USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=21 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 71 MET CE :methyl -160:sc= -2.77 (180deg=-4.01!) USER MOD Set 1.2: A 81 MET CE :methyl 166:sc= -0.304 (180deg=-0.067) USER MOD Set 2.1: A 17 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.5!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 65 THR OG1 : rot -56:sc= 0.46 USER MOD Set 3.2: A 85 TYR OH : rot -144:sc= -2.53! USER MOD Set 4.1: A 28 SER OG : rot -160:sc= 1.01 USER MOD Set 4.2: A 77 TYR OH : rot -53:sc= -1.44! USER MOD Set 5.1: A 12 TYR OH : rot 19:sc= 0.0559 USER MOD Set 5.2: A 53 GLN :FLIP amide:sc= 0.708 F(o=-4.9,f=0.76) USER MOD Single : A 8 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Single : A 9 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-9.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 14 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.9) USER MOD Single : A 15 ASN : amide:sc= -0.933 K(o=-0.93,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0065 (180deg=-0.169) 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+ 166:sc= 0 (180deg=-0.0934) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.013 F(o=-1.3,f=-0.013) USER MOD Single : A 34 SER OG : rot -3:sc= -0.857! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.38 USER MOD Single : A 63 SER OG : rot -110:sc= 0.532 USER MOD Single : A 66 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.021) USER MOD Single : A 70 SER OG : rot 82:sc= 1.06 USER MOD Single : A 72 GLN : amide:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 90 SER OG : rot 160:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 32.302 -1.660 -28.410 1.00 0.00 N ATOM 683 CA PRO A 7 31.934 -2.037 -27.033 1.00 0.00 C ATOM 684 C PRO A 7 32.111 -0.843 -26.082 1.00 0.00 C ATOM 685 O PRO A 7 33.229 -0.395 -25.832 1.00 0.00 O ATOM 686 CB PRO A 7 32.917 -3.159 -26.688 1.00 0.00 C ATOM 687 CG PRO A 7 34.132 -2.984 -27.629 1.00 0.00 C ATOM 688 CD PRO A 7 33.646 -2.143 -28.823 1.00 0.00 C ATOM 0 HA PRO A 7 30.893 -2.347 -26.940 1.00 0.00 H new ATOM 0 HB2 PRO A 7 33.223 -3.099 -25.644 1.00 0.00 H new ATOM 0 HB3 PRO A 7 32.455 -4.136 -26.829 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.953 -2.486 -27.113 1.00 0.00 H new ATOM 0 HG3 PRO A 7 34.506 -3.952 -27.963 1.00 0.00 H new ATOM 0 HD2 PRO A 7 34.322 -1.312 -29.026 1.00 0.00 H new ATOM 0 HD3 PRO A 7 33.592 -2.739 -29.734 1.00 0.00 H new ATOM 689 N ASN A 8 31.033 -0.315 -25.543 1.00 0.00 N ATOM 690 CA ASN A 8 31.152 0.844 -24.611 1.00 0.00 C ATOM 691 C ASN A 8 30.169 0.643 -23.448 1.00 0.00 C ATOM 692 O ASN A 8 29.605 -0.439 -23.290 1.00 0.00 O ATOM 693 CB ASN A 8 30.812 2.138 -25.362 1.00 0.00 C ATOM 694 CG ASN A 8 31.601 2.196 -26.677 1.00 0.00 C ATOM 695 OD1 ASN A 8 32.790 1.887 -26.702 1.00 0.00 O ATOM 696 ND2 ASN A 8 31.007 2.580 -27.781 1.00 0.00 N ATOM 0 H ASN A 8 30.081 -0.640 -25.711 1.00 0.00 H new ATOM 0 HA ASN A 8 32.169 0.913 -24.225 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.742 2.181 -25.567 1.00 0.00 H new ATOM 0 HB3 ASN A 8 31.053 3.003 -24.744 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.532 2.621 -28.655 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.020 2.838 -27.766 1.00 0.00 H new ATOM 697 N HIS A 9 29.935 1.652 -22.632 1.00 0.00 N ATOM 698 CA HIS A 9 28.970 1.476 -21.504 1.00 0.00 C ATOM 699 C HIS A 9 27.836 2.494 -21.646 1.00 0.00 C ATOM 700 O HIS A 9 27.489 3.192 -20.696 1.00 0.00 O ATOM 701 CB HIS A 9 29.649 1.637 -20.128 1.00 0.00 C ATOM 702 CG HIS A 9 30.750 2.668 -20.150 1.00 0.00 C ATOM 703 ND1 HIS A 9 31.922 2.495 -20.870 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.888 3.865 -19.497 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.707 3.560 -20.626 1.00 0.00 C ATOM 706 NE2 HIS A 9 32.123 4.427 -19.798 1.00 0.00 N ATOM 0 H HIS A 9 30.366 2.574 -22.701 1.00 0.00 H new ATOM 0 HA HIS A 9 28.576 0.461 -21.555 1.00 0.00 H new ATOM 0 HB2 HIS A 9 28.902 1.923 -19.388 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.059 0.677 -19.813 1.00 0.00 H new ATOM 0 HD1 HIS A 9 32.148 1.705 -21.474 1.00 0.00 H new ATOM 0 HD2 HIS A 9 30.148 4.306 -18.846 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.691 3.696 -21.049 1.00 0.00 H new ATOM 707 N THR A 10 27.238 2.589 -22.812 1.00 0.00 N ATOM 708 CA THR A 10 26.118 3.552 -22.997 1.00 0.00 C ATOM 709 C THR A 10 25.089 2.941 -23.956 1.00 0.00 C ATOM 710 O THR A 10 25.140 3.172 -25.161 1.00 0.00 O ATOM 711 CB THR A 10 26.646 4.861 -23.580 1.00 0.00 C ATOM 712 OG1 THR A 10 27.816 5.254 -22.878 1.00 0.00 O ATOM 713 CG2 THR A 10 25.574 5.943 -23.438 1.00 0.00 C ATOM 0 H THR A 10 27.480 2.041 -23.637 1.00 0.00 H new ATOM 0 HA THR A 10 25.652 3.757 -22.033 1.00 0.00 H new ATOM 0 HB THR A 10 26.888 4.723 -24.634 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.156 6.093 -23.253 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.946 6.880 -23.853 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.676 5.639 -23.976 1.00 0.00 H new ATOM 0 HG23 THR A 10 25.335 6.082 -22.384 1.00 0.00 H new ATOM 714 N ILE A 11 24.160 2.156 -23.454 1.00 0.00 N ATOM 715 CA ILE A 11 23.153 1.531 -24.370 1.00 0.00 C ATOM 716 C ILE A 11 22.227 2.614 -24.943 1.00 0.00 C ATOM 717 O ILE A 11 22.234 3.758 -24.491 1.00 0.00 O ATOM 718 CB ILE A 11 22.322 0.476 -23.625 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.589 1.127 -22.449 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.245 -0.629 -23.103 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.452 0.215 -21.989 1.00 0.00 C ATOM 0 H ILE A 11 24.058 1.925 -22.466 1.00 0.00 H new ATOM 0 HA ILE A 11 23.685 1.040 -25.185 1.00 0.00 H new ATOM 0 HB ILE A 11 21.591 0.047 -24.310 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.283 1.304 -21.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.193 2.098 -22.746 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.654 -1.377 -22.574 1.00 0.00 H new ATOM 0 HG22 ILE A 11 23.760 -1.099 -23.941 1.00 0.00 H new ATOM 0 HG23 ILE A 11 23.979 -0.198 -22.422 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.930 0.678 -21.152 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.754 0.061 -22.812 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.860 -0.746 -21.675 1.00 0.00 H new ATOM 722 N TYR A 12 21.436 2.282 -25.940 1.00 0.00 N ATOM 723 CA TYR A 12 20.525 3.297 -26.546 1.00 0.00 C ATOM 724 C TYR A 12 19.265 2.590 -27.088 1.00 0.00 C ATOM 725 O TYR A 12 19.350 1.517 -27.682 1.00 0.00 O ATOM 726 CB TYR A 12 21.279 4.014 -27.685 1.00 0.00 C ATOM 727 CG TYR A 12 20.322 4.799 -28.562 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.848 6.050 -28.147 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.912 4.266 -29.788 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.963 6.767 -28.962 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.027 4.982 -30.602 1.00 0.00 C ATOM 732 CZ TYR A 12 18.552 6.232 -30.190 1.00 0.00 C ATOM 733 OH TYR A 12 17.677 6.938 -30.994 1.00 0.00 O ATOM 0 H TYR A 12 21.386 1.352 -26.356 1.00 0.00 H new ATOM 0 HA TYR A 12 20.217 4.031 -25.801 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.027 4.686 -27.264 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.814 3.281 -28.289 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.165 6.461 -27.200 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.278 3.301 -30.107 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.597 7.732 -28.644 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.710 4.570 -31.549 1.00 0.00 H new ATOM 0 HH TYR A 12 17.674 7.881 -30.726 1.00 0.00 H new ATOM 734 N ILE A 13 18.101 3.171 -26.900 1.00 0.00 N ATOM 735 CA ILE A 13 16.857 2.530 -27.409 1.00 0.00 C ATOM 736 C ILE A 13 16.090 3.542 -28.272 1.00 0.00 C ATOM 737 O ILE A 13 15.920 4.694 -27.879 1.00 0.00 O ATOM 738 CB ILE A 13 15.985 2.102 -26.225 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.815 1.240 -25.253 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.790 1.296 -26.739 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.711 1.810 -23.836 1.00 0.00 C ATOM 0 H ILE A 13 17.965 4.059 -26.417 1.00 0.00 H new ATOM 0 HA ILE A 13 17.110 1.654 -28.007 1.00 0.00 H new ATOM 0 HB ILE A 13 15.626 2.987 -25.700 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.456 0.211 -25.268 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.857 1.219 -25.571 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.168 0.990 -25.898 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.202 1.911 -27.420 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.147 0.411 -27.266 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.299 1.197 -23.153 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.091 2.831 -23.826 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.668 1.808 -23.519 1.00 0.00 H new ATOM 742 N ASN A 14 15.626 3.145 -29.437 1.00 0.00 N ATOM 743 CA ASN A 14 14.876 4.103 -30.302 1.00 0.00 C ATOM 744 C ASN A 14 13.546 3.469 -30.739 1.00 0.00 C ATOM 745 O ASN A 14 13.123 3.623 -31.882 1.00 0.00 O ATOM 746 CB ASN A 14 15.714 4.438 -31.540 1.00 0.00 C ATOM 747 CG ASN A 14 16.033 3.151 -32.311 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.862 2.355 -31.874 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.422 2.897 -33.443 1.00 0.00 N ATOM 0 H ASN A 14 15.735 2.206 -29.820 1.00 0.00 H new ATOM 0 HA ASN A 14 14.675 5.016 -29.742 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.172 5.133 -32.181 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.638 4.934 -31.243 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.635 2.042 -33.957 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.734 3.554 -33.810 1.00 0.00 H new ATOM 750 N ASN A 15 12.874 2.762 -29.856 1.00 0.00 N ATOM 751 CA ASN A 15 11.578 2.132 -30.237 1.00 0.00 C ATOM 752 C ASN A 15 10.603 2.229 -29.054 1.00 0.00 C ATOM 753 O ASN A 15 9.894 1.273 -28.745 1.00 0.00 O ATOM 754 CB ASN A 15 11.809 0.660 -30.586 1.00 0.00 C ATOM 755 CG ASN A 15 12.108 0.529 -32.084 1.00 0.00 C ATOM 756 OD1 ASN A 15 12.977 1.223 -32.609 1.00 0.00 O ATOM 757 ND2 ASN A 15 11.435 -0.328 -32.813 1.00 0.00 N ATOM 0 H ASN A 15 13.170 2.598 -28.894 1.00 0.00 H new ATOM 0 HA ASN A 15 11.160 2.648 -31.101 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.640 0.263 -30.003 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.929 0.072 -30.328 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.633 -0.416 -33.810 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.713 -0.907 -32.384 1.00 0.00 H new ATOM 758 N LEU A 16 10.550 3.361 -28.384 1.00 0.00 N ATOM 759 CA LEU A 16 9.616 3.493 -27.226 1.00 0.00 C ATOM 760 C LEU A 16 8.314 4.163 -27.691 1.00 0.00 C ATOM 761 O LEU A 16 8.155 4.481 -28.868 1.00 0.00 O ATOM 762 CB LEU A 16 10.268 4.348 -26.131 1.00 0.00 C ATOM 763 CG LEU A 16 11.566 3.679 -25.657 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.769 4.370 -26.305 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.678 3.796 -24.134 1.00 0.00 C ATOM 0 H LEU A 16 11.109 4.189 -28.590 1.00 0.00 H new ATOM 0 HA LEU A 16 9.394 2.503 -26.827 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.481 5.346 -26.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.582 4.468 -25.293 1.00 0.00 H new ATOM 0 HG LEU A 16 11.551 2.627 -25.943 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.689 3.893 -25.966 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.695 4.288 -27.389 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.781 5.422 -26.021 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.600 3.321 -23.799 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.688 4.848 -23.