USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 12 TYR OH : rot 27:sc= -0.545 USER MOD Set 1.2: A 14 ASN : amide:sc= -1.84 K(o=-5.8,f=-9.9!) USER MOD Set 1.3: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 53 GLN :FLIP amide:sc= -3.45 F(o=-8.8!,f=-5.8) USER MOD Set 2.1: A 10 THR OG1 : rot -30:sc= 1.02 USER MOD Set 2.2: A 90 SER OG : rot -104:sc= 1.25 USER MOD Single : A 8 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.8!) USER MOD Single : A 9 HIS : no HE2:sc= -5.75! C(o=-5.7!,f=-13!) USER MOD Single : A 15 ASN : amide:sc= -0.609 K(o=-0.61,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -3.72! C(o=-3.7!,f=-13!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -136:sc= -0.0438! USER MOD Single : A 30 HIS : no HD1:sc=-0.00908 X(o=-0.0091,f=0) USER MOD Single : A 34 SER OG : rot -2:sc= -1.03! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -120:sc= -0.181 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0814 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0133) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 63 SER OG : rot 168:sc= -1.31! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00521 USER MOD Single : A 66 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.39) USER MOD Single : A 70 SER OG : rot -150:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 77 TYR OH : rot 50:sc= -0.798! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -177:sc= 0 (180deg=-0.00512) USER MOD Single : A 84 GLN : amide:sc=-0.00345 K(o=-0.0035,f=-1.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= -2.06! USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.0465 (180deg=-0.361) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.027 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.040 -3.305 -28.511 1.00 0.00 N ATOM 683 CA PRO A 7 29.708 -2.886 -27.137 1.00 0.00 C ATOM 684 C PRO A 7 30.241 -1.469 -26.872 1.00 0.00 C ATOM 685 O PRO A 7 31.343 -1.122 -27.296 1.00 0.00 O ATOM 686 CB PRO A 7 30.429 -3.913 -26.259 1.00 0.00 C ATOM 687 CG PRO A 7 31.569 -4.503 -27.120 1.00 0.00 C ATOM 688 CD PRO A 7 31.195 -4.236 -28.589 1.00 0.00 C ATOM 0 HA PRO A 7 28.635 -2.852 -26.945 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.826 -3.443 -25.359 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.743 -4.696 -25.934 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.523 -4.037 -26.872 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.680 -5.572 -26.937 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.027 -3.793 -29.137 1.00 0.00 H new ATOM 0 HD3 PRO A 7 30.928 -5.158 -29.105 1.00 0.00 H new ATOM 689 N ASN A 8 29.486 -0.639 -26.185 1.00 0.00 N ATOM 690 CA ASN A 8 29.966 0.746 -25.911 1.00 0.00 C ATOM 691 C ASN A 8 29.688 1.107 -24.443 1.00 0.00 C ATOM 692 O ASN A 8 28.812 0.526 -23.807 1.00 0.00 O ATOM 693 CB ASN A 8 29.233 1.730 -26.825 1.00 0.00 C ATOM 694 CG ASN A 8 29.935 1.782 -28.188 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.067 0.761 -28.858 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.398 2.922 -28.642 1.00 0.00 N ATOM 0 H ASN A 8 28.566 -0.864 -25.807 1.00 0.00 H new ATOM 0 HA ASN A 8 31.038 0.801 -26.101 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.195 1.422 -26.950 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.219 2.722 -26.373 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.865 2.958 -29.548 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.291 3.772 -28.089 1.00 0.00 H new ATOM 697 N HIS A 9 30.415 2.056 -23.890 1.00 0.00 N ATOM 698 CA HIS A 9 30.175 2.440 -22.460 1.00 0.00 C ATOM 699 C HIS A 9 28.710 2.867 -22.279 1.00 0.00 C ATOM 700 O HIS A 9 28.087 2.558 -21.264 1.00 0.00 O ATOM 701 CB HIS A 9 31.091 3.607 -22.062 1.00 0.00 C ATOM 702 CG HIS A 9 31.524 3.450 -20.630 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.849 3.571 -20.241 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.820 3.177 -19.483 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.900 3.372 -18.911 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.691 3.129 -18.399 1.00 0.00 N ATOM 0 H HIS A 9 31.155 2.575 -24.362 1.00 0.00 H new ATOM 0 HA HIS A 9 30.392 1.580 -21.826 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.964 3.635 -22.714 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.566 4.554 -22.191 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.641 3.774 -20.851 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.752 3.023 -19.430 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.809 3.405 -18.328 1.00 0.00 H new ATOM 707 N THR A 10 28.145 3.580 -23.230 1.00 0.00 N ATOM 708 CA THR A 10 26.729 4.025 -23.089 1.00 0.00 C ATOM 709 C THR A 10 25.835 3.234 -24.061 1.00 0.00 C ATOM 710 O THR A 10 26.214 2.980 -25.200 1.00 0.00 O ATOM 711 CB THR A 10 26.648 5.528 -23.409 1.00 0.00 C ATOM 712 OG1 THR A 10 27.335 6.257 -22.402 1.00 0.00 O ATOM 713 CG2 THR A 10 25.186 5.992 -23.463 1.00 0.00 C ATOM 0 H THR A 10 28.607 3.869 -24.092 1.00 0.00 H new ATOM 0 HA THR A 10 26.384 3.846 -22.071 1.00 0.00 H new ATOM 0 HB THR A 10 27.107 5.706 -24.381 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.280 5.772 -21.552 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.151 7.057 -23.690 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.657 5.438 -24.238 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.711 5.811 -22.499 1.00 0.00 H new ATOM 714 N ILE A 11 24.645 2.857 -23.637 1.00 0.00 N ATOM 715 CA ILE A 11 23.734 2.108 -24.547 1.00 0.00 C ATOM 716 C ILE A 11 22.685 3.077 -25.121 1.00 0.00 C ATOM 717 O ILE A 11 22.284 4.037 -24.460 1.00 0.00 O ATOM 718 CB ILE A 11 23.034 0.976 -23.784 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.193 1.544 -22.632 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.086 0.024 -23.214 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.929 0.698 -22.458 1.00 0.00 C ATOM 0 H ILE A 11 24.275 3.038 -22.704 1.00 0.00 H new ATOM 0 HA ILE A 11 24.315 1.672 -25.359 1.00 0.00 H new ATOM 0 HB ILE A 11 22.378 0.443 -24.472 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.773 1.544 -21.709 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.925 2.580 -22.840 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.592 -0.782 -22.671 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.676 -0.396 -24.029 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.741 0.570 -22.535 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.331 1.101 -21.640 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.346 0.721 -23.379 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.208 -0.331 -22.231 1.00 0.00 H new ATOM 722 N TYR A 12 22.232 2.851 -26.333 1.00 0.00 N ATOM 723 CA TYR A 12 21.216 3.762 -26.934 1.00 0.00 C ATOM 724 C TYR A 12 19.928 2.967 -27.221 1.00 0.00 C ATOM 725 O TYR A 12 19.948 1.981 -27.954 1.00 0.00 O ATOM 726 CB TYR A 12 21.774 4.348 -28.240 1.00 0.00 C ATOM 727 CG TYR A 12 20.714 5.171 -28.941 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.501 6.505 -28.571 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.946 4.597 -29.961 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.519 7.263 -29.220 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.965 5.354 -30.610 1.00 0.00 C ATOM 732 CZ TYR A 12 18.751 6.687 -30.240 1.00 0.00 C ATOM 733 OH TYR A 12 17.781 7.434 -30.881 1.00 0.00 O ATOM 0 H TYR A 12 22.524 2.075 -26.927 1.00 0.00 H new ATOM 0 HA TYR A 12 20.989 4.575 -26.244 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.644 4.969 -28.026 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.110 3.543 -28.893 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.094 6.949 -27.785 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.111 3.569 -30.247 1.00 0.00 H new ATOM 0 HE1 TYR A 12 19.354 8.291 -28.934 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.373 4.910 -31.396 1.00 0.00 H new ATOM 0 HH TYR A 12 18.019 8.384 -30.839 1.00 0.00 H new ATOM 734 N ILE A 13 18.808 3.380 -26.667 1.00 0.00 N ATOM 735 CA ILE A 13 17.536 2.643 -26.927 1.00 0.00 C ATOM 736 C ILE A 13 16.769 3.349 -28.054 1.00 0.00 C ATOM 737 O ILE A 13 16.860 4.567 -28.206 1.00 0.00 O ATOM 738 CB ILE A 13 16.681 2.629 -25.657 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.492 2.033 -24.497 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.429 1.782 -25.894 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.211 2.821 -23.216 1.00 0.00 C ATOM 0 H ILE A 13 18.725 4.189 -26.052 1.00 0.00 H new ATOM 0 HA ILE A 13 17.760 1.617 -27.220 1.00 0.00 H new ATOM 0 HB ILE A 13 16.388 3.648 -25.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.228 0.985 -24.356 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.556 2.065 -24.730 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.820 1.772 -24.990 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.852 2.207 -26.715 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.722 0.763 -26.146 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.787 2.397 -22.394 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.497 3.863 -23.360 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.148 2.766 -22.980 1.00 0.00 H new ATOM 742 N ASN A 14 16.018 2.621 -28.852 1.00 0.00 N ATOM 743 CA ASN A 14 15.263 3.276 -29.961 1.00 0.00 C ATOM 744 C ASN A 14 13.936 2.536 -30.192 1.00 0.00 C ATOM 745 O ASN A 14 13.591 1.617 -29.450 1.00 0.00 O ATOM 746 CB ASN A 14 16.102 3.232 -31.238 1.00 0.00 C ATOM 747 CG ASN A 14 15.943 4.551 -32.004 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.920 5.621 -31.400 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.832 4.540 -33.311 1.00 0.00 N ATOM 0 H ASN A 14 15.899 1.610 -28.781 1.00 0.00 H new ATOM 0 HA ASN A 14 15.054 4.312 -29.696 1.00 0.00 H new ATOM 0 HB2 ASN A 14 17.151 3.068 -30.991 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.787 2.396 -31.863 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.727 5.417 -33.821 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.851 3.655 -33.817 1.00 0.00 H new ATOM 750 N ASN A 15 13.180 2.914 -31.201 1.00 0.00 N ATOM 751 CA ASN A 15 11.884 2.224 -31.458 1.00 0.00 C ATOM 752 C ASN A 15 10.983 2.354 -30.221 1.00 0.00 C ATOM 753 O ASN A 15 10.305 1.403 -29.836 1.00 0.00 O ATOM 754 CB ASN A 15 12.142 0.744 -31.748 1.00 0.00 C ATOM 755 CG ASN A 15 10.829 0.064 -32.157 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.919 0.723 -32.660 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.672 -1.223 -31.971 1.00 0.00 N ATOM 0 H ASN A 15 13.408 3.667 -31.850 1.00 0.00 H new ATOM 0 HA ASN A 15 11.392 2.681 -32.317 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.880 0.642 -32.544 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.556 0.257 -30.865 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.799 -1.675 -32.243 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.423 -1.773 -31.555 1.00 0.00 H new ATOM 758 N LEU A 16 10.957 3.508 -29.587 1.00 0.00 N ATOM 759 CA LEU A 16 10.094 3.671 -28.381 1.00 0.00 C ATOM 760 C LEU A 16 8.800 4.401 -28.769 1.00 0.00 C ATOM 761 O LEU A 16 8.813 5.299 -29.610 1.00 0.00 O ATOM 762 CB LEU A 16 10.840 4.492 -27.326 1.00 0.00 C ATOM 763 CG LEU A 16 11.849 3.598 -26.601 1.00 0.00 C ATOM 764 CD1 LEU A 16 13.077 4.424 -26.213 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.204 3.023 -25.338 1.00 0.00 C ATOM 0 H LEU A 16 11.493 4.333 -29.854 1.00 0.00 H new ATOM 0 HA LEU A 16 9.851 2.689 -27.976 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.354 5.329 -27.