USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 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 -146:sc= -0.0718 (180deg=-0.977) USER MOD Set 1.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 85 TYR OH : rot 115:sc= -4.31! USER MOD Set 3.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0.0532 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 77 TYR OH : rot -119:sc= -2.7! USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= -3.51! USER MOD Set 5.2: A 53 GLN : amide:sc= -5.09! C(o=-8.6!,f=-8.3!) USER MOD Single : A 8 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.6) USER MOD Single : A 9 HIS : no HE2:sc= -5.55! C(o=-5.6!,f=-13!) USER MOD Single : A 10 THR OG1 : rot -24:sc= 0.214 USER MOD Single : A 14 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.9!) USER MOD Single : A 15 ASN : amide:sc= -1.43 K(o=-1.4,f=-6!) USER MOD Single : A 17 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0949) USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= -0.0081 (180deg=-0.133) USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= 0.7 (180deg=-0.472) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.056) USER MOD Single : A 34 SER OG : rot 1:sc= -0.722 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) 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= -0.0169 USER MOD Single : A 63 SER OG : rot 180:sc= 0.03 USER MOD Single : A 66 ASN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 70 SER OG : rot -150:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= 0.0185 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 87 LYS NZ :NH3+ -142:sc= -0.0141 (180deg=-0.235) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 90 SER OG : rot -108:sc= -0.41 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.672 -2.923 -27.189 1.00 0.00 N ATOM 683 CA PRO A 7 30.028 -2.027 -26.211 1.00 0.00 C ATOM 684 C PRO A 7 30.824 -0.717 -26.077 1.00 0.00 C ATOM 685 O PRO A 7 32.052 -0.731 -26.015 1.00 0.00 O ATOM 686 CB PRO A 7 30.072 -2.822 -24.904 1.00 0.00 C ATOM 687 CG PRO A 7 31.213 -3.854 -25.056 1.00 0.00 C ATOM 688 CD PRO A 7 31.462 -4.018 -26.566 1.00 0.00 C ATOM 0 HA PRO A 7 29.015 -1.743 -26.497 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.255 -2.163 -24.055 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.120 -3.320 -24.721 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.115 -3.511 -24.550 1.00 0.00 H new ATOM 0 HG3 PRO A 7 30.936 -4.806 -24.604 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.522 -3.931 -26.806 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.135 -4.996 -26.919 1.00 0.00 H new ATOM 689 N ASN A 8 30.154 0.414 -26.026 1.00 0.00 N ATOM 690 CA ASN A 8 30.886 1.706 -25.889 1.00 0.00 C ATOM 691 C ASN A 8 30.555 2.335 -24.526 1.00 0.00 C ATOM 692 O ASN A 8 30.350 3.543 -24.422 1.00 0.00 O ATOM 693 CB ASN A 8 30.453 2.657 -27.007 1.00 0.00 C ATOM 694 CG ASN A 8 31.364 2.462 -28.226 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.932 1.388 -28.411 1.00 0.00 O ATOM 696 ND2 ASN A 8 31.538 3.445 -29.076 1.00 0.00 N ATOM 0 H ASN A 8 29.138 0.492 -26.073 1.00 0.00 H new ATOM 0 HA ASN A 8 31.959 1.528 -25.959 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.415 2.465 -27.281 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.506 3.689 -26.662 1.00 0.00 H new ATOM 0 HD21 ASN A 8 32.143 3.317 -29.887 1.00 0.00 H new ATOM 0 HD22 ASN A 8 31.068 4.338 -28.926 1.00 0.00 H new ATOM 697 N HIS A 9 30.493 1.542 -23.476 1.00 0.00 N ATOM 698 CA HIS A 9 30.168 2.106 -22.132 1.00 0.00 C ATOM 699 C HIS A 9 28.825 2.866 -22.170 1.00 0.00 C ATOM 700 O HIS A 9 28.602 3.767 -21.363 1.00 0.00 O ATOM 701 CB HIS A 9 31.281 3.072 -21.713 1.00 0.00 C ATOM 702 CG HIS A 9 31.484 2.997 -20.224 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.746 2.958 -19.653 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.597 2.957 -19.178 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.585 2.896 -18.319 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.294 2.893 -17.975 1.00 0.00 N ATOM 0 H HIS A 9 30.653 0.535 -23.497 1.00 0.00 H new ATOM 0 HA HIS A 9 30.087 1.287 -21.417 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.207 2.820 -22.229 1.00 0.00 H new ATOM 0 HB3 HIS A 9 31.021 4.090 -22.003 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.635 2.973 -20.153 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.521 2.973 -19.274 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.400 2.854 -17.612 1.00 0.00 H new ATOM 707 N THR A 10 27.921 2.530 -23.075 1.00 0.00 N ATOM 708 CA THR A 10 26.608 3.256 -23.127 1.00 0.00 C ATOM 709 C THR A 10 25.643 2.518 -24.075 1.00 0.00 C ATOM 710 O THR A 10 26.045 2.061 -25.143 1.00 0.00 O ATOM 711 CB THR A 10 26.826 4.681 -23.655 1.00 0.00 C ATOM 712 OG1 THR A 10 27.776 5.360 -22.842 1.00 0.00 O ATOM 713 CG2 THR A 10 25.501 5.449 -23.631 1.00 0.00 C ATOM 0 H THR A 10 28.038 1.793 -23.770 1.00 0.00 H new ATOM 0 HA THR A 10 26.184 3.293 -22.123 1.00 0.00 H new ATOM 0 HB THR A 10 27.199 4.626 -24.678 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.792 4.955 -21.950 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.660 6.460 -24.006 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.773 4.938 -24.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 25.126 5.496 -22.609 1.00 0.00 H new ATOM 714 N ILE A 11 24.381 2.402 -23.722 1.00 0.00 N ATOM 715 CA ILE A 11 23.422 1.708 -24.629 1.00 0.00 C ATOM 716 C ILE A 11 22.438 2.741 -25.206 1.00 0.00 C ATOM 717 O ILE A 11 22.403 3.890 -24.764 1.00 0.00 O ATOM 718 CB ILE A 11 22.665 0.619 -23.862 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.888 1.241 -22.698 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.664 -0.404 -23.315 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.563 0.499 -22.512 1.00 0.00 C ATOM 0 H ILE A 11 23.982 2.756 -22.853 1.00 0.00 H new ATOM 0 HA ILE A 11 23.967 1.234 -25.445 1.00 0.00 H new ATOM 0 HB ILE A 11 21.965 0.128 -24.537 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.478 1.187 -21.783 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.701 2.297 -22.895 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.128 -1.180 -22.769 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.212 -0.855 -24.142 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.364 0.094 -22.644 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.011 0.942 -21.683 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.972 0.576 -23.424 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.761 -0.551 -22.295 1.00 0.00 H new ATOM 722 N TYR A 12 21.651 2.367 -26.191 1.00 0.00 N ATOM 723 CA TYR A 12 20.699 3.343 -26.796 1.00 0.00 C ATOM 724 C TYR A 12 19.324 2.677 -26.987 1.00 0.00 C ATOM 725 O TYR A 12 19.210 1.647 -27.647 1.00 0.00 O ATOM 726 CB TYR A 12 21.264 3.788 -28.153 1.00 0.00 C ATOM 727 CG TYR A 12 20.282 4.678 -28.881 1.00 0.00 C ATOM 728 CD1 TYR A 12 20.041 5.980 -28.427 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.621 4.199 -30.018 1.00 0.00 C ATOM 730 CE1 TYR A 12 19.138 6.803 -29.113 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.718 5.019 -30.702 1.00 0.00 C ATOM 732 CZ TYR A 12 18.475 6.321 -30.251 1.00 0.00 C ATOM 733 OH TYR A 12 17.586 7.131 -30.928 1.00 0.00 O ATOM 0 H TYR A 12 21.630 1.431 -26.597 1.00 0.00 H new ATOM 0 HA TYR A 12 20.576 4.207 -26.143 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.203 4.322 -28.003 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.489 2.913 -28.763 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.550 6.350 -27.549 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.809 3.195 -30.368 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.953 7.809 -28.765 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.208 4.647 -31.578 1.00 0.00 H new ATOM 0 HH TYR A 12 17.216 6.643 -31.693 1.00 0.00 H new ATOM 734 N ILE A 13 18.274 3.245 -26.430 1.00 0.00 N ATOM 735 CA ILE A 13 16.922 2.635 -26.598 1.00 0.00 C ATOM 736 C ILE A 13 16.198 3.323 -27.765 1.00 0.00 C ATOM 737 O ILE A 13 16.406 4.508 -28.020 1.00 0.00 O ATOM 738 CB ILE A 13 16.110 2.821 -25.312 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.885 2.234 -24.125 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.765 2.104 -25.450 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.744 3.156 -22.912 1.00 0.00 C ATOM 0 H ILE A 13 18.300 4.098 -25.872 1.00 0.00 H new ATOM 0 HA ILE A 13 17.026 1.570 -26.807 1.00 0.00 H new ATOM 0 HB ILE A 13 15.939 3.884 -25.142 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.505 1.241 -23.885 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.937 2.119 -24.386 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.187 2.236 -24.535 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.214 2.524 -26.292 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.935 1.041 -25.621 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.295 2.737 -22.070 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.145 4.140 -23.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.691 3.249 -22.646 1.00 0.00 H new ATOM 742 N ASN A 14 15.357 2.612 -28.486 1.00 0.00 N ATOM 743 CA ASN A 14 14.641 3.247 -29.631 1.00 0.00 C ATOM 744 C ASN A 14 13.258 2.598 -29.806 1.00 0.00 C ATOM 745 O ASN A 14 12.955 1.584 -29.181 1.00 0.00 O ATOM 746 CB ASN A 14 15.460 3.052 -30.910 1.00 0.00 C ATOM 747 CG ASN A 14 15.195 4.214 -31.875 1.00 0.00 C ATOM 748 OD1 ASN A 14 14.743 5.278 -31.457 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.450 4.073 -33.153 1.00 0.00 N ATOM 0 H ASN A 14 15.141 1.628 -28.328 1.00 0.00 H new ATOM 0 HA ASN A 14 14.515 4.311 -29.433 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.522 3.001 -30.669 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.195 2.106 -31.383 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.273 4.844 -33.796 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.825 3.192 -33.504 1.00 0.00 H new ATOM 750 N ASN A 15 12.410 3.160 -30.644 1.00 0.00 N ATOM 751 CA ASN A 15 11.056 2.565 -30.848 1.00 0.00 C ATOM 752 C ASN A 15 10.278 2.578 -29.523 1.00 0.00 C ATOM 753 O ASN A 15 9.795 1.543 -29.064 1.00 0.00 O ATOM 754 CB ASN A 15 11.197 1.124 -31.349 1.00 0.00 C ATOM 755 CG ASN A 15 9.826 0.601 -31.797 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.796 1.121 -31.376 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.752 -0.405 -32.635 1.00 0.00 N ATOM 0 H ASN A 15 12.602 4.000 -31.190 1.00 0.00 H new ATOM 0 HA ASN A 15 10.513 3.153 -31.588 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.902 1.084 -32.179 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.599 0.491 -30.558 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.841 -0.753 -32.935 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.605 -0.839 -32.987 1.00 0.00 H new ATOM 758 N LEU A 16 10.141 3.726 -28.894 1.00 0.00 N ATOM 759 CA LEU A 16 9.389 3.784 -27.606 1.00 0.00 C ATOM 760 C LEU A 16 8.030 4.462 -27.843 1.00 0.00 C ATOM 761 O LEU A 16 7.662 4.748 -28.982 1.00 0.00 O ATOM 762 CB LEU A 16 10.195 4.586 -26.580 1.00 0.00 C ATOM 763 CG LEU A 16 11.607 4.006 -26.471 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.513 5.001 -25.744 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.558 2.693 -25.686 1.00 0.00 C ATOM 0 H LEU A 16 10.517 4.617 -29.219 1.00 0.00 H new ATOM 0 HA LEU A 16 9.230 2.774 -27.227 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.243 5.633 -26.878 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.701 4.553 -25.609 1.00 0.00 H new ATOM 0 HG LEU A 16 12.002 3.819 -27.470 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.519 4.588 -25.