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.825 3.303 -23.667 1.00 0.00 H new ATOM 766 N ASN A 17 7.379 4.393 -26.794 1.00 0.00 N ATOM 767 CA ASN A 17 6.099 5.048 -27.204 1.00 0.00 C ATOM 768 C ASN A 17 6.340 6.550 -27.373 1.00 0.00 C ATOM 769 O ASN A 17 7.288 7.105 -26.817 1.00 0.00 O ATOM 770 CB ASN A 17 5.019 4.824 -26.138 1.00 0.00 C ATOM 771 CG ASN A 17 3.632 5.004 -26.765 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.469 4.837 -27.971 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.612 5.339 -26.011 1.00 0.00 N ATOM 0 H ASN A 17 7.449 4.156 -25.804 1.00 0.00 H new ATOM 0 HA ASN A 17 5.760 4.613 -28.144 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.112 3.823 -25.717 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.152 5.529 -25.317 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.688 5.460 -26.427 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.743 5.479 -25.009 1.00 0.00 H new ATOM 774 N GLU A 18 5.509 7.224 -28.132 1.00 0.00 N ATOM 775 CA GLU A 18 5.705 8.690 -28.330 1.00 0.00 C ATOM 776 C GLU A 18 4.755 9.486 -27.417 1.00 0.00 C ATOM 777 O GLU A 18 4.270 10.550 -27.798 1.00 0.00 O ATOM 778 CB GLU A 18 5.424 9.039 -29.791 1.00 0.00 C ATOM 779 CG GLU A 18 6.680 8.782 -30.625 1.00 0.00 C ATOM 780 CD GLU A 18 6.279 8.356 -32.039 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.466 7.454 -32.157 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.793 8.937 -32.980 1.00 0.00 O ATOM 0 H GLU A 18 4.708 6.822 -28.620 1.00 0.00 H new ATOM 0 HA GLU A 18 6.732 8.951 -28.076 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.595 8.439 -30.167 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.125 10.084 -29.876 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.292 9.683 -30.666 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.286 8.005 -30.158 1.00 0.00 H new ATOM 783 N LYS A 19 4.482 9.009 -26.219 1.00 0.00 N ATOM 784 CA LYS A 19 3.573 9.763 -25.304 1.00 0.00 C ATOM 785 C LYS A 19 3.965 9.491 -23.839 1.00 0.00 C ATOM 786 O LYS A 19 3.105 9.404 -22.965 1.00 0.00 O ATOM 787 CB LYS A 19 2.129 9.314 -25.537 1.00 0.00 C ATOM 788 CG LYS A 19 1.780 9.473 -27.017 1.00 0.00 C ATOM 789 CD LYS A 19 0.267 9.337 -27.204 1.00 0.00 C ATOM 790 CE LYS A 19 -0.408 10.677 -26.905 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.201 11.606 -28.052 1.00 0.00 N ATOM 0 H LYS A 19 4.850 8.135 -25.843 1.00 0.00 H new ATOM 0 HA LYS A 19 3.662 10.830 -25.508 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.006 8.275 -25.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.449 9.907 -24.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.115 10.445 -27.378 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.299 8.718 -27.607 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.043 9.025 -28.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.124 8.565 -26.541 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.474 10.528 -26.732 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.006 11.109 -25.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.902 12.373 -28.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.757 12.009 -28.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.313 11.085 -28.945 1.00 0.00 H new ATOM 792 N ILE A 20 5.243 9.347 -23.549 1.00 0.00 N ATOM 793 CA ILE A 20 5.664 9.076 -22.144 1.00 0.00 C ATOM 794 C ILE A 20 6.050 10.384 -21.452 1.00 0.00 C ATOM 795 O ILE A 20 6.465 11.344 -22.100 1.00 0.00 O ATOM 796 CB ILE A 20 6.881 8.134 -22.124 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.690 6.979 -23.123 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.056 7.566 -20.714 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.389 6.238 -22.822 1.00 0.00 C ATOM 0 H ILE A 20 6.004 9.406 -24.226 1.00 0.00 H new ATOM 0 HA ILE A 20 4.829 8.610 -21.621 1.00 0.00 H new ATOM 0 HB ILE A 20 7.768 8.699 -22.411 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.670 7.368 -24.141 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.533 6.291 -23.061 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.917 6.898 -20.695 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.215 8.383 -20.010 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.161 7.012 -20.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.262 5.422 -23.534 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.426 5.834 -21.810 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.549 6.928 -22.907 1.00 0.00 H new ATOM 800 N LYS A 21 5.944 10.436 -20.143 1.00 0.00 N ATOM 801 CA LYS A 21 6.331 11.682 -19.423 1.00 0.00 C ATOM 802 C LYS A 21 7.853 11.680 -19.235 1.00 0.00 C ATOM 803 O LYS A 21 8.532 10.744 -19.658 1.00 0.00 O ATOM 804 CB LYS A 21 5.645 11.740 -18.053 1.00 0.00 C ATOM 805 CG LYS A 21 4.132 11.596 -18.232 1.00 0.00 C ATOM 806 CD LYS A 21 3.419 12.091 -16.973 1.00 0.00 C ATOM 807 CE LYS A 21 1.911 11.882 -17.126 1.00 0.00 C ATOM 808 NZ LYS A 21 1.563 10.479 -16.762 1.00 0.00 N ATOM 0 H LYS A 21 5.609 9.675 -19.552 1.00 0.00 H new ATOM 0 HA LYS A 21 6.021 12.551 -20.003 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.023 10.944 -17.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.875 12.684 -17.559 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.802 12.169 -19.099 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.875 10.554 -18.422 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.785 11.552 -16.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.636 13.147 -16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.370 12.580 -16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.607 12.089 -18.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.538 10.337 -16.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.069 9.822 -17.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.839 10.298 -15.776 1.00 0.00 H new ATOM 809 N LYS A 22 8.413 12.692 -18.612 1.00 0.00 N ATOM 810 CA LYS A 22 9.895 12.705 -18.413 1.00 0.00 C ATOM 811 C LYS A 22 10.237 11.939 -17.132 1.00 0.00 C ATOM 812 O LYS A 22 11.202 11.178 -17.096 1.00 0.00 O ATOM 813 CB LYS A 22 10.403 14.145 -18.306 1.00 0.00 C ATOM 814 CG LYS A 22 9.895 14.957 -19.500 1.00 0.00 C ATOM 815 CD LYS A 22 10.401 16.397 -19.392 1.00 0.00 C ATOM 816 CE LYS A 22 11.819 16.484 -19.959 1.00 0.00 C ATOM 817 NZ LYS A 22 12.128 17.900 -20.307 1.00 0.00 N ATOM 0 H LYS A 22 7.914 13.499 -18.238 1.00 0.00 H new ATOM 0 HA LYS A 22 10.376 12.228 -19.267 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.059 14.595 -17.374 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.493 14.156 -18.282 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.240 14.508 -20.431 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.805 14.944 -19.525 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.738 17.068 -19.938 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.394 16.719 -18.351 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.538 16.112 -19.229 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.908 15.853 -20.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.092 17.960 -20.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.449 18.239 -21.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.059 18.490 -19.453 1.00 0.00 H new ATOM 818 N ASP A 23 9.456 12.096 -16.089 1.00 0.00 N ATOM 819 CA ASP A 23 9.738 11.336 -14.838 1.00 0.00 C ATOM 820 C ASP A 23 9.281 9.880 -15.031 1.00 0.00 C ATOM 821 O ASP A 23 9.819 8.968 -14.406 1.00 0.00 O ATOM 822 CB ASP A 23 8.984 11.955 -13.653 1.00 0.00 C ATOM 823 CG ASP A 23 9.764 11.702 -12.361 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.667 12.473 -12.077 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.446 10.743 -11.679 1.00 0.00 O ATOM 0 H ASP A 23 8.644 12.712 -16.053 1.00 0.00 H new ATOM 0 HA ASP A 23 10.807 11.373 -14.627 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.857 13.026 -13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.986 11.523 -13.578 1.00 0.00 H new ATOM 826 N GLU A 24 8.297 9.632 -15.882 1.00 0.00 N ATOM 827 CA GLU A 24 7.835 8.230 -16.088 1.00 0.00 C ATOM 828 C GLU A 24 8.875 7.444 -16.893 1.00 0.00 C ATOM 829 O GLU A 24 9.196 6.308 -16.550 1.00 0.00 O ATOM 830 CB GLU A 24 6.495 8.208 -16.837 1.00 0.00 C ATOM 831 CG GLU A 24 5.755 6.906 -16.523 1.00 0.00 C ATOM 832 CD GLU A 24 4.250 7.120 -16.692 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.646 7.676 -15.790 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.726 6.724 -17.721 1.00 0.00 O ATOM 0 H GLU A 24 7.807 10.338 -16.431 1.00 0.00 H new ATOM 0 HA GLU A 24 7.705 7.768 -15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.888 9.064 -16.542 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.665 8.292 -17.910 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.097 6.112 -17.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.975 6.587 -15.504 1.00 0.00 H new ATOM 835 N LEU A 25 9.411 8.006 -17.959 1.00 0.00 N ATOM 836 CA LEU A 25 10.421 7.235 -18.756 1.00 0.00 C ATOM 837 C LEU A 25 11.707 7.038 -17.938 1.00 0.00 C ATOM 838 O LEU A 25 12.353 5.998 -18.037 1.00 0.00 O ATOM 839 CB LEU A 25 10.750 7.965 -20.063 1.00 0.00 C ATOM 840 CG LEU A 25 11.039 6.934 -21.157 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.736 6.243 -21.569 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.644 7.642 -22.371 1.00 0.00 C ATOM 0 H LEU A 25 9.198 8.942 -18.303 1.00 0.00 H new ATOM 0 HA LEU A 25 9.994 6.261 -18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.916 8.601 -20.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.613 8.616 -19.923 1.00 0.00 H new ATOM 0 HG LEU A 25 11.739 6.189 -20.779 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.944 5.509 -22.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.301 5.741 -20.705 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.034 6.986 -21.948 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.851 6.911 -23.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.941 8.385 -22.