USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 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 50 GLN :FLIP amide:sc= -0.588 F(o=-3.5,f=-1.5) USER MOD Set 1.2: A 56 THR OG1 : rot -130:sc= -0.874 USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= -0.452 F(o=-6.7,f=-5.2) USER MOD Set 2.2: A 85 THR OG1 : rot -58:sc= -1.43 USER MOD Set 2.3: A 97 GLN : amide:sc= -3.34! C(o=-5.2!,f=-6.9!) USER MOD Set 3.1: A 45 HIS : no HE2:sc= -7.04! C(o=-15!,f=-16!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -8.03! C(o=-15!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.113 F(o=-0.79,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.82 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 61 GLN : amide:sc= -7.15! C(o=-7.1!,f=-6.7!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0258) USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= 0.0132 (180deg=-0.534) USER MOD Single : A 82 CYS SG : rot -134:sc= 0.16 USER MOD Single : A 83 ASN : amide:sc= -11.1! C(o=-11!,f=-16!) USER MOD Single : A 89 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-4.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.69 K(o=-1.7,f=-7.8!) USER MOD Single : A 102 GLN :FLIP amide:sc= -2.7 F(o=-6.7!,f=-2.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.91 K(o=-0.91,f=-1.9!) USER MOD Single : A 107 CYS SG : rot 99:sc= -1.77 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -4.71! F(o=-7.4,f=-4.7!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.788 -12.559 -13.173 1.00 0.00 N ATOM 607 CA ASP A 42 0.304 -12.197 -11.843 1.00 0.00 C ATOM 608 C ASP A 42 0.874 -10.855 -11.394 1.00 0.00 C ATOM 609 O ASP A 42 1.594 -10.775 -10.399 1.00 0.00 O ATOM 610 CB ASP A 42 0.668 -13.286 -10.832 1.00 0.00 C ATOM 611 CG ASP A 42 -0.320 -13.364 -9.686 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.389 -12.399 -8.895 1.00 0.00 O ATOM 613 OD2 ASP A 42 -1.025 -14.389 -9.578 1.00 0.00 O ATOM 0 HA ASP A 42 -0.781 -12.105 -11.894 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.709 -14.250 -11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.665 -13.092 -10.436 1.00 0.00 H new ATOM 618 N TYR A 43 0.546 -9.803 -12.134 1.00 0.00 N ATOM 619 CA TYR A 43 1.023 -8.463 -11.814 1.00 0.00 C ATOM 620 C TYR A 43 0.404 -7.965 -10.512 1.00 0.00 C ATOM 621 O TYR A 43 -0.466 -8.619 -9.936 1.00 0.00 O ATOM 622 CB TYR A 43 0.688 -7.495 -12.950 1.00 0.00 C ATOM 623 CG TYR A 43 1.230 -7.912 -14.301 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.401 -8.656 -14.411 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.570 -7.554 -15.470 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.894 -9.030 -15.646 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.059 -7.924 -16.708 1.00 0.00 C ATOM 628 CZ TYR A 43 2.221 -8.662 -16.791 1.00 0.00 C ATOM 629 OH TYR A 43 2.711 -9.032 -18.023 1.00 0.00 O ATOM 0 H TYR A 43 -0.049 -9.852 -12.961 1.00 0.00 H new ATOM 0 HA TYR A 43 2.105 -8.509 -11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.395 -7.396 -13.020 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.083 -6.510 -12.701 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.933 -8.946 -13.517 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.341 -6.977 -15.410 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.803 -9.609 -15.714 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.534 -7.637 -17.607 1.00 0.00 H new ATOM 0 HH TYR A 43 2.118 -8.694 -18.726 1.00 0.00 H new ATOM 639 N ILE A 44 0.851 -6.798 -10.059 1.00 0.00 N ATOM 640 CA ILE A 44 0.332 -6.207 -8.831 1.00 0.00 C ATOM 641 C ILE A 44 -0.443 -4.929 -9.140 1.00 0.00 C ATOM 642 O ILE A 44 0.142 -3.861 -9.320 1.00 0.00 O ATOM 643 CB ILE A 44 1.461 -5.897 -7.823 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.223 -7.172 -7.449 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.895 -5.236 -6.574 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.327 -8.348 -7.126 1.00 0.00 C ATOM 0 H ILE A 44 1.570 -6.244 -10.523 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.337 -6.938 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 44 2.158 -5.207 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.882 -7.445 -8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.859 -6.965 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.705 -5.025 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.400 -4.304 -6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.175 -5.905 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.939 -9.213 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.686 -8.096 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.709 -8.584 -7.993 1.00 0.00 H new ATOM 658 N HIS A 45 -1.763 -5.055 -9.214 1.00 0.00 N ATOM 659 CA HIS A 45 -2.631 -3.923 -9.517 1.00 0.00 C ATOM 660 C HIS A 45 -2.681 -2.925 -8.363 1.00 0.00 C ATOM 661 O HIS A 45 -2.895 -3.297 -7.211 1.00 0.00 O ATOM 662 CB HIS A 45 -4.043 -4.420 -9.834 1.00 0.00 C ATOM 663 CG HIS A 45 -4.510 -4.071 -11.211 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.162 -4.797 -12.330 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.310 -3.069 -11.648 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.726 -4.257 -13.396 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.429 -3.208 -13.008 1.00 0.00 N ATOM 0 H HIS A 45 -2.258 -5.935 -9.067 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.218 -3.410 -10.385 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.073 -5.503 -9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.738 -4.000 -9.107 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.563 -5.622 -12.334 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.769 -2.304 -11.040 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.629 -4.613 -14.411 1.00 0.00 H new ATOM 676 N ILE A 46 -2.493 -1.654 -8.690 1.00 0.00 N ATOM 677 CA ILE A 46 -2.531 -0.586 -7.690 1.00 0.00 C ATOM 678 C ILE A 46 -3.957 -0.021 -7.562 1.00 0.00 C ATOM 679 O ILE A 46 -4.795 -0.628 -6.896 1.00 0.00 O ATOM 680 CB ILE A 46 -1.527 0.535 -8.032 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.114 -0.045 -8.135 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.579 1.646 -6.990 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.447 -0.528 -6.814 1.00 0.00 C ATOM 0 H ILE A 46 -2.312 -1.333 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.239 -1.011 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.801 0.967 -8.995 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.123 -0.876 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.551 0.715 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.863 2.425 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.582 2.071 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.329 1.238 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.450 -0.925 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.490 0.304 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.195 -1.311 -6.411 1.00 0.00 H new ATOM 695 N ARG A 47 -4.237 1.123 -8.212 1.00 0.00 N ATOM 696 CA ARG A 47 -5.568 1.742 -8.183 1.00 0.00 C ATOM 697 C ARG A 47 -5.704 2.780 -7.073 1.00 0.00 C ATOM 698 O ARG A 47 -5.383 2.523 -5.913 1.00 0.00 O ATOM 699 CB ARG A 47 -6.672 0.688 -8.042 1.00 0.00 C ATOM 700 CG ARG A 47 -8.034 1.167 -8.515 1.00 0.00 C ATOM 701 CD ARG A 47 -8.025 1.501 -9.997 1.00 0.00 C ATOM 702 NE ARG A 47 -9.376 1.564 -10.552 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.120 0.492 -10.811 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.651 -0.725 -10.572 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.339 0.639 -11.312 1.00 0.00 N ATOM 0 H ARG A 47 -3.552 1.638 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.684 2.254 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.391 -0.199 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.745 0.388 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.780 0.396 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.329 2.048 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.525 2.457 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.447 0.749 -10.535 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.771 2.483 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.714 -0.844 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.227 -1.542 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.705 1.573 -11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.911 -0.182 -11.511 1.00 0.00 H new ATOM 719 N ILE A 48 -6.203 3.951 -7.455 1.00 0.00 N ATOM 720 CA ILE A 48 -6.422 5.057 -6.524 1.00 0.00 C ATOM 721 C ILE A 48 -7.914 5.213 -6.239 1.00 0.00 C ATOM 722 O ILE A 48 -8.749 4.663 -6.956 1.00 0.00 O ATOM 723 CB ILE A 48 -5.860 6.388 -7.101 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.689 6.896 -6.258 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.939 7.464 -7.203 1.00 0.00 C ATOM 726 CD1 ILE A 48 -4.203 8.268 -6.680 1.00 0.00 C ATOM 0 H ILE A 48 -6.467 4.162 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.896 4.830 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.504 6.175 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.991 6.930 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.864 6.187 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.505 8.377 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.737 7.118 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.346 7.666 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.372 8.571 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.871 8.233 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.016 8.988 -6.583 1.00 0.00 H new ATOM 738 N GLN A 49 -8.246 5.985 -5.212 1.00 0.00 N ATOM 739 CA GLN A 49 -9.641 6.226 -4.874 1.00 0.00 C ATOM 740 C GLN A 49 -9.797 7.519 -4.077 1.00 0.00 C ATOM 741 O GLN A 49 -9.589 7.549 -2.864 1.00 0.00 O ATOM 742 CB GLN A 49 -10.232 5.039 -4.106 1.00 0.00 C ATOM 743 CG GLN A 49 -9.713 4.898 -2.684 1.00 0.00 C ATOM 744 CD GLN A 49 -9.842 3.482 -2.156 1.00 0.00 C ATOM 745 OE1 GLN A 49 -11.060 3.093 -1.795 