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.547 5.937 -26.302 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.120 5.188 -24.745 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.563 2.278 -25.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.164 2.881 -24.687 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.912 1.984 -26.204 1.00 0.00 H new ATOM 766 N ASN A 17 7.270 4.728 -26.800 1.00 0.00 N ATOM 767 CA ASN A 17 5.942 5.388 -26.999 1.00 0.00 C ATOM 768 C ASN A 17 6.132 6.908 -27.079 1.00 0.00 C ATOM 769 O ASN A 17 7.058 7.460 -26.489 1.00 0.00 O ATOM 770 CB ASN A 17 5.006 5.051 -25.829 1.00 0.00 C ATOM 771 CG ASN A 17 4.027 3.946 -26.251 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.755 3.775 -27.438 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.477 3.179 -25.342 1.00 0.00 N ATOM 0 H ASN A 17 7.512 4.518 -25.832 1.00 0.00 H new ATOM 0 HA ASN A 17 5.500 5.024 -27.926 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.588 4.725 -24.967 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.455 5.941 -25.523 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.827 2.444 -25.620 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.699 3.317 -24.356 1.00 0.00 H new ATOM 774 N GLU A 18 5.278 7.600 -27.802 1.00 0.00 N ATOM 775 CA GLU A 18 5.424 9.079 -27.913 1.00 0.00 C ATOM 776 C GLU A 18 4.386 9.774 -27.018 1.00 0.00 C ATOM 777 O GLU A 18 3.803 10.786 -27.404 1.00 0.00 O ATOM 778 CB GLU A 18 5.207 9.503 -29.367 1.00 0.00 C ATOM 779 CG GLU A 18 6.492 9.271 -30.164 1.00 0.00 C ATOM 780 CD GLU A 18 6.138 8.867 -31.597 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.399 9.600 -32.233 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.614 7.831 -32.034 1.00 0.00 O ATOM 0 H GLU A 18 4.492 7.201 -28.315 1.00 0.00 H new ATOM 0 HA GLU A 18 6.425 9.367 -27.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.387 8.933 -29.805 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.924 10.555 -29.412 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.098 10.177 -30.169 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.089 8.491 -29.692 1.00 0.00 H new ATOM 783 N LYS A 19 4.144 9.263 -25.829 1.00 0.00 N ATOM 784 CA LYS A 19 3.145 9.915 -24.929 1.00 0.00 C ATOM 785 C LYS A 19 3.517 9.662 -23.456 1.00 0.00 C ATOM 786 O LYS A 19 2.644 9.477 -22.611 1.00 0.00 O ATOM 787 CB LYS A 19 1.755 9.342 -25.210 1.00 0.00 C ATOM 788 CG LYS A 19 1.440 9.475 -26.700 1.00 0.00 C ATOM 789 CD LYS A 19 -0.031 9.131 -26.946 1.00 0.00 C ATOM 790 CE LYS A 19 -0.407 9.491 -28.384 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.825 9.945 -28.428 1.00 0.00 N ATOM 0 H LYS A 19 4.593 8.430 -25.450 1.00 0.00 H new ATOM 0 HA LYS A 19 3.144 10.989 -25.117 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.715 8.295 -24.911 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.006 9.871 -24.621 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.648 10.491 -27.037 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.081 8.810 -27.278 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.201 8.069 -26.770 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.665 9.676 -26.246 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.249 10.277 -28.757 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.270 8.627 -29.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.081 10.190 -29.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.445 9.182 -28.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.941 10.781 -27.820 1.00 0.00 H new ATOM 792 N ILE A 20 4.791 9.640 -23.129 1.00 0.00 N ATOM 793 CA ILE A 20 5.199 9.390 -21.719 1.00 0.00 C ATOM 794 C ILE A 20 5.789 10.658 -21.117 1.00 0.00 C ATOM 795 O ILE A 20 6.271 11.532 -21.837 1.00 0.00 O ATOM 796 CB ILE A 20 6.269 8.304 -21.694 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.752 7.066 -22.434 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.611 7.938 -20.245 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.833 6.555 -23.380 1.00 0.00 C ATOM 0 H ILE A 20 5.561 9.785 -23.783 1.00 0.00 H new ATOM 0 HA ILE A 20 4.325 9.081 -21.145 1.00 0.00 H new ATOM 0 HB ILE A 20 7.169 8.673 -22.186 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.481 6.288 -21.720 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.850 7.313 -22.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.376 7.162 -20.237 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.984 8.820 -19.725 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.716 7.571 -19.742 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.468 5.674 -23.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.082 7.333 -24.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.723 6.292 -22.808 1.00 0.00 H new ATOM 800 N LYS A 21 5.780 10.775 -19.812 1.00 0.00 N ATOM 801 CA LYS A 21 6.365 11.985 -19.191 1.00 0.00 C ATOM 802 C LYS A 21 7.855 11.742 -18.924 1.00 0.00 C ATOM 803 O LYS A 21 8.379 10.673 -19.226 1.00 0.00 O ATOM 804 CB LYS A 21 5.642 12.311 -17.879 1.00 0.00 C ATOM 805 CG LYS A 21 4.434 13.205 -18.168 1.00 0.00 C ATOM 806 CD LYS A 21 3.502 13.210 -16.955 1.00 0.00 C ATOM 807 CE LYS A 21 4.078 14.123 -15.872 1.00 0.00 C ATOM 808 NZ LYS A 21 3.801 15.545 -16.223 1.00 0.00 N ATOM 0 H LYS A 21 5.395 10.089 -19.163 1.00 0.00 H new ATOM 0 HA LYS A 21 6.248 12.831 -19.868 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.318 11.391 -17.392 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.323 12.813 -17.192 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.764 14.220 -18.391 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.902 12.843 -19.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.510 13.555 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.386 12.198 -16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.635 13.883 -14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.152 13.963 -15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.990 16.149 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.415 15.834 -17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.805 15.645 -16.505 1.00 0.00 H new ATOM 809 N LYS A 22 8.556 12.706 -18.372 1.00 0.00 N ATOM 810 CA LYS A 22 10.014 12.504 -18.101 1.00 0.00 C ATOM 811 C LYS A 22 10.203 11.742 -16.787 1.00 0.00 C ATOM 812 O LYS A 22 11.106 10.919 -16.668 1.00 0.00 O ATOM 813 CB LYS A 22 10.712 13.860 -17.995 1.00 0.00 C ATOM 814 CG LYS A 22 12.228 13.667 -18.023 1.00 0.00 C ATOM 815 CD LYS A 22 12.909 15.025 -18.226 1.00 0.00 C ATOM 816 CE LYS A 22 13.326 15.180 -19.691 1.00 0.00 C ATOM 817 NZ LYS A 22 12.259 15.903 -20.438 1.00 0.00 N ATOM 0 H LYS A 22 8.184 13.616 -18.100 1.00 0.00 H new ATOM 0 HA LYS A 22 10.446 11.929 -18.920 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.403 14.503 -18.819 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.417 14.360 -17.072 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.566 13.214 -17.091 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.504 12.985 -18.827 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.229 15.829 -17.944 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.783 15.105 -17.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.266 15.728 -19.757 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.497 14.200 -20.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.916 15.306 -21.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.471 16.120 -19.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.645 16.788 -20.824 1.00 0.00 H new ATOM 818 N ASP A 23 9.373 11.983 -15.799 1.00 0.00 N ATOM 819 CA ASP A 23 9.521 11.241 -14.512 1.00 0.00 C ATOM 820 C ASP A 23 9.014 9.801 -14.697 1.00 0.00 C ATOM 821 O ASP A 23 9.444 8.894 -13.986 1.00 0.00 O ATOM 822 CB ASP A 23 8.712 11.927 -13.402 1.00 0.00 C ATOM 823 CG ASP A 23 9.017 11.257 -12.061 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.183 11.175 -11.714 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.078 10.838 -11.405 1.00 0.00 O ATOM 0 H ASP A 23 8.607 12.656 -15.830 1.00 0.00 H new ATOM 0 HA ASP A 23 10.573 11.233 -14.227 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.963 12.987 -13.357 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.646 11.861 -13.620 1.00 0.00 H new ATOM 826 N GLU A 24 8.105 9.559 -15.628 1.00 0.00 N ATOM 827 CA GLU A 24 7.600 8.167 -15.814 1.00 0.00 C ATOM 828 C GLU A 24 8.641 7.327 -16.569 1.00 0.00 C ATOM 829 O GLU A 24 8.943 6.202 -16.170 1.00 0.00 O ATOM 830 CB GLU A 24 6.283 8.175 -16.603 1.00 0.00 C ATOM 831 CG GLU A 24 5.453 6.947 -16.224 1.00 0.00 C ATOM 832 CD GLU A 24 3.982 7.201 -16.556 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.699 7.512 -17.702 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.163 7.082 -15.660 1.00 0.00 O ATOM 0 H GLU A 24 7.703 10.259 -16.252 1.00 0.00 H new ATOM 0 HA GLU A 24 7.423 7.731 -14.831 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.724 9.086 -16.388 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.488 8.172 -17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.812 6.071 -16.765 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.565 6.734 -15.161 1.00 0.00 H new ATOM 835 N LEU A 25 9.203 7.834 -17.648 1.00 0.00 N ATOM 836 CA LEU A 25 10.223 7.024 -18.397 1.00 0.00 C ATOM 837 C LEU A 25 11.536 6.925 -17.595 1.00 0.00 C ATOM 838 O LEU A 25 12.315 5.995 -17.798 1.00 0.00 O ATOM 839 CB LEU A 25 10.509 7.655 -19.765 1.00 0.00 C ATOM 840 CG LEU A 25 10.838 6.552 -20.777 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.590 5.695 -21.036 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.308 7.190 -22.089 1.00 0.00 C ATOM 0 H LEU A 25 9.004 8.756 -18.036 1.00 0.00 H new ATOM 0 HA LEU A 25 9.817 6.023 -18.540 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.644 8.226 -20.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.342 8.353 -19.688 1.00 0.00 H new ATOM 0 HG LEU A 25 11.629 5.918 -20.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.829 4.912 -21.756 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.261 5.240 -20.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.793 6.323 -21.434 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.543 6.407 -22.811 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.518 7.826 -22.488 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.198 7.791 -21.903 1.00 0.00 H new ATOM 843 N LYS A 26 11.806 7.839 -16.686 1.00 0.00 N ATOM 844 CA LYS A 26 13.070 7.746 -15.892 1.00 0.00 C ATOM 845 C LYS A 26 12.869 6.799 -14.692 1.00 0.00 C ATOM 846 O LYS A 26 13.830 6.220 -14.192 1.00 0.00 O ATOM 847 CB LYS A 26 13.479 9.137 -15.384 1.00 0.00 C ATOM 848 CG LYS A 26 14.852 9.059 -14.705 1.00 0.00 C ATOM 849 CD LYS A 26 15.928 9.599 -15.650 1.00 0.00 C ATOM 850 CE LYS A 26 16.168 11.081 -15.357 1.00 0.00 C ATOM 851 NZ LYS A 26 17.069 11.655 -16.397 1.00 0.00 N ATOM 0 H LYS A 26 11.209 8.636 -16.464 1.00 0.00 H new ATOM 0 HA LYS A 26 13.858 7.353 -16.534 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.513 9.842 -16.215 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.735 9.510 -14.680 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.844 9.636 -13.780 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.076 8.027 -14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.854 9.038 -15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.616 9.468 -16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.220 11.618 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.613 11.200 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.787 12.255 -15.