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.572 8.135 -22.080 1.00 0.00 H new ATOM 843 N LYS A 26 12.096 8.000 -17.129 1.00 0.00 N ATOM 844 CA LYS A 26 13.344 7.825 -16.317 1.00 0.00 C ATOM 845 C LYS A 26 13.105 6.835 -15.159 1.00 0.00 C ATOM 846 O LYS A 26 14.052 6.245 -14.646 1.00 0.00 O ATOM 847 CB LYS A 26 13.800 9.175 -15.744 1.00 0.00 C ATOM 848 CG LYS A 26 15.221 9.045 -15.190 1.00 0.00 C ATOM 849 CD LYS A 26 15.165 8.806 -13.679 1.00 0.00 C ATOM 850 CE LYS A 26 16.354 9.494 -13.006 1.00 0.00 C ATOM 851 NZ LYS A 26 17.480 8.526 -12.878 1.00 0.00 N ATOM 0 H LYS A 26 11.610 8.887 -16.998 1.00 0.00 H new ATOM 0 HA LYS A 26 14.120 7.428 -16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.770 9.940 -16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.119 9.495 -14.955 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.739 8.220 -15.680 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.790 9.950 -15.404 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.230 9.194 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.184 7.737 -13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.668 10.358 -13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.065 9.864 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.289 8.993 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.177 7.715 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.761 8.194 -13.822 1.00 0.00 H new ATOM 852 N LYS A 27 11.874 6.628 -14.729 1.00 0.00 N ATOM 853 CA LYS A 27 11.635 5.661 -13.611 1.00 0.00 C ATOM 854 C LYS A 27 11.645 4.219 -14.153 1.00 0.00 C ATOM 855 O LYS A 27 12.041 3.291 -13.448 1.00 0.00 O ATOM 856 CB LYS A 27 10.280 5.944 -12.948 1.00 0.00 C ATOM 857 CG LYS A 27 10.441 7.057 -11.912 1.00 0.00 C ATOM 858 CD LYS A 27 10.969 6.466 -10.603 1.00 0.00 C ATOM 859 CE LYS A 27 10.780 7.479 -9.472 1.00 0.00 C ATOM 860 NZ LYS A 27 9.358 7.468 -9.027 1.00 0.00 N ATOM 0 H LYS A 27 11.040 7.082 -15.101 1.00 0.00 H new ATOM 0 HA LYS A 27 12.429 5.778 -12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.549 6.237 -13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.901 5.040 -12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.129 7.817 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.484 7.550 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.440 5.542 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.024 6.212 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.435 7.234 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.058 8.476 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.275 7.968 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.768 7.943 -9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.038 6.485 -8.912 1.00 0.00 H new ATOM 861 N SER A 28 11.217 3.997 -15.382 1.00 0.00 N ATOM 862 CA SER A 28 11.214 2.601 -15.926 1.00 0.00 C ATOM 863 C SER A 28 12.638 2.185 -16.329 1.00 0.00 C ATOM 864 O SER A 28 13.032 1.036 -16.133 1.00 0.00 O ATOM 865 CB SER A 28 10.298 2.513 -17.153 1.00 0.00 C ATOM 866 OG SER A 28 8.961 2.800 -16.764 1.00 0.00 O ATOM 0 H SER A 28 10.875 4.715 -16.020 1.00 0.00 H new ATOM 0 HA SER A 28 10.846 1.930 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.626 3.218 -17.917 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.355 1.517 -17.593 1.00 0.00 H new ATOM 0 HG SER A 28 8.342 2.447 -17.436 1.00 0.00 H new ATOM 867 N LEU A 29 13.424 3.083 -16.891 1.00 0.00 N ATOM 868 CA LEU A 29 14.813 2.695 -17.300 1.00 0.00 C ATOM 869 C LEU A 29 15.691 2.530 -16.052 1.00 0.00 C ATOM 870 O LEU A 29 16.349 1.509 -15.873 1.00 0.00 O ATOM 871 CB LEU A 29 15.422 3.770 -18.211 1.00 0.00 C ATOM 872 CG LEU A 29 14.540 3.947 -19.449 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.757 5.343 -20.035 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.913 2.893 -20.494 1.00 0.00 C ATOM 0 H LEU A 29 13.166 4.052 -17.080 1.00 0.00 H new ATOM 0 HA LEU A 29 14.766 1.752 -17.845 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.505 4.714 -17.672 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.431 3.482 -18.508 1.00 0.00 H new ATOM 0 HG LEU A 29 13.493 3.829 -19.169 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.129 5.469 -20.917 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.493 6.095 -19.291 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.804 5.461 -20.315 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.286 3.018 -21.377 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.960 3.012 -20.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.760 1.897 -20.078 1.00 0.00 H new ATOM 875 N HIS A 30 15.717 3.513 -15.186 1.00 0.00 N ATOM 876 CA HIS A 30 16.561 3.400 -13.949 1.00 0.00 C ATOM 877 C HIS A 30 16.237 2.102 -13.183 1.00 0.00 C ATOM 878 O HIS A 30 17.095 1.562 -12.489 1.00 0.00 O ATOM 879 CB HIS A 30 16.312 4.601 -13.026 1.00 0.00 C ATOM 880 CG HIS A 30 17.542 4.867 -12.203 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.848 5.104 -12.555 1.00 0.00 N flip ATOM 882 CD2 HIS A 30 17.509 4.910 -10.818 1.00 0.00 C flip ATOM 883 CE1 HIS A 30 19.615 5.294 -11.409 1.00 0.00 C flip ATOM 884 NE2 HIS A 30 18.760 5.166 -10.391 1.00 0.00 N flip ATOM 0 H HIS A 30 15.195 4.385 -15.278 1.00 0.00 H new ATOM 0 HA HIS A 30 17.607 3.382 -14.256 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.060 5.481 -13.618 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.462 4.401 -12.374 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.639 4.765 -10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.674 5.500 -11.355 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.023 5.252 -9.409 1.00 0.00 H new ATOM 885 N ALA A 31 15.027 1.589 -13.277 1.00 0.00 N ATOM 886 CA ALA A 31 14.696 0.333 -12.528 1.00 0.00 C ATOM 887 C ALA A 31 15.242 -0.891 -13.282 1.00 0.00 C ATOM 888 O ALA A 31 16.148 -1.566 -12.803 1.00 0.00 O ATOM 889 CB ALA A 31 13.175 0.193 -12.373 1.00 0.00 C ATOM 0 H ALA A 31 14.266 1.981 -13.832 1.00 0.00 H new ATOM 0 HA ALA A 31 15.156 0.388 -11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.948 -0.723 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.785 1.049 -11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.711 0.153 -13.358 1.00 0.00 H new ATOM 890 N ILE A 32 14.693 -1.214 -14.434 1.00 0.00 N ATOM 891 CA ILE A 32 15.161 -2.409 -15.192 1.00 0.00 C ATOM 892 C ILE A 32 16.704 -2.504 -15.246 1.00 0.00 C ATOM 893 O ILE A 32 17.283 -3.494 -14.803 1.00 0.00 O ATOM 894 CB ILE A 32 14.598 -2.404 -16.627 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.489 -0.982 -17.238 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.219 -3.066 -16.634 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.223 -0.936 -18.583 1.00 0.00 C ATOM 0 H ILE A 32 13.937 -0.694 -14.878 1.00 0.00 H new ATOM 0 HA ILE A 32 14.788 -3.281 -14.656 1.00 0.00 H new ATOM 0 HB ILE A 32 15.302 -2.962 -17.245 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.441 -0.715 -17.376 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.917 -0.249 -16.554 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.819 -3.063 -17.648 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.307 -4.094 -16.281 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.547 -2.513 -15.978 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.143 0.065 -19.007 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.274 -1.183 -18.433 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.775 -1.657 -19.267 1.00 0.00 H new ATOM 898 N PHE A 33 17.378 -1.524 -15.797 1.00 0.00 N ATOM 899 CA PHE A 33 18.877 -1.600 -15.894 1.00 0.00 C ATOM 900 C PHE A 33 19.524 -1.643 -14.499 1.00 0.00 C ATOM 901 O PHE A 33 20.490 -2.374 -14.285 1.00 0.00 O ATOM 902 CB PHE A 33 19.423 -0.383 -16.655 1.00 0.00 C ATOM 903 CG PHE A 33 18.762 -0.285 -18.011 1.00 0.00 C ATOM 904 CD1 PHE A 33 18.696 -1.408 -18.846 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.215 0.932 -18.434 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.086 -1.313 -20.102 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.604 1.028 -19.689 1.00 0.00 C ATOM 908 CZ PHE A 33 17.539 -0.094 -20.524 1.00 0.00 C ATOM 0 H PHE A 33 16.961 -0.677 -16.183 1.00 0.00 H new ATOM 0 HA PHE A 33 19.125 -2.517 -16.429 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.238 0.527 -16.084 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.503 -0.471 -16.773 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.116 -2.348 -18.520 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.265 1.798 -17.791 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.037 -2.179 -20.746 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.182 1.968 -20.014 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.068 -0.020 -21.493 1.00 0.00 H new ATOM 909 N SER A 34 19.041 -0.871 -13.549 1.00 0.00 N ATOM 910 CA SER A 34 19.681 -0.886 -12.186 1.00 0.00 C ATOM 911 C SER A 34 19.789 -2.327 -11.653 1.00 0.00 C ATOM 912 O SER A 34 20.737 -2.659 -10.943 1.00 0.00 O ATOM 913 CB SER A 34 18.865 -0.044 -11.196 1.00 0.00 C ATOM 914 OG SER A 34 17.499 -0.427 -11.259 1.00 0.00 O ATOM 0 H SER A 34 18.246 -0.241 -13.653 1.00 0.00 H new ATOM 0 HA SER A 34 20.680 -0.461 -12.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.246 -0.183 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.968 1.015 -11.433 1.00 0.00 H new ATOM 0 HG SER A 34 17.382 -1.107 -11.955 1.00 0.00 H new ATOM 915 N ARG A 35 18.846 -3.194 -11.965 1.00 0.00 N ATOM 916 CA ARG A 35 18.930 -4.604 -11.451 1.00 0.00 C ATOM 917 C ARG A 35 20.287 -5.219 -11.836 1.00 0.00 C ATOM 918 O ARG A 35 20.982 -5.783 -10.994 1.00 0.00 O ATOM 919 CB ARG A 35 17.804 -5.459 -12.049 1.00 0.00 C ATOM 920 CG ARG A 35 16.473 -5.085 -11.391 1.00 0.00 C ATOM 921 CD ARG A 35 15.342 -5.232 -12.410 1.00 0.00 C ATOM 922 NE ARG A 35 14.057 -5.471 -11.694 1.00 0.00 N ATOM 923 CZ ARG A 35 13.868 -6.588 -11.047 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.752 -7.711 -11.702 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.793 -6.583 -9.744 1.00 0.00 N ATOM 0 H ARG A 35 18.033 -2.989 -12.546 1.00 0.00 H new ATOM 0 HA ARG A 35 18.828 -4.583 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.746 -5.301 -13.126 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.014 -6.517 -11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.287 -5.727 -10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.513 -4.060 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.269 -4.332 -13.020 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.553 -6.060 -13.087 1.00 0.00 H new ATOM 0 HE ARG A 35 13.325 -4.761 -11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.809 -7.716 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.604 -8.584 -11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.882 -5.706 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.645 -7.456 -9.238 1.00 0.00 H new ATOM 926 N PHE A 36 20.679 -5.127 -13.090 1.00 0.00 N ATOM 927 CA PHE A 36 21.996 -5.719 -13.503 1.00 0.00 C ATOM 928 C PHE A 36 23.122 -5.141 -12.631 1.00 0.00 C ATOM 929 O PHE A 36 23.824 -5.880 -11.941 1.00 0.00 O ATOM 930 CB PHE A 36 22.286 -5.399 -14.975 1.00 0.00 C ATOM 931 CG PHE A 36 21.308 -6.141 -15.854 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.542 -7.481 -16.185 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.168 -5.490 -16.338 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.634 -8.170 -16.998 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.261 -6.179 -17.152 1.00 0.00 C ATOM 936 CZ PHE A 36 19.494 -7.520 -17.482 1.00 0.00 C ATOM 0 H PHE A 36 20.151 -4.674 -13.836 1.00 0.00 H new ATOM 0 HA PHE A 36 21.947 -6.800 -13.374 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.205 -4.326 -15.148 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.307 -5.686 -15.226 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.423 -7.983 -15.813 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.988 -4.456 -16.084 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.814 -9.204 -17.252 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.381 -5.676 -17.526 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.794 -8.052 -18.110 1.00 0.00 H new ATOM 937 N GLY A 37 23.316 -3.840 -12.643 1.00 0.00 N ATOM 938 CA GLY A 37 24.405 -3.243 -11.810 1.00 0.00 C ATOM 939 C GLY A 37 24.034 -1.804 -11.416 1.00 0.00 C ATOM 940 O GLY A 37 22.860 -1.482 -11.244 1.00 0.00 O ATOM 0 H GLY A 37 22.771 -3.174 -13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.562 -3.845 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.343 -3.247 -12.365 1.00 0.00 H new ATOM 941 N GLN A 38 25.007 -0.930 -11.267 1.00 0.00 N ATOM 942 CA GLN A 38 24.689 0.478 -10.885 1.00 0.00 C ATOM 943 C GLN A 38 24.692 1.363 -12.140 1.00 0.00 C ATOM 944 O GLN A 38 25.493 1.162 -13.051 1.00 0.00 O ATOM 945 CB GLN A 38 25.739 