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.133 4.914 -26.612 1.00 0.00 H new ATOM 0 HG LEU A 16 12.152 2.784 -27.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.795 3.787 -25.697 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.537 4.836 -27.111 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.775 5.238 -25.554 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.922 2.386 -24.821 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.902 3.838 -24.680 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.328 2.435 -25.612 1.00 0.00 H new ATOM 766 N ASN A 17 7.681 4.043 -28.174 1.00 0.00 N ATOM 767 CA ASN A 17 6.402 4.736 -28.523 1.00 0.00 C ATOM 768 C ASN A 17 6.540 6.222 -28.184 1.00 0.00 C ATOM 769 O ASN A 17 7.327 6.601 -27.318 1.00 0.00 O ATOM 770 CB ASN A 17 5.231 4.141 -27.730 1.00 0.00 C ATOM 771 CG ASN A 17 5.529 4.233 -26.230 1.00 0.00 C ATOM 772 OD1 ASN A 17 5.346 5.287 -25.625 1.00 0.00 O ATOM 773 ND2 ASN A 17 5.981 3.184 -25.587 1.00 0.00 N ATOM 0 H ASN A 17 7.602 3.309 -27.470 1.00 0.00 H new ATOM 0 HA ASN A 17 6.203 4.605 -29.587 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.311 4.678 -27.962 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.075 3.101 -28.017 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.179 3.244 -24.588 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.134 2.307 -26.085 1.00 0.00 H new ATOM 774 N GLU A 18 5.804 7.075 -28.854 1.00 0.00 N ATOM 775 CA GLU A 18 5.915 8.533 -28.568 1.00 0.00 C ATOM 776 C GLU A 18 4.750 8.982 -27.670 1.00 0.00 C ATOM 777 O GLU A 18 3.968 9.856 -28.043 1.00 0.00 O ATOM 778 CB GLU A 18 5.877 9.301 -29.889 1.00 0.00 C ATOM 779 CG GLU A 18 7.282 9.346 -30.491 1.00 0.00 C ATOM 780 CD GLU A 18 7.182 9.383 -32.016 1.00 0.00 C ATOM 781 OE1 GLU A 18 6.504 8.532 -32.568 1.00 0.00 O ATOM 782 OE2 GLU A 18 7.785 10.263 -32.608 1.00 0.00 O ATOM 0 H GLU A 18 5.136 6.823 -29.582 1.00 0.00 H new ATOM 0 HA GLU A 18 6.853 8.735 -28.051 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.188 8.820 -30.583 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.508 10.313 -29.723 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.816 10.225 -30.129 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.853 8.473 -30.174 1.00 0.00 H new ATOM 783 N LYS A 19 4.616 8.409 -26.491 1.00 0.00 N ATOM 784 CA LYS A 19 3.502 8.823 -25.589 1.00 0.00 C ATOM 785 C LYS A 19 3.926 8.687 -24.115 1.00 0.00 C ATOM 786 O LYS A 19 3.105 8.370 -23.256 1.00 0.00 O ATOM 787 CB LYS A 19 2.282 7.937 -25.850 1.00 0.00 C ATOM 788 CG LYS A 19 1.937 7.969 -27.340 1.00 0.00 C ATOM 789 CD LYS A 19 0.575 7.310 -27.565 1.00 0.00 C ATOM 790 CE LYS A 19 -0.535 8.317 -27.263 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.781 7.586 -26.894 1.00 0.00 N ATOM 0 H LYS A 19 5.227 7.680 -26.123 1.00 0.00 H new ATOM 0 HA LYS A 19 3.254 9.865 -25.790 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.488 6.914 -25.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.433 8.286 -25.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.918 8.999 -27.697 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.704 7.447 -27.913 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.494 6.961 -28.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.472 6.435 -26.923 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.232 8.975 -26.449 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.715 8.948 -28.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.537 8.270 -26.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.072 6.975 -27.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.604 7.002 -26.052 1.00 0.00 H new ATOM 792 N ILE A 20 5.184 8.916 -23.795 1.00 0.00 N ATOM 793 CA ILE A 20 5.627 8.790 -22.375 1.00 0.00 C ATOM 794 C ILE A 20 5.984 10.169 -21.819 1.00 0.00 C ATOM 795 O ILE A 20 6.376 11.069 -22.561 1.00 0.00 O ATOM 796 CB ILE A 20 6.872 7.893 -22.270 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.777 6.706 -23.247 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.996 7.367 -20.831 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.496 5.918 -22.981 1.00 0.00 C ATOM 0 H ILE A 20 5.914 9.183 -24.456 1.00 0.00 H new ATOM 0 HA ILE A 20 4.809 8.348 -21.806 1.00 0.00 H new ATOM 0 HB ILE A 20 7.751 8.482 -22.530 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.785 7.068 -24.275 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.645 6.057 -23.131 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.877 6.730 -20.751 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.092 8.207 -20.143 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.107 6.790 -20.577 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.434 5.080 -23.675 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.506 5.542 -21.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.633 6.569 -23.120 1.00 0.00 H new ATOM 800 N LYS A 21 5.882 10.350 -20.522 1.00 0.00 N ATOM 801 CA LYS A 21 6.247 11.667 -19.932 1.00 0.00 C ATOM 802 C LYS A 21 7.764 11.694 -19.711 1.00 0.00 C ATOM 803 O LYS A 21 8.457 10.728 -20.032 1.00 0.00 O ATOM 804 CB LYS A 21 5.527 11.870 -18.592 1.00 0.00 C ATOM 805 CG LYS A 21 4.014 11.796 -18.810 1.00 0.00 C ATOM 806 CD LYS A 21 3.527 13.086 -19.476 1.00 0.00 C ATOM 807 CE LYS A 21 3.442 12.881 -20.990 1.00 0.00 C ATOM 808 NZ LYS A 21 3.816 14.145 -21.684 1.00 0.00 N ATOM 0 H LYS A 21 5.564 9.646 -19.856 1.00 0.00 H new ATOM 0 HA LYS A 21 5.947 12.468 -20.608 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.840 11.107 -17.879 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.797 12.836 -18.164 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.768 10.937 -19.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.506 11.653 -17.857 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.550 13.365 -19.081 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.209 13.905 -19.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.108 12.074 -21.296 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.432 12.584 -21.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.758 14.006 -22.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.163 14.903 -21.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.788 14.409 -21.424 1.00 0.00 H new ATOM 809 N LYS A 22 8.305 12.762 -19.171 1.00 0.00 N ATOM 810 CA LYS A 22 9.782 12.801 -18.942 1.00 0.00 C ATOM 811 C LYS A 22 10.100 12.174 -17.583 1.00 0.00 C ATOM 812 O LYS A 22 11.066 11.426 -17.447 1.00 0.00 O ATOM 813 CB LYS A 22 10.284 14.247 -18.974 1.00 0.00 C ATOM 814 CG LYS A 22 11.806 14.257 -19.141 1.00 0.00 C ATOM 815 CD LYS A 22 12.219 15.454 -19.999 1.00 0.00 C ATOM 816 CE LYS A 22 13.672 15.825 -19.693 1.00 0.00 C ATOM 817 NZ LYS A 22 14.018 17.095 -20.395 1.00 0.00 N ATOM 0 H LYS A 22 7.794 13.597 -18.883 1.00 0.00 H new ATOM 0 HA LYS A 22 10.282 12.239 -19.731 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.814 14.788 -19.795 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.005 14.760 -18.054 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.289 14.312 -18.165 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.137 13.330 -19.609 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.109 15.212 -21.056 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.566 16.303 -19.797 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.810 15.941 -18.618 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.339 15.025 -20.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.005 17.348 -20.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.901 16.968 -21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.389 17.856 -20.067 1.00 0.00 H new ATOM 818 N ASP A 23 9.298 12.434 -16.578 1.00 0.00 N ATOM 819 CA ASP A 23 9.556 11.814 -15.247 1.00 0.00 C ATOM 820 C ASP A 23 9.117 10.337 -15.285 1.00 0.00 C ATOM 821 O ASP A 23 9.591 9.526 -14.492 1.00 0.00 O ATOM 822 CB ASP A 23 8.776 12.559 -14.153 1.00 0.00 C ATOM 823 CG ASP A 23 7.272 12.462 -14.429 1.00 0.00 C ATOM 824 OD1 ASP A 23 6.710 11.410 -14.177 1.00 0.00 O ATOM 825 OD2 ASP A 23 6.710 13.442 -14.888 1.00 0.00 O ATOM 0 H ASP A 23 8.482 13.045 -16.624 1.00 0.00 H new ATOM 0 HA ASP A 23 10.620 11.877 -15.021 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.004 12.132 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.083 13.605 -14.123 1.00 0.00 H new ATOM 826 N GLU A 24 8.217 9.963 -16.184 1.00 0.00 N ATOM 827 CA GLU A 24 7.775 8.540 -16.233 1.00 0.00 C ATOM 828 C GLU A 24 8.814 7.690 -16.974 1.00 0.00 C ATOM 829 O GLU A 24 9.149 6.597 -16.527 1.00 0.00 O ATOM 830 CB GLU A 24 6.421 8.425 -16.946 1.00 0.00 C ATOM 831 CG GLU A 24 5.632 7.252 -16.362 1.00 0.00 C ATOM 832 CD GLU A 24 4.163 7.369 -16.772 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.464 8.172 -16.177 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.762 6.654 -17.676 1.00 0.00 O ATOM 0 H GLU A 24 7.783 10.580 -16.870 1.00 0.00 H new ATOM 0 HA GLU A 24 7.672 8.177 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.857 9.350 -16.829 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.573 8.278 -18.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.046 6.309 -16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.718 7.248 -15.275 1.00 0.00 H new ATOM 835 N LEU A 25 9.331 8.150 -18.095 1.00 0.00 N ATOM 836 CA LEU A 25 10.342 7.317 -18.826 1.00 0.00 C ATOM 837 C LEU A 25 11.664 7.258 -18.038 1.00 0.00 C ATOM 838 O LEU A 25 12.379 6.261 -18.105 1.00 0.00 O ATOM 839 CB LEU A 25 10.611 7.893 -20.221 1.00 0.00 C ATOM 840 CG LEU A 25 11.027 6.763 -21.166 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.858 5.787 -21.358 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.431 7.359 -22.518 1.00 0.00 C ATOM 0 H LEU A 25 9.102 9.046 -18.526 1.00 0.00 H new ATOM 0 HA LEU A 25 9.936 6.310 -18.926 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.717 8.389 -20.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.396 8.647 -20.170 1.00 0.00 H new ATOM 0 HG LEU A 25 11.872 6.224 -20.738 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.160 4.985 -22.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.575 5.364 -20.394 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.007 6.318 -21.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.728 6.558 -23.195 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.586 7.899 -22.945 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.267 8.045 -22.378 1.00 0.00 H new ATOM 843 N LYS A 26 12.013 8.288 -17.297 1.00 0.00 N ATOM 844 CA LYS A 26 13.296 8.242 -16.522 1.00 0.00 C ATOM 845 C LYS A 26 13.126 7.354 -15.273 1.00 0.00 C ATOM 846 O LYS A 26 14.078 6.711 -14.835 1.00 0.00 O ATOM 847 CB LYS A 26 13.705 9.657 -16.087 1.00 0.00 C ATOM 848 CG LYS A 26 15.061 9.605 -15.376 1.00 0.00 C ATOM 849 CD LYS A 26 15.495 11.024 -14.986 1.00 0.00 C ATOM 850 CE LYS A 26 16.539 11.540 -15.982 1.00 0.00 C ATOM 851 NZ LYS A 26 16.271 12.976 -16.280 1.00 0.00 N ATOM 0 H LYS A 26 11.472 9.147 -17.197 1.00 0.00 H new ATOM 0 HA LYS A 26 14.073 7.824 -17.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.764 10.313 -16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.950 10.076 -15.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.993 8.978 -14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.808 9.152 -16.029 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.631 11.688 -14.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.910 11.023 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.541 11.424 -15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.503 10.954 -16.