34.328 58.047 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.946 32.155 57.026 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.540 32.927 58.127 1.00 0.00 C ATOM 0 H PHE A 118 59.423 37.112 55.751 1.00 0.00 H new ATOM 0 HA PHE A 118 61.033 34.962 54.541 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.103 35.521 54.144 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.003 34.080 53.714 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.012 36.033 56.807 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.690 32.187 55.004 1.00 0.00 H new ATOM 0 HE1 PHE A 118 57.249 34.924 58.889 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.915 31.077 57.081 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.207 32.443 59.033 1.00 0.00 H new ATOM 1795 N CYS A 119 61.282 36.035 52.313 1.00 0.00 N ATOM 1796 CA CYS A 119 61.582 36.671 51.026 1.00 0.00 C ATOM 1797 C CYS A 119 61.608 35.651 49.871 1.00 0.00 C ATOM 1798 O CYS A 119 62.278 34.617 49.940 1.00 0.00 O ATOM 1799 CB CYS A 119 62.851 37.519 51.163 1.00 0.00 C ATOM 1800 SG CYS A 119 64.293 36.595 51.764 1.00 0.00 S ATOM 0 H CYS A 119 61.850 35.207 52.492 1.00 0.00 H new ATOM 0 HA CYS A 119 60.777 37.353 50.752 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.090 37.956 50.194 1.00 0.00 H new ATOM 0 HB3 CYS A 119 62.652 38.346 51.845 1.00 0.00 H new ATOM 0 HG CYS A 119 64.444 35.517 51.054 1.00 0.00 H new ATOM 1806 N ILE A 120 60.882 35.935 48.788 1.00 0.00 N ATOM 1807 CA ILE A 120 60.743 35.044 47.626 1.00 0.00 C ATOM 1808 C ILE A 120 61.493 35.616 46.412 1.00 0.00 C ATOM 1809 O ILE A 120 61.856 36.786 46.369 1.00 0.00 O ATOM 1810 CB ILE A 120 59.245 34.704 47.396 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.945 33.637 46.322 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.424 35.949 47.045 1.00 0.00 C ATOM 1813 CD1 ILE A 120 59.691 32.313 46.507 1.00 0.00 C ATOM 0 H ILE A 120 60.363 36.807 48.689 1.00 0.00 H new ATOM 0 HA ILE A 120 61.226 34.085 47.813 1.00 0.00 H new ATOM 0 HB ILE A 120 58.955 34.283 48.358 1.00 0.00 H new ATOM 0 HG12 ILE A 120 57.874 33.437 46.318 1.00 0.00 H new ATOM 0 HG13 ILE A 120 59.196 34.046 45.343 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.382 35.667 46.892 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.489 36.669 47.860 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.816 36.398 46.132 1.00 0.00 H new ATOM 0 HD11 ILE A 120 59.417 31.626 45.706 1.00 0.00 H new ATOM 0 HD12 ILE A 120 60.766 32.494 46.479 1.00 0.00 H new ATOM 0 HD13 ILE A 120 59.422 31.875 47.468 1.00 0.00 H new ATOM 1825 N ASN A 121 61.778 34.760 45.434 1.00 0.00 N ATOM 1826 CA ASN A 121 62.478 35.109 44.192 1.00 0.00 C ATOM 1827 C ASN A 121 61.519 35.476 43.030 1.00 0.00 C ATOM 1828 O ASN A 121 61.924 36.157 42.097 1.00 0.00 O ATOM 1829 CB ASN A 121 63.433 33.946 43.849 1.00 0.00 C ATOM 1830 CG ASN A 121 62.651 32.688 43.487 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.954 32.649 42.490 1.00 0.00 O ATOM 1832 ND2 ASN A 121 62.632 31.671 44.310 1.00 0.00 N ATOM 0 H ASN A 121 61.522 33.774 45.481 1.00 0.00 H new ATOM 0 HA ASN A 121 63.054 36.022 44.344 1.00 0.00 H new ATOM 0 HB2 ASN A 121 64.076 34.232 43.016 1.00 0.00 H new ATOM 0 HB3 ASN A 121 64.084 33.742 44.699 1.00 0.00 H new ATOM 0 HD21 ASN A 121 62.040 30.865 44.111 1.00 0.00 H new ATOM 0 HD22 ASN A 121 63.209 31.685 45.151 1.00 0.00 H new