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.539 10.884 -16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.511 12.227 -17.062 1.00 0.00 H new ATOM 852 N LYS A 27 11.651 6.619 -14.214 1.00 0.00 N ATOM 853 CA LYS A 27 11.443 5.694 -13.056 1.00 0.00 C ATOM 854 C LYS A 27 11.496 4.230 -13.533 1.00 0.00 C ATOM 855 O LYS A 27 11.906 3.346 -12.782 1.00 0.00 O ATOM 856 CB LYS A 27 10.082 5.963 -12.399 1.00 0.00 C ATOM 857 CG LYS A 27 10.130 7.299 -11.654 1.00 0.00 C ATOM 858 CD LYS A 27 10.481 7.056 -10.185 1.00 0.00 C ATOM 859 CE LYS A 27 9.793 8.107 -9.313 1.00 0.00 C ATOM 860 NZ LYS A 27 10.448 8.148 -7.974 1.00 0.00 N ATOM 0 H LYS A 27 10.808 7.068 -14.573 1.00 0.00 H new ATOM 0 HA LYS A 27 12.235 5.868 -12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.299 5.985 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.834 5.158 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.870 7.955 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.167 7.804 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.165 6.057 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.561 7.104 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.853 9.086 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.735 7.869 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.980 8.863 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.369 7.216 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.452 8.394 -8.086 1.00 0.00 H new ATOM 861 N SER A 28 11.089 3.940 -14.758 1.00 0.00 N ATOM 862 CA SER A 28 11.127 2.520 -15.231 1.00 0.00 C ATOM 863 C SER A 28 12.517 2.186 -15.798 1.00 0.00 C ATOM 864 O SER A 28 13.025 1.083 -15.597 1.00 0.00 O ATOM 865 CB SER A 28 10.072 2.304 -16.320 1.00 0.00 C ATOM 866 OG SER A 28 8.783 2.245 -15.722 1.00 0.00 O ATOM 0 H SER A 28 10.739 4.618 -15.435 1.00 0.00 H new ATOM 0 HA SER A 28 10.917 1.866 -14.385 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.111 3.116 -17.046 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.276 1.381 -16.862 1.00 0.00 H new ATOM 0 HG SER A 28 8.106 2.109 -16.417 1.00 0.00 H new ATOM 867 N LEU A 29 13.148 3.103 -16.503 1.00 0.00 N ATOM 868 CA LEU A 29 14.504 2.799 -17.074 1.00 0.00 C ATOM 869 C LEU A 29 15.539 2.688 -15.944 1.00 0.00 C ATOM 870 O LEU A 29 16.437 1.850 -15.996 1.00 0.00 O ATOM 871 CB LEU A 29 14.935 3.910 -18.043 1.00 0.00 C ATOM 872 CG LEU A 29 14.096 3.831 -19.319 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.415 5.029 -20.215 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.423 2.536 -20.065 1.00 0.00 C ATOM 0 H LEU A 29 12.788 4.036 -16.705 1.00 0.00 H new ATOM 0 HA LEU A 29 14.447 1.852 -17.612 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.810 4.885 -17.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.993 3.806 -18.284 1.00 0.00 H new ATOM 0 HG LEU A 29 13.038 3.844 -19.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.817 4.973 -21.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.182 5.952 -19.684 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.473 5.017 -20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.825 2.479 -20.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.481 2.523 -20.325 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.196 1.682 -19.428 1.00 0.00 H new ATOM 875 N HIS A 30 15.443 3.512 -14.928 1.00 0.00 N ATOM 876 CA HIS A 30 16.438 3.437 -13.807 1.00 0.00 C ATOM 877 C HIS A 30 16.318 2.091 -13.072 1.00 0.00 C ATOM 878 O HIS A 30 17.311 1.566 -12.570 1.00 0.00 O ATOM 879 CB HIS A 30 16.200 4.577 -12.806 1.00 0.00 C ATOM 880 CG HIS A 30 17.461 4.836 -12.030 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.491 4.831 -10.645 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.746 5.111 -12.432 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.755 5.095 -10.265 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.561 5.273 -11.315 1.00 0.00 N ATOM 0 H HIS A 30 14.725 4.229 -14.825 1.00 0.00 H new ATOM 0 HA HIS A 30 17.437 3.529 -14.234 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.893 5.480 -13.334 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.390 4.315 -12.126 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.074 5.189 -13.458 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.078 5.156 -9.236 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.559 5.483 -11.301 1.00 0.00 H new ATOM 885 N ALA A 31 15.136 1.519 -12.983 1.00 0.00 N ATOM 886 CA ALA A 31 14.998 0.212 -12.262 1.00 0.00 C ATOM 887 C ALA A 31 15.535 -0.930 -13.139 1.00 0.00 C ATOM 888 O ALA A 31 16.524 -1.569 -12.796 1.00 0.00 O ATOM 889 CB ALA A 31 13.524 -0.057 -11.931 1.00 0.00 C ATOM 0 H ALA A 31 14.273 1.896 -13.374 1.00 0.00 H new ATOM 0 HA ALA A 31 15.572 0.263 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.437 -1.009 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.142 0.743 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.945 -0.096 -12.854 1.00 0.00 H new ATOM 890 N ILE A 32 14.893 -1.223 -14.250 1.00 0.00 N ATOM 891 CA ILE A 32 15.356 -2.340 -15.121 1.00 0.00 C ATOM 892 C ILE A 32 16.883 -2.293 -15.360 1.00 0.00 C ATOM 893 O ILE A 32 17.590 -3.257 -15.070 1.00 0.00 O ATOM 894 CB ILE A 32 14.630 -2.324 -16.483 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.269 -0.901 -16.975 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.354 -3.161 -16.388 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.644 -0.755 -18.453 1.00 0.00 C ATOM 0 H ILE A 32 14.066 -0.730 -14.586 1.00 0.00 H new ATOM 0 HA ILE A 32 15.115 -3.263 -14.593 1.00 0.00 H new ATOM 0 HB ILE A 32 15.324 -2.744 -17.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.203 -0.719 -16.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.797 -0.155 -16.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.840 -3.151 -17.349 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.611 -4.187 -16.125 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.701 -2.743 -15.623 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.389 0.248 -18.796 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.715 -0.918 -18.575 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.096 -1.490 -19.042 1.00 0.00 H new ATOM 898 N PHE A 33 17.403 -1.219 -15.901 1.00 0.00 N ATOM 899 CA PHE A 33 18.881 -1.150 -16.177 1.00 0.00 C ATOM 900 C PHE A 33 19.702 -1.180 -14.873 1.00 0.00 C ATOM 901 O PHE A 33 20.825 -1.679 -14.863 1.00 0.00 O ATOM 902 CB PHE A 33 19.213 0.132 -16.950 1.00 0.00 C ATOM 903 CG PHE A 33 18.828 -0.050 -18.399 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.329 -1.138 -19.124 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.968 0.865 -19.016 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.970 -1.311 -20.465 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.607 0.692 -20.358 1.00 0.00 C ATOM 908 CZ PHE A 33 18.108 -0.396 -21.082 1.00 0.00 C ATOM 0 H PHE A 33 16.874 -0.387 -16.164 1.00 0.00 H new ATOM 0 HA PHE A 33 19.145 -2.024 -16.773 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.676 0.979 -16.522 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.277 0.355 -16.869 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.993 -1.844 -18.648 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.582 1.705 -18.457 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.357 -2.150 -21.024 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.942 1.398 -20.834 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.830 -0.530 -22.117 1.00 0.00 H new ATOM 909 N SER A 34 19.193 -0.653 -13.779 1.00 0.00 N ATOM 910 CA SER A 34 19.998 -0.671 -12.508 1.00 0.00 C ATOM 911 C SER A 34 20.270 -2.121 -12.063 1.00 0.00 C ATOM 912 O SER A 34 21.305 -2.405 -11.463 1.00 0.00 O ATOM 913 CB SER A 34 19.258 0.070 -11.389 1.00 0.00 C ATOM 914 OG SER A 34 17.924 -0.411 -11.304 1.00 0.00 O ATOM 0 H SER A 34 18.273 -0.219 -13.710 1.00 0.00 H new ATOM 0 HA SER A 34 20.946 -0.169 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.771 -0.079 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.258 1.142 -11.587 1.00 0.00 H new ATOM 0 HG SER A 34 17.788 -1.118 -11.969 1.00 0.00 H new ATOM 915 N ARG A 35 19.373 -3.052 -12.330 1.00 0.00 N ATOM 916 CA ARG A 35 19.613 -4.473 -11.898 1.00 0.00 C ATOM 917 C ARG A 35 21.011 -4.943 -12.344 1.00 0.00 C ATOM 918 O ARG A 35 21.669 -5.705 -11.637 1.00 0.00 O ATOM 919 CB ARG A 35 18.556 -5.400 -12.513 1.00 0.00 C ATOM 920 CG ARG A 35 17.181 -5.065 -11.931 1.00 0.00 C ATOM 921 CD ARG A 35 16.100 -5.307 -12.988 1.00 0.00 C ATOM 922 NE ARG A 35 15.452 -6.626 -12.741 1.00 0.00 N ATOM 923 CZ ARG A 35 15.543 -7.575 -13.633 1.00 0.00 C ATOM 924 NH1 ARG A 35 16.541 -8.414 -13.595 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.633 -7.685 -14.562 1.00 0.00 N ATOM 0 H ARG A 35 18.495 -2.890 -12.823 1.00 0.00 H new ATOM 0 HA ARG A 35 19.547 -4.512 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.542 -5.284 -13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.806 -6.441 -12.307 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.988 -5.680 -11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.157 -4.025 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.356 -4.511 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.540 -5.287 -13.985 1.00 0.00 H new ATOM 0 HE ARG A 35 14.937 -6.787 -11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.251 -8.329 -12.868 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.611 -9.155 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.852 -7.030 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.703 -8.426 -15.259 1.00 0.00 H new ATOM 926 N PHE A 36 21.481 -4.518 -13.499 1.00 0.00 N ATOM 927 CA PHE A 36 22.832 -4.963 -13.962 1.00 0.00 C ATOM 928 C PHE A 36 23.900 -3.946 -13.525 1.00 0.00 C ATOM 929 O PHE A 36 24.546 -3.312 -14.359 1.00 0.00 O ATOM 930 CB PHE A 36 22.841 -5.085 -15.490 1.00 0.00 C ATOM 931 CG PHE A 36 21.969 -6.243 -15.910 1.00 0.00 C ATOM 932 CD1 PHE A 36 22.244 -7.533 -15.440 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.888 -6.027 -16.772 1.00 0.00 C ATOM 934 CE1 PHE A 36 21.435 -8.607 -15.832 1.00 0.00 C ATOM 935 CE2 PHE A 36 20.080 -7.100 -17.164 1.00 0.00 C ATOM 936 CZ PHE A 36 20.352 -8.390 -16.694 1.00 0.00 C ATOM 0 H PHE A 36 20.989 -3.888 -14.133 1.00 0.00 H new ATOM 0 HA PHE A 36 23.056 -5.933 -13.517 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.478 -4.161 -15.941 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.860 -5.235 -15.847 1.00 0.00 H new ATOM 0 HD1 PHE A 36 23.079 -7.700 -14.776 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.677 -5.032 -17.135 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.646 -9.602 -15.470 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.246 -6.933 -17.830 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.727 -9.218 -16.996 1.00 0.00 H new ATOM 937 N GLY A 37 24.113 -3.779 -12.236 1.00 0.00 N ATOM 938 CA GLY A 37 25.151 -2.811 -11.773 1.00 0.00 C ATOM 939 C GLY A 37 24.481 -1.511 -11.305 1.00 0.00 C ATOM 940 O GLY A 37 23.441 -1.540 -10.650 1.00 0.00 O ATOM 0 H GLY A 37 23.614 -4.270 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.729 -3.246 -10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.850 -2.599 -12.582 1.00 0.00 H new ATOM 941 N GLN A 38 25.054 -0.369 -11.621 1.00 0.00 N ATOM 942 CA GLN A 38 24.440 0.918 -11.187 1.00 0.00 C ATOM 943 C GLN A 38 24.418 1.898 -12.367 1.00 0.00 C