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.979 13.328 -16.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.321 13.074 -16.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.326 13.529 -15.401 1.00 0.00 H new ATOM 852 N LYS A 27 11.949 7.305 -14.682 1.00 0.00 N ATOM 853 CA LYS A 27 11.766 6.454 -13.460 1.00 0.00 C ATOM 854 C LYS A 27 11.784 4.962 -13.837 1.00 0.00 C ATOM 855 O LYS A 27 12.269 4.132 -13.069 1.00 0.00 O ATOM 856 CB LYS A 27 10.427 6.784 -12.780 1.00 0.00 C ATOM 857 CG LYS A 27 10.647 7.010 -11.281 1.00 0.00 C ATOM 858 CD LYS A 27 9.595 7.992 -10.746 1.00 0.00 C ATOM 859 CE LYS A 27 8.633 7.262 -9.804 1.00 0.00 C ATOM 860 NZ LYS A 27 7.250 7.783 -10.004 1.00 0.00 N ATOM 0 H LYS A 27 11.119 7.811 -14.990 1.00 0.00 H new ATOM 0 HA LYS A 27 12.586 6.663 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.990 7.675 -13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.720 5.969 -12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.579 6.062 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.648 7.404 -11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.084 8.811 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.042 8.433 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.661 6.190 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.941 7.407 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.596 7.287 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.230 8.802 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.958 7.623 -10.989 1.00 0.00 H new ATOM 861 N SER A 28 11.264 4.591 -14.989 1.00 0.00 N ATOM 862 CA SER A 28 11.266 3.141 -15.365 1.00 0.00 C ATOM 863 C SER A 28 12.655 2.721 -15.871 1.00 0.00 C ATOM 864 O SER A 28 13.077 1.587 -15.658 1.00 0.00 O ATOM 865 CB SER A 28 10.227 2.878 -16.459 1.00 0.00 C ATOM 866 OG SER A 28 9.809 1.522 -16.394 1.00 0.00 O ATOM 0 H SER A 28 10.845 5.221 -15.673 1.00 0.00 H new ATOM 0 HA SER A 28 11.016 2.557 -14.480 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.371 3.541 -16.331 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.652 3.093 -17.439 1.00 0.00 H new ATOM 0 HG SER A 28 9.776 1.146 -17.298 1.00 0.00 H new ATOM 867 N LEU A 29 13.382 3.597 -16.535 1.00 0.00 N ATOM 868 CA LEU A 29 14.741 3.202 -17.036 1.00 0.00 C ATOM 869 C LEU A 29 15.668 2.940 -15.842 1.00 0.00 C ATOM 870 O LEU A 29 16.433 1.976 -15.835 1.00 0.00 O ATOM 871 CB LEU A 29 15.339 4.320 -17.902 1.00 0.00 C ATOM 872 CG LEU A 29 14.692 4.300 -19.287 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.967 5.626 -19.999 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.282 3.151 -20.109 1.00 0.00 C ATOM 0 H LEU A 29 13.097 4.553 -16.748 1.00 0.00 H new ATOM 0 HA LEU A 29 14.644 2.299 -17.639 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.176 5.288 -17.428 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.417 4.187 -17.992 1.00 0.00 H new ATOM 0 HG LEU A 29 13.616 4.159 -19.182 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.506 5.611 -20.986 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.549 6.446 -19.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.043 5.767 -20.103 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.821 3.136 -21.097 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.358 3.293 -20.213 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.088 2.205 -19.604 1.00 0.00 H new ATOM 875 N HIS A 30 15.619 3.777 -14.832 1.00 0.00 N ATOM 876 CA HIS A 30 16.507 3.566 -13.642 1.00 0.00 C ATOM 877 C HIS A 30 16.147 2.256 -12.916 1.00 0.00 C ATOM 878 O HIS A 30 17.000 1.655 -12.269 1.00 0.00 O ATOM 879 CB HIS A 30 16.367 4.738 -12.660 1.00 0.00 C ATOM 880 CG HIS A 30 17.604 4.833 -11.811 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.616 4.455 -10.478 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.878 5.261 -12.091 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.861 4.660 -10.008 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.670 5.151 -10.951 1.00 0.00 N ATOM 0 H HIS A 30 15.007 4.592 -14.779 1.00 0.00 H new ATOM 0 HA HIS A 30 17.535 3.506 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.217 5.669 -13.207 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.490 4.594 -12.029 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.215 5.627 -13.050 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.168 4.453 -8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.656 5.393 -10.856 1.00 0.00 H new ATOM 885 N ALA A 31 14.913 1.799 -12.987 1.00 0.00 N ATOM 886 CA ALA A 31 14.551 0.532 -12.273 1.00 0.00 C ATOM 887 C ALA A 31 15.019 -0.686 -13.089 1.00 0.00 C ATOM 888 O ALA A 31 15.922 -1.407 -12.678 1.00 0.00 O ATOM 889 CB ALA A 31 13.032 0.454 -12.074 1.00 0.00 C ATOM 0 H ALA A 31 14.153 2.244 -13.502 1.00 0.00 H new ATOM 0 HA ALA A 31 15.044 0.529 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.780 -0.470 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.698 1.306 -11.481 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.537 0.471 -13.045 1.00 0.00 H new ATOM 890 N ILE A 32 14.405 -0.949 -14.223 1.00 0.00 N ATOM 891 CA ILE A 32 14.796 -2.132 -15.042 1.00 0.00 C ATOM 892 C ILE A 32 16.328 -2.243 -15.199 1.00 0.00 C ATOM 893 O ILE A 32 16.912 -3.288 -14.917 1.00 0.00 O ATOM 894 CB ILE A 32 14.152 -2.082 -16.447 1.00 0.00 C ATOM 895 CG1 ILE A 32 13.905 -0.645 -16.964 1.00 0.00 C ATOM 896 CG2 ILE A 32 12.825 -2.840 -16.429 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.227 -0.573 -18.460 1.00 0.00 C ATOM 0 H ILE A 32 13.647 -0.389 -14.613 1.00 0.00 H new ATOM 0 HA ILE A 32 14.432 -3.008 -14.506 1.00 0.00 H new ATOM 0 HB ILE A 32 14.863 -2.548 -17.129 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.867 -0.359 -16.791 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.526 0.062 -16.414 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.372 -2.804 -17.420 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.003 -3.878 -16.149 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.152 -2.379 -15.706 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.052 0.440 -18.821 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.271 -0.840 -18.621 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.587 -1.268 -19.004 1.00 0.00 H new ATOM 898 N PHE A 33 16.986 -1.211 -15.667 1.00 0.00 N ATOM 899 CA PHE A 33 18.474 -1.299 -15.867 1.00 0.00 C ATOM 900 C PHE A 33 19.213 -1.410 -14.522 1.00 0.00 C ATOM 901 O PHE A 33 20.225 -2.103 -14.426 1.00 0.00 O ATOM 902 CB PHE A 33 18.980 -0.060 -16.617 1.00 0.00 C ATOM 903 CG PHE A 33 18.673 -0.205 -18.088 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.313 -1.199 -18.842 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.750 0.651 -18.699 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.027 -1.334 -20.207 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.465 0.516 -20.062 1.00 0.00 C ATOM 908 CZ PHE A 33 18.103 -0.476 -20.816 1.00 0.00 C ATOM 0 H PHE A 33 16.565 -0.317 -15.919 1.00 0.00 H new ATOM 0 HA PHE A 33 18.677 -2.196 -16.452 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.504 0.838 -16.222 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.054 0.056 -16.468 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.026 -1.860 -18.371 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.257 1.416 -18.118 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.519 -2.099 -20.789 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.753 1.177 -20.533 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.882 -0.580 -21.868 1.00 0.00 H new ATOM 909 N SER A 34 18.756 -0.742 -13.484 1.00 0.00 N ATOM 910 CA SER A 34 19.483 -0.833 -12.170 1.00 0.00 C ATOM 911 C SER A 34 19.613 -2.304 -11.733 1.00 0.00 C ATOM 912 O SER A 34 20.614 -2.690 -11.133 1.00 0.00 O ATOM 913 CB SER A 34 18.736 -0.052 -11.082 1.00 0.00 C ATOM 914 OG SER A 34 17.357 -0.389 -11.120 1.00 0.00 O ATOM 0 H SER A 34 17.927 -0.148 -13.487 1.00 0.00 H new ATOM 0 HA SER A 34 20.475 -0.401 -12.304 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.151 -0.285 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.864 1.020 -11.236 1.00 0.00 H new ATOM 0 HG SER A 34 17.194 -1.016 -11.855 1.00 0.00 H new ATOM 915 N ARG A 35 18.627 -3.138 -12.005 1.00 0.00 N ATOM 916 CA ARG A 35 18.725 -4.578 -11.580 1.00 0.00 C ATOM 917 C ARG A 35 20.059 -5.178 -12.056 1.00 0.00 C ATOM 918 O ARG A 35 20.749 -5.856 -11.296 1.00 0.00 O ATOM 919 CB ARG A 35 17.569 -5.389 -12.181 1.00 0.00 C ATOM 920 CG ARG A 35 16.247 -4.928 -11.564 1.00 0.00 C ATOM 921 CD ARG A 35 15.134 -5.025 -12.609 1.00 0.00 C ATOM 922 NE ARG A 35 14.772 -6.454 -12.819 1.00 0.00 N ATOM 923 CZ ARG A 35 14.536 -6.897 -14.025 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.457 -6.807 -14.944 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.379 -7.429 -14.309 1.00 0.00 N ATOM 0 H ARG A 35 17.769 -2.887 -12.497 1.00 0.00 H new ATOM 0 HA ARG A 35 18.671 -4.621 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.543 -5.258 -13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 35 17.720 -6.452 -11.992 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.003 -5.545 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.338 -3.902 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.261 -4.463 -12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.463 -4.580 -13.548 1.00 0.00 H new ATOM 0 HE ARG A 35 14.708 -7.087 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.361 -6.391 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.273 -7.153 -15.886 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.659 -7.499 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.194 -7.775 -15.251 1.00 0.00 H new ATOM 926 N PHE A 36 20.441 -4.949 -13.295 1.00 0.00 N ATOM 927 CA PHE A 36 21.736 -5.519 -13.795 1.00 0.00 C ATOM 928 C PHE A 36 22.880 -5.119 -12.851 1.00 0.00 C ATOM 929 O PHE A 36 23.525 -5.973 -12.245 1.00 0.00 O ATOM 930 CB PHE A 36 22.041 -4.993 -15.205 1.00 0.00 C ATOM 931 CG PHE A 36 21.135 -5.672 -16.200 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.459 -6.944 -16.687 1.00 0.00 C ATOM 933 CD2 PHE A 36 19.969 -5.032 -16.637 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.618 -7.575 -17.611 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.128 -5.663 -17.561 1.00 0.00 C ATOM 936 CZ PHE A 36 19.453 -6.934 -18.048 1.00 0.00 C ATOM 0 H PHE A 36 19.917 -4.398 -13.974 1.00 0.00 H new ATOM 0 HA PHE A 36 21.647 -6.605 -13.828 1.00 0.00 H new ATOM 0 HB2 PHE A 36 21.895 -3.913 -15.242 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.084 -5.183 -15.458 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.358 -7.438 -16.350 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.718 -4.051 -16.261 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.868 -8.556 -17.987 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.229 -5.169 -17.898 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.805 -7.421 -18.761 1.00 0.00 H new ATOM 937 N GLY A 37 23.151 -3.838 -12.711 1.00 0.00 N ATOM 938 CA GLY A 37 24.256 -3.407 -11.803 1.00 0.00 C ATOM 939 C GLY A 37 23.946 -2.017 -11.229 1.00 0.00 C ATOM 940 O GLY A 37 22.908 -1.813 -10.601 1.00 0.00 O ATOM 0 H GLY A 37 22.656 -3.082 -13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.375 -4.127 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.199 -3.383 -12.349 1.00 0.00 H new ATOM 941 N GLN A 38 24.819 -1.053 -11.429 