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -8.859 2.745 -2.074 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.573 6.451 -4.603 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.196 6.336 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.317 5.143 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.015 4.122 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.666 5.201 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.262 5.577 -2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.941 3.085 -2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.962 1.795 -1.718 1.00 0.00 H new ATOM 755 N GLN A 50 -10.163 8.589 -4.775 1.00 0.00 N ATOM 756 CA GLN A 50 -10.349 9.891 -4.147 1.00 0.00 C ATOM 757 C GLN A 50 -11.826 10.161 -3.888 1.00 0.00 C ATOM 758 O GLN A 50 -12.538 10.661 -4.760 1.00 0.00 O ATOM 759 CB GLN A 50 -9.760 10.993 -5.033 1.00 0.00 C ATOM 760 CG GLN A 50 -9.061 12.099 -4.256 1.00 0.00 C ATOM 761 CD GLN A 50 -8.137 12.925 -5.130 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.062 13.432 -4.540 1.00 0.00 O flip ATOM 763 NE2 GLN A 50 -8.387 13.105 -6.322 1.00 0.00 N flip ATOM 0 H GLN A 50 -10.337 8.579 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.828 9.887 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.050 10.546 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.559 11.431 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.809 12.751 -3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.488 11.659 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.225 12.696 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.756 13.663 -6.897 1.00 0.00 H new ATOM 772 N ARG A 51 -12.281 9.830 -2.683 1.00 0.00 N ATOM 773 CA ARG A 51 -13.678 10.040 -2.309 1.00 0.00 C ATOM 774 C ARG A 51 -14.087 11.487 -2.560 1.00 0.00 C ATOM 775 O ARG A 51 -15.042 11.759 -3.286 1.00 0.00 O ATOM 776 CB ARG A 51 -13.894 9.679 -0.838 1.00 0.00 C ATOM 777 CG ARG A 51 -14.741 8.433 -0.636 1.00 0.00 C ATOM 778 CD ARG A 51 -13.891 7.235 -0.242 1.00 0.00 C ATOM 779 NE ARG A 51 -14.528 6.430 0.796 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.121 5.211 1.144 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.077 4.656 0.542 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.760 4.546 2.096 1.00 0.00 N ATOM 0 H ARG A 51 -11.705 9.416 -1.950 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.301 9.391 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.924 9.530 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.371 10.519 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.486 8.621 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.283 8.208 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.708 6.616 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.920 7.580 0.112 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.332 6.825 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.582 5.163 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.769 3.722 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.563 4.968 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.448 3.612 2.363 1.00 0.00 H new ATOM 796 N ASN A 52 -13.343 12.410 -1.963 1.00 0.00 N ATOM 797 CA ASN A 52 -13.608 13.833 -2.125 1.00 0.00 C ATOM 798 C ASN A 52 -12.577 14.445 -3.073 1.00 0.00 C ATOM 799 O ASN A 52 -12.052 13.759 -3.949 1.00 0.00 O ATOM 800 CB ASN A 52 -13.573 14.542 -0.764 1.00 0.00 C ATOM 801 CG ASN A 52 -14.104 13.679 0.364 1.00 0.00 C ATOM 802 OD1 ASN A 52 -13.350 13.603 1.454 1.00 0.00 O flip ATOM 803 ND2 ASN A 52 -15.179 13.088 0.257 1.00 0.00 N flip ATOM 0 H ASN A 52 -12.548 12.197 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.602 13.963 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.548 14.835 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.161 15.458 -0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.726 13.175 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.523 12.511 1.025 1.00 0.00 H new ATOM 810 N GLY A 53 -12.277 15.729 -2.892 1.00 0.00 N ATOM 811 CA GLY A 53 -11.299 16.381 -3.741 1.00 0.00 C ATOM 812 C GLY A 53 -9.897 16.304 -3.165 1.00 0.00 C ATOM 813 O GLY A 53 -9.120 17.252 -3.281 1.00 0.00 O ATOM 0 H GLY A 53 -12.692 16.325 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.310 15.918 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.577 17.426 -3.876 1.00 0.00 H new ATOM 817 N ARG A 54 -9.572 15.171 -2.541 1.00 0.00 N ATOM 818 CA ARG A 54 -8.253 14.976 -1.943 1.00 0.00 C ATOM 819 C ARG A 54 -8.174 13.658 -1.176 1.00 0.00 C ATOM 820 O ARG A 54 -7.101 13.066 -1.060 1.00 0.00 O ATOM 821 CB ARG A 54 -7.917 16.137 -1.004 1.00 0.00 C ATOM 822 CG ARG A 54 -9.049 16.499 -0.057 1.00 0.00 C ATOM 823 CD ARG A 54 -8.941 17.940 0.418 1.00 0.00 C ATOM 824 NE ARG A 54 -9.911 18.809 -0.245 1.00 0.00 N ATOM 825 CZ ARG A 54 -11.201 18.859 0.076 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.681 18.094 1.050 1.00 0.00 N ATOM 827 NH2 ARG A 54 -12.016 19.678 -0.577 1.00 0.00 N ATOM 0 H ARG A 54 -10.203 14.377 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.527 