USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 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 65 THR OG1 : rot 180:sc= 0.0225 USER MOD Set 1.2: A 85 TYR OH : rot 113:sc= -4.81! USER MOD Set 2.1: A 28 SER OG : rot 143:sc= 1.15 USER MOD Set 2.2: A 77 TYR OH : rot -130:sc= -0.968! USER MOD Set 3.1: A 12 TYR OH : rot -174:sc= -1.61! USER MOD Set 3.2: A 53 GLN :FLIP amide:sc= -3.47! C(o=-8!,f=-5.1!) USER MOD Set 4.1: A 10 THR OG1 : rot 144:sc= -0.168! USER MOD Set 4.2: A 90 SER OG : rot 134:sc= -0.0605! USER MOD Single : A 8 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.1) USER MOD Single : A 9 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-3.1!) USER MOD Single : A 14 ASN : amide:sc= -0.628 K(o=-0.63,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -1.39 (180deg=-2.72!) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.0285 (180deg=-0.545) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -2.05 (180deg=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.193) USER MOD Single : A 30 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-3.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 47 SER OG : rot 13:sc= -0.533 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -127:sc= -0.296 (180deg=-2.33!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 150:sc= -0.0778 USER MOD Single : A 66 ASN : amide:sc= -0.0456 K(o=-0.046,f=-0.72) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.246 -3.074 -27.989 1.00 0.00 N ATOM 683 CA PRO A 7 30.799 -2.461 -26.725 1.00 0.00 C ATOM 684 C PRO A 7 31.343 -1.030 -26.603 1.00 0.00 C ATOM 685 O PRO A 7 32.456 -0.739 -27.039 1.00 0.00 O ATOM 686 CB PRO A 7 31.391 -3.372 -25.645 1.00 0.00 C ATOM 687 CG PRO A 7 32.583 -4.107 -26.299 1.00 0.00 C ATOM 688 CD PRO A 7 32.348 -4.056 -27.820 1.00 0.00 C ATOM 0 HA PRO A 7 29.715 -2.379 -26.649 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.719 -2.790 -24.783 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.647 -4.082 -25.285 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.526 -3.627 -26.036 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.642 -5.138 -25.950 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.246 -3.741 -28.351 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.072 -5.035 -28.213 1.00 0.00 H new ATOM 689 N ASN A 8 30.582 -0.125 -26.024 1.00 0.00 N ATOM 690 CA ASN A 8 31.066 1.278 -25.890 1.00 0.00 C ATOM 691 C ASN A 8 30.932 1.740 -24.434 1.00 0.00 C ATOM 692 O ASN A 8 31.929 1.914 -23.736 1.00 0.00 O ATOM 693 CB ASN A 8 30.236 2.190 -26.806 1.00 0.00 C ATOM 694 CG ASN A 8 31.158 2.899 -27.809 1.00 0.00 C ATOM 695 OD1 ASN A 8 32.301 3.216 -27.484 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.729 3.166 -29.018 1.00 0.00 N ATOM 0 H ASN A 8 29.653 -0.303 -25.643 1.00 0.00 H new ATOM 0 HA ASN A 8 32.115 1.329 -26.180 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.488 1.602 -27.338 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.697 2.927 -26.210 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.342 3.635 -29.685 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.782 2.905 -29.292 1.00 0.00 H new ATOM 697 N HIS A 9 29.724 1.942 -23.957 1.00 0.00 N ATOM 698 CA HIS A 9 29.530 2.407 -22.540 1.00 0.00 C ATOM 699 C HIS A 9 28.059 2.808 -22.337 1.00 0.00 C ATOM 700 O HIS A 9 27.444 2.480 -21.324 1.00 0.00 O ATOM 701 CB HIS A 9 30.409 3.645 -22.256 1.00 0.00 C ATOM 702 CG HIS A 9 31.159 3.459 -20.964 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.543 3.410 -20.914 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.732 3.317 -19.668 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.896 3.247 -19.626 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.830 3.183 -18.824 1.00 0.00 N ATOM 0 H HIS A 9 28.863 1.805 -24.487 1.00 0.00 H new ATOM 0 HA HIS A 9 29.808 1.597 -21.866 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.112 3.798 -23.075 1.00 0.00 H new ATOM 0 HB3 HIS A 9 29.786 4.538 -22.199 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.700 3.310 -19.351 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.917 3.176 -19.282 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.822 3.062 -17.811 1.00 0.00 H new ATOM 707 N THR A 10 27.492 3.531 -23.279 1.00 0.00 N ATOM 708 CA THR A 10 26.075 3.969 -23.131 1.00 0.00 C ATOM 709 C THR A 10 25.175 3.201 -24.112 1.00 0.00 C ATOM 710 O THR A 10 25.336 3.314 -25.323 1.00 0.00 O ATOM 711 CB THR A 10 25.994 5.471 -23.433 1.00 0.00 C ATOM 712 OG1 THR A 10 26.837 6.176 -22.533 1.00 0.00 O ATOM 713 CG2 THR A 10 24.555 5.967 -23.276 1.00 0.00 C ATOM 0 H THR A 10 27.952 3.832 -24.138 1.00 0.00 H new ATOM 0 HA THR A 10 25.735 3.767 -22.115 1.00 0.00 H new ATOM 0 HB THR A 10 26.318 5.645 -24.459 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.246 6.937 -22.996 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.512 7.034 -23.493 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.907 5.429 -23.969 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.219 5.791 -22.254 1.00 0.00 H new ATOM 714 N ILE A 11 24.212 2.446 -23.624 1.00 0.00 N ATOM 715 CA ILE A 11 23.306 1.716 -24.565 1.00 0.00 C ATOM 716 C ILE A 11 22.302 2.720 -25.158 1.00 0.00 C ATOM 717 O ILE A 11 22.237 3.873 -24.727 1.00 0.00 O ATOM 718 CB ILE A 11 22.559 0.588 -23.837 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.694 1.172 -22.708 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.577 -0.394 -23.247 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.290 0.566 -22.765 1.00 0.00 C ATOM 0 H ILE A 11 24.019 2.308 -22.632 1.00 0.00 H new ATOM 0 HA ILE A 11 23.898 1.265 -25.361 1.00 0.00 H new ATOM 0 HB ILE A 11 21.914 0.069 -24.545 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.152 0.962 -21.741 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.636 2.256 -22.805 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.051 -1.196 -22.729 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.183 -0.816 -24.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.222 0.131 -22.542 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.681 0.983 -21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.832 0.798 -23.727 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.355 -0.516 -22.646 1.00 0.00 H new ATOM 722 N TYR A 12 21.526 2.321 -26.142 1.00 0.00 N ATOM 723 CA TYR A 12 20.555 3.272 -26.762 1.00 0.00 C ATOM 724 C TYR A 12 19.200 2.573 -26.979 1.00 0.00 C ATOM 725 O TYR A 12 19.102 1.607 -27.734 1.00 0.00 O ATOM 726 CB TYR A 12 21.133 3.735 -28.109 1.00 0.00 C ATOM 727 CG TYR A 12 20.146 4.605 -28.857 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.208 4.017 -29.714 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.183 5.996 -28.708 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.307 4.820 -30.421 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.279 6.798 -29.414 1.00 0.00 C ATOM 732 CZ TYR A 12 18.342 6.210 -30.273 1.00 0.00 C ATOM 733 OH TYR A 12 17.452 7.002 -30.971 1.00 0.00 O ATOM 0 H TYR A 12 21.526 1.381 -26.538 1.00 0.00 H new ATOM 0 HA TYR A 12 20.396 4.129 -26.108 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.056 4.290 -27.940 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.389 2.867 -28.716 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.180 2.944 -29.829 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.908 6.450 -28.049 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.584 4.366 -31.082 1.00 0.00 H new ATOM 0 HE2 TYR A 12 19.304 7.871 -29.296 1.00 0.00 H new ATOM 0 HH TYR A 12 17.672 7.946 -30.828 1.00 0.00 H new ATOM 734 N ILE A 13 18.148 3.046 -26.341 1.00 0.00 N ATOM 735 CA ILE A 13 16.811 2.404 -26.531 1.00 0.00 C ATOM 736 C ILE A 13 16.093 3.086 -27.707 1.00 0.00 C ATOM 737 O ILE A 13 16.331 4.260 -27.992 1.00 0.00 O ATOM 738 CB ILE A 13 15.970 2.558 -25.258 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.744 1.994 -24.060 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.654 1.794 -25.423 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.514 2.883 -22.836 1.00 0.00 C ATOM 0 H ILE A 13 18.162 3.842 -25.703 1.00 0.00 H new ATOM 0 HA ILE A 13 16.943 1.343 -26.741 1.00 0.00 H new ATOM 0 HB ILE A 13 15.759 3.614 -25.087 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.417 0.976 -23.849 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.808 1.945 -24.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.055 1.902 -24.519 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.104 2.196 -26.274 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.865 0.738 -25.594 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.065 2.481 -21.986 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.863 3.893 -23.049 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.450 2.909 -22.600 1.00 0.00 H new ATOM 742 N ASN A 14 15.229 2.379 -28.406 1.00 0.00 N ATOM 743 CA ASN A 14 14.523 3.001 -29.566 1.00 0.00 C ATOM 744 C ASN A 14 13.062 2.523 -29.602 1.00 0.00 C ATOM 745 O ASN A 14 12.718 1.501 -29.011 1.00 0.00 O ATOM 746 CB ASN A 14 15.239 2.580 -30.853 1.00 0.00 C ATOM 747 CG ASN A 14 14.542 3.194 -32.073 1.00 0.00 C ATOM 748 OD1 ASN A 14 13.582 2.627 -32.591 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.968 4.330 -32.570 1.00 0.00 N ATOM 0 H ASN A 14 14.987 1.406 -28.221 1.00 0.00 H new ATOM 0 HA ASN A 14 14.534 4.087 -29.472 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.280 2.901 -30.820 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.243 1.493 -30.936 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.503 4.738 -33.381 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.764 4.806 -32.145 1.00 0.00 H new ATOM 750 N ASN A 15 12.186 3.238 -30.286 1.00 0.00 N ATOM 751 CA ASN A 15 10.752 2.819 -30.357 1.00 0.00 C ATOM 752 C ASN A 15 10.089 3.034 -28.987 1.00 0.00 C ATOM 753 O ASN A 15 9.420 2.145 -28.460 1.00 0.00 O ATOM 754 CB ASN A 15 10.652 1.339 -30.770 1.00 0.00 C ATOM 755 CG ASN A 15 9.868 1.219 -32.084 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.434 1.390 -33.162 1.00 0.00 O ATOM 757 ND2 ASN A 15 8.589 0.934 -32.060 1.00 0.00 N ATOM 0 H ASN A 15 12.410 4.093 -30.796 1.00 0.00 H new ATOM 0 HA ASN A 15 10.236 3.422 -31.104 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.650 0.917 -30.891 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.157 0.766 -29.986 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.068 0.855 -32.933 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.115 0.791 -31.168 1.00 0.00 H new ATOM 758 N LEU A 16 10.250 4.201 -28.397 1.00 0.00 N ATOM 759 CA LEU A 16 9.610 4.448 -27.066 1.00 0.00 C ATOM 760 C LEU A 16 8.149 4.877 -27.276 1.00 0.00 C ATOM 761 O LEU A 16 7.661 4.911 -28.405 1.00 0.00 O ATOM 762 CB LEU A 16 10.368 5.550 -26.313 1.00 0.00 C ATOM 763 CG LEU A 16 11.287 4.917 -25.266 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.643 4.597 -25.898 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.482 5.892 -24.104 1.00 0.00 C ATOM 0 H LEU A 16 10.789 4.980 -28.776 1.00 0.00 H new ATOM 0 HA LEU A 16 9.642 3.532 -26.477 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.954 6.146 -27.013 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.662 6.227 -25.831 1.00 0.00 H new ATOM 0 HG LEU A 16 10.835 3.996 -24.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.296 4.146 -25.150 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.504 3.901 -26.725 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.097 5.516 -26.