1.00 0.00 N ATOM 942 CA GLN A 38 24.555 0.312 -10.890 1.00 0.00 C ATOM 943 C GLN A 38 24.574 1.327 -12.041 1.00 0.00 C ATOM 944 O GLN A 38 25.508 1.352 -12.842 1.00 0.00 O ATOM 945 CB GLN A 38 25.638 0.675 -9.871 1.00 0.00 C ATOM 946 CG GLN A 38 25.265 1.985 -9.175 1.00 0.00 C ATOM 947 CD GLN A 38 26.457 2.481 -8.347 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.439 2.399 -7.121 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.502 2.996 -8.949 1.00 0.00 N ATOM 0 H GLN A 38 25.696 -1.157 -11.940 1.00 0.00 H new ATOM 0 HA GLN A 38 23.579 0.330 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.743 -0.123 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.602 0.777 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.985 2.735 -9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.399 1.833 -8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.521 3.066 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.295 3.326 -8.400 1.00 0.00 H new ATOM 950 N ILE A 39 23.566 2.167 -12.147 1.00 0.00 N ATOM 951 CA ILE A 39 23.550 3.170 -13.253 1.00 0.00 C ATOM 952 C ILE A 39 24.104 4.505 -12.735 1.00 0.00 C ATOM 953 O ILE A 39 23.740 4.958 -11.649 1.00 0.00 O ATOM 954 CB ILE A 39 22.114 3.367 -13.749 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.530 2.018 -14.176 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.114 4.319 -14.946 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.021 2.013 -13.929 1.00 0.00 C ATOM 0 H ILE A 39 22.763 2.198 -11.519 1.00 0.00 H new ATOM 0 HA ILE A 39 24.168 2.814 -14.077 1.00 0.00 H new ATOM 0 HB ILE A 39 21.509 3.789 -12.946 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.737 1.838 -15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.003 1.211 -13.616 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.092 4.459 -15.299 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.530 5.281 -14.646 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.720 3.896 -15.747 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.606 1.052 -14.233 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.825 2.174 -12.869 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.555 2.810 -14.509 1.00 0.00 H new ATOM 958 N LEU A 40 24.978 5.148 -13.479 1.00 0.00 N ATOM 959 CA LEU A 40 25.541 6.449 -13.005 1.00 0.00 C ATOM 960 C LEU A 40 24.567 7.585 -13.343 1.00 0.00 C ATOM 961 O LEU A 40 24.341 8.481 -12.532 1.00 0.00 O ATOM 962 CB LEU A 40 26.892 6.720 -13.683 1.00 0.00 C ATOM 963 CG LEU A 40 28.030 6.300 -12.749 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.100 4.774 -12.683 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.355 6.848 -13.285 1.00 0.00 C ATOM 0 H LEU A 40 25.321 4.829 -14.385 1.00 0.00 H new ATOM 0 HA LEU A 40 25.686 6.398 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.956 6.169 -14.621 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.981 7.778 -13.928 1.00 0.00 H new ATOM 0 HG LEU A 40 27.847 6.698 -11.751 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.910 4.475 -12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.156 4.383 -12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.283 4.375 -13.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.167 6.550 -12.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.537 6.449 -14.283 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.306 7.936 -13.333 1.00 0.00 H new ATOM 966 N ASP A 41 23.986 7.573 -14.522 1.00 0.00 N ATOM 967 CA ASP A 41 23.032 8.666 -14.888 1.00 0.00 C ATOM 968 C ASP A 41 22.191 8.253 -16.109 1.00 0.00 C ATOM 969 O ASP A 41 22.592 7.391 -16.890 1.00 0.00 O ATOM 970 CB ASP A 41 23.821 9.934 -15.221 1.00 0.00 C ATOM 971 CG ASP A 41 23.043 11.160 -14.739 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.157 11.595 -15.456 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.348 11.643 -13.661 1.00 0.00 O ATOM 0 H ASP A 41 24.130 6.861 -15.238 1.00 0.00 H new ATOM 0 HA ASP A 41 22.365 8.853 -14.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.801 9.901 -14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.991 9.997 -16.296 1.00 0.00 H new ATOM 974 N ILE A 42 21.033 8.853 -16.295 1.00 0.00 N ATOM 975 CA ILE A 42 20.185 8.490 -17.466 1.00 0.00 C ATOM 976 C ILE A 42 19.690 9.774 -18.149 1.00 0.00 C ATOM 977 O ILE A 42 18.940 10.550 -17.560 1.00 0.00 O ATOM 978 CB ILE A 42 18.984 7.669 -16.993 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.476 6.469 -16.179 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.195 7.172 -18.205 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.278 5.748 -15.560 1.00 0.00 C ATOM 0 H ILE A 42 20.646 9.574 -15.686 1.00 0.00 H new ATOM 0 HA ILE A 42 20.770 7.901 -18.172 1.00 0.00 H new ATOM 0 HB ILE A 42 18.341 8.292 -16.372 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.034 5.786 -16.819 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.158 6.802 -15.397 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.339 6.587 -17.867 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.845 8.025 -18.786 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.838 6.549 -18.827 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.627 4.894 -14.980 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.739 6.434 -14.907 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.613 5.402 -16.351 1.00 0.00 H new ATOM 982 N LEU A 43 20.094 10.021 -19.378 1.00 0.00 N ATOM 983 CA LEU A 43 19.640 11.260 -20.073 1.00 0.00 C ATOM 984 C LEU A 43 18.431 10.944 -20.966 1.00 0.00 C ATOM 985 O LEU A 43 18.553 10.235 -21.964 1.00 0.00 O ATOM 986 CB LEU A 43 20.776 11.812 -20.939 1.00 0.00 C ATOM 987 CG LEU A 43 21.726 12.640 -20.073 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.777 11.724 -19.447 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.418 13.694 -20.941 1.00 0.00 C ATOM 0 H LEU A 43 20.714 9.419 -19.921 1.00 0.00 H new ATOM 0 HA LEU A 43 19.356 12.001 -19.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.319 10.992 -21.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.369 12.428 -21.741 1.00 0.00 H new ATOM 0 HG LEU A 43 21.160 13.134 -19.283 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.454 12.315 -18.830 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.284 10.974 -18.829 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.344 11.229 -20.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.096 14.285 -20.325 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.984 13.200 -21.731 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.668 14.348 -21.386 1.00 0.00 H new ATOM 990 N VAL A 44 17.265 11.462 -20.640 1.00 0.00 N ATOM 991 CA VAL A 44 16.065 11.190 -21.489 1.00 0.00 C ATOM 992 C VAL A 44 15.926 12.328 -22.509 1.00 0.00 C ATOM 993 O VAL A 44 16.498 13.400 -22.325 1.00 0.00 O ATOM 994 CB VAL A 44 14.802 11.129 -20.616 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.646 10.533 -21.423 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.058 10.253 -19.386 1.00 0.00 C ATOM 0 H VAL A 44 17.098 12.056 -19.828 1.00 0.00 H new ATOM 0 HA VAL A 44 16.184 10.234 -21.999 1.00 0.00 H new ATOM 0 HB VAL A 44 14.546 12.139 -20.296 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.752 10.491 -20.801 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.452 11.156 -22.296 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.910 9.526 -21.748 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.158 10.215 -18.773 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.322 9.245 -19.706 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.877 10.675 -18.803 1.00 0.00 H new ATOM 997 N SER A 45 15.188 12.130 -23.581 1.00 0.00 N ATOM 998 CA SER A 45 15.043 13.221 -24.591 1.00 0.00 C ATOM 999 C SER A 45 13.564 13.384 -24.972 1.00 0.00 C ATOM 1000 O SER A 45 12.885 12.408 -25.289 1.00 0.00 O ATOM 1001 CB SER A 45 15.855 12.868 -25.838 1.00 0.00 C ATOM 1002 OG SER A 45 16.948 12.039 -25.468 1.00 0.00 O ATOM 0 H SER A 45 14.687 11.268 -23.794 1.00 0.00 H new ATOM 0 HA SER A 45 15.409 14.156 -24.167 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.224 12.355 -26.564 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.219 13.776 -26.318 1.00 0.00 H new ATOM 0 HG SER A 45 17.789 12.478 -25.714 1.00 0.00 H new ATOM 1003 N ARG A 46 13.048 14.595 -24.957 1.00 0.00 N ATOM 1004 CA ARG A 46 11.615 14.795 -25.329 1.00 0.00 C ATOM 1005 C ARG A 46 11.502 15.745 -26.537 1.00 0.00 C ATOM 1006 O ARG A 46 10.517 16.472 -26.667 1.00 0.00 O ATOM 1007 CB ARG A 46 10.863 15.397 -24.140 1.00 0.00 C ATOM 1008 CG ARG A 46 9.431 14.856 -24.114 1.00 0.00 C ATOM 1009 CD ARG A 46 8.742 15.290 -22.819 1.00 0.00 C ATOM 1010 NE ARG A 46 7.959 16.533 -23.066 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.946 16.514 -23.889 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.089 15.531 -23.845 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.790 17.478 -24.754 1.00 0.00 N ATOM 0 H ARG A 46 13.556 15.443 -24.705 1.00 0.00 H new ATOM 0 HA ARG A 46 11.181 13.831 -25.595 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.374 15.149 -23.210 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.851 16.484 -24.217 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.876 15.227 -24.975 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.441 13.768 -24.186 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.084 14.498 -22.461 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.484 15.464 -22.040 1.00 0.00 H new ATOM 0 HE ARG A 46 8.215 17.399 -22.592 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.211 14.778 -23.168 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.297 15.516 -24.488 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.460 18.247 -24.787 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.998 17.463 -25.397 1.00 0.00 H new ATOM 1014 N SER A 47 12.472 15.759 -27.431 1.00 0.00 N ATOM 1015 CA SER A 47 12.383 16.662 -28.614 1.00 0.00 C ATOM 1016 C SER A 47 11.991 15.834 -29.848 1.00 0.00 C ATOM 1017 O SER A 47 12.156 14.615 -29.861 1.00 0.00 O ATOM 1018 CB SER A 47 13.740 17.325 -28.848 1.00 0.00 C ATOM 1019 OG SER A 47 13.748 17.945 -30.127 1.00 0.00 O ATOM 0 H SER A 47 13.314 15.184 -27.386 1.00 0.00 H new ATOM 0 HA SER A 47 11.632 17.432 -28.438 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.934 18.065 -28.072 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.535 16.582 -28.787 1.00 0.00 H new ATOM 0 HG SER A 47 14.617 18.372 -30.278 1.00 0.00 H new ATOM 1020 N LEU A 48 11.471 16.457 -30.887 1.00 0.00 N ATOM 1021 CA LEU A 48 11.075 15.666 -32.102 1.00 0.00 C ATOM 1022 C LEU A 48 12.296 14.901 -32.637 1.00 0.00 C ATOM 1023 O LEU A 48 12.267 13.679 -32.762 1.00 0.00 O ATOM 1024 CB LEU A 48 10.544 16.595 -33.201 1.00 0.00 C ATOM 1025 CG LEU A 48 9.660 15.802 -34.166 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.487 16.677 -34.619 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.484 15.381 -35.386 1.00 0.00 C ATOM 0 H LEU A 48 11.306 17.462 -30.946 1.00 0.00 H new ATOM 0 HA LEU A 48 10.289 14.966 -31.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.973 17.410 -32.757 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.376 17.046 -33.742 1.00 0.00 H new ATOM 0 HG LEU A 48 9.278 14.914 -33.662 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.857 16.113 -35.307 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.900 16.976 -33.751 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.869 17.565 -35.