14.943 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.034 15.877 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.659 17.012 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.005 16.351 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.033 15.829 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.097 17.979 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.933 18.310 0.228 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.580 19.412 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.059 17.464 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.671 18.137 1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.653 20.269 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.005 19.716 -0.331 1.00 0.00 H new ATOM 841 N LYS A 55 -9.309 13.208 -0.643 1.00 0.00 N ATOM 842 CA LYS A 55 -9.358 11.964 0.120 1.00 0.00 C ATOM 843 C LYS A 55 -9.037 10.760 -0.764 1.00 0.00 C ATOM 844 O LYS A 55 -9.900 9.924 -1.035 1.00 0.00 O ATOM 845 CB LYS A 55 -10.737 11.795 0.767 1.00 0.00 C ATOM 846 CG LYS A 55 -10.738 12.029 2.270 1.00 0.00 C ATOM 847 CD LYS A 55 -10.108 13.367 2.631 1.00 0.00 C ATOM 848 CE LYS A 55 -8.756 13.184 3.301 1.00 0.00 C ATOM 849 NZ LYS A 55 -7.909 14.404 3.185 1.00 0.00 N ATOM 0 H LYS A 55 -10.206 13.687 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.601 12.017 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.436 12.489 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.103 10.789 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.762 11.996 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.193 11.225 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.990 13.970 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.774 13.916 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.902 12.942 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.238 12.338 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.996 14.239 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.748 14.621 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.391 15.206 3.639 1.00 0.00 H new ATOM 863 N THR A 56 -7.786 10.679 -1.207 1.00 0.00 N ATOM 864 CA THR A 56 -7.336 9.584 -2.057 1.00 0.00 C ATOM 865 C THR A 56 -6.858 8.405 -1.219 1.00 0.00 C ATOM 866 O THR A 56 -6.358 8.584 -0.108 1.00 0.00 O ATOM 867 CB THR A 56 -6.211 10.061 -2.976 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.257 11.467 -3.138 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.255 9.439 -4.354 1.00 0.00 C ATOM 0 H THR A 56 -7.062 11.364 -0.989 1.00 0.00 H new ATOM 0 HA THR A 56 -8.180 9.254 -2.663 1.00 0.00 H new ATOM 0 HB THR A 56 -5.289 9.749 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.222 11.688 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.429 9.822 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.169 8.356 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.200 9.690 -4.837 1.00 0.00 H new ATOM 877 N LEU A 57 -7.016 7.198 -1.754 1.00 0.00 N ATOM 878 CA LEU A 57 -6.603 5.990 -1.049 1.00 0.00 C ATOM 879 C LEU A 57 -6.067 4.942 -2.028 1.00 0.00 C ATOM 880 O LEU A 57 -6.808 4.074 -2.486 1.00 0.00 O ATOM 881 CB LEU A 57 -7.782 5.412 -0.264 1.00 0.00 C ATOM 882 CG LEU A 57 -7.732 5.649 1.246 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.968 7.116 1.566 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.753 4.773 1.956 1.00 0.00 C ATOM 0 H LEU A 57 -7.427 7.031 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.804 6.256 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.704 5.843 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.829 4.338 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.739 5.378 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.929 7.264 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.197 7.721 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.948 7.416 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.704 4.954 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.753 5.012 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.535 3.724 1.755 1.00 0.00 H new ATOM 896 N THR A 58 -4.779 5.027 -2.344 1.00 0.00 N ATOM 897 CA THR A 58 -4.155 4.084 -3.270 1.00 0.00 C ATOM 898 C THR A 58 -4.198 2.662 -2.721 1.00 0.00 C ATOM 899 O THR A 58 -3.697 2.394 -1.631 1.00 0.00 O ATOM 900 CB THR A 58 -2.708 4.492 -3.539 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.602 5.897 -3.677 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.129 3.862 -4.788 1.00 0.00 C ATOM 0 H THR A 58 -4.147 5.737 -1.974 1.00 0.00 H new ATOM 0 HA THR A 58 -4.717 4.107 -4.204 1.00 0.00 H new ATOM 0 HB THR A 58 -2.143 4.135 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.600 6.314 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.099 4.194 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.151 2.776 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.720 4.161 -5.654 1.00 0.00 H new ATOM 910 N THR A 59 -4.796 1.750 -3.482 1.00 0.00 N ATOM 911 CA THR A 59 -4.895 0.357 -3.060 1.00 0.00 C