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.137 5.442 -23.357 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.932 6.813 -24.474 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.516 6.117 -23.652 1.00 0.00 H new ATOM 766 N ASN A 17 7.434 5.197 -26.218 1.00 0.00 N ATOM 767 CA ASN A 17 6.006 5.608 -26.381 1.00 0.00 C ATOM 768 C ASN A 17 5.893 7.138 -26.338 1.00 0.00 C ATOM 769 O ASN A 17 6.687 7.813 -25.683 1.00 0.00 O ATOM 770 CB ASN A 17 5.170 5.006 -25.250 1.00 0.00 C ATOM 771 CG ASN A 17 3.714 4.862 -25.710 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.438 4.859 -26.908 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.756 4.740 -24.823 1.00 0.00 N ATOM 0 H ASN A 17 7.778 5.190 -25.258 1.00 0.00 H new ATOM 0 HA ASN A 17 5.638 5.248 -27.342 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.571 4.033 -24.966 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.222 5.642 -24.367 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.788 4.643 -25.128 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.979 4.742 -23.828 1.00 0.00 H new ATOM 774 N GLU A 18 4.920 7.704 -27.021 1.00 0.00 N ATOM 775 CA GLU A 18 4.765 9.188 -27.010 1.00 0.00 C ATOM 776 C GLU A 18 3.564 9.572 -26.127 1.00 0.00 C ATOM 777 O GLU A 18 2.596 10.168 -26.600 1.00 0.00 O ATOM 778 CB GLU A 18 4.531 9.684 -28.439 1.00 0.00 C ATOM 779 CG GLU A 18 5.793 9.455 -29.272 1.00 0.00 C ATOM 780 CD GLU A 18 5.724 10.301 -30.545 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.980 9.931 -31.439 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.417 11.303 -30.606 1.00 0.00 O ATOM 0 H GLU A 18 4.233 7.200 -27.581 1.00 0.00 H new ATOM 0 HA GLU A 18 5.669 9.647 -26.610 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.688 9.157 -28.885 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.276 10.744 -28.430 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.677 9.721 -28.693 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.886 8.400 -29.528 1.00 0.00 H new ATOM 783 N LYS A 19 3.602 9.246 -24.853 1.00 0.00 N ATOM 784 CA LYS A 19 2.462 9.601 -23.956 1.00 0.00 C ATOM 785 C LYS A 19 2.989 9.876 -22.539 1.00 0.00 C ATOM 786 O LYS A 19 2.819 10.969 -22.003 1.00 0.00 O ATOM 787 CB LYS A 19 1.464 8.442 -23.917 1.00 0.00 C ATOM 788 CG LYS A 19 1.000 8.120 -25.340 1.00 0.00 C ATOM 789 CD LYS A 19 -0.286 7.291 -25.283 1.00 0.00 C ATOM 790 CE LYS A 19 -1.008 7.377 -26.630 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.367 6.443 -27.598 1.00 0.00 N ATOM 0 H LYS A 19 4.372 8.752 -24.402 1.00 0.00 H new ATOM 0 HA LYS A 19 1.965 10.494 -24.336 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.927 7.564 -23.467 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.609 8.705 -23.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.826 9.042 -25.895 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.777 7.570 -25.871 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.052 6.252 -25.049 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.934 7.659 -24.487 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.061 7.124 -26.507 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.968 8.397 -27.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.857 6.501 -28.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.632 6.704 -27.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.427 5.471 -27.234 1.00 0.00 H new ATOM 792 N ILE A 20 3.634 8.910 -21.924 1.00 0.00 N ATOM 793 CA ILE A 20 4.181 9.131 -20.540 1.00 0.00 C ATOM 794 C ILE A 20 5.084 10.369 -20.559 1.00 0.00 C ATOM 795 O ILE A 20 5.609 10.749 -21.605 1.00 0.00 O ATOM 796 CB ILE A 20 4.995 7.907 -20.077 1.00 0.00 C ATOM 797 CG1 ILE A 20 4.084 6.668 -20.042 1.00 0.00 C ATOM 798 CG2 ILE A 20 5.565 8.155 -18.675 1.00 0.00 C ATOM 799 CD1 ILE A 20 4.371 5.775 -21.253 1.00 0.00 C ATOM 0 H ILE A 20 3.805 7.984 -22.315 1.00 0.00 H new ATOM 0 HA ILE A 20 3.353 9.277 -19.846 1.00 0.00 H new ATOM 0 HB ILE A 20 5.816 7.742 -20.775 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.250 6.110 -19.120 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.038 6.975 -20.045 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.139 7.285 -18.356 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.215 9.030 -18.696 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.747 8.327 -17.975 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.722 4.900 -21.221 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.182 6.334 -22.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.413 5.455 -21.231 1.00 0.00 H new ATOM 800 N LYS A 21 5.263 11.019 -19.433 1.00 0.00 N ATOM 801 CA LYS A 21 6.119 12.239 -19.424 1.00 0.00 C ATOM 802 C LYS A 21 7.601 11.848 -19.288 1.00 0.00 C ATOM 803 O LYS A 21 7.956 10.678 -19.392 1.00 0.00 O ATOM 804 CB LYS A 21 5.711 13.158 -18.261 1.00 0.00 C ATOM 805 CG LYS A 21 5.511 14.588 -18.773 1.00 0.00 C ATOM 806 CD LYS A 21 4.149 14.698 -19.460 1.00 0.00 C ATOM 807 CE LYS A 21 3.088 15.090 -18.431 1.00 0.00 C ATOM 808 NZ LYS A 21 2.760 13.910 -17.580 1.00 0.00 N ATOM 0 H LYS A 21 4.858 10.759 -18.534 1.00 0.00 H new ATOM 0 HA LYS A 21 5.981 12.772 -20.365 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.791 12.794 -17.804 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.479 13.143 -17.488 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.570 15.294 -17.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.305 14.850 -19.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.191 15.441 -20.256 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.886 13.748 -19.925 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.453 15.909 -17.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.191 15.448 -18.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.794 14.009 -17.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.824 13.042 -18.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.433 13.855 -16.789 1.00 0.00 H new ATOM 809 N LYS A 22 8.479 12.807 -19.069 1.00 0.00 N ATOM 810 CA LYS A 22 9.936 12.475 -18.943 1.00 0.00 C ATOM 811 C LYS A 22 10.256 12.009 -17.516 1.00 0.00 C ATOM 812 O LYS A 22 11.080 11.116 -17.319 1.00 0.00 O ATOM 813 CB LYS A 22 10.780 13.713 -19.251 1.00 0.00 C ATOM 814 CG LYS A 22 10.449 14.224 -20.656 1.00 0.00 C ATOM 815 CD LYS A 22 11.661 14.961 -21.229 1.00 0.00 C ATOM 816 CE LYS A 22 11.719 16.376 -20.651 1.00 0.00 C ATOM 817 NZ LYS A 22 12.559 16.376 -19.420 1.00 0.00 N ATOM 0 H LYS A 22 8.249 13.796 -18.973 1.00 0.00 H new ATOM 0 HA LYS A 22 10.168 11.678 -19.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.584 14.492 -18.514 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.840 13.469 -19.182 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.178 13.390 -21.303 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.588 14.892 -20.618 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.576 14.420 -20.987 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.593 15.003 -22.316 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.134 17.064 -21.387 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.714 16.727 -20.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.998 16.725 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.883 15.408 -19.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.383 16.995 -19.562 1.00 0.00 H new ATOM 818 N ASP A 23 9.630 12.583 -16.513 1.00 0.00 N ATOM 819 CA ASP A 23 9.919 12.151 -15.114 1.00 0.00 C ATOM 820 C ASP A 23 9.363 10.739 -14.912 1.00 0.00 C ATOM 821 O ASP A 23 9.982 9.911 -14.242 1.00 0.00 O ATOM 822 CB ASP A 23 9.268 13.112 -14.107 1.00 0.00 C ATOM 823 CG ASP A 23 7.755 13.144 -14.328 1.00 0.00 C ATOM 824 OD1 ASP A 23 7.076 12.309 -13.754 1.00 0.00 O ATOM 825 OD2 ASP A 23 7.301 14.001 -15.068 1.00 0.00 O ATOM 0 H ASP A 23 8.937 13.326 -16.606 1.00 0.00 H new ATOM 0 HA ASP A 23 10.996 12.159 -14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.490 12.792 -13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.683 14.113 -14.224 1.00 0.00 H new ATOM 826 N GLU A 24 8.214 10.434 -15.480 1.00 0.00 N ATOM 827 CA GLU A 24 7.659 9.062 -15.304 1.00 0.00 C ATOM 828 C GLU A 24 8.561 8.063 -16.031 1.00 0.00 C ATOM 829 O GLU A 24 8.910 7.016 -15.488 1.00 0.00 O ATOM 830 CB GLU A 24 6.235 8.973 -15.872 1.00 0.00 C ATOM 831 CG GLU A 24 5.217 9.339 -14.787 1.00 0.00 C ATOM 832 CD GLU A 24 4.720 10.769 -15.009 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.335 11.076 -16.126 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.731 11.533 -14.058 1.00 0.00 O ATOM 0 H GLU A 24 7.651 11.068 -16.047 1.00 0.00 H new ATOM 0 HA GLU A 24 7.621 8.830 -14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.131 9.646 -16.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.043 7.965 -16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.378 8.644 -14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.674 9.251 -13.801 1.00 0.00 H new ATOM 835 N LEU A 25 8.956 8.365 -17.246 1.00 0.00 N ATOM 836 CA LEU A 25 9.846 7.421 -17.993 1.00 0.00 C ATOM 837 C LEU A 25 11.224 7.302 -17.314 1.00 0.00 C ATOM 838 O LEU A 25 11.955 6.351 -17.575 1.00 0.00 O ATOM 839 CB LEU A 25 10.030 7.900 -19.435 1.00 0.00 C ATOM 840 CG LEU A 25 8.915 7.305 -20.307 1.00 0.00 C ATOM 841 CD1 LEU A 25 8.237 8.416 -21.108 1.00 0.00 C ATOM 842 CD2 LEU A 25 9.511 6.271 -21.264 1.00 0.00 C ATOM 0 H LEU A 25 8.703 9.216 -17.748 1.00 0.00 H new ATOM 0 HA LEU A 25 9.370 6.440 -17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.000 8.989 -19.477 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.006 7.594 -19.812 1.00 0.00 H new ATOM 0 HG LEU A 25 8.176 6.823 -19.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.447 7.989 -21.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.808 9.148 -20.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.972 8.905 -21.747 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.719 5.849 -21.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.253 6.751 -21.902 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.986 5.475 -20.690 1.00 0.00 H new ATOM 843 N LYS A 26 11.608 8.225 -16.450 1.00 0.00 N ATOM 844 CA LYS A 26 12.942 8.099 -15.785 1.00 0.00 C ATOM 845 C LYS A 26 12.863 7.051 -14.663 1.00 0.00 C ATOM 846 O LYS A 26 13.835 6.345 -14.403 1.00 0.00 O ATOM 847 CB LYS A 26 13.374 9.448 -15.195 1.00 0.00 C ATOM 848 CG LYS A 26 14.898 9.567 -15.252 1.00 0.00 C ATOM 849 CD LYS A 26 15.339 10.834 -14.515 1.00 0.00 C ATOM 850 CE LYS A 26 16.580 11.418 -15.194 1.00 0.00 C ATOM 851 NZ LYS A 26 17.803 10.940 -14.489 1.00 0.00 N ATOM 0 H LYS A 26 11.061 9.044 -16.185 1.00 0.00 H new ATOM 0 HA LYS A 26 13.676 7.787 -16.528 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.914 10.264 -15.752 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.031 9.532 -14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.359 8.690 -14.798 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.232 9.602 -16.