ATOM 1839 N SER A 122 60.254 35.042 43.084 1.00 0.00 N ATOM 1840 CA SER A 122 59.195 35.296 42.089 1.00 0.00 C ATOM 1841 C SER A 122 59.454 34.836 40.639 1.00 0.00 C ATOM 1842 O SER A 122 58.757 35.281 39.731 1.00 0.00 O ATOM 1843 CB SER A 122 58.718 36.753 42.157 1.00 0.00 C ATOM 1844 OG SER A 122 58.227 37.042 43.455 1.00 0.00 O ATOM 0 H SER A 122 59.920 34.474 43.862 1.00 0.00 H new ATOM 0 HA SER A 122 58.392 34.627 42.397 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.540 37.425 41.912 1.00 0.00 H new ATOM 0 HB3 SER A 122 57.936 36.923 41.417 1.00 0.00 H new ATOM 0 HG SER A 122 57.926 37.974 43.491 1.00 0.00 H new ATOM 1850 N VAL A 123 60.388 33.907 40.392 1.00 0.00 N ATOM 1851 CA VAL A 123 60.733 33.416 39.033 1.00 0.00 C ATOM 1852 C VAL A 123 59.666 32.520 38.389 1.00 0.00 C ATOM 1853 O VAL A 123 59.679 32.278 37.186 1.00 0.00 O ATOM 1854 CB VAL A 123 62.097 32.710 39.076 1.00 0.00 C ATOM 1855 CG1 VAL A 123 62.057 31.251 39.548 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.830 32.773 37.734 1.00 0.00 C ATOM 0 H VAL A 123 60.935 33.466 41.131 1.00 0.00 H new ATOM 0 HA VAL A 123 60.782 34.294 38.389 1.00 0.00 H new ATOM 0 HB VAL A 123 62.645 33.277 39.828 1.00 0.00 H new ATOM 0 HG11 VAL A 123 63.066 30.840 39.544 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.651 31.206 40.558 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.425 30.669 38.877 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.788 32.260 37.818 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.226 32.290 36.966 1.00 0.00 H new ATOM 0 HG23 VAL A 123 62.999 33.814 37.460 1.00 0.00 H new ATOM 1866 N ALA A 124 58.770 32.001 39.225 1.00 0.00 N ATOM 1867 CA ALA A 124 57.879 30.874 38.925 1.00 0.00 C ATOM 1868 C ALA A 124 56.494 30.996 39.603 1.00 0.00 C ATOM 1869 O ALA A 124 55.983 30.034 40.175 1.00 0.00 O ATOM 1870 CB ALA A 124 58.615 29.575 39.294 1.00 0.00 C ATOM 0 H ALA A 124 58.636 32.366 40.168 1.00 0.00 H new ATOM 0 HA ALA A 124 57.649 30.871 37.859 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.973 28.720 39.080 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.531 29.497 38.708 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.863 29.586 40.355 1.00 0.00 H new ATOM 1876 N LEU A 125 55.890 32.191 39.572 1.00 0.00 N ATOM 1877 CA LEU A 125 54.601 32.477 40.215 1.00 0.00 C ATOM 1878 C LEU A 125 53.487 32.886 39.238 1.00 0.00 C ATOM 1879 O LEU A 125 53.712 33.473 38.178 1.00 0.00 O ATOM 1880 CB LEU A 125 54.762 33.570 41.288 1.00 0.00 C ATOM 1881 CG LEU A 125 55.776 33.288 42.408 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.774 34.458 43.396 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.466 32.023 43.197 1.00 0.00 C ATOM 0 H LEU A 125 56.289 32.998 39.092 1.00 0.00 H new ATOM 0 HA LEU A 125 54.291 31.536 40.669 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.052 34.496 40.791 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.788 33.745 41.746 1.00 0.00 H new ATOM 0 HG LEU A 125 56.743 33.157 41.922 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.492 34.263 44.193 1.00 0.00 H new ATOM 0 HD12 LEU A 125 56.051 35.375 42.875 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.778 34.571 43.825 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.220 31.883 43.971 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.483 32.114 43.660 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.472 