0.994 -9.898 1.00 0.00 C ATOM 946 CG GLN A 38 25.147 2.143 -9.081 1.00 0.00 C ATOM 947 CD GLN A 38 25.967 2.338 -7.799 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.137 1.402 -7.022 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.492 3.510 -7.531 1.00 0.00 N ATOM 0 H GLN A 38 25.998 -1.134 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 38 23.705 0.510 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.058 0.189 -9.236 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.624 1.334 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.150 3.060 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.108 1.928 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.353 4.290 -8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.039 3.641 -6.680 1.00 0.00 H new ATOM 950 N ILE A 39 23.817 2.342 -12.209 1.00 0.00 N ATOM 951 CA ILE A 39 23.786 3.229 -13.408 1.00 0.00 C ATOM 952 C ILE A 39 24.375 4.597 -13.039 1.00 0.00 C ATOM 953 O ILE A 39 24.065 5.149 -11.983 1.00 0.00 O ATOM 954 CB ILE A 39 22.338 3.407 -13.876 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.677 2.036 -14.043 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.322 4.140 -15.218 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.165 2.213 -14.192 1.00 0.00 C ATOM 0 H ILE A 39 23.129 2.560 -11.489 1.00 0.00 H new ATOM 0 HA ILE A 39 24.373 2.781 -14.210 1.00 0.00 H new ATOM 0 HB ILE A 39 21.790 3.987 -13.134 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.083 1.529 -14.919 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.897 1.407 -13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.292 4.267 -15.551 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.789 5.118 -15.104 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.873 3.558 -15.957 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.694 1.237 -14.311 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.767 2.702 -13.303 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.955 2.826 -15.068 1.00 0.00 H new ATOM 958 N LEU A 40 25.218 5.164 -13.878 1.00 0.00 N ATOM 959 CA LEU A 40 25.808 6.498 -13.542 1.00 0.00 C ATOM 960 C LEU A 40 24.761 7.592 -13.782 1.00 0.00 C ATOM 961 O LEU A 40 24.623 8.516 -12.982 1.00 0.00 O ATOM 962 CB LEU A 40 27.041 6.776 -14.414 1.00 0.00 C ATOM 963 CG LEU A 40 28.106 5.709 -14.157 1.00 0.00 C ATOM 964 CD1 LEU A 40 29.286 5.931 -15.106 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.593 5.808 -12.707 1.00 0.00 C ATOM 0 H LEU A 40 25.517 4.764 -14.768 1.00 0.00 H new ATOM 0 HA LEU A 40 26.110 6.494 -12.495 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.761 6.777 -15.467 1.00 0.00 H new ATOM 0 HB3 LEU A 40 27.441 7.765 -14.190 1.00 0.00 H new ATOM 0 HG LEU A 40 27.679 4.721 -14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.047 5.172 -14.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.941 5.860 -16.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.712 6.919 -14.932 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.352 5.047 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.021 6.796 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.753 5.652 -12.030 1.00 0.00 H new ATOM 966 N ASP A 41 24.020 7.513 -14.864 1.00 0.00 N ATOM 967 CA ASP A 41 22.988 8.564 -15.132 1.00 0.00 C ATOM 968 C ASP A 41 22.186 8.221 -16.401 1.00 0.00 C ATOM 969 O ASP A 41 22.686 7.546 -17.302 1.00 0.00 O ATOM 970 CB ASP A 41 23.680 9.915 -15.325 1.00 0.00 C ATOM 971 CG ASP A 41 22.676 11.042 -15.081 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.271 11.212 -13.942 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.329 11.717 -16.036 1.00 0.00 O ATOM 0 H ASP A 41 24.085 6.775 -15.565 1.00 0.00 H new ATOM 0 HA ASP A 41 22.305 8.610 -14.284 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.520 10.007 -14.637 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.085 9.987 -16.334 1.00 0.00 H new ATOM 974 N ILE A 42 20.955 8.676 -16.494 1.00 0.00 N ATOM 975 CA ILE A 42 20.140 8.380 -17.706 1.00 0.00 C ATOM 976 C ILE A 42 19.679 9.703 -18.332 1.00 0.00 C ATOM 977 O ILE A 42 19.159 10.577 -17.641 1.00 0.00 O ATOM 978 CB ILE A 42 18.918 7.549 -17.310 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.378 6.282 -16.586 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.135 7.161 -18.565 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.207 5.687 -15.803 1.00 0.00 C ATOM 0 H ILE A 42 20.487 9.237 -15.782 1.00 0.00 H new ATOM 0 HA ILE A 42 20.738 7.820 -18.425 1.00 0.00 H new ATOM 0 HB ILE A 42 18.279 8.135 -16.650 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.754 5.555 -17.306 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.200 6.515 -15.910 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.265 6.569 -18.282 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.808 8.063 -19.083 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.774 6.575 -19.225 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.535 4.784 -15.287 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.851 6.413 -15.072 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.398 5.438 -16.490 1.00 0.00 H new ATOM 982 N LEU A 43 19.864 9.880 -19.623 1.00 0.00 N ATOM 983 CA LEU A 43 19.438 11.157 -20.263 1.00 0.00 C ATOM 984 C LEU A 43 18.258 10.899 -21.211 1.00 0.00 C ATOM 985 O LEU A 43 18.427 10.325 -22.284 1.00 0.00 O ATOM 986 CB LEU A 43 20.609 11.741 -21.056 1.00 0.00 C ATOM 987 CG LEU A 43 21.827 11.883 -20.141 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.729 10.656 -20.293 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.610 13.140 -20.528 1.00 0.00 C ATOM 0 H LEU A 43 20.289 9.198 -20.251 1.00 0.00 H new ATOM 0 HA LEU A 43 19.129 11.861 -19.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.849 11.094 -21.900 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.335 12.713 -21.467 1.00 0.00 H new ATOM 0 HG LEU A 43 21.495 11.963 -19.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.596 10.759 -19.641 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.173 9.759 -20.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.061 10.575 -21.328 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.478 13.243 -19.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.941 13.058 -21.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.970 14.015 -20.420 1.00 0.00 H new ATOM 990 N VAL A 44 17.065 11.324 -20.848 1.00 0.00 N ATOM 991 CA VAL A 44 15.894 11.106 -21.750 1.00 0.00 C ATOM 992 C VAL A 44 15.603 12.406 -22.512 1.00 0.00 C ATOM 993 O VAL A 44 15.753 13.500 -21.970 1.00 0.00 O ATOM 994 CB VAL A 44 14.662 10.691 -20.929 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.965 9.397 -20.173 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.297 11.790 -19.924 1.00 0.00 C ATOM 0 H VAL A 44 16.858 11.807 -19.974 1.00 0.00 H new ATOM 0 HA VAL A 44 16.122 10.309 -22.457 1.00 0.00 H new ATOM 0 HB VAL A 44 13.823 10.536 -21.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.092 9.103 -19.591 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.209 8.608 -20.885 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.810 9.556 -19.504 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.423 11.482 -19.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.135 11.957 -19.247 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.073 12.713 -20.459 1.00 0.00 H new ATOM 997 N SER A 45 15.196 12.321 -23.762 1.00 0.00 N ATOM 998 CA SER A 45 14.914 13.565 -24.532 1.00 0.00 C ATOM 999 C SER A 45 13.487 13.514 -25.100 1.00 0.00 C ATOM 1000 O SER A 45 12.983 12.445 -25.442 1.00 0.00 O ATOM 1001 CB SER A 45 15.913 13.690 -25.682 1.00 0.00 C ATOM 1002 OG SER A 45 17.052 14.415 -25.237 1.00 0.00 O ATOM 0 H SER A 45 15.050 11.449 -24.271 1.00 0.00 H new ATOM 0 HA SER A 45 15.008 14.426 -23.870 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.210 12.701 -26.030 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.450 14.200 -26.527 1.00 0.00 H new ATOM 0 HG SER A 45 17.696 14.496 -25.971 1.00 0.00 H new ATOM 1003 N ARG A 46 12.823 14.645 -25.213 1.00 0.00 N ATOM 1004 CA ARG A 46 11.437 14.642 -25.764 1.00 0.00 C ATOM 1005 C ARG A 46 11.359 15.569 -26.990 1.00 0.00 C ATOM 1006 O ARG A 46 10.349 16.238 -27.206 1.00 0.00 O ATOM 1007 CB ARG A 46 10.461 15.132 -24.693 1.00 0.00 C ATOM 1008 CG ARG A 46 9.040 14.704 -25.065 1.00 0.00 C ATOM 1009 CD ARG A 46 8.240 14.424 -23.790 1.00 0.00 C ATOM 1010 NE ARG A 46 6.804 14.762 -24.017 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.106 15.312 -23.063 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.464 16.469 -22.574 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.047 14.708 -22.597 1.00 0.00 N ATOM 0 H ARG A 46 13.184 15.562 -24.948 1.00 0.00 H new ATOM 0 HA ARG A 46 11.173 13.628 -26.063 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.734 14.720 -23.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.515 16.217 -24.606 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.554 15.487 -25.647 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.070 13.812 -25.691 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.338 13.375 -23.510 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.637 15.013 -22.963 1.00 0.00 H new ATOM 0 HE ARG A 46 6.369 14.563 -24.918 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.290 16.943 -22.938 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.917 16.898 -21.828 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.765 13.805 -22.979 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.501 15.139 -21.851 1.00 0.00 H new ATOM 1014 N SER A 47 12.393 15.624 -27.804 1.00 0.00 N ATOM 1015 CA SER A 47 12.347 16.507 -29.007 1.00 0.00 C ATOM 1016 C SER A 47 11.853 15.689 -30.211 1.00 0.00 C ATOM 1017 O SER A 47 11.634 14.484 -30.100 1.00 0.00 O ATOM 1018 CB SER A 47 13.746 17.063 -29.294 1.00 0.00 C ATOM 1019 OG SER A 47 14.651 15.983 -29.485 1.00 0.00 O ATOM 0 H SER A 47 13.258 15.097 -27.684 1.00 0.00 H new ATOM 0 HA SER A 47 11.666 17.339 -28.827 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.724 17.695 -30.182 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.078 17.689 -28.466 1.00 0.00 H new ATOM 0 HG SER A 47 15.546 16.335 -29.670 1.00 0.00 H new ATOM 1020 N LEU A 48 11.667 16.308 -31.359 1.00 0.00 N ATOM 1021 CA LEU A 48 11.178 15.531 -32.548 1.00 0.00 C ATOM 1022 C LEU A 48 12.249 14.518 -32.976 1.00 0.00 C ATOM 1023 O LEU A 48 11.988 13.318 -33.043 1.00 0.00 O ATOM 1024 CB LEU A 48 10.881 16.476 -33.720 1.00 0.00 C ATOM 1025 CG LEU A 48 9.850 15.839 -34.657 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.877 16.916 -35.150 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.566 15.210 -35.856 1.00 0.00 C ATOM 0 H LEU A 48 11.830 17.302 -31.522 1.00 0.00 H new ATOM 0 HA LEU A 48 10.262 15.009 -32.271 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.505 17.428 -33.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.799 16.690 -34.267 1.00 0.00 H new ATOM 0 HG LEU A 48 9.299 15.067 -34.120 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.142 16.465 -35.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.366 17.363 -34.297 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.429 17.687 -35.687 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.831 14.757 -36.