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.532 11.567 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.557 10.603 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.610 11.117 -16.241 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.539 12.507 -15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.618 10.992 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.980 11.538 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.665 9.955 -14.184 1.00 0.00 H new ATOM 852 N LYS A 27 11.738 6.923 -13.988 1.00 0.00 N ATOM 853 CA LYS A 27 11.646 5.900 -12.896 1.00 0.00 C ATOM 854 C LYS A 27 11.616 4.475 -13.492 1.00 0.00 C ATOM 855 O LYS A 27 12.031 3.520 -12.836 1.00 0.00 O ATOM 856 CB LYS A 27 10.373 6.123 -12.066 1.00 0.00 C ATOM 857 CG LYS A 27 10.547 7.366 -11.190 1.00 0.00 C ATOM 858 CD LYS A 27 11.433 7.025 -9.989 1.00 0.00 C ATOM 859 CE LYS A 27 11.285 8.111 -8.922 1.00 0.00 C ATOM 860 NZ LYS A 27 11.741 9.418 -9.475 1.00 0.00 N ATOM 0 H LYS A 27 10.894 7.474 -14.145 1.00 0.00 H new ATOM 0 HA LYS A 27 12.523 6.006 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.513 6.247 -12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.175 5.251 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.997 8.172 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.575 7.722 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.150 6.056 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.474 6.947 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.245 8.182 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.872 7.852 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.883 10.094 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.637 9.285 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.022 9.789 -10.128 1.00 0.00 H new ATOM 861 N SER A 28 11.128 4.298 -14.705 1.00 0.00 N ATOM 862 CA SER A 28 11.077 2.919 -15.292 1.00 0.00 C ATOM 863 C SER A 28 12.443 2.532 -15.887 1.00 0.00 C ATOM 864 O SER A 28 12.894 1.398 -15.728 1.00 0.00 O ATOM 865 CB SER A 28 10.015 2.859 -16.396 1.00 0.00 C ATOM 866 OG SER A 28 8.909 3.672 -16.028 1.00 0.00 O ATOM 0 H SER A 28 10.768 5.041 -15.304 1.00 0.00 H new ATOM 0 HA SER A 28 10.823 2.219 -14.496 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.436 3.203 -17.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.690 1.830 -16.548 1.00 0.00 H new ATOM 0 HG SER A 28 8.554 4.120 -16.824 1.00 0.00 H new ATOM 867 N LEU A 29 13.111 3.432 -16.575 1.00 0.00 N ATOM 868 CA LEU A 29 14.438 3.074 -17.180 1.00 0.00 C ATOM 869 C LEU A 29 15.483 2.890 -16.072 1.00 0.00 C ATOM 870 O LEU A 29 16.083 1.827 -15.942 1.00 0.00 O ATOM 871 CB LEU A 29 14.903 4.183 -18.133 1.00 0.00 C ATOM 872 CG LEU A 29 13.976 4.237 -19.347 1.00 0.00 C ATOM 873 CD1 LEU A 29 13.879 5.677 -19.852 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.538 3.345 -20.456 1.00 0.00 C ATOM 0 H LEU A 29 12.799 4.389 -16.743 1.00 0.00 H new ATOM 0 HA LEU A 29 14.327 2.144 -17.737 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.901 5.144 -17.618 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.928 3.995 -18.453 1.00 0.00 H new ATOM 0 HG LEU A 29 12.984 3.885 -19.063 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.218 5.715 -20.718 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.480 6.313 -19.062 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.870 6.030 -20.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.878 3.382 -21.323 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.529 3.698 -20.740 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.607 2.318 -20.097 1.00 0.00 H new ATOM 875 N HIS A 30 15.718 3.901 -15.275 1.00 0.00 N ATOM 876 CA HIS A 30 16.736 3.773 -14.177 1.00 0.00 C ATOM 877 C HIS A 30 16.459 2.530 -13.307 1.00 0.00 C ATOM 878 O HIS A 30 17.381 1.977 -12.708 1.00 0.00 O ATOM 879 CB HIS A 30 16.706 5.022 -13.283 1.00 0.00 C ATOM 880 CG HIS A 30 18.030 5.177 -12.589 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.185 4.947 -11.231 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.271 5.545 -13.050 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.476 5.176 -10.925 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.182 5.544 -11.998 1.00 0.00 N ATOM 0 H HIS A 30 15.254 4.807 -15.333 1.00 0.00 H new ATOM 0 HA HIS A 30 17.717 3.670 -14.642 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.493 5.906 -13.883 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.906 4.936 -12.547 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.504 5.797 -14.074 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.890 5.075 -9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.175 5.775 -12.038 1.00 0.00 H new ATOM 885 N ALA A 31 15.224 2.080 -13.202 1.00 0.00 N ATOM 886 CA ALA A 31 14.943 0.883 -12.344 1.00 0.00 C ATOM 887 C ALA A 31 15.386 -0.403 -13.059 1.00 0.00 C ATOM 888 O ALA A 31 16.328 -1.062 -12.630 1.00 0.00 O ATOM 889 CB ALA A 31 13.443 0.795 -12.034 1.00 0.00 C ATOM 0 H ALA A 31 14.412 2.485 -13.667 1.00 0.00 H new ATOM 0 HA ALA A 31 15.502 0.990 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.251 -0.078 -11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.127 1.695 -11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.884 0.706 -12.965 1.00 0.00 H new ATOM 890 N ILE A 32 14.712 -0.796 -14.122 1.00 0.00 N ATOM 891 CA ILE A 32 15.083 -2.056 -14.830 1.00 0.00 C ATOM 892 C ILE A 32 16.605 -2.141 -15.080 1.00 0.00 C ATOM 893 O ILE A 32 17.255 -3.097 -14.662 1.00 0.00 O ATOM 894 CB ILE A 32 14.340 -2.193 -16.180 1.00 0.00 C ATOM 895 CG1 ILE A 32 13.990 -0.838 -16.837 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.052 -2.992 -15.976 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.206 -0.930 -18.350 1.00 0.00 C ATOM 0 H ILE A 32 13.921 -0.293 -14.524 1.00 0.00 H new ATOM 0 HA ILE A 32 14.783 -2.875 -14.176 1.00 0.00 H new ATOM 0 HB ILE A 32 15.024 -2.707 -16.855 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.954 -0.575 -16.623 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.613 -0.048 -16.418 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.529 -3.088 -16.927 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.295 -3.983 -15.594 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.412 -2.475 -15.261 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.959 0.026 -18.812 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.249 -1.173 -18.555 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.564 -1.709 -18.762 1.00 0.00 H new ATOM 898 N PHE A 33 17.182 -1.184 -15.764 1.00 0.00 N ATOM 899 CA PHE A 33 18.657 -1.244 -16.046 1.00 0.00 C ATOM 900 C PHE A 33 19.460 -1.261 -14.735 1.00 0.00 C ATOM 901 O PHE A 33 20.483 -1.937 -14.639 1.00 0.00 O ATOM 902 CB PHE A 33 19.082 -0.031 -16.886 1.00 0.00 C ATOM 903 CG PHE A 33 18.787 -0.306 -18.340 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.740 -0.946 -19.138 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.555 0.073 -18.887 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.464 -1.207 -20.486 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.278 -0.186 -20.234 1.00 0.00 C ATOM 908 CZ PHE A 33 18.233 -0.826 -21.034 1.00 0.00 C ATOM 0 H PHE A 33 16.702 -0.366 -16.139 1.00 0.00 H new ATOM 0 HA PHE A 33 18.861 -2.161 -16.598 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.547 0.860 -16.556 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.145 0.166 -16.749 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.689 -1.239 -18.715 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.818 0.565 -18.269 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.200 -1.702 -21.102 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.328 0.107 -20.656 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.020 -1.026 -22.074 1.00 0.00 H new ATOM 909 N SER A 34 19.039 -0.530 -13.726 1.00 0.00 N ATOM 910 CA SER A 34 19.816 -0.522 -12.438 1.00 0.00 C ATOM 911 C SER A 34 19.995 -1.959 -11.915 1.00 0.00 C ATOM 912 O SER A 34 21.033 -2.292 -11.347 1.00 0.00 O ATOM 913 CB SER A 34 19.082 0.311 -11.379 1.00 0.00 C ATOM 914 OG SER A 34 19.585 -0.020 -10.091 1.00 0.00 O ATOM 0 H SER A 34 18.203 0.054 -13.736 1.00 0.00 H new ATOM 0 HA SER A 34 20.794 -0.081 -12.631 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.222 1.374 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.010 0.117 -11.425 1.00 0.00 H new ATOM 0 HG SER A 34 19.120 0.511 -9.412 1.00 0.00 H new ATOM 915 N ARG A 35 19.010 -2.821 -12.079 1.00 0.00 N ATOM 916 CA ARG A 35 19.150 -4.229 -11.569 1.00 0.00 C ATOM 917 C ARG A 35 20.460 -4.849 -12.085 1.00 0.00 C ATOM 918 O ARG A 35 21.202 -5.470 -11.326 1.00 0.00 O ATOM 919 CB ARG A 35 17.971 -5.087 -12.046 1.00 0.00 C ATOM 920 CG ARG A 35 16.748 -4.809 -11.170 1.00 0.00 C ATOM 921 CD ARG A 35 15.479 -4.891 -12.022 1.00 0.00 C ATOM 922 NE ARG A 35 14.339 -5.339 -11.175 1.00 0.00 N ATOM 923 CZ ARG A 35 13.253 -4.617 -11.106 1.00 0.00 C ATOM 924 NH1 ARG A 35 12.628 -4.276 -12.199 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.794 -4.238 -9.945 1.00 0.00 N ATOM 0 H ARG A 35 18.124 -2.612 -12.539 1.00 0.00 H new ATOM 0 HA ARG A 35 19.161 -4.200 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.743 -4.863 -13.088 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.234 -6.144 -11.997 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.699 -5.532 -10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.830 -3.822 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.259 -3.918 -12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.627 -5.587 -12.848 1.00 0.00 H new ATOM 0 HE ARG A 35 14.406 -6.210 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.988 -4.573 -13.106 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.780 -3.712 -12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.283 -4.506 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.946 -3.674 -9.891 1.00 0.00 H new ATOM 926 N PHE A 36 20.762 -4.703 -13.359 1.00 0.00 N ATOM 927 CA PHE A 36 22.031 -5.300 -13.900 1.00 0.00 C ATOM 928 C PHE A 36 23.226 -4.842 -13.045 1.00 0.00 C ATOM 929 O PHE A 36 23.960 -5.664 -12.499 1.00 0.00 O ATOM 930 CB PHE A 36 22.253 -4.856 -15.351 1.00 0.00 C ATOM 931 CG PHE A 36 21.248 -5.541 -16.247 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.543 -6.792 -16.801 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.022 -4.924 -16.522 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.611 -7.427 -17.631 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.090 -5.558 -17.353 1.00 0.00 C ATOM 936 CZ PHE A 36 19.385 -6.809 -17.907 1.00 0.00 C ATOM 0 H PHE A 36 20.191 -4.202 -14.040 1.00 0.00 H new ATOM 0 HA PHE A 36 21.946 -6.386 -13.866 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.149 -3.774 -15.431 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.266 -5.104 -15.667 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.489 -7.267 -16.588 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.795 -3.959 -16.093 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.838 -8.393 -18.058 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.144 -5.082 -17.566 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.666 -7.298 -18.548 1.00 0.00 H new ATOM 937 N GLY A 37 23.440 -3.551 -12.917 1.00 0.00 N ATOM 938 CA GLY A 37 24.589 -3.064 -12.095 1.00 0.00 C ATOM 939 C GLY A 37 24.257 -1.686 -11.503 1.00 0.00 C ATOM 940 O GLY A 37 23.287 -1.538 -10.762 1.00 0.00 O ATOM 0 H GLY A 37 22.871 -2.821 -13.345 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.802 -3.772 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.487 -2.999 -12.710 1.00 0.00 H new ATOM 941 N GLN A 38 25.037 -0.672 -11.812 1.00 0.00 N ATOM 942 CA GLN A 38 24.747 0.683 -11.261 1.00 0.00 C ATOM 943 C GLN A 38 24.673 1.694 -12.414 1.00 0.00 C ATOM 944 O GLN A 38 25.559 1.741 -13.264 1.00 0.00 O ATOM 945 CB GLN A 38 25.862 1.092 -10.296 1.00 0.00 C ATOM 946 CG GLN A 38 25.502 2.422 -9.632 1.00 0.00 