31.165 42.525 1.00 0.00 H new ATOM 1895 N LYS A 126 52.257 32.661 39.692 1.00 0.00 N ATOM 1896 CA LYS A 126 51.016 33.321 39.269 1.00 0.00 C ATOM 1897 C LYS A 126 50.607 34.372 40.309 1.00 0.00 C ATOM 1898 O LYS A 126 50.930 34.246 41.490 1.00 0.00 O ATOM 1899 CB LYS A 126 49.929 32.272 39.083 1.00 0.00 C ATOM 1900 CG LYS A 126 50.183 31.451 37.816 1.00 0.00 C ATOM 1901 CD LYS A 126 49.900 32.168 36.486 1.00 0.00 C ATOM 1902 CE LYS A 126 51.144 32.667 35.737 1.00 0.00 C ATOM 1903 NZ LYS A 126 50.773 33.254 34.423 1.00 0.00 N ATOM 0 H LYS A 126 52.084 31.964 40.417 1.00 0.00 H new ATOM 0 HA LYS A 126 51.168 33.832 38.318 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.900 31.613 39.950 1.00 0.00 H new ATOM 0 HB3 LYS A 126 48.955 32.757 39.019 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.224 31.127 37.818 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.569 30.551 37.860 1.00 0.00 H new ATOM 0 HD2 LYS A 126 49.351 31.488 35.834 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.247 33.019 36.682 1.00 0.00 H new ATOM 0 HE2 LYS A 126 51.661 33.413 36.340 1.00 0.00 H new ATOM 0 HE3 LYS A 126 51.839 31.841 35.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 51.630 33.584 33.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 50.300 32.533 33.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 50.128 34.057 34.571 1.00 0.00 H new ATOM 1917 N PHE A 127 49.897 35.415 39.889 1.00 0.00 N ATOM 1918 CA PHE A 127 49.388 36.461 40.773 1.00 0.00 C ATOM 1919 C PHE A 127 48.039 37.006 40.289 1.00 0.00 C ATOM 1920 O PHE A 127 47.796 37.089 39.085 1.00 0.00 O ATOM 1921 CB PHE A 127 50.440 37.567 40.914 1.00 0.00 C ATOM 1922 CG PHE A 127 50.917 38.215 39.623 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.026 37.686 38.933 1.00 0.00 C ATOM 1924 CD2 PHE A 127 50.271 39.361 39.120 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.474 38.287 37.743 1.00 0.00 C ATOM 1926 CE2 PHE A 127 50.723 39.965 37.933 1.00 0.00 C ATOM 1927 CZ PHE A 127 51.823 39.427 37.242 1.00 0.00 C ATOM 0 H PHE A 127 49.655 35.560 38.909 1.00 0.00 H new ATOM 0 HA PHE A 127 49.204 36.032 41.758 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.032 38.347 41.557 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.307 37.151 41.428 1.00 0.00 H new ATOM 0 HD1 PHE A 127 52.534 36.815 39.320 1.00 0.00 H new ATOM 0 HD2 PHE A 127 49.426 39.777 39.648 1.00 0.00 H new ATOM 0 HE1 PHE A 127 53.319 37.872 37.214 1.00 0.00 H new ATOM 0 HE2 PHE A 127 50.224 40.844 37.552 1.00 0.00 H new ATOM 0 HZ PHE A 127 52.167 39.889 36.328 1.00 0.00 H new ATOM 1937 N LYS A 128 47.163 37.374 41.232 1.00 0.00 N ATOM 1938 CA LYS A 128 45.816 37.928 40.991 1.00 0.00 C ATOM 1939 C LYS A 128 45.505 39.050 41.998 1.00 0.00 C ATOM 1940 O LYS A 128 46.082 39.053 43.089 1.00 0.00 O ATOM 1941 CB LYS A 128 44.766 36.806 41.092 1.00 0.00 C ATOM 1942 CG LYS A 128 44.914 35.729 40.005 1.00 0.00 C ATOM 1943 CD LYS A 128 43.882 34.615 40.203 1.00 0.00 C ATOM 1944 CE LYS A 128 44.183 33.447 39.257 1.00 0.00 C ATOM 1945 NZ LYS A 128 43.438 32.238 39.666 1.00 0.00 N ATOM 0 H LYS A 128 47.378 37.292 42.226 1.00 0.00 H new ATOM 0 HA LYS A 128 45.784 38.354 39.988 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.842 36.335 42.072 1.00 0.00 H new ATOM 0 HB3 LYS A 128 43.770 37.244 41.025 1.00 0.00 H new ATOM 0 HG2 LYS A 128 44.786 36.179 39.020 1.00 0.00 H new ATOM 0 HG3 LYS A 128 45.920 35.310 40.036 1.00 0.00 H new ATOM 0 HD2 LYS A 128 43.901 34.270 41.237 1.00 0.00 H new ATOM 0 HD3 LYS A 128 42.880 34.999 40.013 1.00 0.00 H new ATOM 0 HE2 LYS A 128 43.912 33.720 38.237 1.00 0.00 H new ATOM 0 HE3 LYS A 128 45.253 33.238 39.