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.118 15.980 -36.395 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.259 14.445 -35.506 1.00 0.00 H new ATOM 1028 N LYS A 49 13.450 14.969 -33.272 1.00 0.00 N ATOM 1029 CA LYS A 49 14.518 14.005 -33.698 1.00 0.00 C ATOM 1030 C LYS A 49 14.754 12.980 -32.580 1.00 0.00 C ATOM 1031 O LYS A 49 14.923 11.790 -32.845 1.00 0.00 O ATOM 1032 CB LYS A 49 15.828 14.751 -33.984 1.00 0.00 C ATOM 1033 CG LYS A 49 15.794 15.317 -35.407 1.00 0.00 C ATOM 1034 CD LYS A 49 17.199 15.272 -36.010 1.00 0.00 C ATOM 1035 CE LYS A 49 17.099 15.231 -37.536 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.385 14.739 -38.105 1.00 0.00 N ATOM 0 H LYS A 49 13.733 15.948 -33.238 1.00 0.00 H new ATOM 0 HA LYS A 49 14.193 13.498 -34.606 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.964 15.558 -33.264 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.676 14.075 -33.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.104 14.740 -36.023 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.426 16.343 -35.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.769 16.146 -35.696 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.734 14.395 -35.646 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.281 14.578 -37.840 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.874 16.225 -37.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.317 14.711 -39.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.156 15.379 -37.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.581 13.783 -37.745 1.00 0.00 H new ATOM 1037 N MET A 50 14.768 13.406 -31.336 1.00 0.00 N ATOM 1038 CA MET A 50 14.994 12.441 -30.221 1.00 0.00 C ATOM 1039 C MET A 50 13.647 12.094 -29.566 1.00 0.00 C ATOM 1040 O MET A 50 13.439 12.338 -28.378 1.00 0.00 O ATOM 1041 CB MET A 50 15.929 13.074 -29.182 1.00 0.00 C ATOM 1042 CG MET A 50 16.910 12.022 -28.656 1.00 0.00 C ATOM 1043 SD MET A 50 18.565 12.746 -28.539 1.00 0.00 S ATOM 1044 CE MET A 50 19.225 12.049 -30.073 1.00 0.00 C ATOM 0 H MET A 50 14.633 14.376 -31.051 1.00 0.00 H new ATOM 0 HA MET A 50 15.451 11.531 -30.609 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.477 13.903 -29.630 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.346 13.485 -28.358 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.587 11.665 -27.678 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.925 11.159 -29.321 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.257 12.373 -30.205 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.190 10.961 -30.023 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.626 12.393 -30.916 1.00 0.00 H new ATOM 1045 N ARG A 51 12.722 11.531 -30.314 1.00 0.00 N ATOM 1046 CA ARG A 51 11.398 11.179 -29.723 1.00 0.00 C ATOM 1047 C ARG A 51 11.349 9.670 -29.435 1.00 0.00 C ATOM 1048 O ARG A 51 11.789 8.860 -30.248 1.00 0.00 O ATOM 1049 CB ARG A 51 10.286 11.547 -30.709 1.00 0.00 C ATOM 1050 CG ARG A 51 9.097 12.144 -29.950 1.00 0.00 C ATOM 1051 CD ARG A 51 8.204 12.920 -30.920 1.00 0.00 C ATOM 1052 NE ARG A 51 7.705 14.157 -30.254 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.954 14.067 -29.191 1.00 0.00 C ATOM 1054 NH1 ARG A 51 5.862 13.354 -29.221 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.296 14.692 -28.097 1.00 0.00 N ATOM 0 H ARG A 51 12.831 11.303 -31.302 1.00 0.00 H new ATOM 0 HA ARG A 51 11.257 11.730 -28.793 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.659 12.263 -31.441 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.970 10.662 -31.261 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.525 11.351 -29.469 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.452 12.805 -29.160 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.764 13.179 -31.819 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.365 12.299 -31.234 1.00 0.00 H new ATOM 0 HE ARG A 51 7.951 15.073 -30.629 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.595 12.866 -30.076 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.275 13.284 -28.389 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.150 15.250 -28.074 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.710 14.622 -27.265 1.00 0.00 H new ATOM 1056 N GLY A 52 10.822 9.271 -28.296 1.00 0.00 N ATOM 1057 CA GLY A 52 10.752 7.815 -27.977 1.00 0.00 C ATOM 1058 C GLY A 52 12.169 7.224 -27.931 1.00 0.00 C ATOM 1059 O GLY A 52 12.397 6.104 -28.391 1.00 0.00 O ATOM 0 H GLY A 52 10.441 9.891 -27.581 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.255 7.667 -27.018 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.156 7.297 -28.728 1.00 0.00 H new ATOM 1060 N GLN A 53 13.129 7.942 -27.385 1.00 0.00 N ATOM 1061 CA GLN A 53 14.518 7.403 -27.318 1.00 0.00 C ATOM 1062 C GLN A 53 15.080 7.622 -25.906 1.00 0.00 C ATOM 1063 O GLN A 53 14.604 8.485 -25.169 1.00 0.00 O ATOM 1064 CB GLN A 53 15.397 8.132 -28.336 1.00 0.00 C ATOM 1065 CG GLN A 53 15.007 7.700 -29.751 1.00 0.00 C ATOM 1066 CD GLN A 53 15.379 8.807 -30.745 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.581 9.329 -30.725 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 14.555 9.210 -31.563 1.00 0.00 N flip ATOM 0 H GLN A 53 13.005 8.873 -26.987 1.00 0.00 H new ATOM 0 HA GLN A 53 14.508 6.337 -27.545 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.279 9.210 -28.228 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.448 7.907 -28.152 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.518 6.774 -30.014 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.937 7.498 -29.799 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.618 8.808 -31.584 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.808 9.947 -32.221 1.00 0.00 H new ATOM 1069 N ALA A 54 16.079 6.862 -25.504 1.00 0.00 N ATOM 1070 CA ALA A 54 16.644 7.052 -24.131 1.00 0.00 C ATOM 1071 C ALA A 54 18.097 6.551 -24.073 1.00 0.00 C ATOM 1072 O ALA A 54 18.436 5.526 -24.657 1.00 0.00 O ATOM 1073 CB ALA A 54 15.799 6.270 -23.125 1.00 0.00 C ATOM 0 H ALA A 54 16.519 6.130 -26.061 1.00 0.00 H new ATOM 0 HA ALA A 54 16.628 8.114 -23.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.207 6.406 -22.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.772 6.635 -23.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.814 5.211 -23.382 1.00 0.00 H new ATOM 1074 N PHE A 55 18.962 7.248 -23.366 1.00 0.00 N ATOM 1075 CA PHE A 55 20.383 6.800 -23.266 1.00 0.00 C ATOM 1076 C PHE A 55 20.658 6.330 -21.829 1.00 0.00 C ATOM 1077 O PHE A 55 20.172 6.929 -20.871 1.00 0.00 O ATOM 1078 CB PHE A 55 21.314 7.970 -23.594 1.00 0.00 C ATOM 1079 CG PHE A 55 21.077 8.431 -25.012 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.031 9.318 -25.293 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.908 7.977 -26.043 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.816 9.750 -26.607 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.692 8.409 -27.357 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.646 9.297 -27.639 1.00 0.00 C ATOM 0 H PHE A 55 18.741 8.104 -22.858 1.00 0.00 H new ATOM 0 HA PHE A 55 20.560 5.985 -23.968 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.138 8.792 -22.900 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.353 7.665 -23.470 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.391 9.669 -24.497 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.715 7.294 -25.825 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.009 10.434 -26.825 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.332 8.058 -28.153 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.480 9.632 -28.652 1.00 0.00 H new ATOM 1085 N VAL A 56 21.427 5.277 -21.649 1.00 0.00 N ATOM 1086 CA VAL A 56 21.717 4.800 -20.263 1.00 0.00 C ATOM 1087 C VAL A 56 23.215 4.496 -20.138 1.00 0.00 C ATOM 1088 O VAL A 56 23.765 3.727 -20.924 1.00 0.00 O ATOM 1089 CB VAL A 56 20.918 3.527 -19.971 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.045 3.175 -18.489 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.442 3.751 -20.314 1.00 0.00 C ATOM 0 H VAL A 56 21.860 4.735 -22.397 1.00 0.00 H new ATOM 0 HA VAL A 56 21.433 5.573 -19.549 1.00 0.00 H new ATOM 0 HB VAL A 56 21.310 2.710 -20.577 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.476 2.269 -18.280 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.094 3.010 -18.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.655 3.995 -17.886 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.878 2.842 -20.104 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.049 4.570 -19.711 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.348 4.001 -21.371 1.00 0.00 H new ATOM 1092 N ILE A 57 23.891 5.071 -19.165 1.00 0.00 N ATOM 1093 CA ILE A 57 25.344 4.796 -19.007 1.00 0.00 C ATOM 1094 C ILE A 57 25.547 3.973 -17.733 1.00 0.00 C ATOM 1095 O ILE A 57 24.700 3.989 -16.839 1.00 0.00 O ATOM 1096 CB ILE A 57 26.109 6.116 -18.892 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.773 7.006 -20.090 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.613 5.836 -18.874 1.00 0.00 C ATOM 1099 CD1 ILE A 57 24.484 7.782 -19.808 1.00 0.00 C ATOM 0 H ILE A 57 23.494 5.715 -18.481 1.00 0.00 H new ATOM 0 HA ILE A 57 25.715 4.246 -19.872 1.00 0.00 H new ATOM 0 HB ILE A 57 25.822 6.621 -17.970 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.592 7.699 -20.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 25.654 6.397 -20.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.157 6.777 -18.792 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.855 5.201 -18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.900 5.330 -19.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.246 8.415 -20.663 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.667 7.081 -19.638 1.00 0.00 H new ATOM 0 HD13 ILE A 57 24.620 8.403 -18.923 1.00 0.00 H new ATOM 1100 N PHE A 58 26.637 3.249 -17.620 1.00 0.00 N ATOM 1101 CA PHE A 58 26.846 2.439 -16.395 1.00 0.00 C ATOM 1102 C PHE A 58 28.227 2.742 -15.802 1.00 0.00 C ATOM 1103 O PHE A 58 29.129 3.199 -16.501 1.00 0.00 O ATOM 1104 CB PHE A 58 26.734 0.956 -16.739 1.00 0.00 C ATOM 1105 CG PHE A 58 25.321 0.662 -17.181 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.928 0.938 -18.496 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.399 0.120 -16.276 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.617 0.671 -18.907 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.088 -0.147 -16.687 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.696 0.129 -18.002 1.00 0.00 C ATOM 0 H PHE A 58 27.378 3.189 -18.319 1.00 0.00 H new ATOM 0 HA PHE A 58 26.084 2.692 -15.658 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.438 0.698 -17.530 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.992 0.347 -15.872 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.637 1.357 -19.194 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.700 -0.092 -15.261 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.316 0.883 -19.922 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.378 -0.566 -15.989 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.684 -0.076 -18.318 1.00 0.00 H new ATOM 1111 N LYS A 59 28.400 2.518 -14.518 1.00 0.00 N ATOM 1112 CA LYS A 59 29.720 2.812 -13.857 1.00 0.00 C ATOM 1113 C LYS A 59 30.900 2.310 -14.708 1.00 0.00 C ATOM 1114 O LYS A 59 31.962 2.931 -14.724 1.00 0.00 O ATOM 1115 CB LYS A 59 29.780 2.133 -12.482 1.00 0.00 C ATOM 1116 CG LYS A 59 30.756 2.891 -11.581 1.00 0.00 C ATOM 1117 CD LYS A 59 30.357 2.697 -10.117 1.00 0.00 C ATOM 1118 CE LYS A 59 30.919 3.845 -9.277 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.390 3.667 -9.115 1.00 0.00 N ATOM 0 H LYS A 59 27.683 