C ATOM 947 CD GLN A 38 26.567 2.781 -8.590 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.835 1.999 -7.681 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.198 3.927 -8.668 1.00 0.00 N ATOM 0 H GLN A 38 25.855 -0.729 -12.418 1.00 0.00 H new ATOM 0 HA GLN A 38 23.796 0.664 -10.729 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.002 0.321 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.806 1.186 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.434 3.209 -10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.524 2.350 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.979 4.580 -9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.908 4.166 -7.976 1.00 0.00 H new ATOM 950 N ILE A 39 23.638 2.505 -12.468 1.00 0.00 N ATOM 951 CA ILE A 39 23.533 3.501 -13.577 1.00 0.00 C ATOM 952 C ILE A 39 24.101 4.849 -13.112 1.00 0.00 C ATOM 953 O ILE A 39 23.835 5.294 -11.996 1.00 0.00 O ATOM 954 CB ILE A 39 22.064 3.676 -13.977 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.470 2.316 -14.349 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.970 4.617 -15.180 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.951 2.442 -14.480 1.00 0.00 C ATOM 0 H ILE A 39 22.870 2.517 -11.797 1.00 0.00 H new ATOM 0 HA ILE A 39 24.101 3.144 -14.436 1.00 0.00 H new ATOM 0 HB ILE A 39 21.509 4.099 -13.140 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.899 1.964 -15.287 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.720 1.577 -13.588 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.925 4.741 -15.464 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.392 5.587 -14.917 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.526 4.194 -16.017 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.527 1.473 -14.745 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.530 2.775 -13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.712 3.168 -15.257 1.00 0.00 H new ATOM 958 N LEU A 40 24.878 5.515 -13.941 1.00 0.00 N ATOM 959 CA LEU A 40 25.450 6.831 -13.530 1.00 0.00 C ATOM 960 C LEU A 40 24.493 7.956 -13.947 1.00 0.00 C ATOM 961 O LEU A 40 24.276 8.907 -13.197 1.00 0.00 O ATOM 962 CB LEU A 40 26.815 7.042 -14.202 1.00 0.00 C ATOM 963 CG LEU A 40 27.936 6.841 -13.178 1.00 0.00 C ATOM 964 CD1 LEU A 40 27.979 5.374 -12.750 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.276 7.228 -13.809 1.00 0.00 C ATOM 0 H LEU A 40 25.136 5.202 -14.877 1.00 0.00 H new ATOM 0 HA LEU A 40 25.580 6.843 -12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.936 6.342 -15.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.871 8.045 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 40 27.749 7.468 -12.306 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.777 5.231 -12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.024 5.098 -12.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.166 4.746 -13.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.075 7.086 -13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.462 6.601 -14.681 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.246 8.274 -14.115 1.00 0.00 H new ATOM 966 N ASP A 41 23.916 7.876 -15.125 1.00 0.00 N ATOM 967 CA ASP A 41 22.979 8.955 -15.567 1.00 0.00 C ATOM 968 C ASP A 41 22.085 8.450 -16.714 1.00 0.00 C ATOM 969 O ASP A 41 22.413 7.474 -17.388 1.00 0.00 O ATOM 970 CB ASP A 41 23.787 10.160 -16.050 1.00 0.00 C ATOM 971 CG ASP A 41 22.932 11.425 -15.947 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.721 11.883 -14.835 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.504 11.912 -16.979 1.00 0.00 O ATOM 0 H ASP A 41 24.053 7.117 -15.792 1.00 0.00 H new ATOM 0 HA ASP A 41 22.348 9.242 -14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.690 10.269 -15.450 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.106 10.007 -17.081 1.00 0.00 H new ATOM 974 N ILE A 42 20.964 9.097 -16.955 1.00 0.00 N ATOM 975 CA ILE A 42 20.065 8.654 -18.058 1.00 0.00 C ATOM 976 C ILE A 42 19.597 9.891 -18.844 1.00 0.00 C ATOM 977 O ILE A 42 19.620 11.006 -18.325 1.00 0.00 O ATOM 978 CB ILE A 42 18.859 7.915 -17.460 1.00 0.00 C ATOM 979 CG1 ILE A 42 17.931 7.445 -18.583 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.090 8.849 -16.523 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.020 6.332 -18.061 1.00 0.00 C ATOM 0 H ILE A 42 20.639 9.911 -16.433 1.00 0.00 H new ATOM 0 HA ILE A 42 20.594 7.979 -18.731 1.00 0.00 H new ATOM 0 HB ILE A 42 19.215 7.052 -16.898 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.331 8.279 -18.947 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.518 7.083 -19.427 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.236 8.319 -16.102 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.747 9.177 -15.717 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.739 9.717 -17.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 16.359 5.998 -18.861 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.628 5.495 -17.719 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.423 6.710 -17.231 1.00 0.00 H new ATOM 982 N LEU A 43 19.178 9.730 -20.081 1.00 0.00 N ATOM 983 CA LEU A 43 18.726 10.915 -20.868 1.00 0.00 C ATOM 984 C LEU A 43 17.368 10.621 -21.525 1.00 0.00 C ATOM 985 O LEU A 43 17.211 9.630 -22.236 1.00 0.00 O ATOM 986 CB LEU A 43 19.756 11.231 -21.954 1.00 0.00 C ATOM 987 CG LEU A 43 21.077 11.644 -21.302 1.00 0.00 C ATOM 988 CD1 LEU A 43 21.994 10.424 -21.185 1.00 0.00 C ATOM 989 CD2 LEU A 43 21.759 12.710 -22.162 1.00 0.00 C ATOM 0 H LEU A 43 19.132 8.837 -20.571 1.00 0.00 H new ATOM 0 HA LEU A 43 18.624 11.769 -20.199 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.909 10.359 -22.589 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.389 12.032 -22.596 1.00 0.00 H new ATOM 0 HG LEU A 43 20.879 12.047 -20.309 1.00 0.00 H new ATOM 0 HD11 LEU A 43 22.935 10.719 -20.720 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.510 9.663 -20.573 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.191 10.020 -22.178 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.700 13.005 -21.698 1.00 0.00 H new ATOM 0 HD22 LEU A 43 21.955 12.306 -23.155 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.108 13.580 -22.247 1.00 0.00 H new ATOM 990 N VAL A 44 16.384 11.469 -21.306 1.00 0.00 N ATOM 991 CA VAL A 44 15.041 11.240 -21.923 1.00 0.00 C ATOM 992 C VAL A 44 14.622 12.458 -22.774 1.00 0.00 C ATOM 993 O VAL A 44 13.437 12.676 -23.020 1.00 0.00 O ATOM 994 CB VAL A 44 14.020 11.068 -20.812 1.00 0.00 C ATOM 995 CG1 VAL A 44 12.667 10.655 -21.405 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.489 10.003 -19.807 1.00 0.00 C ATOM 0 H VAL A 44 16.457 12.306 -20.728 1.00 0.00 H new ATOM 0 HA VAL A 44 15.090 10.354 -22.557 1.00 0.00 H new ATOM 0 HB VAL A 44 13.913 12.020 -20.291 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.940 10.533 -20.602 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.321 11.425 -22.094 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.777 9.712 -21.941 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.744 9.894 -19.018 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.617 9.050 -20.320 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.439 10.309 -19.369 1.00 0.00 H new ATOM 997 N SER A 45 15.558 13.260 -23.219 1.00 0.00 N ATOM 998 CA SER A 45 15.206 14.470 -24.047 1.00 0.00 C ATOM 999 C SER A 45 14.212 14.094 -25.157 1.00 0.00 C ATOM 1000 O SER A 45 14.283 13.004 -25.722 1.00 0.00 O ATOM 1001 CB SER A 45 16.471 15.051 -24.692 1.00 0.00 C ATOM 1002 OG SER A 45 17.528 15.045 -23.742 1.00 0.00 O ATOM 0 H SER A 45 16.555 13.134 -23.047 1.00 0.00 H new ATOM 0 HA SER A 45 14.751 15.210 -23.389 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.750 14.464 -25.567 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.283 16.068 -25.037 1.00 0.00 H new ATOM 0 HG SER A 45 18.338 15.414 -24.152 1.00 0.00 H new ATOM 1003 N ARG A 46 13.286 14.973 -25.482 1.00 0.00 N ATOM 1004 CA ARG A 46 12.304 14.648 -26.554 1.00 0.00 C ATOM 1005 C ARG A 46 12.767 15.281 -27.877 1.00 0.00 C ATOM 1006 O ARG A 46 13.274 14.583 -28.750 1.00 0.00 O ATOM 1007 CB ARG A 46 10.919 15.180 -26.168 1.00 0.00 C ATOM 1008 CG ARG A 46 10.152 14.101 -25.403 1.00 0.00 C ATOM 1009 CD ARG A 46 8.704 14.549 -25.196 1.00 0.00 C ATOM 1010 NE ARG A 46 8.574 15.213 -23.869 1.00 0.00 N ATOM 1011 CZ ARG A 46 7.901 16.325 -23.758 1.00 0.00 C ATOM 1012 NH1 ARG A 46 6.603 16.318 -23.901 1.00 0.00 N ATOM 1013 NH2 ARG A 46 8.523 17.443 -23.503 1.00 0.00 N ATOM 0 H ARG A 46 13.174 15.891 -25.051 1.00 0.00 H new ATOM 0 HA ARG A 46 12.241 13.567 -26.677 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.020 16.074 -25.553 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.367 15.469 -27.062 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.177 13.162 -25.956 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.627 13.917 -24.440 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.408 15.236 -25.989 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.035 13.690 -25.252 1.00 0.00 H new ATOM 0 HE ARG A 46 9.012 14.798 -23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.116 15.444 -24.099 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.076 17.187 -23.814 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.537 17.448 -23.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.996 18.312 -23.416 1.00 0.00 H new ATOM 1014 N SER A 47 12.620 16.585 -28.048 1.00 0.00 N ATOM 1015 CA SER A 47 13.069 17.238 -29.324 1.00 0.00 C ATOM 1016 C SER A 47 12.552 16.440 -30.541 1.00 0.00 C ATOM 1017 O SER A 47 11.790 15.485 -30.385 1.00 0.00 O ATOM 1018 CB SER A 47 14.601 17.289 -29.345 1.00 0.00 C ATOM 1019 OG SER A 47 15.120 15.965 -29.268 1.00 0.00 O ATOM 0 H SER A 47 12.210 17.217 -27.360 1.00 0.00 H new ATOM 0 HA SER A 47 12.666 18.249 -29.377 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.947 17.774 -30.257 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.967 17.884 -28.509 1.00 0.00 H new ATOM 0 HG SER A 47 14.397 15.321 -29.421 1.00 0.00 H new ATOM 1020 N LEU A 48 12.938 16.797 -31.749 1.00 0.00 N ATOM 1021 CA LEU A 48 12.450 16.019 -32.933 1.00 0.00 C ATOM 1022 C LEU A 48 13.313 14.757 -33.112 1.00 0.00 C ATOM 1023 O LEU A 48 12.807 13.701 -33.489 1.00 0.00 O ATOM 1024 CB LEU A 48 12.528 16.867 -34.206 1.00 0.00 C ATOM 1025 CG LEU A 48 11.622 16.265 -35.284 1.00 0.00 C ATOM 1026 CD1 LEU A 48 10.945 17.392 -36.069 1.00 0.00 C ATOM 1027 CD2 LEU A 48 12.460 15.410 -36.240 1.00 0.00 C ATOM 0 H LEU A 48 13.558 17.579 -31.961 1.00 0.00 H new ATOM 0 HA LEU A 48 11.411 15.739 -32.759 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.223 17.891 -33.991 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.557 16.909 -34.564 1.00 0.00 H new ATOM 0 HG LEU A 48 10.862 15.642 -34.812 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.300 16.964 -36.837 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.347 18.000 -35.390 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.705 18.015 -36.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.814 14.982 -37.