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.854 14.816 -36.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.867 16.268 -35.890 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.319 14.758 -35.064 1.00 0.00 H new ATOM 1028 N LYS A 49 13.370 15.591 -32.962 1.00 0.00 N ATOM 1029 CA LYS A 49 14.583 14.880 -33.493 1.00 0.00 C ATOM 1030 C LYS A 49 15.013 13.771 -32.519 1.00 0.00 C ATOM 1031 O LYS A 49 15.452 12.702 -32.941 1.00 0.00 O ATOM 1032 CB LYS A 49 15.744 15.869 -33.670 1.00 0.00 C ATOM 1033 CG LYS A 49 15.581 16.617 -34.995 1.00 0.00 C ATOM 1034 CD LYS A 49 16.934 17.187 -35.428 1.00 0.00 C ATOM 1035 CE LYS A 49 16.715 18.280 -36.475 1.00 0.00 C ATOM 1036 NZ LYS A 49 16.266 17.660 -37.754 1.00 0.00 N ATOM 0 H LYS A 49 13.458 16.604 -32.884 1.00 0.00 H new ATOM 0 HA LYS A 49 14.330 14.442 -34.458 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.763 16.576 -32.841 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.695 15.336 -33.656 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.196 15.943 -35.761 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.854 17.421 -34.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.462 17.595 -34.566 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.560 16.395 -35.839 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.969 18.992 -36.122 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.638 18.837 -36.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.150 18.399 -38.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.977 16.972 -38.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.358 17.176 -37.605 1.00 0.00 H new ATOM 1037 N MET A 50 14.904 13.993 -31.225 1.00 0.00 N ATOM 1038 CA MET A 50 15.315 12.940 -30.252 1.00 0.00 C ATOM 1039 C MET A 50 14.061 12.328 -29.615 1.00 0.00 C ATOM 1040 O MET A 50 13.946 12.253 -28.393 1.00 0.00 O ATOM 1041 CB MET A 50 16.194 13.567 -29.164 1.00 0.00 C ATOM 1042 CG MET A 50 17.356 12.627 -28.821 1.00 0.00 C ATOM 1043 SD MET A 50 18.910 13.553 -28.864 1.00 0.00 S ATOM 1044 CE MET A 50 19.795 12.454 -29.998 1.00 0.00 C ATOM 0 H MET A 50 14.550 14.854 -30.809 1.00 0.00 H new ATOM 0 HA MET A 50 15.880 12.162 -30.766 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.581 14.527 -29.506 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.599 13.763 -28.272 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.207 12.191 -27.833 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.392 11.801 -29.531 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.799 12.841 -30.170 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.860 11.457 -29.562 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.259 12.401 -30.946 1.00 0.00 H new ATOM 1045 N ARG A 51 13.112 11.892 -30.415 1.00 0.00 N ATOM 1046 CA ARG A 51 11.874 11.294 -29.841 1.00 0.00 C ATOM 1047 C ARG A 51 11.910 9.769 -30.020 1.00 0.00 C ATOM 1048 O ARG A 51 12.566 9.256 -30.925 1.00 0.00 O ATOM 1049 CB ARG A 51 10.650 11.868 -30.563 1.00 0.00 C ATOM 1050 CG ARG A 51 9.551 12.186 -29.545 1.00 0.00 C ATOM 1051 CD ARG A 51 8.414 12.937 -30.240 1.00 0.00 C ATOM 1052 NE ARG A 51 7.807 13.909 -29.288 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.160 13.478 -28.239 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.136 12.682 -28.386 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.537 13.843 -27.044 1.00 0.00 N ATOM 0 H ARG A 51 13.147 11.927 -31.434 1.00 0.00 H new ATOM 0 HA ARG A 51 11.813 11.531 -28.779 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.927 12.771 -31.107 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.282 11.153 -31.299 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.174 11.265 -29.101 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.956 12.789 -28.733 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.792 13.460 -31.118 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.659 12.233 -30.589 1.00 0.00 H new ATOM 0 HE ARG A 51 7.897 14.911 -29.456 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.842 12.397 -29.320 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.630 12.345 -27.567 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.337 14.465 -26.929 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.031 13.506 -26.225 1.00 0.00 H new ATOM 1056 N GLY A 52 11.225 9.032 -29.175 1.00 0.00 N ATOM 1057 CA GLY A 52 11.230 7.545 -29.304 1.00 0.00 C ATOM 1058 C GLY A 52 12.652 7.002 -29.081 1.00 0.00 C ATOM 1059 O GLY A 52 13.066 6.041 -29.729 1.00 0.00 O ATOM 0 H GLY A 52 10.665 9.398 -28.405 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.546 7.106 -28.577 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.873 7.256 -30.292 1.00 0.00 H new ATOM 1060 N GLN A 53 13.413 7.589 -28.179 1.00 0.00 N ATOM 1061 CA GLN A 53 14.803 7.088 -27.934 1.00 0.00 C ATOM 1062 C GLN A 53 15.283 7.539 -26.542 1.00 0.00 C ATOM 1063 O GLN A 53 14.743 8.484 -25.968 1.00 0.00 O ATOM 1064 CB GLN A 53 15.743 7.650 -29.002 1.00 0.00 C ATOM 1065 CG GLN A 53 15.673 9.179 -28.996 1.00 0.00 C ATOM 1066 CD GLN A 53 15.960 9.708 -30.407 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.199 9.864 -30.808 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 15.035 9.988 -31.166 1.00 0.00 N flip ATOM 0 H GLN A 53 13.131 8.386 -27.608 1.00 0.00 H new ATOM 0 HA GLN A 53 14.805 5.999 -27.980 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.765 7.322 -28.810 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.464 7.267 -29.984 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.687 9.508 -28.666 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.397 9.584 -28.289 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.070 9.869 -30.859 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.233 10.340 -32.103 1.00 0.00 H new ATOM 1069 N ALA A 54 16.280 6.888 -25.982 1.00 0.00 N ATOM 1070 CA ALA A 54 16.766 7.300 -24.632 1.00 0.00 C ATOM 1071 C ALA A 54 18.277 7.049 -24.521 1.00 0.00 C ATOM 1072 O ALA A 54 18.878 6.425 -25.392 1.00 0.00 O ATOM 1073 CB ALA A 54 16.037 6.487 -23.561 1.00 0.00 C ATOM 0 H ALA A 54 16.771 6.098 -26.400 1.00 0.00 H new ATOM 0 HA ALA A 54 16.567 8.362 -24.488 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.390 6.786 -22.574 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.965 6.669 -23.633 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.236 5.426 -23.711 1.00 0.00 H new ATOM 1074 N PHE A 55 18.904 7.518 -23.465 1.00 0.00 N ATOM 1075 CA PHE A 55 20.370 7.297 -23.307 1.00 0.00 C ATOM 1076 C PHE A 55 20.650 6.797 -21.884 1.00 0.00 C ATOM 1077 O PHE A 55 20.156 7.368 -20.913 1.00 0.00 O ATOM 1078 CB PHE A 55 21.114 8.614 -23.536 1.00 0.00 C ATOM 1079 CG PHE A 55 21.213 8.891 -25.016 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.118 9.427 -25.704 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.402 8.614 -25.702 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.211 9.685 -27.076 1.00 0.00 C ATOM 1083 CE2 PHE A 55 22.495 8.872 -27.074 1.00 0.00 C ATOM 1084 CZ PHE A 55 21.400 9.409 -27.762 1.00 0.00 C ATOM 0 H PHE A 55 18.461 8.042 -22.711 1.00 0.00 H new ATOM 0 HA PHE A 55 20.710 6.559 -24.033 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.591 9.430 -23.038 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.111 8.561 -23.099 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.201 9.641 -25.175 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.247 8.201 -25.172 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.365 10.097 -27.606 1.00 0.00 H new ATOM 0 HE2 PHE A 55 23.412 8.657 -27.603 1.00 0.00 H new ATOM 0 HZ PHE A 55 21.472 9.610 -28.821 1.00 0.00 H new ATOM 1085 N VAL A 56 21.427 5.747 -21.729 1.00 0.00 N ATOM 1086 CA VAL A 56 21.717 5.242 -20.355 1.00 0.00 C ATOM 1087 C VAL A 56 23.229 5.068 -20.181 1.00 0.00 C ATOM 1088 O VAL A 56 23.937 4.742 -21.129 1.00 0.00 O ATOM 1089 CB VAL A 56 21.021 3.895 -20.144 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.167 3.472 -18.681 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.535 4.025 -20.489 1.00 0.00 C ATOM 0 H VAL A 56 21.866 5.226 -22.488 1.00 0.00 H new ATOM 0 HA VAL A 56 21.347 5.959 -19.622 1.00 0.00 H new ATOM 0 HB VAL A 56 21.479 3.146 -20.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.672 2.513 -18.528 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.224 3.378 -18.433 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.709 4.223 -18.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.041 3.065 -20.338 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.076 4.774 -19.844 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.428 4.328 -21.531 1.00 0.00 H new ATOM 1092 N ILE A 57 23.745 5.274 -18.990 1.00 0.00 N ATOM 1093 CA ILE A 57 25.210 5.110 -18.777 1.00 0.00 C ATOM 1094 C ILE A 57 25.430 4.164 -17.591 1.00 0.00 C ATOM 1095 O ILE A 57 24.729 4.254 -16.584 1.00 0.00 O ATOM 1096 CB ILE A 57 25.843 6.470 -18.477 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.448 7.470 -19.569 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.365 6.327 -18.447 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.954 8.865 -19.199 1.00 0.00 C ATOM 0 H ILE A 57 23.213 5.547 -18.164 1.00 0.00 H new ATOM 0 HA ILE A 57 25.672 4.696 -19.673 1.00 0.00 H new ATOM 0 HB ILE A 57 25.491 6.829 -17.510 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.868 7.162 -20.526 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.364 7.485 -19.687 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.817 7.295 -18.233 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.648 5.615 -17.672 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.716 5.968 -19.415 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.671 9.573 -19.978 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.512 9.173 -18.251 1.00 0.00 H new ATOM 0 HD13 ILE A 57 27.040 8.845 -19.104 1.00 0.00 H new ATOM 1100 N PHE A 58 26.374 3.254 -17.679 1.00 0.00 N ATOM 1101 CA PHE A 58 26.597 2.317 -16.542 1.00 0.00 C ATOM 1102 C PHE A 58 28.052 2.397 -16.073 1.00 0.00 C ATOM 1103 O PHE A 58 28.947 2.724 -16.850 1.00 0.00 O ATOM 1104 CB PHE A 58 26.304 0.887 -16.992 1.00 0.00 C ATOM 1105 CG PHE A 58 24.839 0.748 -17.314 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.339 1.248 -18.522 1.00 0.00 C ATOM 1107 CD2 PHE A 58 23.977 0.120 -16.405 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.978 1.120 -18.821 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.617 -0.007 -16.705 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.118 0.494 -17.913 1.00 0.00 C ATOM 0 H PHE A 58 26.990 3.124 -18.481 1.00 0.00 H new ATOM 0 HA PHE A 58 25.933 2.595 -15.723 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.904 0.641 -17.868 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.582 0.184 -16.207 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.003 1.732 -19.223 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.363 -0.266 -15.473 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.592 1.505 -19.753 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.952 -0.491 -16.005 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.067 0.397 -18.144 1.00 0.00 H new ATOM 1111 N LYS A 59 28.314 2.088 -14.820 1.00 0.00 N ATOM 1112 CA LYS A 59 29.729 2.134 -14.332 1.00 0.00 C ATOM 1113 C LYS A 59 30.566 1.167 -15.180 1.00 0.00 C ATOM 1114 O LYS A 59 30.308 -0.035 -15.201 1.00 0.00 O ATOM 1115 CB LYS A 59 29.805 1.716 -12.857 1.00 0.00 C ATOM 1116 CG LYS A 59 30.920 2.500 -12.162 1.00 0.00 C ATOM 1117 CD LYS A 59 