ATOM 912 C THR A 59 -3.830 -0.506 -3.732 1.00 0.00 C ATOM 913 O THR A 59 -3.181 -0.079 -4.688 1.00 0.00 O ATOM 914 CB THR A 59 -6.284 -0.204 -3.368 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.936 0.578 -4.352 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.185 -0.259 -2.154 1.00 0.00 C ATOM 0 H THR A 59 -5.217 1.949 -4.389 1.00 0.00 H new ATOM 0 HA THR A 59 -4.730 0.331 -1.983 1.00 0.00 H new ATOM 0 HB THR A 59 -6.114 -1.220 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.822 0.201 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.155 -0.666 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.733 -0.896 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.317 0.746 -1.753 1.00 0.00 H new ATOM 924 N VAL A 60 -3.661 -1.722 -3.224 1.00 0.00 N ATOM 925 CA VAL A 60 -2.682 -2.656 -3.769 1.00 0.00 C ATOM 926 C VAL A 60 -3.264 -4.061 -3.869 1.00 0.00 C ATOM 927 O VAL A 60 -3.583 -4.685 -2.857 1.00 0.00 O ATOM 928 CB VAL A 60 -1.406 -2.700 -2.907 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.369 -3.630 -3.520 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.840 -1.301 -2.732 1.00 0.00 C ATOM 0 H VAL A 60 -4.192 -2.085 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.424 -2.300 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.668 -3.092 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.523 -3.644 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.780 -4.637 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.106 -3.276 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.061 -1.347 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.595 -0.883 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.579 -0.668 -2.241 1.00 0.00 H new ATOM 940 N GLN A 61 -3.398 -4.555 -5.094 1.00 0.00 N ATOM 941 CA GLN A 61 -3.939 -5.890 -5.327 1.00 0.00 C ATOM 942 C GLN A 61 -2.891 -6.789 -5.974 1.00 0.00 C ATOM 943 O GLN A 61 -2.127 -6.349 -6.833 1.00 0.00 O ATOM 944 CB GLN A 61 -5.196 -5.832 -6.208 1.00 0.00 C ATOM 945 CG GLN A 61 -5.667 -4.420 -6.534 1.00 0.00 C ATOM 946 CD GLN A 61 -7.041 -4.386 -7.181 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.789 -3.424 -7.013 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.381 -5.434 -7.927 1.00 0.00 N ATOM 0 H GLN A 61 -3.139 -4.051 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.216 -6.309 -4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.997 -6.361 -7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.003 -6.365 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.688 -3.830 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.946 -3.947 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.731 -6.212 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.292 -5.460 -8.385 1.00 0.00 H new ATOM 957 N GLY A 62 -2.861 -8.047 -5.553 1.00 0.00 N ATOM 958 CA GLY A 62 -1.902 -8.990 -6.096 1.00 0.00 C ATOM 959 C GLY A 62 -0.890 -9.434 -5.061 1.00 0.00 C ATOM 960 O GLY A 62 -0.386 -10.556 -5.115 1.00 0.00 O ATOM 0 H GLY A 62 -3.485 -8.432 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.430 -9.861 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.382 -8.533 -6.938 1.00 0.00 H new ATOM 964 N ILE A 63 -0.595 -8.549 -4.117 1.00 0.00 N ATOM 965 CA ILE A 63 0.360 -8.843 -3.058 1.00 0.00 C ATOM 966 C ILE A 63 -0.098 -10.033 -2.221 1.00 0.00 C ATOM 967 O ILE A 63 -1.293 -10.233 -2.006 1.00 0.00 O ATOM 968 CB ILE A 63 0.575 -7.607 -2.148 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.338 -6.504 -2.900 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.306 -7.981 -0.865 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.349 -7.015 -3.907 1.00 0.00 C ATOM 0 H ILE A 63 -1.006 -7.617 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 63 1.308 -9.097 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.408 -7.225 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.618 -5.869 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.853 -5.876 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.440 -7.091 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.721 -8.718 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.281 -8.402 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.840 -6.170 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.095 -7.625 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.840 -7.618 -4.659 1.00 0.00 H new ATOM 983 N ALA A 64 0.866 -10.818 -1.754 1.00 0.00 N ATOM 984 CA ALA A 64 0.572 -11.991 -0.941 1.00 0.00 C ATOM 985 C ALA A 64 0.293 -11.601 0.505 1.00 0.00 C ATOM 986 O ALA A 64 0.847 -10.627 1.014 1.00 0.00 O ATOM 987 CB ALA A 64 1.724 -12.981 -1.010 1.00 0.00 C ATOM 0 H ALA A 64 1.859 -10.663 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.325 -12.465 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.492 -13.853 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.875 -13.293 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.633 -12.508 -0.638 1.00 0.00 H new ATOM 993 N ASP A 65 -0.568 -12.370 1.162 1.00 0.00 N ATOM 994 CA ASP A 65 -0.920 -12.108 2.553 1.00 0.00 C ATOM 995 C ASP A 65 0.217 -12.504 3.495 1.00 0.00 C ATOM 996 O ASP A 65 0.157 -12.238 4.695 1.00 0.00 O ATOM 997 CB ASP A 65 -2.193 -12.868 2.928 1.00 0.00 C ATOM 998 CG ASP A 65 -2.028 -14.370 2.802 1.00 0.00 C ATOM 999 OD1 ASP A 65 -1.190 -14.939 3.531 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -2.739 -14.978 1.974 1.00 0.00 O ATOM 0 H ASP A 65 -1.035 -13.180 0.754 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.095 -11.037 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.472 -12.621 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.011 -12.540 2.287 1.00 0.00 H new ATOM 1005 N ASP A 66 1.250 -13.143 2.948 1.00 0.00 N ATOM 1006 CA ASP A 66 2.389 -13.572 3.748 1.00 0.00 C ATOM 1007 C ASP A 66 3.515 -12.541 3.712 1.00 0.00 C ATOM 1008 O ASP A 66 4.677 -12.874 3.947 1.00 0.00 O ATOM 1009 CB ASP A 66 2.907 -14.923 3.249 1.00 0.00 C ATOM 1010 CG ASP A 66 3.935 -15.529 4.184 1.00 0.00 C ATOM 1011 OD1 ASP A 66 3.533 -16.098 5.221 1.00 0.00 O ATOM 1012 OD2 ASP A 66 5.142 -15.434 3.879 1.00 0.00 O ATOM 0 H ASP A 66 1.319 -13.373 1.957 1.00 0.00 H new ATOM 0 HA ASP A 66 2.052 -13.672 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.070 -15.612 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.349 -14.797 2.260 1.00 0.00 H new ATOM 1017 N TYR A 67 3.170 -11.289 3.420 1.00 0.00 N ATOM 1018 CA TYR A 67 4.163 -10.222 3.359 1.00 0.00 C ATOM 1019 C TYR A 67 4.358 -9.562 4.724 1.00 0.00 C ATOM 1020 O TYR A 67 4.815 -8.423 4.809 1.00 0.00 O ATOM 1021 CB TYR A 67 3.738 -9.169 2.337 1.00 0.00 C ATOM 1022 CG TYR A 67 3.976 -9.571 0.897 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.136 -10.903 0.530 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.039 -8.607 -0.096 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.352 -11.258 -0.788 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.253 -8.951 -1.415 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.409 -10.279 -1.757 1.00 0.00 C ATOM 1028 OH TYR A 67 4.623 -10.627 -3.071 1.00 0.00 O ATOM 0 H TYR A 67 2.215 -10.990 3.223 1.00 0.00 H new ATOM 0 HA TYR A 67 5.111 -10.666 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.678 -8.955 2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.279 -8.244 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.091 -11.672 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.918 -7.567 0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.475 -12.297 -1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.298 -8.185 -2.175 1.00 0.00 H new ATOM 0 HH TYR A 67 4.634 -9.819 -3.626 1.00 0.00 H new ATOM 1038 N ASP A 68 4.009 -10.285 5.789 1.00 0.00 N ATOM 1039 CA ASP A 68 4.147 -9.778 7.155 1.00 0.00 C ATOM 1040 C ASP A 68 3.015 -8.816 7.526 1.00 0.00 C ATOM 1041 O ASP A 68 2.818 -8.515 8.702 1.00 0.00 O ATOM 1042 CB ASP A 68 5.498 -9.087 7.335 1.00 0.00 C ATOM 1043 CG ASP A 68 6.001 -9.163 8.764 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.402 -8.504 9.640 1.00 0.00 O ATOM 1045 OD2 ASP A 68 6.993 -9.882 9.007 1.00 0.00 O ATOM 0 H ASP A 68 3.627 -11.229 5.731 1.00 0.00 H new ATOM 0 HA ASP A 68 4.088 -10.636 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.229 -9.547 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.411 -8.042 7.039 1.00 0.00 H new ATOM 1050 N LYS A 69 2.271 -8.340 6.526 1.00 0.00 N ATOM 1051 CA LYS A 69 1.165 -7.419 6.767 1.00 0.00 C ATOM 1052 C LYS A 69 1.662 -6.107 7.372 1.00 0.00 C ATOM 1053 O LYS A 69 1.751 -5.089 6.684 1.00 0.00 O ATOM 1054 CB LYS A 69 0.126 -8.066 7.688 1.00 0.00 C ATOM 1055 CG LYS A 69 -1.041 -7.154 8.030 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.083 -7.877 8.870 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.480 -7.335 8.614 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.471 -8.426 8.411 1.00 0.00 N ATOM 0 H LYS A 69 2.416 -8.578 5.545 1.00 0.00 H new ATOM 0 HA LYS A 69 0.698 -7.194 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.257 -8.968 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.615 -8.377 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.676 -6.282 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.501 -6.789 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.058 -8.943 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.838 -7.770 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.789 -6.716 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.464 -6.691 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.410 -8.014 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.191 -9.002 7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.506 -9.026 9.260 1.00 0.00 H new ATOM 1072 N LYS A 70 1.983 -6.137 8.663 1.00 0.00 N ATOM 1073 CA LYS A 70 2.468 -4.952 9.362 1.00 0.00 C ATOM 1074 C LYS A 70 3.654 -4.327 8.632 1.00 0.00 C ATOM 1075 O LYS A 70 3.605 -3.165 8.235 1.00 0.00 O ATOM 1076 CB LYS A 70 2.867 -5.307 10.796 1.00 0.00 C ATOM 1077 CG LYS A 70 1.694 -5.345 11.762 1.00 0.00 C ATOM 1078 CD LYS A 70 2.033 -4.672 13.083 1.00 0.00 