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.221 16.032 -36.712 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.942 14.607 -35.682 1.00 0.00 H new ATOM 1028 N LYS A 49 14.606 14.838 -32.861 1.00 0.00 N ATOM 1029 CA LYS A 49 15.473 13.627 -33.035 1.00 0.00 C ATOM 1030 C LYS A 49 15.174 12.601 -31.932 1.00 0.00 C ATOM 1031 O LYS A 49 15.105 11.403 -32.198 1.00 0.00 O ATOM 1032 CB LYS A 49 16.956 14.016 -32.970 1.00 0.00 C ATOM 1033 CG LYS A 49 17.283 14.980 -34.111 1.00 0.00 C ATOM 1034 CD LYS A 49 18.802 15.123 -34.238 1.00 0.00 C ATOM 1035 CE LYS A 49 19.303 16.150 -33.221 1.00 0.00 C ATOM 1036 NZ LYS A 49 20.791 16.097 -33.154 1.00 0.00 N ATOM 0 H LYS A 49 15.089 15.680 -32.548 1.00 0.00 H new ATOM 0 HA LYS A 49 15.258 13.190 -34.010 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.178 14.483 -32.011 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.580 13.125 -33.043 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.862 14.610 -35.046 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.830 15.953 -33.921 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.284 14.161 -34.067 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.066 15.437 -35.248 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.976 17.150 -33.507 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.876 15.944 -32.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.132 16.795 -32.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.092 15.145 -32.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.189 16.314 -34.090 1.00 0.00 H new ATOM 1037 N MET A 50 14.998 13.032 -30.698 1.00 0.00 N ATOM 1038 CA MET A 50 14.710 12.048 -29.609 1.00 0.00 C ATOM 1039 C MET A 50 13.190 11.925 -29.421 1.00 0.00 C ATOM 1040 O MET A 50 12.667 12.170 -28.335 1.00 0.00 O ATOM 1041 CB MET A 50 15.352 12.499 -28.285 1.00 0.00 C ATOM 1042 CG MET A 50 16.787 12.968 -28.521 1.00 0.00 C ATOM 1043 SD MET A 50 17.746 11.632 -29.269 1.00 0.00 S ATOM 1044 CE MET A 50 18.817 12.686 -30.271 1.00 0.00 C ATOM 0 H MET A 50 15.041 14.008 -30.406 1.00 0.00 H new ATOM 0 HA MET A 50 15.131 11.083 -29.891 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.766 13.307 -27.846 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.345 11.676 -27.571 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.792 13.842 -29.173 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.241 13.271 -27.578 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.783 12.357 -31.310 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.475 13.719 -30.206 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.841 12.619 -29.903 1.00 0.00 H new ATOM 1045 N ARG A 51 12.465 11.540 -30.451 1.00 0.00 N ATOM 1046 CA ARG A 51 10.987 11.399 -30.305 1.00 0.00 C ATOM 1047 C ARG A 51 10.640 9.911 -30.119 1.00 0.00 C ATOM 1048 O ARG A 51 9.732 9.389 -30.762 1.00 0.00 O ATOM 1049 CB ARG A 51 10.295 11.935 -31.560 1.00 0.00 C ATOM 1050 CG ARG A 51 9.043 12.721 -31.162 1.00 0.00 C ATOM 1051 CD ARG A 51 9.417 14.183 -30.911 1.00 0.00 C ATOM 1052 NE ARG A 51 8.209 15.039 -31.079 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.363 15.174 -30.096 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.720 15.797 -29.007 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.157 14.684 -30.202 1.00 0.00 N ATOM 0 H ARG A 51 12.835 11.321 -31.376 1.00 0.00 H new ATOM 0 HA ARG A 51 10.647 11.966 -29.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.977 12.577 -32.117 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.024 11.110 -32.218 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.294 12.656 -31.951 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.599 12.289 -30.265 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.821 14.299 -29.905 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.197 14.495 -31.606 1.00 0.00 H new ATOM 0 HE ARG A 51 8.044 15.520 -31.963 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.662 16.179 -28.924 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.057 15.902 -28.239 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.878 14.196 -31.053 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.494 14.789 -29.434 1.00 0.00 H new ATOM 1056 N GLY A 52 11.346 9.218 -29.254 1.00 0.00 N ATOM 1057 CA GLY A 52 11.060 7.769 -29.034 1.00 0.00 C ATOM 1058 C GLY A 52 12.387 7.021 -28.821 1.00 0.00 C ATOM 1059 O GLY A 52 12.714 6.099 -29.564 1.00 0.00 O ATOM 0 H GLY A 52 12.108 9.597 -28.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.413 7.641 -28.166 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.529 7.356 -29.892 1.00 0.00 H new ATOM 1060 N GLN A 53 13.161 7.400 -27.825 1.00 0.00 N ATOM 1061 CA GLN A 53 14.474 6.708 -27.584 1.00 0.00 C ATOM 1062 C GLN A 53 15.166 7.309 -26.342 1.00 0.00 C ATOM 1063 O GLN A 53 14.711 8.313 -25.792 1.00 0.00 O ATOM 1064 CB GLN A 53 15.377 6.899 -28.808 1.00 0.00 C ATOM 1065 CG GLN A 53 15.476 8.390 -29.161 1.00 0.00 C ATOM 1066 CD GLN A 53 15.291 8.574 -30.674 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.240 9.131 -31.387 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 14.256 8.202 -31.223 1.00 0.00 N flip ATOM 0 H GLN A 53 12.942 8.153 -27.173 1.00 0.00 H new ATOM 0 HA GLN A 53 14.295 5.646 -27.416 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.370 6.499 -28.603 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.977 6.342 -29.655 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.716 8.953 -28.620 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.444 8.784 -28.852 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.515 7.768 -30.673 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.139 8.327 -32.228 1.00 0.00 H new ATOM 1069 N ALA A 54 16.250 6.726 -25.877 1.00 0.00 N ATOM 1070 CA ALA A 54 16.928 7.295 -24.670 1.00 0.00 C ATOM 1071 C ALA A 54 18.408 6.880 -24.632 1.00 0.00 C ATOM 1072 O ALA A 54 18.858 6.069 -25.437 1.00 0.00 O ATOM 1073 CB ALA A 54 16.227 6.783 -23.410 1.00 0.00 C ATOM 0 H ALA A 54 16.687 5.895 -26.275 1.00 0.00 H new ATOM 0 HA ALA A 54 16.871 8.383 -24.716 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.717 7.195 -22.528 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.182 7.094 -23.423 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.281 5.695 -23.380 1.00 0.00 H new ATOM 1074 N PHE A 55 19.174 7.416 -23.704 1.00 0.00 N ATOM 1075 CA PHE A 55 20.617 7.040 -23.616 1.00 0.00 C ATOM 1076 C PHE A 55 20.935 6.613 -22.176 1.00 0.00 C ATOM 1077 O PHE A 55 20.890 7.430 -21.258 1.00 0.00 O ATOM 1078 CB PHE A 55 21.490 8.243 -23.985 1.00 0.00 C ATOM 1079 CG PHE A 55 21.338 8.562 -25.454 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.186 9.210 -25.916 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.356 8.218 -26.351 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.053 9.512 -27.276 1.00 0.00 C ATOM 1083 CE2 PHE A 55 22.222 8.519 -27.711 1.00 0.00 C ATOM 1084 CZ PHE A 55 21.071 9.167 -28.173 1.00 0.00 C ATOM 0 H PHE A 55 18.859 8.094 -23.010 1.00 0.00 H new ATOM 0 HA PHE A 55 20.821 6.220 -24.305 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.204 9.107 -23.386 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.534 8.028 -23.757 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.401 9.476 -25.224 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.245 7.720 -25.993 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.165 10.011 -27.634 1.00 0.00 H new ATOM 0 HE2 PHE A 55 23.006 8.251 -28.404 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.968 9.401 -29.222 1.00 0.00 H new ATOM 1085 N VAL A 56 21.257 5.358 -21.948 1.00 0.00 N ATOM 1086 CA VAL A 56 21.571 4.918 -20.554 1.00 0.00 C ATOM 1087 C VAL A 56 23.088 4.757 -20.399 1.00 0.00 C ATOM 1088 O VAL A 56 23.759 4.272 -21.304 1.00 0.00 O ATOM 1089 CB VAL A 56 20.889 3.579 -20.269 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.122 3.185 -18.809 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.387 3.701 -20.532 1.00 0.00 C ATOM 0 H VAL A 56 21.315 4.630 -22.660 1.00 0.00 H new ATOM 0 HA VAL A 56 21.207 5.667 -19.850 1.00 0.00 H new ATOM 0 HB VAL A 56 21.310 2.814 -20.922 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.635 2.231 -18.608 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.192 3.093 -18.623 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.705 3.950 -18.155 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.903 2.746 -20.328 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.965 4.467 -19.882 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.221 3.977 -21.573 1.00 0.00 H new ATOM 1092 N ILE A 57 23.648 5.148 -19.275 1.00 0.00 N ATOM 1093 CA ILE A 57 25.120 5.001 -19.091 1.00 0.00 C ATOM 1094 C ILE A 57 25.394 4.097 -17.883 1.00 0.00 C ATOM 1095 O ILE A 57 24.650 4.115 -16.904 1.00 0.00 O ATOM 1096 CB ILE A 57 25.751 6.376 -18.851 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.320 7.340 -19.960 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.274 6.244 -18.857 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.626 8.777 -19.534 1.00 0.00 C ATOM 0 H ILE A 57 23.149 5.559 -18.486 1.00 0.00 H new ATOM 0 HA ILE A 57 25.553 4.557 -19.987 1.00 0.00 H new ATOM 0 HB ILE A 57 25.421 6.762 -17.887 1.00 0.00 H new ATOM 0 HG12 ILE A 57 25.845 7.104 -20.886 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.254 7.228 -20.160 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.725 7.222 -18.686 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.583 5.559 -18.067 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.602 5.857 -19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.319 9.464 -20.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.081 9.009 -18.619 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.696 8.884 -19.356 1.00 0.00 H new ATOM 1100 N PHE A 58 26.444 3.305 -17.920 1.00 0.00 N ATOM 1101 CA PHE A 58 26.743 2.415 -16.765 1.00 0.00 C ATOM 1102 C PHE A 58 28.128 2.765 -16.200 1.00 0.00 C ATOM 1103 O PHE A 58 29.008 3.219 -16.931 1.00 0.00 O ATOM 1104 CB PHE A 58 26.737 0.956 -17.226 1.00 0.00 C ATOM 1105 CG PHE A 58 25.330 0.405 -17.166 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.712 0.184 -15.927 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.646 0.111 -18.350 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.412 -0.332 -15.877 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.345 -0.404 -18.299 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.729 -0.626 -17.063 1.00 0.00 C ATOM 0 H PHE A 58 27.099 3.242 -18.699 1.00 0.00 H new ATOM 0 HA PHE A 58 25.985 2.554 -15.994 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.122 0.885 -18.243 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.397 0.363 -16.593 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.239 0.412 -15.012 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.122 0.281 -19.304 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.936 -0.503 -14.923 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.817 -0.630 -19.214 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.726 -1.024 -17.024 1.00 0.00 H new ATOM 1111 N LYS A 59 28.348 2.564 -14.918 1.00 0.00 N ATOM 1112 CA LYS A 59 29.691 2.894 -14.332 1.00 0.00 C ATOM 1113 C LYS A 59 30.788 2.158 -15.118 1.00 0.00 C ATOM 1114 O LYS A 59 31.848 2.719 -15.393 1.00 0.00 O ATOM 1115 CB LYS A 59 29.752 2.463 -12.859 1.00 0.00 C ATOM 1116 CG LYS A 59 30.690 3.396 -12.091 1.00 0.00 C ATOM 1117 CD LYS A 59 32.106 2.818 -12.101 1.00 0.00 C ATOM 1118 CE LYS A 59 32.272 1.852 -10.926 1.00 0.00 C ATOM 1119 NZ LYS A 59 33.231 0.774 -11.301 1.00 0.00 N ATOM 0 H LYS A 59 27.665 2.190 -14.260 1.00 0.00 H new ATOM 0 HA LYS A 59 29.846 3.971 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.755 2.491 -12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.105 1.434 