ATOM 944 O GLN A 38 25.313 1.888 -13.210 1.00 0.00 O ATOM 945 CB GLN A 38 25.263 1.515 -10.043 1.00 0.00 C ATOM 946 CG GLN A 38 24.490 2.671 -9.407 1.00 0.00 C ATOM 947 CD GLN A 38 25.275 3.215 -8.207 1.00 0.00 C ATOM 948 OE1 GLN A 38 24.856 3.052 -7.064 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.401 3.860 -8.401 1.00 0.00 N ATOM 0 H GLN A 38 25.916 -0.279 -12.158 1.00 0.00 H new ATOM 0 HA GLN A 38 23.421 0.738 -10.846 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.475 0.750 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.223 1.869 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.331 3.462 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 38 23.505 2.331 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.753 3.998 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.924 4.223 -7.604 1.00 0.00 H new ATOM 950 N ILE A 39 23.417 2.746 -12.449 1.00 0.00 N ATOM 951 CA ILE A 39 23.354 3.717 -13.579 1.00 0.00 C ATOM 952 C ILE A 39 23.859 5.088 -13.104 1.00 0.00 C ATOM 953 O ILE A 39 23.470 5.566 -12.039 1.00 0.00 O ATOM 954 CB ILE A 39 21.907 3.843 -14.063 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.378 2.462 -14.455 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.854 4.770 -15.280 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.854 2.443 -14.326 1.00 0.00 C ATOM 0 H ILE A 39 22.647 2.804 -11.783 1.00 0.00 H new ATOM 0 HA ILE A 39 23.980 3.364 -14.398 1.00 0.00 H new ATOM 0 HB ILE A 39 21.292 4.256 -13.263 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.670 2.226 -15.478 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.817 1.697 -13.814 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.824 4.860 -15.625 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.231 5.755 -15.004 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.469 4.357 -16.079 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.477 1.459 -14.605 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.573 2.660 -13.295 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.424 3.197 -14.985 1.00 0.00 H new ATOM 958 N LEU A 40 24.718 5.735 -13.864 1.00 0.00 N ATOM 959 CA LEU A 40 25.231 7.071 -13.434 1.00 0.00 C ATOM 960 C LEU A 40 24.261 8.164 -13.898 1.00 0.00 C ATOM 961 O LEU A 40 23.964 9.098 -13.156 1.00 0.00 O ATOM 962 CB LEU A 40 26.615 7.328 -14.043 1.00 0.00 C ATOM 963 CG LEU A 40 27.615 6.305 -13.502 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.889 6.340 -14.350 1.00 0.00 C ATOM 965 CD2 LEU A 40 27.961 6.645 -12.050 1.00 0.00 C ATOM 0 H LEU A 40 25.080 5.395 -14.755 1.00 0.00 H new ATOM 0 HA LEU A 40 25.312 7.086 -12.347 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.563 7.260 -15.130 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.947 8.338 -13.802 1.00 0.00 H new ATOM 0 HG LEU A 40 27.174 5.309 -13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.602 5.611 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.645 6.097 -15.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.329 7.336 -14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.674 5.915 -11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.401 7.641 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.055 6.621 -11.445 1.00 0.00 H new ATOM 966 N ASP A 41 23.762 8.074 -15.110 1.00 0.00 N ATOM 967 CA ASP A 41 22.814 9.121 -15.602 1.00 0.00 C ATOM 968 C ASP A 41 21.985 8.579 -16.779 1.00 0.00 C ATOM 969 O ASP A 41 22.368 7.604 -17.424 1.00 0.00 O ATOM 970 CB ASP A 41 23.609 10.344 -16.063 1.00 0.00 C ATOM 971 CG ASP A 41 23.731 11.340 -14.908 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.742 11.984 -14.599 1.00 0.00 O ATOM 973 OD2 ASP A 41 24.813 11.442 -14.353 1.00 0.00 O ATOM 0 H ASP A 41 23.969 7.327 -15.773 1.00 0.00 H new ATOM 0 HA ASP A 41 22.139 9.399 -14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.600 10.040 -16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.113 10.815 -16.912 1.00 0.00 H new ATOM 974 N ILE A 42 20.859 9.191 -17.075 1.00 0.00 N ATOM 975 CA ILE A 42 20.021 8.707 -18.209 1.00 0.00 C ATOM 976 C ILE A 42 19.439 9.916 -18.959 1.00 0.00 C ATOM 977 O ILE A 42 18.768 10.758 -18.364 1.00 0.00 O ATOM 978 CB ILE A 42 18.879 7.843 -17.668 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.458 6.690 -16.845 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.062 7.279 -18.834 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.321 5.931 -16.159 1.00 0.00 C ATOM 0 H ILE A 42 20.490 10.002 -16.578 1.00 0.00 H new ATOM 0 HA ILE A 42 20.632 8.113 -18.889 1.00 0.00 H new ATOM 0 HB ILE A 42 18.233 8.453 -17.037 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.022 6.016 -17.490 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.154 7.075 -16.100 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.250 6.664 -18.446 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.648 8.100 -19.419 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.706 6.670 -19.469 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.733 5.110 -15.573 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.776 6.608 -15.501 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.642 5.533 -16.913 1.00 0.00 H new ATOM 982 N LEU A 43 19.679 10.027 -20.248 1.00 0.00 N ATOM 983 CA LEU A 43 19.130 11.193 -21.006 1.00 0.00 C ATOM 984 C LEU A 43 17.703 10.877 -21.476 1.00 0.00 C ATOM 985 O LEU A 43 17.487 9.961 -22.268 1.00 0.00 O ATOM 986 CB LEU A 43 20.013 11.492 -22.224 1.00 0.00 C ATOM 987 CG LEU A 43 21.010 12.598 -21.874 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.138 12.020 -21.018 1.00 0.00 C ATOM 989 CD2 LEU A 43 21.597 13.180 -23.162 1.00 0.00 C ATOM 0 H LEU A 43 20.226 9.366 -20.800 1.00 0.00 H new ATOM 0 HA LEU A 43 19.115 12.065 -20.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.546 10.592 -22.530 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.395 11.799 -23.068 1.00 0.00 H new ATOM 0 HG LEU A 43 20.499 13.383 -21.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 22.847 12.809 -20.770 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.722 11.604 -20.100 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.650 11.234 -21.573 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.308 13.968 -22.914 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.107 12.393 -23.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.795 13.594 -23.773 1.00 0.00 H new ATOM 990 N VAL A 44 16.720 11.617 -21.009 1.00 0.00 N ATOM 991 CA VAL A 44 15.311 11.353 -21.438 1.00 0.00 C ATOM 992 C VAL A 44 14.767 12.528 -22.274 1.00 0.00 C ATOM 993 O VAL A 44 13.557 12.724 -22.370 1.00 0.00 O ATOM 994 CB VAL A 44 14.442 11.217 -20.202 1.00 0.00 C ATOM 995 CG1 VAL A 44 13.041 10.744 -20.599 1.00 0.00 C ATOM 996 CG2 VAL A 44 15.061 10.213 -19.224 1.00 0.00 C ATOM 0 H VAL A 44 16.835 12.389 -20.352 1.00 0.00 H new ATOM 0 HA VAL A 44 15.294 10.443 -22.037 1.00 0.00 H new ATOM 0 HB VAL A 44 14.373 12.191 -19.717 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.423 10.649 -19.706 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.591 11.469 -21.277 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.111 9.777 -21.097 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.427 10.126 -18.342 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.146 9.240 -19.707 1.00 0.00 H new ATOM 0 HG23 VAL A 44 16.051 10.558 -18.926 1.00 0.00 H new ATOM 997 N SER A 45 15.624 13.318 -22.871 1.00 0.00 N ATOM 998 CA SER A 45 15.149 14.487 -23.693 1.00 0.00 C ATOM 999 C SER A 45 14.025 14.052 -24.649 1.00 0.00 C ATOM 1000 O SER A 45 14.042 12.941 -25.178 1.00 0.00 O ATOM 1001 CB SER A 45 16.309 15.055 -24.520 1.00 0.00 C ATOM 1002 OG SER A 45 15.851 16.180 -25.259 1.00 0.00 O ATOM 0 H SER A 45 16.637 13.208 -22.828 1.00 0.00 H new ATOM 0 HA SER A 45 14.771 15.250 -23.012 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.130 15.345 -23.865 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.696 14.293 -25.197 1.00 0.00 H new ATOM 0 HG SER A 45 16.590 16.547 -25.788 1.00 0.00 H new ATOM 1003 N ARG A 46 13.046 14.901 -24.885 1.00 0.00 N ATOM 1004 CA ARG A 46 11.936 14.520 -25.804 1.00 0.00 C ATOM 1005 C ARG A 46 11.885 15.493 -26.993 1.00 0.00 C ATOM 1006 O ARG A 46 10.807 15.867 -27.452 1.00 0.00 O ATOM 1007 CB ARG A 46 10.609 14.570 -25.046 1.00 0.00 C ATOM 1008 CG ARG A 46 10.544 13.408 -24.053 1.00 0.00 C ATOM 1009 CD ARG A 46 9.455 13.680 -23.014 1.00 0.00 C ATOM 1010 NE ARG A 46 8.141 13.212 -23.538 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.165 14.061 -23.706 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.896 14.939 -22.778 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.457 14.033 -24.802 1.00 0.00 N ATOM 0 H ARG A 46 12.974 15.834 -24.480 1.00 0.00 H new ATOM 0 HA ARG A 46 12.107 13.510 -26.176 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.515 15.519 -24.518 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.776 14.511 -25.746 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.333 12.478 -24.580 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.508 13.284 -23.560 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.691 13.167 -22.082 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.410 14.746 -22.789 1.00 0.00 H new ATOM 0 HE ARG A 46 8.005 12.227 -23.765 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.449 14.961 -21.921 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.133 15.603 -22.910 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.667 13.347 -25.527 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.694 14.697 -24.933 1.00 0.00 H new ATOM 1014 N SER A 47 13.024 15.906 -27.514 1.00 0.00 N ATOM 1015 CA SER A 47 13.006 16.845 -28.682 1.00 0.00 C ATOM 1016 C SER A 47 12.640 16.055 -29.946 1.00 0.00 C ATOM 1017 O SER A 47 12.592 14.826 -29.921 1.00 0.00 O ATOM 1018 CB SER A 47 14.387 17.488 -28.864 1.00 0.00 C ATOM 1019 OG SER A 47 15.358 16.466 -29.054 1.00 0.00 O ATOM 0 H SER A 47 13.951 15.636 -27.184 1.00 0.00 H new ATOM 0 HA SER A 47 12.272 17.631 -28.505 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.378 18.161 -29.721 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.640 18.088 -27.990 1.00 0.00 H new ATOM 0 HG SER A 47 16.242 16.872 -29.172 1.00 0.00 H new ATOM 1020 N LEU A 48 12.377 16.719 -31.055 1.00 0.00 N ATOM 1021 CA LEU A 48 12.014 15.963 -32.302 1.00 0.00 C ATOM 1022 C LEU A 48 13.097 14.914 -32.603 1.00 0.00 C ATOM 1023 O LEU A 48 12.790 13.783 -32.976 1.00 0.00 O ATOM 1024 CB LEU A 48 11.892 16.918 -33.497 1.00 0.00 C ATOM 1025 CG LEU A 48 11.227 16.188 -34.669 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.286 17.147 -35.400 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.302 15.691 -35.640 1.00 0.00 C ATOM 0 H LEU A 48 12.398 17.734 -31.149 1.00 0.00 H new ATOM 0 HA LEU A 48 11.054 15.472 -32.142 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.304 17.793 -33.219 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.878 17.277 -33.791 1.00 0.00 H new ATOM 0 HG LEU A 48 10.659 15.338 -34.290 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.813 16.628 -36.234 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.519 17.500 -34.711 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.854 17.997 -35.