2.143 -13.896 1.00 0.00 H new ATOM 0 HA LYS A 59 29.800 3.894 -13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.789 2.116 -12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.099 1.096 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.772 2.530 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.751 3.952 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.271 2.664 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.737 1.744 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 59 30.708 4.800 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.435 3.867 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 32.773 4.447 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.580 2.763 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 32.845 3.667 -10.050 1.00 0.00 H new ATOM 1120 N GLU A 60 30.756 1.202 -15.408 1.00 0.00 N ATOM 1121 CA GLU A 60 31.904 0.698 -16.228 1.00 0.00 C ATOM 1122 C GLU A 60 31.385 -0.094 -17.438 1.00 0.00 C ATOM 1123 O GLU A 60 30.184 -0.154 -17.690 1.00 0.00 O ATOM 1124 CB GLU A 60 32.812 -0.231 -15.391 1.00 0.00 C ATOM 1125 CG GLU A 60 32.764 0.132 -13.900 1.00 0.00 C ATOM 1126 CD GLU A 60 33.832 -0.661 -13.145 1.00 0.00 C ATOM 1127 OE1 GLU A 60 35.002 -0.463 -13.432 1.00 0.00 O ATOM 1128 OE2 GLU A 60 33.464 -1.454 -12.294 1.00 0.00 O ATOM 0 H GLU A 60 29.908 0.637 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 60 32.477 1.563 -16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.498 -1.266 -15.525 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.838 -0.160 -15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.931 1.201 -13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.777 -0.089 -13.493 1.00 0.00 H new ATOM 1129 N VAL A 61 32.273 -0.706 -18.194 1.00 0.00 N ATOM 1130 CA VAL A 61 31.834 -1.495 -19.386 1.00 0.00 C ATOM 1131 C VAL A 61 31.454 -2.913 -18.942 1.00 0.00 C ATOM 1132 O VAL A 61 32.278 -3.824 -18.970 1.00 0.00 O ATOM 1133 CB VAL A 61 32.965 -1.580 -20.427 1.00 0.00 C ATOM 1134 CG1 VAL A 61 32.371 -1.981 -21.780 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.676 -0.220 -20.560 1.00 0.00 C ATOM 0 H VAL A 61 33.280 -0.690 -18.034 1.00 0.00 H new ATOM 0 HA VAL A 61 30.976 -0.998 -19.837 1.00 0.00 H new ATOM 0 HB VAL A 61 33.693 -2.324 -20.104 1.00 0.00 H new ATOM 0 HG11 VAL A 61 33.167 -2.043 -22.523 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.882 -2.951 -21.690 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.641 -1.235 -22.092 1.00 0.00 H new ATOM 0 HG21 VAL A 61 34.473 -0.297 -21.300 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.958 0.536 -20.877 1.00 0.00 H new ATOM 0 HG23 VAL A 61 34.101 0.064 -19.597 1.00 0.00 H new ATOM 1136 N SER A 62 30.221 -3.124 -18.533 1.00 0.00 N ATOM 1137 CA SER A 62 29.808 -4.495 -18.094 1.00 0.00 C ATOM 1138 C SER A 62 28.327 -4.496 -17.684 1.00 0.00 C ATOM 1139 O SER A 62 27.558 -5.342 -18.130 1.00 0.00 O ATOM 1140 CB SER A 62 30.667 -4.938 -16.910 1.00 0.00 C ATOM 1141 OG SER A 62 31.235 -3.795 -16.287 1.00 0.00 O ATOM 0 H SER A 62 29.492 -2.413 -18.485 1.00 0.00 H new ATOM 0 HA SER A 62 29.948 -5.188 -18.924 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.061 -5.493 -16.194 1.00 0.00 H new ATOM 0 HB3 SER A 62 31.455 -5.610 -17.249 1.00 0.00 H new ATOM 0 HG SER A 62 31.785 -4.076 -15.526 1.00 0.00 H new ATOM 1142 N SER A 63 27.904 -3.567 -16.851 1.00 0.00 N ATOM 1143 CA SER A 63 26.459 -3.543 -16.445 1.00 0.00 C ATOM 1144 C SER A 63 25.585 -3.282 -17.687 1.00 0.00 C ATOM 1145 O SER A 63 24.508 -3.863 -17.831 1.00 0.00 O ATOM 1146 CB SER A 63 26.212 -2.439 -15.410 1.00 0.00 C ATOM 1147 OG SER A 63 24.941 -2.638 -14.804 1.00 0.00 O ATOM 0 H SER A 63 28.487 -2.837 -16.442 1.00 0.00 H new ATOM 0 HA SER A 63 26.201 -4.505 -16.003 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.995 -2.454 -14.652 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.250 -1.461 -15.889 1.00 0.00 H new ATOM 0 HG SER A 63 24.326 -1.933 -15.096 1.00 0.00 H new ATOM 1148 N ALA A 64 26.028 -2.442 -18.604 1.00 0.00 N ATOM 1149 CA ALA A 64 25.213 -2.187 -19.832 1.00 0.00 C ATOM 1150 C ALA A 64 25.271 -3.434 -20.718 1.00 0.00 C ATOM 1151 O ALA A 64 24.286 -3.801 -21.355 1.00 0.00 O ATOM 1152 CB ALA A 64 25.765 -0.980 -20.610 1.00 0.00 C ATOM 0 H ALA A 64 26.909 -1.931 -18.551 1.00 0.00 H new ATOM 0 HA ALA A 64 24.185 -1.968 -19.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.158 -0.812 -21.499 1.00 0.00 H new ATOM 0 HB2 ALA A 64 25.734 -0.094 -19.976 1.00 0.00 H new ATOM 0 HB3 ALA A 64 26.795 -1.178 -20.906 1.00 0.00 H new ATOM 1153 N THR A 65 26.406 -4.097 -20.777 1.00 0.00 N ATOM 1154 CA THR A 65 26.509 -5.318 -21.628 1.00 0.00 C ATOM 1155 C THR A 65 25.419 -6.331 -21.227 1.00 0.00 C ATOM 1156 O THR A 65 24.839 -7.001 -22.080 1.00 0.00 O ATOM 1157 CB THR A 65 27.891 -5.966 -21.465 1.00 0.00 C ATOM 1158 OG1 THR A 65 28.896 -4.971 -21.595 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.088 -7.036 -22.535 1.00 0.00 C ATOM 0 H THR A 65 27.257 -3.843 -20.274 1.00 0.00 H new ATOM 0 HA THR A 65 26.371 -5.028 -22.670 1.00 0.00 H new ATOM 0 HB THR A 65 27.961 -6.428 -20.480 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.797 -4.516 -22.457 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.070 -7.493 -22.416 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.317 -7.800 -22.432 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.018 -6.580 -23.523 1.00 0.00 H new ATOM 1160 N ASN A 66 25.122 -6.456 -19.949 1.00 0.00 N ATOM 1161 CA ASN A 66 24.065 -7.425 -19.521 1.00 0.00 C ATOM 1162 C ASN A 66 22.681 -6.869 -19.886 1.00 0.00 C ATOM 1163 O ASN A 66 21.787 -7.622 -20.262 1.00 0.00 O ATOM 1164 CB ASN A 66 24.136 -7.659 -18.007 1.00 0.00 C ATOM 1165 CG ASN A 66 25.522 -8.199 -17.637 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.882 -9.307 -18.027 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.330 -7.476 -16.901 1.00 0.00 N ATOM 0 H ASN A 66 25.564 -5.932 -19.194 1.00 0.00 H new ATOM 0 HA ASN A 66 24.229 -8.373 -20.034 1.00 0.00 H new ATOM 0 HB2 ASN A 66 23.943 -6.727 -17.475 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.365 -8.366 -17.701 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.253 -7.834 -16.655 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.036 -6.555 -16.575 1.00 0.00 H new ATOM 1168 N ALA A 67 22.475 -5.570 -19.793 1.00 0.00 N ATOM 1169 CA ALA A 67 21.132 -5.007 -20.157 1.00 0.00 C ATOM 1170 C ALA A 67 20.936 -4.981 -21.692 1.00 0.00 C ATOM 1171 O ALA A 67 19.841 -4.685 -22.165 1.00 0.00 O ATOM 1172 CB ALA A 67 20.996 -3.577 -19.617 1.00 0.00 C ATOM 0 H ALA A 67 23.168 -4.887 -19.486 1.00 0.00 H new ATOM 0 HA ALA A 67 20.372 -5.649 -19.712 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.018 -3.178 -19.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.097 -3.587 -18.532 1.00 0.00 H new ATOM 0 HB3 ALA A 67 21.776 -2.949 -20.049 1.00 0.00 H new ATOM 1173 N LEU A 68 21.953 -5.265 -22.488 1.00 0.00 N ATOM 1174 CA LEU A 68 21.767 -5.227 -23.971 1.00 0.00 C ATOM 1175 C LEU A 68 21.548 -6.647 -24.528 1.00 0.00 C ATOM 1176 O LEU A 68 20.771 -6.838 -25.462 1.00 0.00 O ATOM 1177 CB LEU A 68 23.013 -4.618 -24.619 1.00 0.00 C ATOM 1178 CG LEU A 68 22.622 -3.889 -25.911 1.00 0.00 C ATOM 1179 CD1 LEU A 68 23.363 -2.551 -25.990 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.996 -4.752 -27.121 1.00 0.00 C ATOM 0 H LEU A 68 22.889 -5.518 -22.172 1.00 0.00 H new ATOM 0 HA LEU A 68 20.890 -4.622 -24.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.491 -3.923 -23.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.740 -5.400 -24.837 1.00 0.00 H new ATOM 0 HG LEU A 68 21.547 -3.709 -25.912 1.00 0.00 H new ATOM 0 HD11 LEU A 68 23.084 -2.034 -26.908 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.095 -1.935 -25.131 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.438 -2.730 -25.986 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.718 -4.233 -28.038 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.071 -4.935 -27.119 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.466 -5.703 -27.067 1.00 0.00 H new ATOM 1181 N ARG A 69 22.219 -7.647 -23.995 1.00 0.00 N ATOM 1182 CA ARG A 69 22.038 -9.036 -24.530 1.00 0.00 C ATOM 1183 C ARG A 69 20.799 -9.707 -23.910 1.00 0.00 C ATOM 1184 O ARG A 69 20.151 -10.532 -24.554 1.00 0.00 O ATOM 1185 CB ARG A 69 23.278 -9.883 -24.222 1.00 0.00 C ATOM 1186 CG ARG A 69 24.529 -9.176 -24.749 1.00 0.00 C ATOM 1187 CD ARG A 69 25.747 -9.612 -23.933 1.00 0.00 C ATOM 1188 NE ARG A 69 26.302 -10.871 -24.504 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.564 -11.883 -23.722 1.00 0.00 C ATOM 1190 NH1 ARG A 69 27.259 -11.703 -22.632 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.131 -13.075 -24.030 1.00 0.00 N ATOM 0 H ARG A 69 22.877 -7.561 -23.221 1.00 0.00 H new ATOM 0 HA ARG A 69 21.898 -8.966 -25.609 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.364 -10.042 -23.147 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.183 -10.866 -24.683 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.679 -9.417 -25.802 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.403 -8.095 -24.684 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.505 -8.829 -23.945 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.464 -9.766 -22.892 1.00 0.00 H new ATOM 0 HE ARG A 69 26.477 -10.942 -25.506 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.598 -10.771 -22.391 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.464 -12.494 -22.021 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.588 -13.216 -24.882 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.336 -13.866 -23.419 1.00 0.00 H new ATOM 1192 N SER A 70 20.455 -9.394 -22.679 1.00 0.00 N ATOM 1193 CA SER A 70 19.262 -10.045 -22.054 1.00 0.00 C ATOM 1194 C SER A 70 18.012 -9.147 -22.160 1.00 0.00 C ATOM 1195 O SER A 70 17.088 -9.279 -21.359 1.00 0.00 O ATOM 1196 CB SER A 70 19.553 -10.328 -20.580 1.00 0.00 C ATOM 1197 OG SER A 70 20.957 -10.299 -20.364 1.00 0.00 O ATOM 0 H SER A 70 20.945 -8.723 -22.088 1.00 0.00 H new ATOM 0 HA SER A 70 19.064 -10.975 -22.587 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.061 -9.585 -19.951 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.150 -11.301 -20.298 1.00 0.00 H new ATOM 0 HG SER A 70 21.253 -9.370 -20.264 1.00 0.00 H new ATOM 1198 N MET A 71 17.941 -8.249 -23.123 1.00 0.00 N ATOM 1199 CA MET A 71 16.729 -7.385 -23.242 1.00 0.00 C ATOM 1200 C MET A 71 16.463 -7.068 -24.723 1.00 0.00 C ATOM 1201 O MET A 71 16.103 -5.945 -25.072 1.00 0.00 O ATOM 1202 CB MET A 71 16.948 -6.082 -22.471 1.00 0.00 C ATOM 1203 CG MET A 71 16.379 -6.220 -21.058 1.00 0.00 C ATOM 1204 SD MET A 71 16.192 -4.578 -20.319 1.00 0.00 S ATOM 1205 CE MET A 71 14.437 -4.355 -20.701 1.00 0.00 C ATOM 0 H MET A 71 18.665 -8.083 -23.822 1.00 0.00 H new ATOM 0 HA MET A 71 15.870 -7.911 -22.825 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.012 -5.850 -22.424 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.464 -5.255 -22.990 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.415 -6.728 -21.091 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.041 -6.833 -20.446 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.188 -3.295 -20.662 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.230 -4.740 -21.700 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.834 -4.896 -19.972 1.00 0.00 H new ATOM 1206 N GLN A 72 16.627 -8.033 -25.606 1.00 0.00 N ATOM 1207 CA GLN A 72 