C ATOM 1079 CE LYS A 70 2.810 -5.602 14.002 1.00 0.00 C ATOM 1080 NZ LYS A 70 1.993 -6.040 15.168 1.00 0.00 N ATOM 0 H LYS A 70 1.916 -6.971 9.246 1.00 0.00 H new ATOM 0 HA LYS A 70 1.658 -4.223 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.360 -6.279 10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.597 -4.580 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.834 -4.849 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.406 -6.380 11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.619 -3.773 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.114 -4.355 13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.139 -6.476 13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.707 -5.095 14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.558 -6.672 15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.700 -5.208 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.149 -6.546 14.830 1.00 0.00 H new ATOM 1094 N LYS A 71 4.719 -5.104 8.462 1.00 0.00 N ATOM 1095 CA LYS A 71 5.919 -4.622 7.783 1.00 0.00 C ATOM 1096 C LYS A 71 5.588 -4.042 6.407 1.00 0.00 C ATOM 1097 O LYS A 71 6.333 -3.219 5.876 1.00 0.00 O ATOM 1098 CB LYS A 71 6.940 -5.754 7.643 1.00 0.00 C ATOM 1099 CG LYS A 71 8.236 -5.500 8.393 1.00 0.00 C ATOM 1100 CD LYS A 71 9.132 -6.729 8.393 1.00 0.00 C ATOM 1101 CE LYS A 71 10.105 -6.707 7.225 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.991 -7.905 7.220 1.00 0.00 N ATOM 0 H LYS A 71 4.777 -6.070 8.785 1.00 0.00 H new ATOM 0 HA LYS A 71 6.347 -3.825 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.495 -6.680 8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.164 -5.901 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.764 -4.664 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.012 -5.212 9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.687 -6.776 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.518 -7.628 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.548 -6.663 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.714 -5.805 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.640 -7.853 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.541 -7.934 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.411 -8.765 7.145 1.00 0.00 H new ATOM 1116 N LEU A 72 4.471 -4.479 5.833 1.00 0.00 N ATOM 1117 CA LEU A 72 4.052 -4.003 4.519 1.00 0.00 C ATOM 1118 C LEU A 72 3.681 -2.522 4.560 1.00 0.00 C ATOM 1119 O LEU A 72 4.256 -1.710 3.834 1.00 0.00 O ATOM 1120 CB LEU A 72 2.866 -4.824 4.008 1.00 0.00 C ATOM 1121 CG LEU A 72 2.746 -4.913 2.484 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.445 -5.595 2.091 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.831 -3.527 1.861 1.00 0.00 C ATOM 0 H LEU A 72 3.841 -5.160 6.256 1.00 0.00 H new ATOM 0 HA LEU A 72 4.893 -4.126 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.943 -5.834 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.947 -4.392 4.405 1.00 0.00 H new ATOM 0 HG LEU A 72 3.576 -5.511 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.377 -5.650 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.422 -6.602 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.602 -5.023 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.744 -3.609 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.021 -2.906 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.789 -3.072 2.115 1.00 0.00 H new ATOM 1135 N VAL A 73 2.717 -2.176 5.408 1.00 0.00 N ATOM 1136 CA VAL A 73 2.272 -0.789 5.533 1.00 0.00 C ATOM 1137 C VAL A 73 3.113 -0.022 6.549 1.00 0.00 C ATOM 1138 O VAL A 73 3.281 1.193 6.440 1.00 0.00 O ATOM 1139 CB VAL A 73 0.787 -0.697 5.941 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.115 -0.900 4.733 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.464 -1.703 7.036 1.00 0.00 C ATOM 0 H VAL A 73 2.230 -2.833 6.017 1.00 0.00 H new ATOM 0 HA VAL A 73 2.397 -0.339 4.548 1.00 0.00 H new ATOM 0 HB VAL A 73 0.603 0.302 6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.158 -0.831 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.094 -0.131 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.071 -1.883 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.588 -1.620 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.667 -2.711 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.082 -1.499 7.911 1.00 0.00 H new ATOM 1151 N LYS A 74 3.637 -0.737 7.540 1.00 0.00 N ATOM 1152 CA LYS A 74 4.460 -0.122 8.579 1.00 0.00 C ATOM 1153 C LYS A 74 5.631 0.643 7.972 1.00 0.00 C ATOM 1154 O LYS A 74 5.939 1.760 8.391 1.00 0.00 O ATOM 1155 CB LYS A 74 4.980 -1.190 9.544 1.00 0.00 C ATOM 1156 CG LYS A 74 5.712 -0.618 10.748 1.00 0.00 C ATOM 1157 CD LYS A 74 4.798 -0.519 11.959 1.00 0.00 C ATOM 1158 CE LYS A 74 5.063 0.748 12.759 1.00 0.00 C ATOM 1159 NZ LYS A 74 5.636 0.449 14.100 1.00 0.00 N ATOM 0 H LYS A 74 3.507 -1.743 7.646 1.00 0.00 H new ATOM 0 HA LYS A 74 3.837 0.584 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.141 -1.793 