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.828 15.172 -36.473 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.871 16.540 -36.018 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.973 15.007 -35.121 1.00 0.00 H new ATOM 1028 N LYS A 49 14.357 15.257 -32.439 1.00 0.00 N ATOM 1029 CA LYS A 49 15.437 14.255 -32.712 1.00 0.00 C ATOM 1030 C LYS A 49 15.397 13.163 -31.630 1.00 0.00 C ATOM 1031 O LYS A 49 15.588 11.983 -31.922 1.00 0.00 O ATOM 1032 CB LYS A 49 16.814 14.933 -32.701 1.00 0.00 C ATOM 1033 CG LYS A 49 16.904 15.925 -33.862 1.00 0.00 C ATOM 1034 CD LYS A 49 18.048 16.908 -33.609 1.00 0.00 C ATOM 1035 CE LYS A 49 17.969 18.055 -34.618 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.325 17.550 -35.974 1.00 0.00 N ATOM 0 H LYS A 49 14.679 16.175 -32.132 1.00 0.00 H new ATOM 0 HA LYS A 49 15.272 13.814 -33.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.969 15.450 -31.754 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.601 14.184 -32.787 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.070 15.391 -34.798 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.963 16.465 -33.966 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.988 17.299 -32.593 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.007 16.397 -33.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.964 18.476 -34.628 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.648 18.857 -34.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.371 18.347 -36.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.250 17.077 -35.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.603 16.873 -36.293 1.00 0.00 H new ATOM 1037 N MET A 50 15.149 13.523 -30.386 1.00 0.00 N ATOM 1038 CA MET A 50 15.095 12.490 -29.309 1.00 0.00 C ATOM 1039 C MET A 50 13.638 12.048 -29.100 1.00 0.00 C ATOM 1040 O MET A 50 13.107 12.123 -27.992 1.00 0.00 O ATOM 1041 CB MET A 50 15.648 13.075 -28.002 1.00 0.00 C ATOM 1042 CG MET A 50 17.125 12.701 -27.850 1.00 0.00 C ATOM 1043 SD MET A 50 18.152 14.139 -28.239 1.00 0.00 S ATOM 1044 CE MET A 50 19.291 13.303 -29.367 1.00 0.00 C ATOM 0 H MET A 50 14.984 14.481 -30.078 1.00 0.00 H new ATOM 0 HA MET A 50 15.699 11.631 -29.600 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.536 14.159 -28.002 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.078 12.696 -27.154 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.323 12.363 -26.833 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.372 11.873 -28.515 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.027 14.017 -29.736 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.801 12.497 -28.838 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.733 12.890 -30.207 1.00 0.00 H new ATOM 1045 N ARG A 51 12.972 11.588 -30.138 1.00 0.00 N ATOM 1046 CA ARG A 51 11.555 11.149 -29.977 1.00 0.00 C ATOM 1047 C ARG A 51 11.503 9.617 -29.876 1.00 0.00 C ATOM 1048 O ARG A 51 12.086 8.912 -30.698 1.00 0.00 O ATOM 1049 CB ARG A 51 10.735 11.609 -31.187 1.00 0.00 C ATOM 1050 CG ARG A 51 9.357 12.085 -30.724 1.00 0.00 C ATOM 1051 CD ARG A 51 9.401 13.590 -30.450 1.00 0.00 C ATOM 1052 NE ARG A 51 8.069 14.189 -30.749 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.063 13.978 -29.943 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.318 12.917 -30.094 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.804 14.827 -28.986 1.00 0.00 N ATOM 0 H ARG A 51 13.350 11.500 -31.081 1.00 0.00 H new ATOM 0 HA ARG A 51 11.140 11.588 -29.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.254 12.415 -31.705 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.628 10.790 -31.898 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.610 11.865 -31.487 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.060 11.549 -29.823 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.669 13.773 -29.409 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.169 14.060 -31.064 1.00 0.00 H new ATOM 0 HE ARG A 51 7.943 14.763 -31.583 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.521 12.253 -30.841 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.532 12.752 -29.465 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.387 15.655 -28.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.018 14.662 -28.357 1.00 0.00 H new ATOM 1056 N GLY A 52 10.820 9.084 -28.886 1.00 0.00 N ATOM 1057 CA GLY A 52 10.744 7.601 -28.747 1.00 0.00 C ATOM 1058 C GLY A 52 12.160 7.011 -28.648 1.00 0.00 C ATOM 1059 O GLY A 52 12.438 5.950 -29.205 1.00 0.00 O ATOM 0 H GLY A 52 10.316 9.614 -28.174 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.169 7.339 -27.859 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.221 7.173 -29.603 1.00 0.00 H new ATOM 1060 N GLN A 53 13.067 7.671 -27.955 1.00 0.00 N ATOM 1061 CA GLN A 53 14.457 7.127 -27.839 1.00 0.00 C ATOM 1062 C GLN A 53 15.178 7.777 -26.645 1.00 0.00 C ATOM 1063 O GLN A 53 14.856 8.897 -26.252 1.00 0.00 O ATOM 1064 CB GLN A 53 15.229 7.431 -29.125 1.00 0.00 C ATOM 1065 CG GLN A 53 15.205 8.938 -29.392 1.00 0.00 C ATOM 1066 CD GLN A 53 16.517 9.358 -30.065 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.533 9.528 -29.395 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.557 9.540 -31.363 1.00 0.00 N ATOM 0 H GLN A 53 12.903 8.554 -27.471 1.00 0.00 H new ATOM 0 HA GLN A 53 14.408 6.049 -27.684 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.258 7.084 -29.034 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.784 6.895 -29.964 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.359 9.192 -30.030 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.073 9.482 -28.457 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.716 9.400 -31.924 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.429 9.821 -31.812 1.00 0.00 H new ATOM 1069 N ALA A 54 16.144 7.104 -26.058 1.00 0.00 N ATOM 1070 CA ALA A 54 16.863 7.705 -24.893 1.00 0.00 C ATOM 1071 C ALA A 54 18.295 7.144 -24.813 1.00 0.00 C ATOM 1072 O ALA A 54 18.726 6.392 -25.685 1.00 0.00 O ATOM 1073 CB ALA A 54 16.108 7.369 -23.605 1.00 0.00 C ATOM 0 H ALA A 54 16.460 6.174 -26.334 1.00 0.00 H new ATOM 0 HA ALA A 54 16.912 8.787 -25.019 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.629 7.806 -22.753 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.098 7.775 -23.659 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.058 6.287 -23.484 1.00 0.00 H new ATOM 1074 N PHE A 55 19.040 7.491 -23.787 1.00 0.00 N ATOM 1075 CA PHE A 55 20.433 6.971 -23.664 1.00 0.00 C ATOM 1076 C PHE A 55 20.676 6.515 -22.219 1.00 0.00 C ATOM 1077 O PHE A 55 20.097 7.064 -21.284 1.00 0.00 O ATOM 1078 CB PHE A 55 21.428 8.079 -24.012 1.00 0.00 C ATOM 1079 CG PHE A 55 21.185 8.561 -25.422 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.081 9.373 -25.703 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.067 8.198 -26.446 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.858 9.823 -27.011 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.845 8.647 -27.752 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.741 9.460 -28.035 1.00 0.00 C ATOM 0 H PHE A 55 18.740 8.110 -23.034 1.00 0.00 H new ATOM 0 HA PHE A 55 20.568 6.132 -24.347 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.323 8.908 -23.312 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.448 7.707 -23.916 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.401 9.653 -24.912 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.919 7.571 -26.228 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.006 10.449 -27.229 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.525 8.366 -28.542 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.570 9.807 -29.043 1.00 0.00 H new ATOM 1085 N VAL A 56 21.522 5.530 -22.006 1.00 0.00 N ATOM 1086 CA VAL A 56 21.785 5.073 -20.609 1.00 0.00 C ATOM 1087 C VAL A 56 23.299 4.954 -20.394 1.00 0.00 C ATOM 1088 O VAL A 56 24.025 4.510 -21.280 1.00 0.00 O ATOM 1089 CB VAL A 56 21.134 3.709 -20.374 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.228 3.346 -18.891 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.661 3.759 -20.792 1.00 0.00 C ATOM 0 H VAL A 56 22.034 5.031 -22.733 1.00 0.00 H new ATOM 0 HA VAL A 56 21.365 5.796 -19.910 1.00 0.00 H new ATOM 0 HB VAL A 56 21.653 2.957 -20.968 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.764 2.374 -18.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.275 3.304 -18.592 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.712 4.101 -18.298 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.202 2.785 -20.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.141 4.513 -20.202 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.591 4.014 -21.849 1.00 0.00 H new ATOM 1092 N ILE A 57 23.798 5.336 -19.238 1.00 0.00 N ATOM 1093 CA ILE A 57 25.264 5.229 -18.995 1.00 0.00 C ATOM 1094 C ILE A 57 25.511 4.282 -17.814 1.00 0.00 C ATOM 1095 O ILE A 57 24.784 4.314 -16.821 1.00 0.00 O ATOM 1096 CB ILE A 57 25.834 6.612 -18.673 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.500 7.581 -19.810 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.353 6.512 -18.521 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.302 8.988 -19.244 1.00 0.00 C ATOM 0 H ILE A 57 23.253 5.713 -18.462 1.00 0.00 H new ATOM 0 HA ILE A 57 25.755 4.838 -19.886 1.00 0.00 H new ATOM 0 HB ILE A 57 25.396 6.978 -17.744 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.304 7.584 -20.546 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.597 7.255 -20.325 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.761 7.496 -18.292 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.593 5.822 -17.712 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.788 6.146 -19.451 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.064 9.676 -20.055 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.483 8.979 -18.524 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.217 9.313 -18.749 1.00 0.00 H new ATOM 1100 N PHE A 58 26.515 3.437 -17.892 1.00 0.00 N ATOM 1101 CA PHE A 58 26.784 2.500 -16.766 1.00 0.00 C ATOM 1102 C PHE A 58 28.166 2.799 -16.171 1.00 0.00 C ATOM 1103 O PHE A 58 29.071 3.242 -16.876 1.00 0.00 O ATOM 1104 CB PHE A 58 26.756 1.061 -17.283 1.00 0.00 C ATOM 1105 CG PHE A 58 25.325 0.629 -17.499 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.702 0.865 -18.730 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.622 -0.008 -16.470 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.377 0.463 -18.933 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.297 -0.409 -16.671 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.674 -0.174 -17.903 1.00 0.00 C ATOM 0 H PHE A 58 27.153 3.360 -18.684 1.00 0.00 H new ATOM 0 HA PHE A 58 26.021 2.627 -15.998 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.313 0.988 -18.217 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.243 0.397 -16.568 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.244 1.358 -19.524 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.103 -0.190 -15.520 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.897 0.644 -19.883 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.755 -0.900 -15.876 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.651 -0.484 -18.059 1.00 0.00 H new ATOM 1111 N LYS A 59 28.358 2.564 -14.888 1.00 0.00 N ATOM 1112 CA LYS A 59 29.700 2.841 -14.275 1.00 0.00 C ATOM 1113 C LYS A 59 30.782 2.071 -15.050 1.00 0.00 C ATOM 1114 O LYS A 59 31.870 2.590 -15.294 1.00 0.00 O ATOM 1115 CB LYS A 59 29.719 2.398 -12.806 1.00 0.00 C ATOM 1116 CG LYS A 59 30.654 3.311 -12.010 1.00 0.00 C ATOM 1117 CD LYS A 59 30.737 2.823 -10.562 1.00 0.00 C ATOM 1118 CE LYS A 59 29.593 3.432 -9.751 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.041 3.649 -8.347 1.00 0.00 N ATOM 0 H LYS A 59 27.653 2.198 -14.249 1.00 0.00 H new ATOM 0 HA LYS A 59 29.896 3.912 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.712 2.439 -12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.053 1.363 -12.