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 59 30.687 4.387 -12.546 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.342 3.515 -11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 59 32.292 2.299 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.839 3.622 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.635 2.388 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.308 1.419 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.344 0.117 -10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.866 0.257 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.152 1.195 -11.536 1.00 0.00 H new ATOM 1120 N GLU A 60 30.560 0.916 -15.488 1.00 0.00 N ATOM 1121 CA GLU A 60 31.592 0.167 -16.253 1.00 0.00 C ATOM 1122 C GLU A 60 31.033 -0.208 -17.635 1.00 0.00 C ATOM 1123 O GLU A 60 29.825 -0.154 -17.860 1.00 0.00 O ATOM 1124 CB GLU A 60 31.969 -1.106 -15.492 1.00 0.00 C ATOM 1125 CG GLU A 60 33.434 -1.453 -15.769 1.00 0.00 C ATOM 1126 CD GLU A 60 34.032 -2.157 -14.549 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.009 -1.569 -13.480 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.503 -3.272 -14.705 1.00 0.00 O ATOM 0 H GLU A 60 29.704 0.397 -15.290 1.00 0.00 H new ATOM 0 HA GLU A 60 32.477 0.791 -16.376 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.814 -0.962 -14.423 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.325 -1.930 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.507 -2.097 -16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.997 -0.547 -15.992 1.00 0.00 H new ATOM 1129 N VAL A 61 31.881 -0.588 -18.567 1.00 0.00 N ATOM 1130 CA VAL A 61 31.373 -0.963 -19.926 1.00 0.00 C ATOM 1131 C VAL A 61 30.702 -2.344 -19.865 1.00 0.00 C ATOM 1132 O VAL A 61 29.685 -2.576 -20.515 1.00 0.00 O ATOM 1133 CB VAL A 61 32.529 -1.008 -20.933 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.975 -1.262 -22.336 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.270 0.330 -20.916 1.00 0.00 C ATOM 0 H VAL A 61 32.892 -0.654 -18.446 1.00 0.00 H new ATOM 0 HA VAL A 61 30.648 -0.214 -20.246 1.00 0.00 H new ATOM 0 HB VAL A 61 33.215 -1.810 -20.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.797 -1.294 -23.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.444 -2.214 -22.351 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.289 -0.460 -22.607 1.00 0.00 H new ATOM 0 HG21 VAL A 61 34.092 0.300 -21.631 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.582 1.130 -21.188 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.665 0.515 -19.917 1.00 0.00 H new ATOM 1136 N SER A 62 31.248 -3.268 -19.108 1.00 0.00 N ATOM 1137 CA SER A 62 30.625 -4.633 -19.028 1.00 0.00 C ATOM 1138 C SER A 62 29.187 -4.533 -18.485 1.00 0.00 C ATOM 1139 O SER A 62 28.321 -5.306 -18.882 1.00 0.00 O ATOM 1140 CB SER A 62 31.447 -5.540 -18.105 1.00 0.00 C ATOM 1141 OG SER A 62 31.657 -4.881 -16.863 1.00 0.00 O ATOM 0 H SER A 62 32.090 -3.140 -18.547 1.00 0.00 H new ATOM 0 HA SER A 62 30.606 -5.058 -20.032 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.926 -6.484 -17.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.404 -5.779 -18.569 1.00 0.00 H new ATOM 0 HG SER A 62 32.181 -5.459 -16.270 1.00 0.00 H new ATOM 1142 N SER A 63 28.910 -3.615 -17.581 1.00 0.00 N ATOM 1143 CA SER A 63 27.514 -3.512 -17.029 1.00 0.00 C ATOM 1144 C SER A 63 26.509 -3.232 -18.163 1.00 0.00 C ATOM 1145 O SER A 63 25.388 -3.745 -18.149 1.00 0.00 O ATOM 1146 CB SER A 63 27.433 -2.382 -15.991 1.00 0.00 C ATOM 1147 OG SER A 63 26.765 -2.859 -14.830 1.00 0.00 O ATOM 0 H SER A 63 29.579 -2.942 -17.206 1.00 0.00 H new ATOM 0 HA SER A 63 27.265 -4.460 -16.552 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.434 -2.037 -15.733 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.899 -1.528 -16.407 1.00 0.00 H new ATOM 0 HG SER A 63 27.104 -2.387 -14.041 1.00 0.00 H new ATOM 1148 N ALA A 64 26.877 -2.440 -19.150 1.00 0.00 N ATOM 1149 CA ALA A 64 25.921 -2.156 -20.264 1.00 0.00 C ATOM 1150 C ALA A 64 25.824 -3.384 -21.176 1.00 0.00 C ATOM 1151 O ALA A 64 24.767 -3.660 -21.742 1.00 0.00 O ATOM 1152 CB ALA A 64 26.389 -0.939 -21.078 1.00 0.00 C ATOM 0 H ALA A 64 27.787 -1.986 -19.228 1.00 0.00 H new ATOM 0 HA ALA A 64 24.941 -1.934 -19.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.681 -0.747 -21.885 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.444 -0.066 -20.428 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.374 -1.140 -21.500 1.00 0.00 H new ATOM 1153 N THR A 65 26.896 -4.132 -21.339 1.00 0.00 N ATOM 1154 CA THR A 65 26.824 -5.333 -22.223 1.00 0.00 C ATOM 1155 C THR A 65 25.752 -6.298 -21.689 1.00 0.00 C ATOM 1156 O THR A 65 25.015 -6.908 -22.462 1.00 0.00 O ATOM 1157 CB THR A 65 28.184 -6.055 -22.269 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.250 -5.098 -22.232 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.274 -6.897 -23.549 1.00 0.00 C ATOM 0 H THR A 65 27.802 -3.962 -20.903 1.00 0.00 H new ATOM 0 HA THR A 65 26.565 -5.010 -23.231 1.00 0.00 H new ATOM 0 HB THR A 65 28.273 -6.710 -21.402 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.111 -5.566 -22.260 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.236 -7.408 -23.582 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.471 -7.634 -23.557 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.178 -6.248 -24.419 1.00 0.00 H new ATOM 1160 N ASN A 66 25.641 -6.450 -20.384 1.00 0.00 N ATOM 1161 CA ASN A 66 24.605 -7.377 -19.828 1.00 0.00 C ATOM 1162 C ASN A 66 23.213 -6.743 -19.984 1.00 0.00 C ATOM 1163 O ASN A 66 22.237 -7.438 -20.257 1.00 0.00 O ATOM 1164 CB ASN A 66 24.874 -7.649 -18.341 1.00 0.00 C ATOM 1165 CG ASN A 66 24.584 -9.122 -18.027 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.651 -9.427 -17.288 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.332 -10.062 -18.551 1.00 0.00 N ATOM 0 H ASN A 66 26.219 -5.976 -19.690 1.00 0.00 H new ATOM 0 HA ASN A 66 24.647 -8.319 -20.375 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.910 -7.412 -18.099 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.248 -7.005 -17.724 1.00 0.00 H new ATOM 0 HD21 ASN A 66 25.138 -11.042 -18.345 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.108 -9.814 -19.165 1.00 0.00 H new ATOM 1168 N ALA A 67 23.092 -5.439 -19.823 1.00 0.00 N ATOM 1169 CA ALA A 67 21.744 -4.797 -19.977 1.00 0.00 C ATOM 1170 C ALA A 67 21.342 -4.671 -21.467 1.00 0.00 C ATOM 1171 O ALA A 67 20.216 -4.278 -21.767 1.00 0.00 O ATOM 1172 CB ALA A 67 21.755 -3.398 -19.347 1.00 0.00 C ATOM 0 H ALA A 67 23.857 -4.803 -19.595 1.00 0.00 H new ATOM 0 HA ALA A 67 21.017 -5.433 -19.472 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.773 -2.939 -19.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.995 -3.478 -18.287 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.505 -2.781 -19.843 1.00 0.00 H new ATOM 1173 N LEU A 68 22.217 -4.977 -22.412 1.00 0.00 N ATOM 1174 CA LEU A 68 21.832 -4.843 -23.851 1.00 0.00 C ATOM 1175 C LEU A 68 21.426 -6.213 -24.425 1.00 0.00 C ATOM 1176 O LEU A 68 20.442 -6.318 -25.156 1.00 0.00 O ATOM 1177 CB LEU A 68 23.022 -4.294 -24.646 1.00 0.00 C ATOM 1178 CG LEU A 68 22.532 -3.679 -25.969 1.00 0.00 C ATOM 1179 CD1 LEU A 68 23.039 -2.239 -26.090 1.00 0.00 C ATOM 1180 CD2 LEU A 68 23.064 -4.499 -27.150 1.00 0.00 C ATOM 0 H LEU A 68 23.167 -5.309 -22.244 1.00 0.00 H new ATOM 0 HA LEU A 68 20.986 -4.160 -23.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.547 -3.541 -24.058 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.734 -5.094 -24.849 1.00 0.00 H new ATOM 0 HG LEU A 68 21.442 -3.685 -25.980 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.690 -1.808 -27.028 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.660 -1.649 -25.256 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.129 -2.234 -26.072 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.715 -4.060 -28.085 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.154 -4.497 -27.133 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.702 -5.524 -27.073 1.00 0.00 H new ATOM 1181 N ARG A 69 22.158 -7.265 -24.120 1.00 0.00 N ATOM 1182 CA ARG A 69 21.791 -8.610 -24.671 1.00 0.00 C ATOM 1183 C ARG A 69 20.597 -9.184 -23.894 1.00 0.00 C ATOM 1184 O ARG A 69 19.695 -9.783 -24.478 1.00 0.00 O ATOM 1185 CB ARG A 69 22.980 -9.574 -24.556 1.00 0.00 C ATOM 1186 CG ARG A 69 24.185 -8.992 -25.297 1.00 0.00 C ATOM 1187 CD ARG A 69 25.410 -9.875 -25.050 1.00 0.00 C ATOM 1188 NE ARG A 69 25.618 -10.036 -23.583 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.917 -11.207 -23.091 1.00 0.00 C ATOM 1190 NH1 ARG A 69 25.031 -12.165 -23.096 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.106 -11.420 -22.594 1.00 0.00 N ATOM 0 H ARG A 69 22.983 -7.249 -23.521 1.00 0.00 H new ATOM 0 HA ARG A 69 21.523 -8.494 -25.721 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.229 -9.737 -23.507 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.716 -10.545 -24.976 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.975 -8.933 -26.365 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.380 -7.976 -24.954 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.269 -10.850 -25.517 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.293 -9.427 -25.506 1.00 0.00 H new ATOM 0 HE ARG A 69 25.527 -9.231 -22.964 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.103 -11.999 -23.485 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.267 -13.080 -22.711 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.799 -10.672 -22.591 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.341 -12.335 -22.209 1.00 0.00 H new ATOM 1192 N SER A 70 20.566 -9.018 -22.591 1.00 0.00 N ATOM 1193 CA SER A 70 19.417 -9.566 -21.797 1.00 0.00 C ATOM 1194 C SER A 70 18.114 -8.875 -22.229 1.00 0.00 C ATOM 1195 O SER A 70 17.067 -9.514 -22.319 1.00 0.00 O ATOM 1196 CB SER A 70 19.640 -9.326 -20.298 1.00 0.00 C ATOM 1197 OG SER A 70 18.698 -10.087 -19.555 1.00 0.00 O ATOM 0 H SER A 70 21.279 -8.532 -22.047 1.00 0.00 H new ATOM 0 HA SER A 70 19.347 -10.638 -21.981 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.655 -9.610 -20.