32.229 1.714 -12.251 1.00 0.00 C ATOM 1118 CE LYS A 59 32.367 0.810 -11.026 1.00 0.00 C ATOM 1119 NZ LYS A 59 33.809 0.538 -10.768 1.00 0.00 N ATOM 0 H LYS A 59 27.619 1.811 -14.127 1.00 0.00 H new ATOM 0 HA LYS A 59 30.110 3.151 -14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.851 1.905 -12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.996 0.646 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.038 3.477 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.659 2.676 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 59 32.244 1.115 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 59 33.074 2.400 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.915 1.287 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.833 -0.126 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.903 -0.077 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 34.227 0.066 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.306 1.435 -10.594 1.00 0.00 H new ATOM 1120 N GLU A 60 31.552 1.662 -15.899 1.00 0.00 N ATOM 1121 CA GLU A 60 32.388 0.769 -16.761 1.00 0.00 C ATOM 1122 C GLU A 60 31.553 0.312 -17.968 1.00 0.00 C ATOM 1123 O GLU A 60 30.325 0.311 -17.920 1.00 0.00 O ATOM 1124 CB GLU A 60 32.867 -0.457 -15.967 1.00 0.00 C ATOM 1125 CG GLU A 60 34.319 -0.775 -16.334 1.00 0.00 C ATOM 1126 CD GLU A 60 35.259 0.099 -15.501 1.00 0.00 C ATOM 1127 OE1 GLU A 60 35.157 0.052 -14.286 1.00 0.00 O ATOM 1128 OE2 GLU A 60 36.064 0.799 -16.092 1.00 0.00 O ATOM 0 H GLU A 60 31.811 2.648 -15.923 1.00 0.00 H new ATOM 0 HA GLU A 60 33.264 1.321 -17.102 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.786 -0.264 -14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.231 -1.315 -16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.529 -1.829 -16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.484 -0.596 -17.396 1.00 0.00 H new ATOM 1129 N VAL A 61 32.190 -0.066 -19.054 1.00 0.00 N ATOM 1130 CA VAL A 61 31.416 -0.507 -20.262 1.00 0.00 C ATOM 1131 C VAL A 61 30.829 -1.915 -20.053 1.00 0.00 C ATOM 1132 O VAL A 61 29.786 -2.236 -20.612 1.00 0.00 O ATOM 1133 CB VAL A 61 32.326 -0.527 -21.499 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.489 -0.840 -22.744 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.000 0.839 -21.667 1.00 0.00 C ATOM 0 H VAL A 61 33.205 -0.088 -19.156 1.00 0.00 H new ATOM 0 HA VAL A 61 30.602 0.202 -20.413 1.00 0.00 H new ATOM 0 HB VAL A 61 33.091 -1.293 -21.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.134 -0.854 -23.622 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.013 -1.814 -22.627 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.723 -0.075 -22.869 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.645 0.821 -22.546 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.238 1.608 -21.792 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.598 1.061 -20.783 1.00 0.00 H new ATOM 1136 N SER A 62 31.472 -2.770 -19.285 1.00 0.00 N ATOM 1137 CA SER A 62 30.923 -4.155 -19.087 1.00 0.00 C ATOM 1138 C SER A 62 29.500 -4.095 -18.502 1.00 0.00 C ATOM 1139 O SER A 62 28.640 -4.898 -18.863 1.00 0.00 O ATOM 1140 CB SER A 62 31.823 -4.952 -18.134 1.00 0.00 C ATOM 1141 OG SER A 62 31.443 -4.678 -16.789 1.00 0.00 O ATOM 0 H SER A 62 32.343 -2.572 -18.792 1.00 0.00 H new ATOM 0 HA SER A 62 30.892 -4.648 -20.059 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.735 -6.019 -18.339 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.867 -4.683 -18.291 1.00 0.00 H new ATOM 0 HG SER A 62 32.015 -5.187 -16.177 1.00 0.00 H new ATOM 1142 N SER A 63 29.230 -3.180 -17.596 1.00 0.00 N ATOM 1143 CA SER A 63 27.854 -3.111 -16.991 1.00 0.00 C ATOM 1144 C SER A 63 26.794 -2.892 -18.087 1.00 0.00 C ATOM 1145 O SER A 63 25.695 -3.444 -18.017 1.00 0.00 O ATOM 1146 CB SER A 63 27.778 -1.960 -15.982 1.00 0.00 C ATOM 1147 OG SER A 63 26.439 -1.828 -15.522 1.00 0.00 O ATOM 0 H SER A 63 29.893 -2.485 -17.252 1.00 0.00 H new ATOM 0 HA SER A 63 27.657 -4.055 -16.484 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.446 -2.152 -15.142 1.00 0.00 H new ATOM 0 HB3 SER A 63 28.109 -1.031 -16.447 1.00 0.00 H new ATOM 0 HG SER A 63 26.418 -1.232 -14.744 1.00 0.00 H new ATOM 1148 N ALA A 64 27.089 -2.107 -19.102 1.00 0.00 N ATOM 1149 CA ALA A 64 26.077 -1.878 -20.181 1.00 0.00 C ATOM 1150 C ALA A 64 26.006 -3.106 -21.101 1.00 0.00 C ATOM 1151 O ALA A 64 24.965 -3.376 -21.699 1.00 0.00 O ATOM 1152 CB ALA A 64 26.453 -0.643 -21.012 1.00 0.00 C ATOM 0 H ALA A 64 27.977 -1.621 -19.226 1.00 0.00 H new ATOM 0 HA ALA A 64 25.105 -1.714 -19.715 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.708 -0.489 -21.793 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.488 0.234 -20.365 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.431 -0.796 -21.469 1.00 0.00 H new ATOM 1153 N THR A 65 27.079 -3.860 -21.239 1.00 0.00 N ATOM 1154 CA THR A 65 27.027 -5.054 -22.132 1.00 0.00 C ATOM 1155 C THR A 65 25.934 -6.016 -21.642 1.00 0.00 C ATOM 1156 O THR A 65 25.227 -6.620 -22.446 1.00 0.00 O ATOM 1157 CB THR A 65 28.378 -5.784 -22.147 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.429 -4.830 -22.216 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.444 -6.708 -23.364 1.00 0.00 C ATOM 0 H THR A 65 27.973 -3.698 -20.776 1.00 0.00 H new ATOM 0 HA THR A 65 26.801 -4.718 -23.144 1.00 0.00 H new ATOM 0 HB THR A 65 28.484 -6.375 -21.237 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.292 -5.294 -22.224 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.403 -7.227 -23.376 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.637 -7.439 -23.310 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.340 -6.118 -24.275 1.00 0.00 H new ATOM 1160 N ASN A 66 25.773 -6.175 -20.345 1.00 0.00 N ATOM 1161 CA ASN A 66 24.716 -7.103 -19.837 1.00 0.00 C ATOM 1162 C ASN A 66 23.348 -6.396 -19.853 1.00 0.00 C ATOM 1163 O ASN A 66 22.325 -7.026 -20.106 1.00 0.00 O ATOM 1164 CB ASN A 66 25.042 -7.548 -18.405 1.00 0.00 C ATOM 1165 CG ASN A 66 24.739 -9.044 -18.251 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.914 -9.430 -17.425 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.362 -9.919 -19.004 1.00 0.00 N ATOM 0 H ASN A 66 26.324 -5.706 -19.626 1.00 0.00 H new ATOM 0 HA ASN A 66 24.682 -7.979 -20.484 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.091 -7.354 -18.183 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.453 -6.972 -17.691 1.00 0.00 H new ATOM 0 HD21 ASN A 66 25.161 -10.914 -18.903 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.047 -9.604 -19.691 1.00 0.00 H new ATOM 1168 N ALA A 67 23.297 -5.108 -19.585 1.00 0.00 N ATOM 1169 CA ALA A 67 21.969 -4.402 -19.596 1.00 0.00 C ATOM 1170 C ALA A 67 21.345 -4.412 -21.011 1.00 0.00 C ATOM 1171 O ALA A 67 20.141 -4.201 -21.154 1.00 0.00 O ATOM 1172 CB ALA A 67 22.143 -2.945 -19.144 1.00 0.00 C ATOM 0 H ALA A 67 24.103 -4.523 -19.363 1.00 0.00 H new ATOM 0 HA ALA A 67 21.307 -4.931 -18.911 1.00 0.00 H new ATOM 0 HB1 ALA A 67 21.176 -2.443 -19.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.551 -2.924 -18.133 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.826 -2.433 -19.822 1.00 0.00 H new ATOM 1173 N LEU A 68 22.116 -4.624 -22.063 1.00 0.00 N ATOM 1174 CA LEU A 68 21.522 -4.608 -23.437 1.00 0.00 C ATOM 1175 C LEU A 68 21.280 -6.039 -23.949 1.00 0.00 C ATOM 1176 O LEU A 68 20.184 -6.367 -24.400 1.00 0.00 O ATOM 1177 CB LEU A 68 22.481 -3.886 -24.388 1.00 0.00 C ATOM 1178 CG LEU A 68 21.715 -3.378 -25.617 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.166 -1.956 -25.951 1.00 0.00 C ATOM 1180 CD2 LEU A 68 21.998 -4.293 -26.813 1.00 0.00 C ATOM 0 H LEU A 68 23.119 -4.805 -22.024 1.00 0.00 H new ATOM 0 HA LEU A 68 20.564 -4.089 -23.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 22.956 -3.050 -23.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.277 -4.563 -24.699 1.00 0.00 H new ATOM 0 HG LEU A 68 20.647 -3.380 -25.401 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.621 -1.597 -26.824 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.964 -1.302 -25.103 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.235 -1.954 -26.165 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.453 -3.931 -27.685 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.067 -4.292 -27.027 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.675 -5.308 -26.579 1.00 0.00 H new ATOM 1181 N ARG A 69 22.278 -6.895 -23.913 1.00 0.00 N ATOM 1182 CA ARG A 69 22.081 -8.295 -24.426 1.00 0.00 C ATOM 1183 C ARG A 69 20.902 -8.964 -23.701 1.00 0.00 C ATOM 1184 O ARG A 69 20.109 -9.676 -24.315 1.00 0.00 O ATOM 1185 CB ARG A 69 23.350 -9.128 -24.198 1.00 0.00 C ATOM 1186 CG ARG A 69 24.501 -8.534 -25.014 1.00 0.00 C ATOM 1187 CD ARG A 69 25.827 -8.717 -24.266 1.00 0.00 C ATOM 1188 NE ARG A 69 26.768 -9.506 -25.110 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.652 -10.805 -25.180 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.282 -11.563 -24.325 1.00 0.00 N ATOM 1191 NH2 ARG A 69 25.907 -11.344 -26.105 1.00 0.00 N ATOM 0 H ARG A 69 23.211 -6.689 -23.555 1.00 0.00 H new ATOM 0 HA ARG A 69 21.869 -8.243 -25.494 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.607 -9.137 -23.139 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.177 -10.163 -24.493 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.554 -9.019 -25.989 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.320 -7.474 -25.195 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.261 -7.745 -24.030 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.655 -9.228 -23.319 1.00 0.00 H new ATOM 0 HE ARG A 69 27.503 -9.031 -25.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.865 -11.141 -23.602 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.192 -12.578 -24.379 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.415 -10.751 -26.774 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.816 -12.358 -26.160 1.00 0.00 H new ATOM 1192 N SER A 70 20.771 -8.762 -22.412 1.00 0.00 N ATOM 1193 CA SER A 70 19.639 -9.404 -21.663 1.00 0.00 C ATOM 1194 C SER A 70 18.298 -8.774 -22.078 1.00 0.00 C ATOM 1195 O SER A 70 17.274 -9.455 -22.112 1.00 0.00 O ATOM 1196 CB SER A 70 19.832 -9.224 -20.154 1.00 0.00 C ATOM 1197 OG SER A 70 20.613 -10.301 -19.649 1.00 0.00 O ATOM 0 H SER A 70 21.394 -8.184 -21.847 1.00 0.00 H new ATOM 0 HA SER A 70 19.630 -10.467 -21.904 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.326 -8.274 -19.949 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.865 -9.195 -19.653 1.00 0.00 H new ATOM 0 HG SER A 70 20.362 -10.479 -18.719 1.00 0.00 H new ATOM 1198 N MET A 71 18.267 -7.493 -22.391 1.00 0.00 N ATOM 1199 CA MET A 71 16.978 -6.859 -22.793 1.00 0.00 C ATOM 1200 C MET A 71 16.916 -6.707 -24.323 1.00 0.00 C ATOM 1201 O MET A 71 16.360 -5.735 -24.832 1.00 0.00 O ATOM 1202 CB MET A 71 16.863 -5.480 -22.139 1.00 0.00 C ATOM 1203 CG MET A 71 16.638 -5.643 -20.635 1.00 0.00 C ATOM 1204 SD MET A 71 15.899 -4.133 -19.967 1.00 0.00 S ATOM 1205 CE MET A 71 14.222 -4.776 -19.753 1.00 0.00 C ATOM 0 H MET A 71 19.075 -6.871 -22.383 1.00 0.00 H new ATOM 0 HA MET A 71 16.153 -7.492 -22.465 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.770 -4.903 -22.321 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.037 -4.924 -22.582 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.985 -6.495 -20.445 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.585 -5.849 -20.135 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.582 -3.995 -19.343 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.830 -5.097 -20.718 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.242 -5.624 -19.069 1.00 0.00 H new ATOM 1206 N GLN A 72 17.463 -7.643 -25.073 1.00 0.00 N ATOM 1207 CA GLN A 72 17.405 -7.522 -26.566 1.00 0.00 C ATOM 1208 C GLN A 72 15.970 -7.800 -27.033 1.00 0.00 C ATOM 1209 O GLN A 72 15.576 -8.953 -27.201 1.00 0.00 O ATOM 1210 CB GLN A 72 18.356 -8.535 -27.221 1.00 0.00 C ATOM 1211 CG GLN A 72 19.766 -7.942 -27.301 1.00 0.00 C ATOM 1212 CD GLN A 72 20.002 -7.370 -28.704 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.447 -8.084 -29.600 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.729 -6.112 -28.952 1.00 0.00 N ATOM 0 H GLN A 72 17.940 -8.473 -24.719 1.00 0.00 H new ATOM 0 HA GLN A 72 17.708 -6.516 -26.856 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.372 -9.459 -26.644 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.001 -8.789 -28.220 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.885 -7.159 -26.553 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.508 -8.710 -27.080 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.359 -5.515 -28.212 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.886 -5.730 -29.885 1.00 0.00 H new ATOM 1215 N GLY A 73 15.173 -6.773 -27.239 1.00 0.00 N ATOM 1216 CA GLY A 73 13.768 -7.003 -27.685 1.00 0.00 C ATOM 1217 C GLY A 73 12.906 -7.365 -26.467 1.00 0.00 C ATOM 1218 O GLY A 73 12.461 -8.504 -26.327 1.00 0.00 O ATOM 0 H GLY A 73 15.437 -5.795 -27.117 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.377 -6.109 -28.