16.375 -7.763 -27.055 1.00 0.00 C ATOM 1208 C GLN A 72 14.874 -7.907 -27.340 1.00 0.00 C ATOM 1209 O GLN A 72 14.356 -9.018 -27.441 1.00 0.00 O ATOM 1210 CB GLN A 72 17.157 -8.757 -27.922 1.00 0.00 C ATOM 1211 CG GLN A 72 16.994 -8.386 -29.397 1.00 0.00 C ATOM 1212 CD GLN A 72 17.921 -7.212 -29.736 1.00 0.00 C ATOM 1213 OE1 GLN A 72 17.456 -6.155 -30.159 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.216 -7.333 -29.573 1.00 0.00 N ATOM 0 H GLN A 72 16.921 -8.984 -25.384 1.00 0.00 H new ATOM 0 HA GLN A 72 16.703 -6.751 -27.294 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.212 -8.744 -27.647 1.00 0.00 H new ATOM 0 HB3 GLN A 72 16.795 -9.770 -27.749 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.231 -9.244 -30.027 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.958 -8.116 -29.603 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.606 -8.208 -29.222 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.833 -6.552 -29.797 1.00 0.00 H new ATOM 1215 N GLY A 73 14.159 -6.810 -27.464 1.00 0.00 N ATOM 1216 CA GLY A 73 12.694 -6.903 -27.733 1.00 0.00 C ATOM 1217 C GLY A 73 11.948 -7.063 -26.401 1.00 0.00 C ATOM 1218 O GLY A 73 11.208 -8.025 -26.207 1.00 0.00 O ATOM 0 H GLY A 73 14.528 -5.862 -27.390 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.349 -6.008 -28.252 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.485 -7.751 -28.386 1.00 0.00 H new ATOM 1219 N PHE A 74 12.129 -6.145 -25.475 1.00 0.00 N ATOM 1220 CA PHE A 74 11.429 -6.267 -24.163 1.00 0.00 C ATOM 1221 C PHE A 74 10.185 -5.359 -24.155 1.00 0.00 C ATOM 1222 O PHE A 74 10.069 -4.469 -24.996 1.00 0.00 O ATOM 1223 CB PHE A 74 12.379 -5.846 -23.036 1.00 0.00 C ATOM 1224 CG PHE A 74 12.871 -7.070 -22.296 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.419 -8.145 -23.006 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.779 -7.127 -20.900 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.875 -9.278 -22.319 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.235 -8.259 -20.214 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.783 -9.334 -20.924 1.00 0.00 C ATOM 0 H PHE A 74 12.727 -5.325 -25.575 1.00 0.00 H new ATOM 0 HA PHE A 74 11.121 -7.302 -24.011 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.224 -5.295 -23.448 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.866 -5.175 -22.347 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.490 -8.101 -24.083 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.356 -6.298 -20.352 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.297 -10.108 -22.866 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.164 -8.303 -19.137 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.135 -10.207 -20.395 1.00 0.00 H new ATOM 1230 N PRO A 75 9.280 -5.595 -23.217 1.00 0.00 N ATOM 1231 CA PRO A 75 8.045 -4.798 -23.103 1.00 0.00 C ATOM 1232 C PRO A 75 8.333 -3.452 -22.418 1.00 0.00 C ATOM 1233 O PRO A 75 8.866 -3.409 -21.310 1.00 0.00 O ATOM 1234 CB PRO A 75 7.131 -5.664 -22.232 1.00 0.00 C ATOM 1235 CG PRO A 75 8.055 -6.612 -21.433 1.00 0.00 C ATOM 1236 CD PRO A 75 9.394 -6.665 -22.192 1.00 0.00 C ATOM 0 HA PRO A 75 7.603 -4.560 -24.070 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.535 -5.046 -21.560 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.432 -6.231 -22.847 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.200 -6.246 -20.417 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.615 -7.606 -21.354 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.237 -6.487 -21.524 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.552 -7.641 -22.652 1.00 0.00 H new ATOM 1237 N PHE A 76 7.989 -2.350 -23.047 1.00 0.00 N ATOM 1238 CA PHE A 76 8.243 -1.021 -22.422 1.00 0.00 C ATOM 1239 C PHE A 76 7.135 -0.042 -22.848 1.00 0.00 C ATOM 1240 O PHE A 76 7.089 0.392 -23.997 1.00 0.00 O ATOM 1241 CB PHE A 76 9.606 -0.495 -22.886 1.00 0.00 C ATOM 1242 CG PHE A 76 10.382 0.030 -21.699 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.832 -0.855 -20.712 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.653 1.398 -21.589 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.552 -0.369 -19.613 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.373 1.883 -20.492 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.822 0.999 -19.504 1.00 0.00 C ATOM 0 H PHE A 76 7.544 -2.319 -23.964 1.00 0.00 H new ATOM 0 HA PHE A 76 8.244 -1.116 -21.336 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.166 -1.292 -23.375 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.469 0.297 -23.622 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.624 -1.911 -20.798 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.306 2.080 -22.351 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.898 -1.050 -18.850 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.582 2.939 -20.407 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.377 1.374 -18.657 1.00 0.00 H new ATOM 1248 N TYR A 77 6.236 0.307 -21.953 1.00 0.00 N ATOM 1249 CA TYR A 77 5.137 1.249 -22.322 1.00 0.00 C ATOM 1250 C TYR A 77 4.316 0.659 -23.480 1.00 0.00 C ATOM 1251 O TYR A 77 3.971 1.360 -24.430 1.00 0.00 O ATOM 1252 CB TYR A 77 5.732 2.595 -22.738 1.00 0.00 C ATOM 1253 CG TYR A 77 6.369 3.244 -21.533 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.698 2.955 -21.204 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.625 4.124 -20.740 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.283 3.547 -20.081 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.212 4.719 -19.618 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.541 4.430 -19.289 1.00 0.00 C ATOM 1259 OH TYR A 77 8.118 5.012 -18.181 1.00 0.00 O ATOM 0 H TYR A 77 6.220 -0.021 -20.987 1.00 0.00 H new ATOM 0 HA TYR A 77 4.484 1.397 -21.462 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.473 2.452 -23.524 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.954 3.240 -23.146 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.271 2.275 -21.817 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.598 4.344 -20.994 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.308 3.323 -19.825 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.640 5.401 -19.006 1.00 0.00 H new ATOM 0 HH TYR A 77 8.505 4.316 -17.610 1.00 0.00 H new ATOM 1260 N ASP A 78 3.985 -0.614 -23.419 1.00 0.00 N ATOM 1261 CA ASP A 78 3.178 -1.232 -24.512 1.00 0.00 C ATOM 1262 C ASP A 78 3.900 -1.067 -25.861 1.00 0.00 C ATOM 1263 O ASP A 78 3.409 -0.382 -26.757 1.00 0.00 O ATOM 1264 CB ASP A 78 1.809 -0.552 -24.578 1.00 0.00 C ATOM 1265 CG ASP A 78 1.125 -0.648 -23.212 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.626 -0.048 -22.277 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.111 -1.321 -23.126 1.00 0.00 O ATOM 0 H ASP A 78 4.241 -1.245 -22.660 1.00 0.00 H new ATOM 0 HA ASP A 78 3.051 -2.295 -24.306 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.924 0.493 -24.867 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.191 -1.027 -25.340 1.00 0.00 H new ATOM 1268 N LYS A 79 5.050 -1.686 -26.035 1.00 0.00 N ATOM 1269 CA LYS A 79 5.772 -1.556 -27.341 1.00 0.00 C ATOM 1270 C LYS A 79 7.088 -2.366 -27.309 1.00 0.00 C ATOM 1271 O LYS A 79 7.755 -2.401 -26.278 1.00 0.00 O ATOM 1272 CB LYS A 79 6.099 -0.082 -27.601 1.00 0.00 C ATOM 1273 CG LYS A 79 5.999 0.208 -29.099 1.00 0.00 C ATOM 1274 CD LYS A 79 5.556 1.658 -29.311 1.00 0.00 C ATOM 1275 CE LYS A 79 5.493 1.959 -30.810 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.966 3.337 -31.017 1.00 0.00 N ATOM 0 H LYS A 79 5.512 -2.268 -25.336 1.00 0.00 H new ATOM 0 HA LYS A 79 5.132 -1.942 -28.135 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.409 0.557 -27.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.102 0.147 -27.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.963 0.038 -29.578 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.287 -0.473 -29.565 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.579 1.821 -28.855 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.254 2.338 -28.822 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.485 1.867 -31.252 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.852 1.234 -31.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.923 3.543 -32.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.012 3.409 -30.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.595 4.023 -30.552 1.00 0.00 H new ATOM 1277 N PRO A 80 7.449 -2.996 -28.417 1.00 0.00 N ATOM 1278 CA PRO A 80 8.689 -3.789 -28.486 1.00 0.00 C ATOM 1279 C PRO A 80 9.896 -2.855 -28.663 1.00 0.00 C ATOM 1280 O PRO A 80 9.929 -2.044 -29.588 1.00 0.00 O ATOM 1281 CB PRO A 80 8.494 -4.667 -29.726 1.00 0.00 C ATOM 1282 CG PRO A 80 7.448 -3.949 -30.609 1.00 0.00 C ATOM 1283 CD PRO A 80 6.679 -2.984 -29.688 1.00 0.00 C ATOM 0 HA PRO A 80 8.877 -4.376 -27.587 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.434 -4.795 -30.263 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.149 -5.662 -29.447 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.933 -3.406 -31.420 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.770 -4.668 -31.068 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.630 -1.982 -30.114 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.652 -3.315 -29.534 1.00 0.00 H new ATOM 1284 N MET A 81 10.887 -2.939 -27.800 1.00 0.00 N ATOM 1285 CA MET A 81 12.068 -2.036 -27.946 1.00 0.00 C ATOM 1286 C MET A 81 13.364 -2.861 -27.978 1.00 0.00 C ATOM 1287 O MET A 81 13.551 -3.778 -27.179 1.00 0.00 O ATOM 1288 CB MET A 81 12.112 -1.052 -26.772 1.00 0.00 C ATOM 1289 CG MET A 81 12.015 -1.812 -25.447 1.00 0.00 C ATOM 1290 SD MET A 81 13.078 -1.018 -24.217 1.00 0.00 S ATOM 1291 CE MET A 81 13.601 -2.525 -23.362 1.00 0.00 C ATOM 0 H MET A 81 10.925 -3.586 -27.013 1.00 0.00 H new ATOM 0 HA MET A 81 11.978 -1.482 -28.881 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.037 -0.477 -26.804 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.291 -0.340 -26.853 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.983 -1.824 -25.097 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.316 -2.850 -25.588 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.454 -2.302 -22.721 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.779 -2.902 -22.754 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.886 -3.279 -24.096 1.00 0.00 H new ATOM 1292 N ARG A 82 14.269 -2.552 -28.884 1.00 0.00 N ATOM 1293 CA ARG A 82 15.548 -3.315 -28.957 1.00 0.00 C ATOM 1294 C ARG A 82 16.672 -2.468 -28.348 1.00 0.00 C ATOM 1295 O ARG A 82 16.622 -1.240 -28.382 1.00 0.00 O ATOM 1296 CB ARG A 82 15.875 -3.626 -30.419 1.00 0.00 C ATOM 1297 CG ARG A 82 14.884 -4.663 -30.953 1.00 0.00 C ATOM 1298 CD ARG A 82 15.247 -5.019 -32.395 1.00 0.00 C ATOM 1299 NE ARG A 82 14.688 -6.359 -32.730 1.00 0.00 N ATOM 1300 CZ ARG A 82 13.820 -6.481 -33.698 1.00 0.00 C ATOM 1301 NH1 ARG A 82 12.729 -5.766 -33.689 1.00 0.00 N ATOM 1302 NH2 ARG A 82 14.045 -7.317 -34.674 1.00 0.00 N ATOM 0 H ARG A 82 14.171 -1.805 -29.571 1.00 0.00 H new ATOM 0 HA ARG A 82 15.451 -4.249 -28.404 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.823 -2.716 -31.016 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.894 -4.004 -30.503 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.906 -5.557 -30.330 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.869 -4.268 -30.909 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.851 -4.267 -33.077 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.330 -5.023 -32.519 1.00 0.00 H new ATOM 0 HE ARG A 82 14.983 -7.181 -32.203 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.554 -5.112 -32.926 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.051 -5.861 -34.445 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.899 -7.875 -34.681 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.367 -7.412 -35.430 1.00 0.00 H new ATOM 1303 N ILE A 83 17.683 -3.091 -27.782 1.00 0.00 N ATOM 1304 CA ILE A 83 18.788 -2.297 -27.169 1.00 0.00 C ATOM 1305 C ILE A 83 20.079 -2.459 -27.989 1.00 0.00 C ATOM 1306 O ILE A 83 20.418 -3.554 -28.432 1.00 0.00 O ATOM 1307 CB ILE A 83 19.028 -2.780 -25.739 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.715 -2.707 -24.956 1.00 0.00 C ATOM 1309 CG2 ILE A 83 20.071 -1.885 -25.066 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.911 -3.326 -23.572 1.00 0.00 C ATOM 0 H ILE A 83 17.786 -4.104 -27.721 1.00 0.00 H new ATOM 0 HA ILE A 83 18.505 -1.244 -27.160 1.00 0.00 H new ATOM 0 HB ILE A 83 19.389 -3.808 -25.756 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.394 -1.670 -24.860 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.928 -3.236 -25.494 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.242 -2.229 -24.046 1.00 0.00 H new ATOM 0 HG22 ILE A 83 21.005 -1.930 -25.626 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.710 -0.857 -25.046 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.976 -3.274 -23.014 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.212 -4.368 -23.679 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.685 -2.778 -23.035 1.00 0.00 H new ATOM 1311 N GLN A 84 20.811 -1.385 -28.192 1.00 0.00 N ATOM 1312 CA GLN A 84 22.082 -1.471 -28.974 1.00 0.00 C ATOM 1313 C GLN A 84 23.060 -0.409 -28.450 1.00 0.00 C ATOM 1314 O GLN A 84 22.662 0.725 -28.193 1.00 0.00 O ATOM 1315 CB GLN A 84 21.788 -1.210 -30.453 1.00 0.00 C ATOM 1316 CG GLN A 84 21.063 0.132 -30.599 1.00 0.00 C ATOM 1317 CD GLN A 84 20.749 0.397 -32.078 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.202 -0.340 -32.954 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.993 1.414 -32.414 1.00 0.00 N ATOM 0 H GLN A 84 20.579 -0.453 -27.848 1.00 0.00 H new ATOM 0 HA GLN A 84 22.520 -2.463 -28.864 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.717 -1.198 -31.023 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.174 -2.014 -30.860 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.141 0.122 -30.018 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.682 0.935 -30.200 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.615 2.028 -31.693 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.783 1.591 -33.396 1.00 0.00 H new ATOM 1320 N TYR A 85 24.325 -0.740 -28.270 1.00 0.00 N ATOM 1321 CA TYR A 85 25.296 0.283 -27.741 1.00 0.00 C ATOM 1322 C TYR A 85 25.163 1.599 -28.529 1.00 0.00 C ATOM 1323 O TYR A 85 24.532 1.640 -29.586 1.00 0.00 O ATOM 1324 CB TYR A 85 26.741 -0.230 -27.857 1.00 0.00 C ATOM 1325 CG TYR A 85 26.990 -1.355 -26.868 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.519 -1.270 -25.545 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.706 -2.488 -27.278 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.764 -2.315 -24.645 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.949 -3.530 -26.375 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.480 -3.444 -25.061 1.00 0.00 C ATOM 1331 OH TYR A 85 27.725 -4.472 -24.176 1.00 0.00 O ATOM 0 H TYR A 85 24.722 -1.660 -28.463 1.00 0.00 H new ATOM 0 HA TYR A 85 25.062 0.460 -26.691 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.927 -0.583 -28.871 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.439 0.587 -27.670 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.968 -0.399 -25.223 1.00 0.00 H new ATOM 0 HD2 TYR A 85 28.071 -2.557 -28.292 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.401 -2.250 -23.630 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.500 -4.402 -26.694 1.00 0.00 H new ATOM 0 HH TYR A 85 28.612 -4.850 -24.351 1.00 0.00 H new ATOM 1332 N ALA A 86 25.731 2.678 -28.037 1.00 0.00 N ATOM 1333 CA ALA A 86 25.615 3.978 -28.762 1.00 0.00 C ATOM 1334 C ALA A 86 26.761 4.103 -29.779 1.00 0.00 C ATOM 1335 O ALA A 86 27.634 3.241 -29.850 1.00 0.00 O ATOM 1336 CB ALA A 86 25.682 5.141 -27.766 1.00 0.00 C ATOM 0 H ALA A 86 26.266 2.711 -27.169 1.00 0.00 H new ATOM 0 HA ALA A 86 24.659 4.012 -29.285 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.597 6.086 -28.303 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.864 5.055 -27.051 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.633 5.111 -27.235 1.00 0.00 H new ATOM 1337 N LYS A 87 26.780 5.157 -30.567 1.00 0.00 N ATOM 1338 CA LYS A 87 27.881 5.312 -31.569 1.00 0.00 C ATOM 1339 C LYS A 87 29.132 5.860 -30.868 1.00 0.00 C ATOM 1340 O LYS A 87 30.228 5.328 -31.032 1.00 0.00 O ATOM 1341 CB LYS A 87 27.455 6.281 -32.679 1.00 0.00 C ATOM 1342 CG LYS A 87 26.195 5.751 -33.366 1.00 0.00 C ATOM 1343 CD LYS A 87 26.019 6.447 -34.718 1.00 0.00 C ATOM 1344 CE LYS A 87 24.641 6.111 -35.290 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.689 6.185 -36.777 1.00 0.00 N ATOM 0 H LYS A 87 26.088 5.906 -30.558 1.00 0.00 H new ATOM 0 HA LYS A 87 28.099 4.340 -32.011 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.265 7.269 -32.260 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.259 6.393 -33.407 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.271 4.673 -33.507 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.323 5.929 -32.737 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.122 7.526 -34.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.799 6.126 -35.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.338 5.113 -34.975 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.896 6.807 -34.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.752 5.957 -37.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.960 7.146 -37.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.388 5.504 -37.136 1.00 0.00 H new ATOM 1346 N THR A 88 28.996 6.912 -30.088 1.00 0.00 N ATOM 1347 CA THR A 88 30.183 7.474 -29.388 1.00 0.00 C ATOM 1348 C THR A 88 30.102 7.130 -27.894 1.00 0.00 C ATOM 1349 O THR A 88 29.152 6.488 -27.448 1.00 0.00 O ATOM 1350 CB THR A 88 30.203 8.995 -29.565 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.894 9.510 -29.367 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.682 9.340 -30.976 1.00 0.00 C ATOM 0 H THR A 88 28.116 7.397 -29.912 1.00 0.00 H new ATOM 0 HA THR A 88 31.094 7.048 -29.809 1.00 0.00 H new ATOM 0 HB THR A 88 30.882 9.437 -28.836 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.905 10.484 -29.478 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.696 10.423 -31.101 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.687 8.945 -31.126 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.005 8.899 -31.708 1.00 0.00 H new ATOM 1353 N ASP A 89 31.074 7.541 -27.106 1.00 0.00 N ATOM 1354 CA ASP A 89 31.025 7.225 -25.645 1.00 0.00 C ATOM 1355 C ASP A 89 30.273 8.343 -24.911 1.00 0.00 C ATOM 1356 O ASP A 89 29.829 9.310 -25.527 1.00 0.00 O ATOM 1357 CB ASP A 89 32.449 7.114 -25.087 1.00 0.00 C ATOM 1358 CG ASP A 89 33.168 5.939 -25.754 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.062 4.838 -25.242 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.813 6.163 -26.766 1.00 0.00 O ATOM 0 H ASP A 89 31.888 8.075 -27.411 1.00 0.00 H new ATOM 0 HA ASP A 89 30.509 6.276 -25.498 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.996 8.039 -25.269 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.418 6.969 -24.007 1.00 0.00 H new ATOM 1361 N SER A 90 30.117 8.239 -23.608 1.00 0.00 N ATOM 1362 CA SER A 90 29.389 9.312 -22.861 1.00 0.00 C ATOM 1363 C SER A 90 30.375 10.424 -22.479 1.00 0.00 C ATOM 1364 O SER A 90 31.579 10.192 -22.385 1.00 0.00 O ATOM 1365 CB SER A 90 28.759 8.731 -21.591 1.00 0.00 C ATOM 1366 OG SER A 90 28.478 9.787 -20.682 1.00 0.00 O ATOM 0 H SER A 90 30.459 7.465 -23.038 1.00 0.00 H new ATOM 0 HA SER A 90 28.602 9.719 -23.495 1.00 0.00 H new ATOM 0 HB2 SER A 90 27.843 8.195 -21.838 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.436 8.011 -21.132 1.00 0.00 H new ATOM 0 HG SER A 90 27.807 9.490 -20.033 1.00 0.00 H new ATOM 1367 N ASP A 91 29.897 11.630 -22.254 1.00 0.00 N ATOM 1368 CA ASP A 91 30.829 12.736 -21.880 1.00 0.00 C ATOM 1369 C ASP A 91 31.263 12.590 -20.417 1.00 0.00 C ATOM 1370 O ASP A 91 32.371 12.989 -20.061 1.00 0.00 O ATOM 1371 CB ASP A 91 30.160 14.100 -22.086 1.00 0.00 C ATOM 1372 CG ASP A 91 31.231 15.190 -22.147 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.845 15.447 -21.125 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.419 15.750 -23.214 1.00 0.00 O ATOM 0 H ASP A 91 28.912 11.889 -22.313 1.00 0.00 H new ATOM 0 HA ASP A 91 31.707 12.675 -22.523 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.578 14.096 -23.007 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.465 14.303 -21.271 1.00 0.00 H new ATOM 1375 N ILE A 92 30.442 12.024 -19.555 1.00 0.00 N ATOM 1376 CA ILE A 92 30.887 11.864 -18.142 1.00 0.00 C ATOM 1377 C ILE A 92 32.159 10.984 -18.106 1.00 0.00 C ATOM 1378 O ILE A 92 32.962 11.107 -17.187 1.00 0.00 O ATOM 1379 CB ILE A 92 29.773 11.245 -17.286 1.00 0.00 C ATOM 1380 CG1 ILE A 92 29.344 9.891 -17.868 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.570 12.193 -17.259 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.910 8.759 -17.006 1.00 0.00 C ATOM 0 H ILE A 92 29.507 11.676 -19.768 1.00 0.00 H new ATOM 0 HA ILE A 92 31.116 12.845 -17.725 1.00 0.00 H new ATOM 0 HB ILE A 92 30.147 11.091 -16.274 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.256 9.827 -17.902 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.702 9.795 -18.893 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.777 11.757 -16.652 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.870 13.150 -16.831 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.206 12.348 -18.275 1.00 0.00 H new ATOM 0 HD11 ILE A 92 29.604 7.798 -17.421 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.998 8.820 -16.995 1.00 0.00 H new ATOM 0 HD13 ILE A 92 29.531 8.852 -15.988 1.00 0.00 H new ATOM 1383 N ILE A 93 32.397 10.131 -19.102 1.00 0.00 N ATOM 1384 CA ILE A 93 33.659 9.317 -19.088 1.00 0.00 C ATOM 1385 C ILE A 93 34.830 10.261 -19.396 1.00 0.00 C ATOM 1386 O ILE A 93 35.909 10.144 -18.821 1.00 0.00 O ATOM 1387 CB ILE A 93 33.664 8.191 -20.152 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.259 7.653 -20.504 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.511 7.031 -19.630 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.396 7.471 -19.257 1.00 0.00 C ATOM 0 H ILE A 93 31.782 9.974 -19.900 1.00 0.00 H new ATOM 0 HA ILE A 93 33.740 8.847 -18.108 1.00 0.00 H new ATOM 0 HB ILE A 93 34.073 8.625 -21.065 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.767 8.342 -21.190 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.354 6.699 -21.023 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.525 6.229 -20.368 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.529 7.376 -19.450 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.084 6.659 -18.699 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.416 7.091 -19.545 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.876 6.762 -18.583 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.280 8.430 -18.752 1.00 0.00 H new