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.531 -8.266 -20.068 1.00 0.00 H new ATOM 0 HG SER A 70 18.839 -9.937 -18.597 1.00 0.00 H new ATOM 1198 N MET A 71 18.147 -7.586 -22.498 1.00 0.00 N ATOM 1199 CA MET A 71 16.900 -6.884 -22.919 1.00 0.00 C ATOM 1200 C MET A 71 16.970 -6.553 -24.419 1.00 0.00 C ATOM 1201 O MET A 71 16.515 -5.495 -24.850 1.00 0.00 O ATOM 1202 CB MET A 71 16.750 -5.589 -22.119 1.00 0.00 C ATOM 1203 CG MET A 71 15.872 -5.843 -20.892 1.00 0.00 C ATOM 1204 SD MET A 71 15.062 -4.300 -20.401 1.00 0.00 S ATOM 1205 CE MET A 71 13.424 -4.996 -20.072 1.00 0.00 C ATOM 0 H MET A 71 18.980 -7.000 -22.443 1.00 0.00 H new ATOM 0 HA MET A 71 16.043 -7.531 -22.733 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.730 -5.226 -21.809 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.305 -4.814 -22.743 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.124 -6.603 -21.118 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.478 -6.226 -20.071 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.750 -4.203 -19.749 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.035 -5.455 -20.981 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.500 -5.750 -19.288 1.00 0.00 H new ATOM 1206 N GLN A 72 17.525 -7.433 -25.228 1.00 0.00 N ATOM 1207 CA GLN A 72 17.604 -7.144 -26.693 1.00 0.00 C ATOM 1208 C GLN A 72 16.281 -7.552 -27.358 1.00 0.00 C ATOM 1209 O GLN A 72 16.062 -8.724 -27.659 1.00 0.00 O ATOM 1210 CB GLN A 72 18.756 -7.934 -27.326 1.00 0.00 C ATOM 1211 CG GLN A 72 18.886 -7.555 -28.803 1.00 0.00 C ATOM 1212 CD GLN A 72 20.364 -7.581 -29.211 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.856 -8.598 -29.695 1.00 0.00 O ATOM 1214 NE2 GLN A 72 21.109 -6.515 -29.043 1.00 0.00 N ATOM 0 H GLN A 72 17.921 -8.327 -24.937 1.00 0.00 H new ATOM 0 HA GLN A 72 17.782 -6.079 -26.840 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.688 -7.721 -26.802 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.573 -9.004 -27.229 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.316 -8.250 -29.419 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.469 -6.562 -28.973 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.705 -5.669 -28.642 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.092 -6.532 -29.314 1.00 0.00 H new ATOM 1215 N GLY A 73 15.387 -6.613 -27.589 1.00 0.00 N ATOM 1216 CA GLY A 73 14.086 -6.970 -28.226 1.00 0.00 C ATOM 1217 C GLY A 73 13.097 -7.405 -27.137 1.00 0.00 C ATOM 1218 O GLY A 73 12.540 -8.500 -27.194 1.00 0.00 O ATOM 0 H GLY A 73 15.506 -5.625 -27.364 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.689 -6.116 -28.775 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.229 -7.774 -28.948 1.00 0.00 H new ATOM 1219 N PHE A 74 12.866 -6.577 -26.140 1.00 0.00 N ATOM 1220 CA PHE A 74 11.917 -6.963 -25.056 1.00 0.00 C ATOM 1221 C PHE A 74 10.808 -5.903 -24.938 1.00 0.00 C ATOM 1222 O PHE A 74 11.013 -4.757 -25.331 1.00 0.00 O ATOM 1223 CB PHE A 74 12.672 -7.056 -23.727 1.00 0.00 C ATOM 1224 CG PHE A 74 12.992 -8.501 -23.426 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.840 -9.224 -24.274 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.441 -9.118 -22.297 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.138 -10.562 -23.993 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.737 -10.457 -22.015 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.586 -11.179 -22.863 1.00 0.00 C ATOM 0 H PHE A 74 13.294 -5.657 -26.036 1.00 0.00 H new ATOM 0 HA PHE A 74 11.472 -7.929 -25.293 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.591 -6.472 -23.778 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.069 -6.632 -22.924 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.264 -8.748 -25.146 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.787 -8.561 -21.643 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.793 -11.119 -24.647 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.311 -10.933 -21.144 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.815 -12.212 -22.646 1.00 0.00 H new ATOM 1230 N PRO A 75 9.663 -6.290 -24.401 1.00 0.00 N ATOM 1231 CA PRO A 75 8.532 -5.362 -24.231 1.00 0.00 C ATOM 1232 C PRO A 75 8.774 -4.452 -23.018 1.00 0.00 C ATOM 1233 O PRO A 75 9.202 -4.915 -21.961 1.00 0.00 O ATOM 1234 CB PRO A 75 7.334 -6.285 -23.992 1.00 0.00 C ATOM 1235 CG PRO A 75 7.909 -7.624 -23.477 1.00 0.00 C ATOM 1236 CD PRO A 75 9.385 -7.666 -23.915 1.00 0.00 C ATOM 0 HA PRO A 75 8.385 -4.703 -25.086 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.649 -5.851 -23.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.769 -6.434 -24.912 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.825 -7.690 -22.392 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.357 -8.468 -23.892 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.039 -7.934 -23.085 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.546 -8.405 -24.700 1.00 0.00 H new ATOM 1237 N PHE A 76 8.516 -3.168 -23.141 1.00 0.00 N ATOM 1238 CA PHE A 76 8.744 -2.252 -21.985 1.00 0.00 C ATOM 1239 C PHE A 76 7.568 -1.271 -21.863 1.00 0.00 C ATOM 1240 O PHE A 76 6.891 -1.228 -20.836 1.00 0.00 O ATOM 1241 CB PHE A 76 10.042 -1.471 -22.203 1.00 0.00 C ATOM 1242 CG PHE A 76 10.457 -0.812 -20.910 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.675 -1.589 -19.766 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.623 0.577 -20.854 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.059 -0.977 -18.567 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.007 1.189 -19.655 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.225 0.411 -18.511 1.00 0.00 C ATOM 0 H PHE A 76 8.160 -2.722 -23.987 1.00 0.00 H new ATOM 0 HA PHE A 76 8.821 -2.837 -21.069 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.828 -2.141 -22.550 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.900 -0.718 -22.978 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.547 -2.661 -19.809 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.455 1.177 -21.736 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.227 -1.577 -17.685 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.135 2.261 -19.612 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.521 0.883 -17.586 1.00 0.00 H new ATOM 1248 N TYR A 77 7.310 -0.475 -22.880 1.00 0.00 N ATOM 1249 CA TYR A 77 6.184 0.493 -22.797 1.00 0.00 C ATOM 1250 C TYR A 77 5.059 0.067 -23.753 1.00 0.00 C ATOM 1251 O TYR A 77 4.770 0.751 -24.732 1.00 0.00 O ATOM 1252 CB TYR A 77 6.691 1.889 -23.176 1.00 0.00 C ATOM 1253 CG TYR A 77 7.096 2.645 -21.926 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.877 2.020 -20.943 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.686 3.972 -21.752 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.245 2.722 -19.789 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.056 4.674 -20.598 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.835 4.048 -19.617 1.00 0.00 C ATOM 1259 OH TYR A 77 8.197 4.739 -18.480 1.00 0.00 O ATOM 0 H TYR A 77 7.833 -0.460 -23.756 1.00 0.00 H new ATOM 0 HA TYR A 77 5.793 0.512 -21.780 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.541 1.806 -23.853 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.913 2.437 -23.707 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.195 0.996 -21.076 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.084 4.455 -22.508 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.845 2.240 -19.032 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.741 5.698 -20.465 1.00 0.00 H new ATOM 0 HH TYR A 77 7.404 5.158 -18.086 1.00 0.00 H new ATOM 1260 N ASP A 78 4.411 -1.049 -23.489 1.00 0.00 N ATOM 1261 CA ASP A 78 3.307 -1.502 -24.385 1.00 0.00 C ATOM 1262 C ASP A 78 3.835 -1.681 -25.816 1.00 0.00 C ATOM 1263 O ASP A 78 3.159 -1.330 -26.782 1.00 0.00 O ATOM 1264 CB ASP A 78 2.190 -0.457 -24.380 1.00 0.00 C ATOM 1265 CG ASP A 78 0.834 -1.158 -24.481 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.559 -1.998 -23.641 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.093 -0.844 -25.398 1.00 0.00 O ATOM 0 H ASP A 78 4.602 -1.659 -22.694 1.00 0.00 H new ATOM 0 HA ASP A 78 2.920 -2.455 -24.026 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.237 0.137 -23.467 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.318 0.232 -25.215 1.00 0.00 H new ATOM 1268 N LYS A 79 5.026 -2.221 -25.982 1.00 0.00 N ATOM 1269 CA LYS A 79 5.568 -2.413 -27.368 1.00 0.00 C ATOM 1270 C LYS A 79 6.982 -3.029 -27.305 1.00 0.00 C ATOM 1271 O LYS A 79 7.669 -2.884 -26.296 1.00 0.00 O ATOM 1272 CB LYS A 79 5.636 -1.056 -28.086 1.00 0.00 C ATOM 1273 CG LYS A 79 4.585 -1.002 -29.199 1.00 0.00 C ATOM 1274 CD LYS A 79 4.149 0.447 -29.423 1.00 0.00 C ATOM 1275 CE LYS A 79 5.200 1.176 -30.262 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.524 2.131 -31.185 1.00 0.00 N ATOM 0 H LYS A 79 5.637 -2.533 -25.227 1.00 0.00 H new ATOM 0 HA LYS A 79 4.909 -3.087 -27.915 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.466 -0.249 -27.374 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.631 -0.906 -28.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.995 -1.416 -30.120 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.724 -1.614 -28.930 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.184 0.473 -29.929 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.021 0.951 -28.465 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.893 1.711 -29.612 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.788 0.457 -30.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.238 2.627 -31.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.880 1.610 -31.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.981 2.824 -30.631 1.00 0.00 H new ATOM 1277 N PRO A 80 7.395 -3.698 -28.369 1.00 0.00 N ATOM 1278 CA PRO A 80 8.726 -4.326 -28.425 1.00 0.00 C ATOM 1279 C PRO A 80 9.801 -3.266 -28.706 1.00 0.00 C ATOM 1280 O PRO A 80 9.547 -2.283 -29.400 1.00 0.00 O ATOM 1281 CB PRO A 80 8.616 -5.315 -29.590 1.00 0.00 C ATOM 1282 CG PRO A 80 7.459 -4.809 -30.484 1.00 0.00 C ATOM 1283 CD PRO A 80 6.591 -3.891 -29.603 1.00 0.00 C ATOM 0 HA PRO A 80 9.010 -4.812 -27.492 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.549 -5.360 -30.151 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.414 -6.323 -29.227 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.845 -4.266 -31.347 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.873 -5.644 -30.869 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.388 -2.941 -30.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.626 -4.348 -29.382 1.00 0.00 H new ATOM 1284 N MET A 81 10.997 -3.435 -28.182 1.00 0.00 N ATOM 1285 CA MET A 81 12.064 -2.422 -28.430 1.00 0.00 C ATOM 1286 C MET A 81 13.435 -3.114 -28.499 1.00 0.00 C ATOM 1287 O MET A 81 13.736 -4.004 -27.704 1.00 0.00 O ATOM 1288 CB MET A 81 12.067 -1.388 -27.299 1.00 0.00 C ATOM 1289 CG MET A 81 12.103 -2.099 -25.944 1.00 0.00 C ATOM 1290 SD MET A 81 12.781 -0.980 -24.695 1.00 0.00 S ATOM 1291 CE MET A 81 13.795 -2.201 -23.826 1.00 0.00 C ATOM 0 H MET A 81 11.273 -4.225 -27.599 1.00 0.00 H new ATOM 0 HA MET A 81 11.867 -1.921 -29.378 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.931 -0.731 -27.398 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.179 -0.760 -27.366 1.00 0.00 H new ATOM 0 HG2 MET A 81 11.099 -2.414 -25.659 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.713 -3.000 -26.010 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.315 -1.719 -22.998 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.157 -2.996 -23.440 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.525 -2.625 -24.516 1.00 0.00 H new ATOM 1292 N ARG A 82 14.276 -2.724 -29.435 1.00 0.00 N ATOM 1293 CA ARG A 82 15.621 -3.361 -29.545 1.00 0.00 C ATOM 1294 C ARG A 82 16.671 -2.435 -28.917 1.00 0.00 C ATOM 1295 O ARG A 82 16.509 -1.216 -28.907 1.00 0.00 O ATOM 1296 CB ARG A 82 15.961 -3.590 -31.019 1.00 0.00 C ATOM 1297 CG ARG A 82 15.163 -4.783 -31.548 1.00 0.00 C ATOM 1298 CD ARG A 82 15.018 -4.666 -33.067 1.00 0.00 C ATOM 1299 NE ARG A 82 14.114 -5.741 -33.564 1.00 0.00 N ATOM 1300 CZ ARG A 82 13.210 -5.469 -34.465 1.00 0.00 C ATOM 1301 NH1 ARG A 82 13.546 -4.841 -35.558 1.00 0.00 N ATOM 1302 NH2 ARG A 82 11.970 -5.825 -34.272 1.00 0.00 N ATOM 0 H ARG A 82 14.084 -1.995 -30.122 1.00 0.00 H new ATOM 0 HA ARG A 82 15.615 -4.318 -29.023 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.728 -2.697 -31.600 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.029 -3.775 -31.132 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.667 -5.714 -31.291 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.179 -4.813 -31.