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.734 -7.806 -28.421 1.00 0.00 H new ATOM 1219 N PHE A 74 12.662 -6.426 -25.576 1.00 0.00 N ATOM 1220 CA PHE A 74 11.835 -6.739 -24.374 1.00 0.00 C ATOM 1221 C PHE A 74 10.738 -5.670 -24.214 1.00 0.00 C ATOM 1222 O PHE A 74 10.850 -4.588 -24.785 1.00 0.00 O ATOM 1223 CB PHE A 74 12.735 -6.745 -23.129 1.00 0.00 C ATOM 1224 CG PHE A 74 12.728 -8.117 -22.492 1.00 0.00 C ATOM 1225 CD1 PHE A 74 12.980 -9.253 -23.272 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.470 -8.252 -21.123 1.00 0.00 C ATOM 1227 CE1 PHE A 74 12.975 -10.523 -22.681 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.465 -9.521 -20.533 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.716 -10.656 -21.312 1.00 0.00 C ATOM 0 H PHE A 74 13.000 -5.465 -25.634 1.00 0.00 H new ATOM 0 HA PHE A 74 11.370 -7.718 -24.492 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.753 -6.468 -23.404 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.385 -6.001 -22.413 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.178 -9.150 -24.329 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.275 -7.376 -20.522 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.171 -11.399 -23.281 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.267 -9.624 -19.476 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.710 -11.635 -20.857 1.00 0.00 H new ATOM 1230 N PRO A 75 9.704 -5.976 -23.447 1.00 0.00 N ATOM 1231 CA PRO A 75 8.596 -5.030 -23.222 1.00 0.00 C ATOM 1232 C PRO A 75 9.023 -3.942 -22.225 1.00 0.00 C ATOM 1233 O PRO A 75 9.683 -4.226 -21.228 1.00 0.00 O ATOM 1234 CB PRO A 75 7.480 -5.903 -22.643 1.00 0.00 C ATOM 1235 CG PRO A 75 8.167 -7.154 -22.047 1.00 0.00 C ATOM 1236 CD PRO A 75 9.539 -7.270 -22.736 1.00 0.00 C ATOM 0 HA PRO A 75 8.285 -4.509 -24.127 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.923 -5.364 -21.877 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.766 -6.184 -23.417 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.282 -7.056 -20.968 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.567 -8.047 -22.224 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.336 -7.429 -22.010 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.566 -8.111 -23.429 1.00 0.00 H new ATOM 1237 N PHE A 76 8.668 -2.700 -22.474 1.00 0.00 N ATOM 1238 CA PHE A 76 9.067 -1.611 -21.538 1.00 0.00 C ATOM 1239 C PHE A 76 7.830 -0.773 -21.176 1.00 0.00 C ATOM 1240 O PHE A 76 7.454 -0.683 -20.009 1.00 0.00 O ATOM 1241 CB PHE A 76 10.122 -0.731 -22.224 1.00 0.00 C ATOM 1242 CG PHE A 76 10.597 0.387 -21.309 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.650 0.213 -19.914 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.000 1.604 -21.871 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.101 1.255 -19.097 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.451 2.643 -21.052 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.501 2.469 -19.664 1.00 0.00 C ATOM 0 H PHE A 76 8.122 -2.401 -23.282 1.00 0.00 H new ATOM 0 HA PHE A 76 9.486 -2.033 -20.625 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.972 -1.345 -22.521 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.704 -0.304 -23.135 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.343 -0.724 -19.474 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.962 1.741 -22.942 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.140 1.122 -18.026 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.761 3.580 -21.490 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.848 3.272 -19.031 1.00 0.00 H new ATOM 1248 N TYR A 77 7.180 -0.167 -22.147 1.00 0.00 N ATOM 1249 CA TYR A 77 5.970 0.643 -21.841 1.00 0.00 C ATOM 1250 C TYR A 77 4.784 0.099 -22.649 1.00 0.00 C ATOM 1251 O TYR A 77 4.303 0.747 -23.579 1.00 0.00 O ATOM 1252 CB TYR A 77 6.223 2.105 -22.220 1.00 0.00 C ATOM 1253 CG TYR A 77 6.631 2.881 -20.992 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.826 2.571 -20.335 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.814 3.912 -20.512 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.205 3.288 -19.198 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.193 4.631 -19.371 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.388 4.318 -18.714 1.00 0.00 C ATOM 1259 OH TYR A 77 7.762 5.024 -17.590 1.00 0.00 O ATOM 0 H TYR A 77 7.440 -0.203 -23.133 1.00 0.00 H new ATOM 0 HA TYR A 77 5.746 0.582 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.005 2.165 -22.977 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.323 2.540 -22.655 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.456 1.777 -20.707 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.892 4.153 -21.021 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.128 3.048 -18.692 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.564 5.426 -18.999 1.00 0.00 H new ATOM 0 HH TYR A 77 8.689 5.327 -17.687 1.00 0.00 H new ATOM 1260 N ASP A 78 4.301 -1.084 -22.326 1.00 0.00 N ATOM 1261 CA ASP A 78 3.155 -1.654 -23.093 1.00 0.00 C ATOM 1262 C ASP A 78 3.550 -1.772 -24.574 1.00 0.00 C ATOM 1263 O ASP A 78 2.760 -1.458 -25.463 1.00 0.00 O ATOM 1264 CB ASP A 78 1.940 -0.733 -22.960 1.00 0.00 C ATOM 1265 CG ASP A 78 1.644 -0.488 -21.479 1.00 0.00 C ATOM 1266 OD1 ASP A 78 2.503 0.059 -20.807 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.564 -0.852 -21.043 1.00 0.00 O ATOM 0 H ASP A 78 4.652 -1.670 -21.569 1.00 0.00 H new ATOM 0 HA ASP A 78 2.904 -2.639 -22.699 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.131 0.214 -23.465 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.074 -1.184 -23.445 1.00 0.00 H new ATOM 1268 N LYS A 79 4.758 -2.212 -24.861 1.00 0.00 N ATOM 1269 CA LYS A 79 5.185 -2.334 -26.291 1.00 0.00 C ATOM 1270 C LYS A 79 6.605 -2.945 -26.363 1.00 0.00 C ATOM 1271 O LYS A 79 7.451 -2.607 -25.538 1.00 0.00 O ATOM 1272 CB LYS A 79 5.198 -0.935 -26.921 1.00 0.00 C ATOM 1273 CG LYS A 79 5.589 -1.030 -28.397 1.00 0.00 C ATOM 1274 CD LYS A 79 5.826 0.375 -28.954 1.00 0.00 C ATOM 1275 CE LYS A 79 6.839 0.307 -30.099 1.00 0.00 C ATOM 1276 NZ LYS A 79 6.115 0.136 -31.391 1.00 0.00 N ATOM 0 H LYS A 79 5.458 -2.488 -24.172 1.00 0.00 H new ATOM 0 HA LYS A 79 4.492 -2.981 -26.829 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.214 -0.475 -26.826 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.902 -0.295 -26.390 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.490 -1.633 -28.507 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.801 -1.528 -28.962 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.887 0.800 -29.310 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.195 1.032 -28.167 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.439 1.217 -30.123 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.527 -0.524 -29.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.802 0.090 -32.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.561 -0.744 -31.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.476 0.943 -31.540 1.00 0.00 H new ATOM 1277 N PRO A 80 6.855 -3.817 -27.330 1.00 0.00 N ATOM 1278 CA PRO A 80 8.181 -4.445 -27.474 1.00 0.00 C ATOM 1279 C PRO A 80 9.172 -3.451 -28.101 1.00 0.00 C ATOM 1280 O PRO A 80 8.786 -2.599 -28.900 1.00 0.00 O ATOM 1281 CB PRO A 80 7.927 -5.635 -28.403 1.00 0.00 C ATOM 1282 CG PRO A 80 6.631 -5.313 -29.181 1.00 0.00 C ATOM 1283 CD PRO A 80 5.871 -4.259 -28.353 1.00 0.00 C ATOM 0 HA PRO A 80 8.617 -4.751 -26.523 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.764 -5.780 -29.086 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.818 -6.557 -27.832 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.861 -4.932 -30.176 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.026 -6.210 -29.315 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.542 -3.426 -28.975 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.980 -4.683 -27.891 1.00 0.00 H new ATOM 1284 N MET A 81 10.439 -3.531 -27.752 1.00 0.00 N ATOM 1285 CA MET A 81 11.430 -2.576 -28.332 1.00 0.00 C ATOM 1286 C MET A 81 12.818 -3.232 -28.394 1.00 0.00 C ATOM 1287 O MET A 81 13.200 -3.987 -27.500 1.00 0.00 O ATOM 1288 CB MET A 81 11.502 -1.321 -27.455 1.00 0.00 C ATOM 1289 CG MET A 81 11.741 -1.722 -25.996 1.00 0.00 C ATOM 1290 SD MET A 81 12.901 -0.562 -25.233 1.00 0.00 S ATOM 1291 CE MET A 81 13.688 -1.739 -24.105 1.00 0.00 C ATOM 0 H MET A 81 10.822 -4.212 -27.096 1.00 0.00 H new ATOM 0 HA MET A 81 11.116 -2.305 -29.340 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.306 -0.671 -27.800 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.575 -0.754 -27.539 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.798 -1.723 -25.449 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.139 -2.736 -25.947 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.417 -1.217 -23.485 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.930 -2.195 -23.468 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.192 -2.514 -24.682 1.00 0.00 H new ATOM 1292 N ARG A 82 13.587 -2.955 -29.427 1.00 0.00 N ATOM 1293 CA ARG A 82 14.947 -3.560 -29.526 1.00 0.00 C ATOM 1294 C ARG A 82 15.981 -2.545 -29.024 1.00 0.00 C ATOM 1295 O ARG A 82 15.807 -1.338 -29.188 1.00 0.00 O ATOM 1296 CB ARG A 82 15.247 -3.917 -30.985 1.00 0.00 C ATOM 1297 CG ARG A 82 14.683 -5.305 -31.297 1.00 0.00 C ATOM 1298 CD ARG A 82 13.161 -5.221 -31.429 1.00 0.00 C ATOM 1299 NE ARG A 82 12.682 -6.291 -32.349 1.00 0.00 N ATOM 1300 CZ ARG A 82 11.680 -7.051 -32.000 1.00 0.00 C ATOM 1301 NH1 ARG A 82 10.534 -6.514 -31.678 1.00 0.00 N ATOM 1302 NH2 ARG A 82 11.824 -8.348 -31.973 1.00 0.00 N ATOM 0 H ARG A 82 13.328 -2.339 -30.198 1.00 0.00 H new ATOM 0 HA ARG A 82 14.992 -4.465 -28.920 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.805 -3.175 -31.650 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.323 -3.902 -31.160 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.118 -5.686 -32.221 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.952 -6.005 -30.505 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.694 -5.332 -30.450 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.872 -4.242 -31.811 1.00 0.00 H new ATOM 0 HE ARG A 82 13.137 -6.429 -33.251 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.422 -5.500 -31.699 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.751 -7.108 -31.405 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.719 -8.767 -32.225 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.041 -8.942 -31.700 1.00 0.00 H new ATOM 1303 N ILE A 83 17.050 -2.998 -28.407 1.00 0.00 N ATOM 1304 CA ILE A 83 18.071 -2.038 -27.897 1.00 0.00 C ATOM 1305 C ILE A 83 19.378 -2.184 -28.691 1.00 0.00 C ATOM 1306 O ILE A 83 19.822 -3.294 -28.980 1.00 0.00 O ATOM 1307 CB ILE A 83 18.346 -2.317 -26.419 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.027 -2.325 -25.644 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.259 -1.224 -25.859 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.289 -2.751 -24.198 1.00 0.00 C ATOM 0 H ILE A 83 17.254 -3.983 -28.238 1.00 0.00 H new ATOM 0 HA ILE A 83 17.690 -1.024 -28.016 1.00 0.00 H new ATOM 0 HB ILE A 83 18.831 -3.288 -26.317 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.574 -1.334 -25.666 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.321 -3.009 -26.114 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.457 -1.420 -24.805 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.199 -1.218 -26.410 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.772 -0.255 -25.962 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.350 -2.757 -23.645 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.724 -3.751 -24.186 1.00 0.00 H new ATOM 0 HD13 ILE A 83 17.980 -2.049 -23.732 1.00 0.00 H new ATOM 1311 N GLN A 84 20.011 -1.085 -29.039 1.00 0.00 N ATOM 1312 CA GLN A 84 21.292 -1.164 -29.798 1.00 0.00 C ATOM 1313 C GLN A 84 22.311 -0.226 -29.135 1.00 0.00 C ATOM 1314 O GLN A 84 21.979 0.900 -28.779 1.00 0.00 O ATOM 1315 CB GLN A 84 21.062 -0.731 -31.246 1.00 0.00 C ATOM 1316 CG GLN A 84 20.379 0.638 -31.269 1.00 0.00 C ATOM 1317 CD GLN A 84 20.242 1.119 -32.720 1.00 0.00 C ATOM 1318 OE1 GLN A 84 20.930 0.621 -33.608 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.385 2.066 -33.017 1.00 0.00 N ATOM 0 H GLN A 84 19.691 -0.140 -28.828 1.00 0.00 H new ATOM 0 HA GLN A 84 21.666 -2.188 -29.791 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.012 -0.684 -31.778 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.444 -1.466 -31.762 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.396 0.574 -30.802 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.960 1.356 -30.690 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.811 2.483 -32.284 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.292 2.386 -33.981 1.00 0.00 H new ATOM 1320 N TYR A 85 23.539 -0.665 -28.944 1.00 0.00 N ATOM 1321 CA TYR A 85 24.562 0.215 -28.276 1.00 0.00 C ATOM 1322 C TYR A 85 24.564 1.624 -28.897 1.00 0.00 C ATOM 1323 O TYR A 85 23.949 1.861 -29.935 1.00 0.00 O ATOM 1324 CB TYR A 85 25.962 -0.393 -28.422 1.00 0.00 C ATOM 1325 CG TYR A 85 26.063 -1.622 -27.553 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.037 -1.499 -26.158 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.179 -2.886 -28.142 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.127 -2.639 -25.353 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.268 -4.026 -27.338 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.241 -3.905 -25.945 1.00 0.00 C ATOM 1331 OH TYR A 85 26.328 -5.033 -25.158 1.00 0.00 O ATOM 0 H TYR A 85 23.875 -1.588 -29.219 1.00 0.00 H new ATOM 0 HA TYR A 85 24.299 0.289 -27.221 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.152 -0.653 -29.463 1.00 0.00 H new ATOM 0 HB3 TYR A 85 26.720 0.335 -28.132 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.947 -0.523 -25.704 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.200 -2.981 -29.218 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.109 -2.544 -24.277 1.00 0.00 H new ATOM 0 HE2 TYR A 85 26.358 -5.001 -27.793 1.00 0.00 H new ATOM 0 HH TYR A 85 26.401 -5.826 -25.729 1.00 0.00 H new ATOM 1332 N ALA A 86 25.248 2.567 -28.279 1.00 0.00 N ATOM 1333 CA ALA A 86 25.287 3.950 -28.833 1.00 0.00 C ATOM 1334 C ALA A 86 26.544 4.114 -29.699 1.00 0.00 C ATOM 1335 O ALA A 86 27.653 3.817 -29.256 1.00 0.00 O ATOM 1336 CB ALA A 86 25.322 4.966 -27.688 1.00 0.00 C ATOM 0 H ALA A 86 25.777 2.431 -27.418 1.00 0.00 H new ATOM 0 HA ALA A 86 24.397 4.122 -29.439 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.350 5.976 -28.098 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.431 4.850 -27.071 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.210 4.797 -27.078 1.00 0.00 H new ATOM 1337 N LYS A 87 26.407 4.579 -30.924 1.00 0.00 N ATOM 1338 CA LYS A 87 27.618 4.749 -31.794 1.00 0.00 C ATOM 1339 C LYS A 87 28.661 5.625 -31.075 1.00 0.00 C ATOM 1340 O LYS A 87 29.862 5.377 -31.171 1.00 0.00 O ATOM 1341 CB LYS A 87 27.234 5.401 -33.134 1.00 0.00 C ATOM 1342 CG LYS A 87 26.633 6.789 -32.892 1.00 0.00 C ATOM 1343 CD LYS A 87 26.282 7.433 -34.236 1.00 0.00 C ATOM 1344 CE LYS A 87 24.888 6.981 -34.679 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.017 5.914 -35.713 1.00 0.00 N ATOM 0 H LYS A 87 25.520 4.844 -31.353 1.00 0.00 H new ATOM 0 HA LYS A 87 28.043 3.765 -31.991 1.00 0.00 H new ATOM 0 HB2 LYS A 87 28.114 5.484 -33.772 1.00 0.00 H new ATOM 0 HB3 LYS A 87 26.516 4.772 -33.661 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.741 6.708 -32.271 1.00 0.00 H new ATOM 0 HG3 LYS A 87 27.342 7.415 -32.350 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.311 8.519 -34.148 1.00 0.00 H new ATOM 0 HD3 LYS A 87 27.021 7.154 -34.987 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.326 6.607 -33.823 1.00 0.00 H new ATOM 0 HE3 LYS A 87 24.330 7.827 -35.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.186 5.934 -36.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.877 6.077 -36.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.079 4.986 -35.248 1.00 0.00 H new ATOM 1346 N THR A 88 28.235 6.643 -30.355 1.00 0.00 N ATOM 1347 CA THR A 88 29.216 7.511 -29.644 1.00 0.00 C ATOM 1348 C THR A 88 29.289 7.100 -28.167 1.00 0.00 C ATOM 1349 O THR A 88 28.584 6.189 -27.732 1.00 0.00 O ATOM 1350 CB THR A 88 28.775 8.975 -29.745 1.00 0.00 C ATOM 1351 OG1 THR A 88 27.363 9.053 -29.606 1.00 0.00 O ATOM 1352 CG2 THR A 88 29.189 9.541 -31.104 1.00 0.00 C ATOM 0 H THR A 88 27.256 6.903 -30.234 1.00 0.00 H new ATOM 0 HA THR A 88 30.198 7.396 -30.102 1.00 0.00 H new ATOM 0 HB THR A 88 29.250 9.554 -28.953 1.00 0.00 H new ATOM 0 HG1 THR A 88 27.079 9.989 -29.669 1.00 0.00 H new ATOM 0 HG21 THR A 88 28.875 10.582 -31.175 1.00 0.00 H new ATOM 0 HG22 THR A 88 30.272 9.481 -31.209 1.00 0.00 H new ATOM 0 HG23 THR A 88 28.715 8.964 -31.898 1.00 0.00 H new ATOM 1353 N ASP A 89 30.124 7.745 -27.380 1.00 0.00 N ATOM 1354 CA ASP A 89 30.225 7.377 -25.939 1.00 0.00 C ATOM 1355 C ASP A 89 29.786 8.567 -25.073 1.00 0.00 C ATOM 1356 O ASP A 89 29.497 9.646 -25.588 1.00 0.00 O ATOM 1357 CB ASP A 89 31.674 7.012 -25.607 1.00 0.00 C ATOM 1358 CG ASP A 89 32.129 5.860 -26.504 1.00 0.00 C ATOM 1359 OD1 ASP A 89 31.642 4.758 -26.312 1.00 0.00 O ATOM 1360 OD2 ASP A 89 32.958 6.099 -27.367 1.00 0.00 O ATOM 0 H ASP A 89 30.735 8.506 -27.678 1.00 0.00 H new ATOM 0 HA ASP A 89 29.579 6.523 -25.736 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.321 7.877 -25.753 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.757 6.725 -24.559 1.00 0.00 H new ATOM 1361 N SER A 90 29.730 8.400 -23.768 1.00 0.00 N ATOM 1362 CA SER A 90 29.310 9.533 -22.892 1.00 0.00 C ATOM 1363 C SER A 90 30.556 10.218 -22.314 1.00 0.00 C ATOM 1364 O SER A 90 31.656 9.669 -22.370 1.00 0.00 O ATOM 1365 CB SER A 90 28.445 9.003 -21.746 1.00 0.00 C ATOM 1366 OG SER A 90 29.059 7.848 -21.190 1.00 0.00 O ATOM 0 H SER A 90 29.956 7.533 -23.280 1.00 0.00 H new ATOM 0 HA SER A 90 28.735 10.250 -23.478 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.326 9.770 -20.980 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.447 8.759 -22.111 1.00 0.00 H new ATOM 0 HG SER A 90 28.585 7.046 -21.495 1.00 0.00 H new ATOM 1367 N ASP A 91 30.416 11.405 -21.762 1.00 0.00 N ATOM 1368 CA ASP A 91 31.603 12.101 -21.195 1.00 0.00 C ATOM 1369 C ASP A 91 31.634 12.016 -19.660 1.00 0.00 C ATOM 1370 O ASP A 91 32.637 12.384 -19.050 1.00 0.00 O ATOM 1371 CB ASP A 91 31.590 13.569 -21.625 1.00 0.00 C ATOM 1372 CG ASP A 91 32.912 14.228 -21.233 1.00 0.00 C ATOM 1373 OD1 ASP A 91 33.018 14.671 -20.100 1.00 0.00 O ATOM 1374 OD2 ASP A 91 33.798 14.279 -22.070 1.00 0.00 O ATOM 0 H ASP A 91 29.535 11.912 -21.684 1.00 0.00 H new ATOM 0 HA ASP A 91 32.495 11.605 -21.577 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.441 13.642 -22.702 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.758 14.090 -21.152 1.00 0.00 H new ATOM 1375 N ILE A 92 30.595 11.527 -19.003 1.00 0.00 N ATOM 1376 CA ILE A 92 30.667 11.425 -17.513 1.00 0.00 C ATOM 1377 C ILE A 92 31.900 10.577 -17.112 1.00 0.00 C ATOM 1378 O ILE A 92 32.437 10.745 -16.020 1.00 0.00 O ATOM 1379 CB ILE A 92 29.383 10.801 -16.938 1.00 0.00 C ATOM 1380 CG1 ILE A 92 29.033 9.497 -17.678 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.230 11.796 -17.082 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.794 8.375 -16.664 1.00 0.00 C ATOM 0 H ILE A 92 29.726 11.204 -19.428 1.00 0.00 H new ATOM 0 HA ILE A 92 30.765 12.429 -17.100 1.00 0.00 H new ATOM 0 HB ILE A 92 29.546 10.569 -15.885 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.143 9.643 -18.290 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.843 9.223 -18.354 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.318 11.358 -16.676 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.468 12.710 -16.537 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.081 12.031 -18.136 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.547 7.454 -17.192 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.696 8.222 -16.071 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.969 8.649 -16.006 1.00 0.00 H new ATOM 1383 N ILE A 93 32.386 9.690 -17.975 1.00 0.00 N ATOM 1384 CA ILE A 93 33.599 8.888 -17.610 1.00 0.00 C ATOM 1385 C ILE A 93 34.836 9.784 -17.779 1.00 0.00 C ATOM 1386 O ILE A 93 35.760 9.744 -16.972 1.00 0.00 O ATOM 1387 CB ILE A 93 33.779 7.646 -18.517 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.438 7.032 -18.979 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.562 6.583 -17.744 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.460 6.918 -17.811 1.00 0.00 C ATOM 0 H ILE A 93 31.996 9.497 -18.897 1.00 0.00 H new ATOM 0 HA ILE A 93 33.476 8.543 -16.583 1.00 0.00 H new ATOM 0 HB ILE A 93 34.311 7.973 -19.410 1.00 0.00 H new ATOM 0 HG12 ILE A 93 32.002 7.649 -19.765 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.614 6.046 -19.409 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.696 5.702 -18.371 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.537 6.981 -17.464 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.011 6.308 -16.845 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.524 6.483 -18.161 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.889 6.281 -17.038 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.268 7.909 -17.399 1.00 0.00 H new