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.646 3.314 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.288 4.337 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.680 1.735 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.696 3.105 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 29.281 4.377 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 59 28.727 2.770 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 29.263 4.063 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 30.318 2.739 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.855 4.296 -8.338 1.00 0.00 H new ATOM 1120 N GLU A 60 30.510 0.845 -15.447 1.00 0.00 N ATOM 1121 CA GLU A 60 31.525 0.066 -16.204 1.00 0.00 C ATOM 1122 C GLU A 60 30.949 -0.328 -17.572 1.00 0.00 C ATOM 1123 O GLU A 60 29.736 -0.300 -17.776 1.00 0.00 O ATOM 1124 CB GLU A 60 31.890 -1.197 -15.419 1.00 0.00 C ATOM 1125 CG GLU A 60 32.676 -0.809 -14.165 1.00 0.00 C ATOM 1126 CD GLU A 60 33.442 -2.028 -13.644 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.477 -2.337 -14.211 1.00 0.00 O ATOM 1128 OE2 GLU A 60 32.980 -2.629 -12.690 1.00 0.00 O ATOM 0 H GLU A 60 29.629 0.360 -15.276 1.00 0.00 H new ATOM 0 HA GLU A 60 32.418 0.674 -16.347 1.00 0.00 H new ATOM 0 HB2 GLU A 60 30.986 -1.739 -15.141 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.485 -1.866 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.370 -0.001 -14.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.997 -0.438 -13.398 1.00 0.00 H new ATOM 1129 N VAL A 61 31.788 -0.696 -18.517 1.00 0.00 N ATOM 1130 CA VAL A 61 31.263 -1.089 -19.866 1.00 0.00 C ATOM 1131 C VAL A 61 30.613 -2.480 -19.787 1.00 0.00 C ATOM 1132 O VAL A 61 29.607 -2.739 -20.445 1.00 0.00 O ATOM 1133 CB VAL A 61 32.404 -1.115 -20.893 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.841 -1.440 -22.280 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.086 0.255 -20.928 1.00 0.00 C ATOM 0 H VAL A 61 32.802 -0.741 -18.413 1.00 0.00 H new ATOM 0 HA VAL A 61 30.519 -0.357 -20.179 1.00 0.00 H new ATOM 0 HB VAL A 61 33.129 -1.878 -20.610 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.653 -1.458 -23.007 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.354 -2.415 -22.256 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.115 -0.679 -22.565 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.897 0.239 -21.656 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.359 1.016 -21.211 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.489 0.486 -19.942 1.00 0.00 H new ATOM 1136 N SER A 62 31.162 -3.386 -19.007 1.00 0.00 N ATOM 1137 CA SER A 62 30.554 -4.755 -18.912 1.00 0.00 C ATOM 1138 C SER A 62 29.108 -4.660 -18.392 1.00 0.00 C ATOM 1139 O SER A 62 28.251 -5.443 -18.791 1.00 0.00 O ATOM 1140 CB SER A 62 31.372 -5.637 -17.961 1.00 0.00 C ATOM 1141 OG SER A 62 31.088 -5.267 -16.617 1.00 0.00 O ATOM 0 H SER A 62 31.996 -3.239 -18.438 1.00 0.00 H new ATOM 0 HA SER A 62 30.555 -5.199 -19.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.128 -6.687 -18.121 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.437 -5.522 -18.165 1.00 0.00 H new ATOM 0 HG SER A 62 31.608 -5.830 -16.006 1.00 0.00 H new ATOM 1142 N SER A 63 28.813 -3.732 -17.502 1.00 0.00 N ATOM 1143 CA SER A 63 27.410 -3.629 -16.971 1.00 0.00 C ATOM 1144 C SER A 63 26.423 -3.324 -18.113 1.00 0.00 C ATOM 1145 O SER A 63 25.291 -3.813 -18.109 1.00 0.00 O ATOM 1146 CB SER A 63 27.319 -2.515 -15.920 1.00 0.00 C ATOM 1147 OG SER A 63 28.535 -2.459 -15.185 1.00 0.00 O ATOM 0 H SER A 63 29.473 -3.052 -17.126 1.00 0.00 H new ATOM 0 HA SER A 63 27.150 -4.584 -16.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.130 -1.557 -16.405 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.483 -2.702 -15.247 1.00 0.00 H new ATOM 0 HG SER A 63 28.479 -1.747 -14.514 1.00 0.00 H new ATOM 1148 N ALA A 64 26.814 -2.537 -19.094 1.00 0.00 N ATOM 1149 CA ALA A 64 25.872 -2.229 -20.216 1.00 0.00 C ATOM 1150 C ALA A 64 25.749 -3.453 -21.132 1.00 0.00 C ATOM 1151 O ALA A 64 24.695 -3.688 -21.720 1.00 0.00 O ATOM 1152 CB ALA A 64 26.381 -1.031 -21.032 1.00 0.00 C ATOM 0 H ALA A 64 27.734 -2.101 -19.163 1.00 0.00 H new ATOM 0 HA ALA A 64 24.897 -1.981 -19.796 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.684 -0.821 -21.843 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.459 -0.157 -20.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.362 -1.264 -21.447 1.00 0.00 H new ATOM 1153 N THR A 65 26.796 -4.240 -21.275 1.00 0.00 N ATOM 1154 CA THR A 65 26.696 -5.434 -22.164 1.00 0.00 C ATOM 1155 C THR A 65 25.639 -6.405 -21.616 1.00 0.00 C ATOM 1156 O THR A 65 24.893 -7.013 -22.379 1.00 0.00 O ATOM 1157 CB THR A 65 28.046 -6.158 -22.260 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.070 -5.214 -22.545 1.00 0.00 O ATOM 1159 CG2 THR A 65 27.984 -7.202 -23.375 1.00 0.00 C ATOM 0 H THR A 65 27.699 -4.105 -20.820 1.00 0.00 H new ATOM 0 HA THR A 65 26.407 -5.095 -23.159 1.00 0.00 H new ATOM 0 HB THR A 65 28.264 -6.652 -21.313 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.933 -5.675 -22.605 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.942 -7.717 -23.445 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.199 -7.925 -23.154 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.767 -6.710 -24.323 1.00 0.00 H new ATOM 1160 N ASN A 66 25.552 -6.567 -20.312 1.00 0.00 N ATOM 1161 CA ASN A 66 24.528 -7.505 -19.747 1.00 0.00 C ATOM 1162 C ASN A 66 23.129 -6.880 -19.875 1.00 0.00 C ATOM 1163 O ASN A 66 22.155 -7.582 -20.127 1.00 0.00 O ATOM 1164 CB ASN A 66 24.825 -7.793 -18.270 1.00 0.00 C ATOM 1165 CG ASN A 66 26.128 -8.594 -18.156 1.00 0.00 C ATOM 1166 OD1 ASN A 66 27.073 -8.155 -17.504 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.237 -9.754 -18.759 1.00 0.00 N ATOM 0 H ASN A 66 26.139 -6.096 -19.624 1.00 0.00 H new ATOM 0 HA ASN A 66 24.565 -8.441 -20.304 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.911 -6.858 -17.717 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.002 -8.352 -17.825 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.103 -10.288 -18.686 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.455 -10.122 -19.301 1.00 0.00 H new ATOM 1168 N ALA A 67 23.000 -5.580 -19.707 1.00 0.00 N ATOM 1169 CA ALA A 67 21.644 -4.945 -19.832 1.00 0.00 C ATOM 1170 C ALA A 67 21.124 -5.042 -21.284 1.00 0.00 C ATOM 1171 O ALA A 67 19.918 -4.971 -21.516 1.00 0.00 O ATOM 1172 CB ALA A 67 21.713 -3.466 -19.429 1.00 0.00 C ATOM 0 H ALA A 67 23.764 -4.940 -19.492 1.00 0.00 H new ATOM 0 HA ALA A 67 20.962 -5.479 -19.170 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.724 -3.017 -19.524 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.051 -3.386 -18.396 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.413 -2.944 -20.081 1.00 0.00 H new ATOM 1173 N LEU A 68 21.989 -5.188 -22.272 1.00 0.00 N ATOM 1174 CA LEU A 68 21.500 -5.267 -23.686 1.00 0.00 C ATOM 1175 C LEU A 68 21.113 -6.715 -24.035 1.00 0.00 C ATOM 1176 O LEU A 68 19.979 -6.986 -24.427 1.00 0.00 O ATOM 1177 CB LEU A 68 22.607 -4.796 -24.637 1.00 0.00 C ATOM 1178 CG LEU A 68 21.989 -4.077 -25.841 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.841 -2.859 -26.203 1.00 0.00 C ATOM 1180 CD2 LEU A 68 21.934 -5.033 -27.036 1.00 0.00 C ATOM 0 H LEU A 68 23.000 -5.255 -22.157 1.00 0.00 H new ATOM 0 HA LEU A 68 20.624 -4.628 -23.793 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.288 -4.126 -24.113 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.196 -5.649 -24.975 1.00 0.00 H new ATOM 0 HG LEU A 68 20.980 -3.752 -25.588 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.401 -2.348 -27.059 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.879 -2.176 -25.354 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.851 -3.183 -26.454 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.494 -4.521 -27.892 1.00 0.00 H new ATOM 0 HD22 LEU A 68 22.943 -5.359 -27.288 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.325 -5.900 -26.780 1.00 0.00 H new ATOM 1181 N ARG A 69 22.029 -7.652 -23.916 1.00 0.00 N ATOM 1182 CA ARG A 69 21.697 -9.079 -24.259 1.00 0.00 C ATOM 1183 C ARG A 69 20.418 -9.525 -23.527 1.00 0.00 C ATOM 1184 O ARG A 69 19.611 -10.276 -24.073 1.00 0.00 O ATOM 1185 CB ARG A 69 22.853 -10.005 -23.852 1.00 0.00 C ATOM 1186 CG ARG A 69 24.132 -9.601 -24.602 1.00 0.00 C ATOM 1187 CD ARG A 69 25.315 -9.555 -23.630 1.00 0.00 C ATOM 1188 NE ARG A 69 26.123 -10.799 -23.773 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.055 -11.730 -22.860 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.826 -11.670 -21.809 1.00 0.00 N ATOM 1191 NH2 ARG A 69 25.217 -12.721 -23.000 1.00 0.00 N ATOM 0 H ARG A 69 22.985 -7.493 -23.599 1.00 0.00 H new ATOM 0 HA ARG A 69 21.539 -9.141 -25.336 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.017 -9.946 -22.776 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.599 -11.040 -24.079 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.335 -10.313 -25.402 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.997 -8.626 -25.070 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.934 -8.681 -23.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 24.955 -9.458 -22.606 1.00 0.00 H new ATOM 0 HE ARG A 69 26.729 -10.923 -24.584 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.481 -10.896 -21.701 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.773 -12.397 -21.096 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.616 -12.768 -23.822 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.164 -13.448 -22.287 1.00 0.00 H new ATOM 1192 N SER A 70 20.215 -9.087 -22.305 1.00 0.00 N ATOM 1193 CA SER A 70 18.986 -9.503 -21.558 1.00 0.00 C ATOM 1194 C SER A 70 17.771 -8.703 -22.055 1.00 0.00 C ATOM 1195 O SER A 70 16.664 -9.233 -22.133 1.00 0.00 O ATOM 1196 CB SER A 70 19.171 -9.256 -20.055 1.00 0.00 C ATOM 1197 OG SER A 70 19.718 -10.421 -19.453 1.00 0.00 O ATOM 0 H SER A 70 20.843 -8.464 -21.797 1.00 0.00 H new ATOM 0 HA SER A 70 18.819 -10.566 -21.732 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.832 -8.404 -19.893 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.214 -9.009 -19.595 1.00 0.00 H new ATOM 0 HG SER A 70 19.414 -10.482 -18.523 1.00 0.00 H new ATOM 1198 N MET A 71 17.943 -7.440 -22.392 1.00 0.00 N ATOM 1199 CA MET A 71 16.782 -6.638 -22.874 1.00 0.00 C ATOM 1200 C MET A 71 16.827 -6.507 -24.407 1.00 0.00 C ATOM 1201 O MET A 71 16.426 -5.483 -24.958 1.00 0.00 O ATOM 1202 CB MET A 71 16.830 -5.246 -22.242 1.00 0.00 C ATOM 1203 CG MET A 71 16.395 -5.335 -20.778 1.00 0.00 C ATOM 1204 SD MET A 71 15.837 -3.708 -20.214 1.00 0.00 S ATOM 1205 CE MET A 71 14.059 -4.047 -20.273 1.00 0.00 C ATOM 0 H MET A 71 18.832 -6.941 -22.352 1.00 0.00 H new ATOM 0 HA MET A 71 15.858 -7.141 -22.588 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.839 -4.839 -22.309 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.175 -4.565 -22.786 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.592 -6.064 -20.670 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.225 -5.681 -20.161 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.525 -3.141 -20.558 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.862 -4.830 -21.005 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.718 -4.375 -19.291 1.00 0.00 H new ATOM 1206 N GLN A 72 17.293 -7.518 -25.115 