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.616 -3.688 -33.330 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.995 -4.748 -33.544 1.00 0.00 H new ATOM 0 HE ARG A 82 14.202 -6.690 -33.200 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.516 -4.562 -35.709 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.839 -4.629 -36.262 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.707 -6.316 -33.417 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.263 -5.613 -34.976 1.00 0.00 H new ATOM 1303 N ILE A 83 17.744 -2.983 -28.389 1.00 0.00 N ATOM 1304 CA ILE A 83 18.785 -2.117 -27.765 1.00 0.00 C ATOM 1305 C ILE A 83 20.079 -2.175 -28.594 1.00 0.00 C ATOM 1306 O ILE A 83 20.458 -3.227 -29.106 1.00 0.00 O ATOM 1307 CB ILE A 83 19.067 -2.605 -26.344 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.756 -2.650 -25.554 1.00 0.00 C ATOM 1309 CG2 ILE A 83 20.043 -1.645 -25.658 1.00 0.00 C ATOM 1310 CD1 ILE A 83 18.008 -3.265 -24.176 1.00 0.00 C ATOM 0 H ILE A 83 17.938 -3.984 -28.366 1.00 0.00 H new ATOM 0 HA ILE A 83 18.426 -1.088 -27.734 1.00 0.00 H new ATOM 0 HB ILE A 83 19.506 -3.602 -26.381 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.350 -1.644 -25.446 1.00 0.00 H new ATOM 0 HG13 ILE A 83 17.014 -3.237 -26.095 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.244 -1.993 -24.645 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.975 -1.610 -26.221 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.605 -0.648 -25.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.074 -3.296 -23.615 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.394 -4.277 -24.294 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.736 -2.660 -23.635 1.00 0.00 H new ATOM 1311 N GLN A 84 20.771 -1.064 -28.735 1.00 0.00 N ATOM 1312 CA GLN A 84 22.039 -1.061 -29.526 1.00 0.00 C ATOM 1313 C GLN A 84 23.012 -0.043 -28.909 1.00 0.00 C ATOM 1314 O GLN A 84 22.614 1.061 -28.554 1.00 0.00 O ATOM 1315 CB GLN A 84 21.739 -0.672 -30.976 1.00 0.00 C ATOM 1316 CG GLN A 84 20.957 0.644 -31.006 1.00 0.00 C ATOM 1317 CD GLN A 84 20.372 0.859 -32.407 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.038 0.596 -33.406 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.154 1.327 -32.543 1.00 0.00 N ATOM 0 H GLN A 84 20.509 -0.163 -28.335 1.00 0.00 H new ATOM 0 HA GLN A 84 22.486 -2.055 -29.508 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.669 -0.566 -31.534 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.163 -1.460 -31.462 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.157 0.621 -30.266 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.612 1.475 -30.742 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.597 1.547 -31.717 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.764 1.471 -33.474 1.00 0.00 H new ATOM 1320 N TYR A 85 24.275 -0.389 -28.756 1.00 0.00 N ATOM 1321 CA TYR A 85 25.250 0.576 -28.135 1.00 0.00 C ATOM 1322 C TYR A 85 25.124 1.970 -28.779 1.00 0.00 C ATOM 1323 O TYR A 85 24.432 2.144 -29.780 1.00 0.00 O ATOM 1324 CB TYR A 85 26.685 0.063 -28.307 1.00 0.00 C ATOM 1325 CG TYR A 85 26.877 -1.171 -27.457 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.556 -1.143 -26.093 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.371 -2.347 -28.034 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.729 -2.288 -25.308 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.546 -3.492 -27.248 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.224 -3.463 -25.887 1.00 0.00 C ATOM 1331 OH TYR A 85 27.397 -4.593 -25.116 1.00 0.00 O ATOM 0 H TYR A 85 24.670 -1.288 -29.031 1.00 0.00 H new ATOM 0 HA TYR A 85 25.017 0.656 -27.073 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.878 -0.169 -29.354 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.397 0.835 -28.015 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.175 -0.236 -25.647 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.617 -2.371 -29.085 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.481 -2.266 -24.257 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.930 -4.398 -27.693 1.00 0.00 H new ATOM 0 HH TYR A 85 26.765 -5.285 -25.403 1.00 0.00 H new ATOM 1332 N ALA A 86 25.773 2.971 -28.218 1.00 0.00 N ATOM 1333 CA ALA A 86 25.675 4.346 -28.798 1.00 0.00 C ATOM 1334 C ALA A 86 26.726 4.514 -29.905 1.00 0.00 C ATOM 1335 O ALA A 86 27.365 3.546 -30.316 1.00 0.00 O ATOM 1336 CB ALA A 86 25.916 5.394 -27.703 1.00 0.00 C ATOM 0 H ALA A 86 26.361 2.891 -27.389 1.00 0.00 H new ATOM 0 HA ALA A 86 24.678 4.486 -29.216 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.843 6.393 -28.133 1.00 0.00 H new ATOM 0 HB2 ALA A 86 25.167 5.281 -26.920 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.910 5.254 -27.278 1.00 0.00 H new ATOM 1337 N LYS A 87 26.928 5.720 -30.399 1.00 0.00 N ATOM 1338 CA LYS A 87 27.948 5.917 -31.472 1.00 0.00 C ATOM 1339 C LYS A 87 29.319 6.171 -30.825 1.00 0.00 C ATOM 1340 O LYS A 87 30.320 5.576 -31.221 1.00 0.00 O ATOM 1341 CB LYS A 87 27.576 7.119 -32.355 1.00 0.00 C ATOM 1342 CG LYS A 87 26.100 7.043 -32.774 1.00 0.00 C ATOM 1343 CD LYS A 87 25.835 5.751 -33.562 1.00 0.00 C ATOM 1344 CE LYS A 87 25.047 6.072 -34.835 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.141 4.924 -35.780 1.00 0.00 N ATOM 0 H LYS A 87 26.434 6.563 -30.106 1.00 0.00 H new ATOM 0 HA LYS A 87 27.984 5.022 -32.092 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.759 8.047 -31.812 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.211 7.137 -33.241 1.00 0.00 H new ATOM 0 HG2 LYS A 87 25.462 7.076 -31.891 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.843 7.909 -33.385 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.779 5.271 -33.819 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.277 5.046 -32.946 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.004 6.270 -34.589 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.442 6.974 -35.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.606 5.142 -36.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 26.138 4.755 -36.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.745 4.073 -35.333 1.00 0.00 H new ATOM 1346 N THR A 88 29.391 7.041 -29.840 1.00 0.00 N ATOM 1347 CA THR A 88 30.699 7.320 -29.186 1.00 0.00 C ATOM 1348 C THR A 88 30.601 7.030 -27.681 1.00 0.00 C ATOM 1349 O THR A 88 29.546 6.638 -27.182 1.00 0.00 O ATOM 1350 CB THR A 88 31.066 8.791 -29.397 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.952 9.608 -29.067 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.448 9.012 -30.858 1.00 0.00 C ATOM 0 H THR A 88 28.599 7.565 -29.467 1.00 0.00 H new ATOM 0 HA THR A 88 31.466 6.682 -29.626 1.00 0.00 H new ATOM 0 HB THR A 88 31.909 9.053 -28.758 1.00 0.00 H new ATOM 0 HG1 THR A 88 30.186 10.550 -29.200 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.710 10.059 -31.011 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.302 8.384 -31.110 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.605 8.751 -31.498 1.00 0.00 H new ATOM 1353 N ASP A 89 31.675 7.216 -26.942 1.00 0.00 N ATOM 1354 CA ASP A 89 31.619 6.947 -25.468 1.00 0.00 C ATOM 1355 C ASP A 89 30.764 8.026 -24.790 1.00 0.00 C ATOM 1356 O ASP A 89 30.241 8.920 -25.452 1.00 0.00 O ATOM 1357 CB ASP A 89 33.031 6.968 -24.867 1.00 0.00 C ATOM 1358 CG ASP A 89 33.891 5.899 -25.541 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.877 4.773 -25.073 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.550 6.225 -26.515 1.00 0.00 O ATOM 0 H ASP A 89 32.577 7.539 -27.293 1.00 0.00 H new ATOM 0 HA ASP A 89 31.180 5.963 -25.304 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.481 7.951 -25.004 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.983 6.787 -23.793 1.00 0.00 H new ATOM 1361 N SER A 90 30.607 7.968 -23.483 1.00 0.00 N ATOM 1362 CA SER A 90 29.780 9.001 -22.788 1.00 0.00 C ATOM 1363 C SER A 90 30.685 10.140 -22.292 1.00 0.00 C ATOM 1364 O SER A 90 31.882 9.949 -22.083 1.00 0.00 O ATOM 1365 CB SER A 90 29.055 8.366 -21.597 1.00 0.00 C ATOM 1366 OG SER A 90 27.678 8.210 -21.915 1.00 0.00 O ATOM 0 H SER A 90 31.014 7.255 -22.877 1.00 0.00 H new ATOM 0 HA SER A 90 29.045 9.402 -23.486 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.498 7.398 -21.361 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.167 8.992 -20.712 1.00 0.00 H new ATOM 0 HG SER A 90 27.384 7.310 -21.663 1.00 0.00 H new ATOM 1367 N ASP A 91 30.141 11.323 -22.096 1.00 0.00 N ATOM 1368 CA ASP A 91 30.982 12.459 -21.612 1.00 0.00 C ATOM 1369 C ASP A 91 31.096 12.417 -20.080 1.00 0.00 C ATOM 1370 O ASP A 91 32.119 12.808 -19.521 1.00 0.00 O ATOM 1371 CB ASP A 91 30.362 13.795 -22.041 1.00 0.00 C ATOM 1372 CG ASP A 91 30.965 14.232 -23.378 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.181 14.253 -23.477 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.201 14.537 -24.278 1.00 0.00 O ATOM 0 H ASP A 91 29.158 11.545 -22.250 1.00 0.00 H new ATOM 0 HA ASP A 91 31.976 12.366 -22.050 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.281 13.693 -22.134 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.547 14.554 -21.281 1.00 0.00 H new ATOM 1375 N ILE A 92 30.077 11.961 -19.378 1.00 0.00 N ATOM 1376 CA ILE A 92 30.178 11.913 -17.887 1.00 0.00 C ATOM 1377 C ILE A 92 31.353 11.003 -17.459 1.00 0.00 C ATOM 1378 O ILE A 92 31.935 11.212 -16.399 1.00 0.00 O ATOM 1379 CB ILE A 92 28.865 11.409 -17.260 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.411 10.101 -17.927 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.780 12.474 -17.435 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.993 9.090 -16.856 1.00 0.00 C ATOM 0 H ILE A 92 29.197 11.627 -19.770 1.00 0.00 H new ATOM 0 HA ILE A 92 30.362 12.926 -17.528 1.00 0.00 H new ATOM 0 HB ILE A 92 29.033 11.218 -16.200 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.577 10.296 -18.601 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.220 9.691 -18.532 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.849 12.121 -16.992 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.091 13.394 -16.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.627 12.666 -18.497 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.672 8.165 -17.335 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.839 8.885 -16.200 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.170 9.500 -16.270 1.00 0.00 H new ATOM 1383 N ILE A 93 31.737 10.016 -18.254 1.00 0.00 N ATOM 1384 CA ILE A 93 32.894 9.142 -17.854 1.00 0.00 C ATOM 1385 C ILE A 93 34.217 9.885 -18.156 1.00 0.00 C ATOM 1386 O ILE A 93 35.220 9.673 -17.477 1.00 0.00 O ATOM 1387 CB ILE A 93 32.850 7.792 -18.616 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.760 6.896 -18.020 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.192 7.055 -18.487 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.392 7.527 -18.238 1.00 0.00 C ATOM 0 H ILE A 93 31.304 9.784 -19.148 1.00 0.00 H new ATOM 0 HA ILE A 93 32.830 8.928 -16.787 1.00 0.00 H new ATOM 0 HB ILE A 93 32.643 8.003 -19.665 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.793 5.910 -18.484 1.00 0.00 H new ATOM 0 HG13 ILE A 93 31.938 6.752 -16.954 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.142 6.110 -19.028 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.987 7.671 -18.906 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.400 6.860 -17.435 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.622 6.884 -17.811 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.360 8.502 -17.753 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.213 7.647 -19.306 1.00 0.00 H new