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.656 31.459 39.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 43.716 31.969 40.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.417 32.435 39.642 1.00 0.00 H new ATOM 1959 N PRO A 129 44.634 40.021 41.672 1.00 0.00 N ATOM 1960 CA PRO A 129 44.246 41.072 42.611 1.00 0.00 C ATOM 1961 C PRO A 129 43.176 40.611 43.609 1.00 0.00 C ATOM 1962 O PRO A 129 42.616 39.527 43.495 1.00 0.00 O ATOM 1963 CB PRO A 129 43.736 42.214 41.730 1.00 0.00 C ATOM 1964 CG PRO A 129 43.088 41.461 40.566 1.00 0.00 C ATOM 1965 CD PRO A 129 43.992 40.240 40.381 1.00 0.00 C ATOM 0 HA PRO A 129 45.088 41.372 43.235 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.019 42.845 42.256 1.00 0.00 H new ATOM 0 HB3 PRO A 129 44.546 42.862 41.395 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.063 41.170 40.797 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.050 42.072 39.664 1.00 0.00 H new ATOM 0 HD2 PRO A 129 43.413 39.367 40.079 1.00 0.00 H new ATOM 0 HD3 PRO A 129 44.733 40.417 39.601 1.00 0.00 H new ATOM 1973 N SER A 130 42.894 41.460 44.600 1.00 0.00 N ATOM 1974 CA SER A 130 41.914 41.177 45.665 1.00 0.00 C ATOM 1975 C SER A 130 40.471 41.491 45.257 1.00 0.00 C ATOM 1976 O SER A 130 39.530 40.818 45.672 1.00 0.00 O ATOM 1977 CB SER A 130 42.268 41.996 46.900 1.00 0.00 C ATOM 1978 OG SER A 130 42.498 41.175 48.023 1.00 0.00 O ATOM 0 H SER A 130 43.340 42.373 44.691 1.00 0.00 H new ATOM 0 HA SER A 130 41.965 40.107 45.869 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.157 42.593 46.698 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.459 42.693 47.119 1.00 0.00 H new ATOM 0 HG SER A 130 42.724 41.734 48.796 1.00 0.00 H new ATOM 1984 N LYS A 131 40.345 42.587 44.504 1.00 0.00 N ATOM 1985 CA LYS A 131 39.127 43.239 44.028 1.00 0.00 C ATOM 1986 C LYS A 131 38.388 42.445 42.928 1.00 0.00 C ATOM 1987 O LYS A 131 39.025 41.659 42.222 1.00 0.00 O ATOM 1988 CB LYS A 131 39.507 44.636 43.491 1.00 0.00 C ATOM 1989 CG LYS A 131 40.233 45.564 44.489 1.00 0.00 C ATOM 1990 CD LYS A 131 39.491 45.860 45.804 1.00 0.00 C ATOM 1991 CE LYS A 131 38.058 46.330 45.539 1.00 0.00 C ATOM 1992 NZ LYS A 131 37.545 47.223 46.599 1.00 0.00 N ATOM 0 H LYS A 131 41.174 43.086 44.183 1.00 0.00 H new ATOM 0 HA LYS A 131 38.437 43.303 44.870 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.143 44.507 42.615 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.598 45.135 43.155 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.197 45.118 44.733 1.00 0.00 H new ATOM 0 HG3 LYS A 131 40.437 46.511 43.990 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.473 44.964 46.424 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.029 46.625 46.364 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.022 46.851 44.582 1.00 0.00 H new ATOM 0 HE3 LYS A 131 37.405 45.461 45.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 36.572 47.511 46.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 37.552 46.721 47.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.149 48.067 46.665 1.00 0.00 H new