1.00 0.00 N ATOM 1207 CA GLN A 72 17.331 -7.417 -26.607 1.00 0.00 C ATOM 1208 C GLN A 72 15.910 -7.618 -27.150 1.00 0.00 C ATOM 1209 O GLN A 72 15.454 -8.748 -27.313 1.00 0.00 O ATOM 1210 CB GLN A 72 18.258 -8.492 -27.194 1.00 0.00 C ATOM 1211 CG GLN A 72 19.646 -7.896 -27.433 1.00 0.00 C ATOM 1212 CD GLN A 72 19.720 -7.325 -28.855 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.040 -8.045 -29.798 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.439 -6.062 -29.069 1.00 0.00 N ATOM 0 H GLN A 72 17.642 -8.394 -24.726 1.00 0.00 H new ATOM 0 HA GLN A 72 17.711 -6.436 -26.892 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.327 -9.339 -26.512 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.847 -8.870 -28.130 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.847 -7.111 -26.704 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.410 -8.661 -27.297 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.173 -5.460 -28.290 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.487 -5.682 -30.014 1.00 0.00 H new ATOM 1215 N GLY A 73 15.190 -6.550 -27.419 1.00 0.00 N ATOM 1216 CA GLY A 73 13.798 -6.705 -27.930 1.00 0.00 C ATOM 1217 C GLY A 73 12.894 -7.139 -26.768 1.00 0.00 C ATOM 1218 O GLY A 73 12.440 -8.280 -26.716 1.00 0.00 O ATOM 0 H GLY A 73 15.508 -5.588 -27.306 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.444 -5.765 -28.354 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.769 -7.446 -28.729 1.00 0.00 H new ATOM 1219 N PHE A 74 12.630 -6.258 -25.825 1.00 0.00 N ATOM 1220 CA PHE A 74 11.767 -6.643 -24.669 1.00 0.00 C ATOM 1221 C PHE A 74 10.540 -5.716 -24.604 1.00 0.00 C ATOM 1222 O PHE A 74 10.469 -4.739 -25.346 1.00 0.00 O ATOM 1223 CB PHE A 74 12.578 -6.518 -23.373 1.00 0.00 C ATOM 1224 CG PHE A 74 12.898 -7.893 -22.835 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.502 -8.846 -23.664 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.593 -8.214 -21.507 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.799 -10.120 -23.165 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.891 -9.488 -21.008 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.494 -10.441 -21.837 1.00 0.00 C ATOM 0 H PHE A 74 12.974 -5.298 -25.811 1.00 0.00 H new ATOM 0 HA PHE A 74 11.429 -7.672 -24.792 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.500 -5.968 -23.562 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.014 -5.950 -22.633 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.739 -8.598 -24.688 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.128 -7.479 -20.867 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.264 -10.855 -23.805 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.656 -9.735 -19.983 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.724 -11.424 -21.452 1.00 0.00 H new ATOM 1230 N PRO A 75 9.599 -6.027 -23.725 1.00 0.00 N ATOM 1231 CA PRO A 75 8.379 -5.214 -23.570 1.00 0.00 C ATOM 1232 C PRO A 75 8.678 -3.940 -22.763 1.00 0.00 C ATOM 1233 O PRO A 75 9.371 -3.984 -21.748 1.00 0.00 O ATOM 1234 CB PRO A 75 7.421 -6.134 -22.808 1.00 0.00 C ATOM 1235 CG PRO A 75 8.301 -7.175 -22.079 1.00 0.00 C ATOM 1236 CD PRO A 75 9.653 -7.201 -22.814 1.00 0.00 C ATOM 0 HA PRO A 75 7.968 -4.878 -24.522 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.821 -5.566 -22.096 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.727 -6.623 -23.491 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.435 -6.904 -21.032 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.832 -8.159 -22.096 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.487 -7.125 -22.116 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.786 -8.129 -23.369 1.00 0.00 H new ATOM 1237 N PHE A 76 8.171 -2.805 -23.192 1.00 0.00 N ATOM 1238 CA PHE A 76 8.430 -1.539 -22.450 1.00 0.00 C ATOM 1239 C PHE A 76 7.315 -0.529 -22.769 1.00 0.00 C ATOM 1240 O PHE A 76 7.200 -0.063 -23.900 1.00 0.00 O ATOM 1241 CB PHE A 76 9.782 -0.966 -22.882 1.00 0.00 C ATOM 1242 CG PHE A 76 10.294 -0.007 -21.831 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.338 -0.397 -20.485 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.728 1.270 -22.203 1.00 0.00 C ATOM 1245 CE1 PHE A 76 10.816 0.492 -19.515 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.206 2.158 -21.232 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.250 1.769 -19.888 1.00 0.00 C ATOM 0 H PHE A 76 7.590 -2.707 -24.025 1.00 0.00 H new ATOM 0 HA PHE A 76 8.447 -1.736 -21.378 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.499 -1.774 -23.030 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.680 -0.452 -23.838 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.003 -1.383 -20.197 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.694 1.571 -23.240 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.850 0.192 -18.478 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.541 3.144 -21.520 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.619 2.454 -19.139 1.00 0.00 H new ATOM 1248 N TYR A 77 6.486 -0.193 -21.805 1.00 0.00 N ATOM 1249 CA TYR A 77 5.386 0.777 -22.068 1.00 0.00 C ATOM 1250 C TYR A 77 4.451 0.223 -23.154 1.00 0.00 C ATOM 1251 O TYR A 77 4.005 0.956 -24.034 1.00 0.00 O ATOM 1252 CB TYR A 77 5.970 2.116 -22.520 1.00 0.00 C ATOM 1253 CG TYR A 77 6.572 2.806 -21.325 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.643 2.221 -20.650 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.052 4.024 -20.890 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.198 2.851 -19.537 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.605 4.666 -19.775 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.681 4.077 -19.097 1.00 0.00 C ATOM 1259 OH TYR A 77 8.229 4.702 -17.995 1.00 0.00 O ATOM 0 H TYR A 77 6.529 -0.551 -20.851 1.00 0.00 H new ATOM 0 HA TYR A 77 4.818 0.928 -21.150 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.728 1.958 -23.287 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.192 2.738 -22.963 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.043 1.278 -20.990 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.221 4.473 -21.414 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.026 2.395 -19.014 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.204 5.611 -19.439 1.00 0.00 H new ATOM 0 HH TYR A 77 7.546 4.795 -17.298 1.00 0.00 H new ATOM 1260 N ASP A 78 4.139 -1.055 -23.111 1.00 0.00 N ATOM 1261 CA ASP A 78 3.229 -1.636 -24.142 1.00 0.00 C ATOM 1262 C ASP A 78 3.811 -1.395 -25.544 1.00 0.00 C ATOM 1263 O ASP A 78 3.207 -0.709 -26.368 1.00 0.00 O ATOM 1264 CB ASP A 78 1.853 -0.973 -24.034 1.00 0.00 C ATOM 1265 CG ASP A 78 1.037 -1.664 -22.941 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.699 -2.822 -23.125 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.764 -1.025 -21.939 1.00 0.00 O ATOM 0 H ASP A 78 4.476 -1.713 -22.408 1.00 0.00 H new ATOM 0 HA ASP A 78 3.131 -2.709 -23.977 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.965 0.086 -23.804 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.331 -1.038 -24.988 1.00 0.00 H new ATOM 1268 N LYS A 79 4.970 -1.947 -25.842 1.00 0.00 N ATOM 1269 CA LYS A 79 5.565 -1.736 -27.201 1.00 0.00 C ATOM 1270 C LYS A 79 6.903 -2.503 -27.318 1.00 0.00 C ATOM 1271 O LYS A 79 7.657 -2.556 -26.350 1.00 0.00 O ATOM 1272 CB LYS A 79 5.820 -0.242 -27.414 1.00 0.00 C ATOM 1273 CG LYS A 79 5.651 0.101 -28.895 1.00 0.00 C ATOM 1274 CD LYS A 79 5.382 1.601 -29.047 1.00 0.00 C ATOM 1275 CE LYS A 79 6.045 2.113 -30.327 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.385 3.380 -30.755 1.00 0.00 N ATOM 0 H LYS A 79 5.521 -2.527 -25.209 1.00 0.00 H new ATOM 0 HA LYS A 79 4.872 -2.107 -27.957 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.126 0.345 -26.813 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.826 0.016 -27.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.549 -0.176 -29.448 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.826 -0.472 -29.320 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.309 1.787 -29.082 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.771 2.140 -28.183 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.108 2.284 -30.156 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.965 1.364 -31.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.537 3.524 -31.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.365 3.322 -30.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.792 4.179 -30.228 1.00 0.00 H new ATOM 1277 N PRO A 80 7.186 -3.075 -28.479 1.00 0.00 N ATOM 1278 CA PRO A 80 8.438 -3.823 -28.686 1.00 0.00 C ATOM 1279 C PRO A 80 9.604 -2.848 -28.910 1.00 0.00 C ATOM 1280 O PRO A 80 9.549 -1.997 -29.796 1.00 0.00 O ATOM 1281 CB PRO A 80 8.168 -4.650 -29.946 1.00 0.00 C ATOM 1282 CG PRO A 80 7.031 -3.929 -30.706 1.00 0.00 C ATOM 1283 CD PRO A 80 6.310 -3.038 -29.679 1.00 0.00 C ATOM 0 HA PRO A 80 8.713 -4.443 -27.833 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.064 -4.721 -30.563 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.878 -5.668 -29.687 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.431 -3.331 -31.525 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.341 -4.650 -31.145 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.189 -2.021 -30.051 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.313 -3.417 -29.455 1.00 0.00 H new ATOM 1284 N MET A 81 10.657 -2.944 -28.126 1.00 0.00 N ATOM 1285 CA MET A 81 11.805 -2.008 -28.312 1.00 0.00 C ATOM 1286 C MET A 81 13.123 -2.796 -28.354 1.00 0.00 C ATOM 1287 O MET A 81 13.353 -3.690 -27.538 1.00 0.00 O ATOM 1288 CB MET A 81 11.845 -1.002 -27.155 1.00 0.00 C ATOM 1289 CG MET A 81 11.769 -1.742 -25.816 1.00 0.00 C ATOM 1290 SD MET A 81 12.721 -0.833 -24.572 1.00 0.00 S ATOM 1291 CE MET A 81 13.487 -2.268 -23.778 1.00 0.00 C ATOM 0 H MET A 81 10.766 -3.625 -27.374 1.00 0.00 H new ATOM 0 HA MET A 81 11.678 -1.473 -29.253 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.762 -0.415 -27.204 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.014 -0.302 -27.241 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.731 -1.836 -25.498 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.162 -2.753 -25.924 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.130 -1.933 -22.964 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.710 -2.922 -23.381 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.082 -2.814 -24.510 1.00 0.00 H new ATOM 1292 N ARG A 82 13.999 -2.482 -29.284 1.00 0.00 N ATOM 1293 CA ARG A 82 15.297 -3.211 -29.366 1.00 0.00 C ATOM 1294 C ARG A 82 16.412 -2.311 -28.817 1.00 0.00 C ATOM 1295 O ARG A 82 16.344 -1.088 -28.930 1.00 0.00 O ATOM 1296 CB ARG A 82 15.595 -3.564 -30.825 1.00 0.00 C ATOM 1297 CG ARG A 82 15.059 -4.963 -31.132 1.00 0.00 C ATOM 1298 CD ARG A 82 15.580 -5.422 -32.496 1.00 0.00 C ATOM 1299 NE ARG A 82 15.409 -6.896 -32.623 1.00 0.00 N ATOM 1300 CZ ARG A 82 14.845 -7.399 -33.687 1.00 0.00 C ATOM 1301 NH1 ARG A 82 13.545 -7.380 -33.809 1.00 0.00 N ATOM 1302 NH2 ARG A 82 15.580 -7.919 -34.631 1.00 0.00 N ATOM 0 H ARG A 82 13.866 -1.753 -29.985 1.00 0.00 H new ATOM 0 HA ARG A 82 15.242 -4.128 -28.779 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.134 -2.833 -31.489 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.669 -3.527 -31.007 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.373 -5.662 -30.357 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.969 -4.955 -31.131 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.040 -4.912 -33.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.632 -5.157 -32.603 1.00 0.00 H new ATOM 0 HE ARG A 82 15.733 -7.513 -31.878 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.970 -6.972 -33.072 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.105 -7.773 -34.641 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.596 -7.933 -34.538 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.139 -8.312 -35.463 1.00 0.00 H new ATOM 1303 N ILE A 83 17.433 -2.882 -28.216 1.00 0.00 N ATOM 1304 CA ILE A 83 18.531 -2.038 -27.662 1.00 0.00 C ATOM 1305 C ILE A 83 19.815 -2.234 -28.485 1.00 0.00 C ATOM 1306 O ILE A 83 20.125 -3.341 -28.922 1.00 0.00 O ATOM 1307 CB ILE A 83 18.789 -2.434 -26.206 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.496 -2.289 -25.401 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.865 -1.522 -25.607 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.715 -2.829 -23.986 1.00 0.00 C ATOM 0 H ILE A 83 17.548 -3.887 -28.088 1.00 0.00 H new ATOM 0 HA ILE A 83 18.236 -0.990 -27.711 1.00 0.00 H new ATOM 0 HB ILE A 83 19.129 -3.469 -26.169 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.196 -1.242 -25.360 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.688 -2.834 -25.889 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.047 -1.806 -24.570 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.788 -1.624 -26.178 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.527 -0.486 -25.646 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.795 -2.726 -23.411 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.995 -3.881 -24.037 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.511 -2.265 -23.500 1.00 0.00 H new ATOM 1311 N GLN A 84 20.574 -1.181 -28.700 1.00 0.00 N ATOM 1312 CA GLN A 84 21.837 -1.309 -29.486 1.00 0.00 C ATOM 1313 C GLN A 84 22.871 -0.310 -28.941 1.00 0.00 C ATOM 1314 O GLN A 84 22.535 0.835 -28.649 1.00 0.00 O ATOM 1315 CB GLN A 84 21.555 -0.999 -30.959 1.00 0.00 C ATOM 1316 CG GLN A 84 20.865 0.362 -31.074 1.00 0.00 C ATOM 1317 CD GLN A 84 20.703 0.736 -32.553 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.347 0.146 -33.417 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.871 1.689 -32.899 1.00 0.00 N ATOM 0 H GLN A 84 20.369 -0.240 -28.363 1.00 0.00 H new ATOM 0 HA GLN A 84 22.224 -2.324 -29.398 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.487 -0.995 -31.525 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.924 -1.776 -31.390 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.890 0.328 -30.588 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.451 1.123 -30.559 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.334 2.181 -32.185 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.761 1.938 -33.882 1.00 0.00 H new ATOM 1320 N TYR A 85 24.118 -0.712 -28.785 1.00 0.00 N ATOM 1321 CA TYR A 85 25.152 0.238 -28.241 1.00 0.00 C ATOM 1322 C TYR A 85 25.089 1.582 -28.992 1.00 0.00 C ATOM 1323 O TYR A 85 24.634 1.645 -30.132 1.00 0.00 O ATOM 1324 CB TYR A 85 26.558 -0.352 -28.405 1.00 0.00 C ATOM 1325 CG TYR A 85 26.711 -1.571 -27.527 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.415 -1.499 -26.157 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.155 -2.776 -28.083 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.566 -2.632 -25.349 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.306 -3.908 -27.274 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.010 -3.836 -25.909 1.00 0.00 C ATOM 1331 OH TYR A 85 27.162 -4.954 -25.115 1.00 0.00 O ATOM 0 H TYR A 85 24.461 -1.646 -29.008 1.00 0.00 H new ATOM 0 HA TYR A 85 24.942 0.397 -27.183 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.730 -0.620 -29.447 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.308 0.394 -28.140 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.071 -0.570 -25.727 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.381 -2.832 -29.137 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.340 -2.577 -24.294 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.651 -4.837 -27.704 1.00 0.00 H new ATOM 0 HH TYR A 85 26.523 -5.643 -25.394 1.00 0.00 H new ATOM 1332 N ALA A 86 25.537 2.657 -28.378 1.00 0.00 N ATOM 1333 CA ALA A 86 25.493 3.981 -29.075 1.00 0.00 C ATOM 1334 C ALA A 86 26.616 4.037 -30.121 1.00 0.00 C ATOM 1335 O ALA A 86 27.375 3.082 -30.278 1.00 0.00 O ATOM 1336 CB ALA A 86 25.677 5.120 -28.062 1.00 0.00 C ATOM 0 H ALA A 86 25.926 2.672 -27.435 1.00 0.00 H new ATOM 0 HA ALA A 86 24.525 4.098 -29.563 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.643 6.078 -28.581 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.879 5.080 -27.321 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.640 5.011 -27.563 1.00 0.00 H new ATOM 1337 N LYS A 87 26.741 5.128 -30.847 1.00 0.00 N ATOM 1338 CA LYS A 87 27.822 5.212 -31.878 1.00 0.00 C ATOM 1339 C LYS A 87 29.117 5.708 -31.218 1.00 0.00 C ATOM 1340 O LYS A 87 30.185 5.132 -31.417 1.00 0.00 O ATOM 1341 CB LYS A 87 27.420 6.182 -32.999 1.00 0.00 C ATOM 1342 CG LYS A 87 25.980 5.898 -33.447 1.00 0.00 C ATOM 1343 CD LYS A 87 25.676 6.641 -34.754 1.00 0.00 C ATOM 1344 CE LYS A 87 25.852 8.151 -34.557 1.00 0.00 C ATOM 1345 NZ LYS A 87 27.166 8.575 -35.119 1.00 0.00 N ATOM 0 H LYS A 87 26.147 5.953 -30.769 1.00 0.00 H new ATOM 0 HA LYS A 87 27.977 4.222 -32.307 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.504 7.211 -32.649 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.100 6.076 -33.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.840 4.826 -33.588 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.281 6.211 -32.671 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.340 6.290 -35.544 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.657 6.425 -35.075 1.00 0.00 H new ATOM 0 HE2 LYS A 87 25.043 8.690 -35.050 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.801 8.399 -33.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 27.587 9.303 -34.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 27.803 7.754 -35.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 27.026 8.964 -36.073 1.00 0.00 H new ATOM 1346 N THR A 88 29.052 6.766 -30.437 1.00 0.00 N ATOM 1347 CA THR A 88 30.283 7.282 -29.778 1.00 0.00 C ATOM 1348 C THR A 88 30.253 6.925 -28.284 1.00 0.00 C ATOM 1349 O THR A 88 29.301 6.313 -27.804 1.00 0.00 O ATOM 1350 CB THR A 88 30.345 8.803 -29.940 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.069 9.361 -29.657 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.748 9.150 -31.374 1.00 0.00 C ATOM 0 H THR A 88 28.199 7.287 -30.233 1.00 0.00 H new ATOM 0 HA THR A 88 31.161 6.830 -30.240 1.00 0.00 H new ATOM 0 HB THR A 88 31.082 9.212 -29.249 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.108 10.335 -29.759 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.792 10.233 -31.488 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.727 8.723 -31.590 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.013 8.742 -32.067 1.00 0.00 H new ATOM 1353 N ASP A 89 31.270 7.295 -27.533 1.00 0.00 N ATOM 1354 CA ASP A 89 31.273 6.967 -26.074 1.00 0.00 C ATOM 1355 C ASP A 89 30.528 8.068 -25.305 1.00 0.00 C ATOM 1356 O ASP A 89 30.067 9.042 -25.896 1.00 0.00 O ATOM 1357 CB ASP A 89 32.713 6.869 -25.558 1.00 0.00 C ATOM 1358 CG ASP A 89 33.352 5.578 -26.071 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.174 4.557 -25.426 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.009 5.631 -27.097 1.00 0.00 O ATOM 0 H ASP A 89 32.088 7.805 -27.867 1.00 0.00 H new ATOM 0 HA ASP A 89 30.776 6.009 -25.922 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.290 7.731 -25.893 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.722 6.884 -24.468 1.00 0.00 H new ATOM 1361 N SER A 90 30.398 7.940 -24.001 1.00 0.00 N ATOM 1362 CA SER A 90 29.678 8.992 -23.220 1.00 0.00 C ATOM 1363 C SER A 90 30.691 10.003 -22.664 1.00 0.00 C ATOM 1364 O SER A 90 31.869 9.688 -22.498 1.00 0.00 O ATOM 1365 CB SER A 90 28.917 8.343 -22.062 1.00 0.00 C ATOM 1366 OG SER A 90 29.752 7.381 -21.431 1.00 0.00 O ATOM 0 H SER A 90 30.757 7.159 -23.452 1.00 0.00 H new ATOM 0 HA SER A 90 28.973 9.506 -23.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.610 9.102 -21.343 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.008 7.867 -22.430 1.00 0.00 H new ATOM 0 HG SER A 90 29.433 6.480 -21.646 1.00 0.00 H new ATOM 1367 N ASP A 91 30.264 11.213 -22.370 1.00 0.00 N ATOM 1368 CA ASP A 91 31.213 12.227 -21.829 1.00 0.00 C ATOM 1369 C ASP A 91 31.231 12.200 -20.292 1.00 0.00 C ATOM 1370 O ASP A 91 32.198 12.655 -19.682 1.00 0.00 O ATOM 1371 CB ASP A 91 30.819 13.626 -22.314 1.00 0.00 C ATOM 1372 CG ASP A 91 31.429 13.880 -23.693 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.847 13.437 -24.668 1.00 0.00 O ATOM 1374 OD2 ASP A 91 32.470 14.514 -23.750 1.00 0.00 O ATOM 0 H ASP A 91 29.303 11.535 -22.483 1.00 0.00 H new ATOM 0 HA ASP A 91 32.212 11.983 -22.192 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.734 13.713 -22.363 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.167 14.379 -21.607 1.00 0.00 H new ATOM 1375 N ILE A 92 30.212 11.673 -19.637 1.00 0.00 N ATOM 1376 CA ILE A 92 30.258 11.631 -18.148 1.00 0.00 C ATOM 1377 C ILE A 92 31.487 10.810 -17.692 1.00 0.00 C ATOM 1378 O ILE A 92 31.982 11.008 -16.586 1.00 0.00 O ATOM 1379 CB ILE A 92 28.969 11.009 -17.587 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.822 9.560 -18.081 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.767 11.837 -18.053 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.723 8.613 -16.880 1.00 0.00 C ATOM 0 H ILE A 92 29.373 11.281 -20.066 1.00 0.00 H new ATOM 0 HA ILE A 92 30.342 12.649 -17.767 1.00 0.00 H new ATOM 0 HB ILE A 92 29.015 11.006 -16.498 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.933 9.466 -18.705 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.676 9.288 -18.701 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.850 11.401 -17.658 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.867 12.860 -17.691 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.728 11.840 -19.142 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.619 7.587 -17.233 1.00 0.00 H new ATOM 0 HD12 ILE A 92 29.625 8.698 -16.274 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.855 8.879 -16.277 1.00 0.00 H new ATOM 1383 N ILE A 93 32.018 9.916 -18.520 1.00 0.00 N ATOM 1384 CA ILE A 93 33.230 9.145 -18.095 1.00 0.00 C ATOM 1385 C ILE A 93 34.449 10.075 -18.214 1.00 0.00 C ATOM 1386 O ILE A 93 35.354 10.044 -17.386 1.00 0.00 O ATOM 1387 CB ILE A 93 33.489 7.895 -18.975 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.215 7.314 -19.635 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.127 6.812 -18.106 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.053 7.202 -18.643 1.00 0.00 C ATOM 0 H ILE A 93 31.665 9.698 -19.452 1.00 0.00 H new ATOM 0 HA ILE A 93 33.064 8.801 -17.074 1.00 0.00 H new ATOM 0 HB ILE A 93 34.144 8.213 -19.787 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.918 7.948 -20.470 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.437 6.329 -20.046 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.316 5.925 -18.710 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.068 7.180 -17.698 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.452 6.557 -17.289 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.180 6.790 -19.150 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.339 6.546 -17.821 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.812 8.190 -18.252 1.00 0.00 H new