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.651 -1.859 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.569 -1.248 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.102 0.370 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.758 -0.533 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.944 -1.390 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.749 1.389 12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.133 1.304 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.802 1.338 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.970 -0.142 14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.537 -0.059 13.987 1.00 0.00 H new ATOM 1173 N ALA A 75 6.281 0.038 6.984 1.00 0.00 N ATOM 1174 CA ALA A 75 7.417 0.663 6.321 1.00 0.00 C ATOM 1175 C ALA A 75 6.968 1.838 5.458 1.00 0.00 C ATOM 1176 O ALA A 75 7.705 2.810 5.282 1.00 0.00 O ATOM 1177 CB ALA A 75 8.165 -0.359 5.480 1.00 0.00 C ATOM 0 H ALA A 75 6.039 -0.886 6.625 1.00 0.00 H new ATOM 0 HA ALA A 75 8.090 1.046 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.012 0.122 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.526 -1.163 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.495 -0.770 4.725 1.00 0.00 H new ATOM 1183 N PHE A 76 5.754 1.744 4.925 1.00 0.00 N ATOM 1184 CA PHE A 76 5.204 2.801 4.084 1.00 0.00 C ATOM 1185 C PHE A 76 5.024 4.089 4.879 1.00 0.00 C ATOM 1186 O PHE A 76 5.413 5.168 4.432 1.00 0.00 O ATOM 1187 CB PHE A 76 3.862 2.363 3.493 1.00 0.00 C ATOM 1188 CG PHE A 76 3.541 3.020 2.181 1.00 0.00 C ATOM 1189 CD1 PHE A 76 2.866 4.230 2.143 1.00 0.00 C ATOM 1190 CD2 PHE A 76 3.916 2.428 0.985 1.00 0.00 C ATOM 1191 CE1 PHE A 76 2.571 4.835 0.936 1.00 0.00 C ATOM 1192 CE2 PHE A 76 3.624 3.029 -0.222 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.952 4.234 -0.248 1.00 0.00 C ATOM 0 H PHE A 76 5.132 0.947 5.061 1.00 0.00 H new ATOM 0 HA PHE A 76 5.908 2.990 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.870 1.282 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.069 2.588 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.568 4.705 3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.443 1.485 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.043 5.777 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.921 2.556 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.724 4.706 -1.192 1.00 0.00 H new ATOM 1203 N LYS A 77 4.431 3.967 6.062 1.00 0.00 N ATOM 1204 CA LYS A 77 4.196 5.119 6.925 1.00 0.00 C ATOM 1205 C LYS A 77 5.511 5.731 7.407 1.00 0.00 C ATOM 1206 O LYS A 77 5.529 6.844 7.933 1.00 0.00 O ATOM 1207 CB LYS A 77 3.342 4.709 8.124 1.00 0.00 C ATOM 1208 CG LYS A 77 2.045 4.018 7.738 1.00 0.00 C ATOM 1209 CD LYS A 77 1.930 2.643 8.377 1.00 0.00 C ATOM 1210 CE LYS A 77 1.259 2.715 9.739 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.415 1.518 10.007 1.00 0.00 N ATOM 0 H LYS A 77 4.104 3.080 6.446 1.00 0.00 H new ATOM 0 HA LYS A 77 3.666 5.873 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.923 4.043 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.110 5.595 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.199 4.634 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.993 3.921 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.359 1.984 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.923 2.206 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.020 2.803 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.643 3.613 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.025 1.606 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.327 1.447 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.007 0.663 9.981 1.00 0.00 H new ATOM 1225 N LYS A 78 6.610 5.003 7.231 1.00 0.00 N ATOM 1226 CA LYS A 78 7.920 5.485 7.653 1.00 0.00 C ATOM 1227 C LYS A 78 8.716 6.035 6.471 1.00 0.00 C ATOM 1228 O LYS A 78 9.674 6.786 6.656 1.00 0.00 O ATOM 1229 CB LYS A 78 8.705 4.356 8.321 1.00 0.00 C ATOM 1230 CG LYS A 78 9.867 4.842 9.173 1.00 0.00 C ATOM 1231 CD LYS A 78 9.420 5.173 10.587 1.00 0.00 C ATOM 1232 CE LYS A 78 10.462 4.760 11.613 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.498 3.283 11.803 1.00 0.00 N ATOM 0 H LYS A 78 6.619 4.079 6.800 1.00 0.00 H new ATOM 0 HA LYS A 78 7.765 6.294 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.027 3.773 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.086 3.685 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.642 4.076 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.311 5.725 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.232 6.244 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.478 4.667 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.444 5.109 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.245 5.244 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.094 3.053 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.533 2.930 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.892 2.833 10.952 1.00 0.00 H new ATOM 1247 N LYS A 79 8.323 5.651 5.260 1.00 0.00 N ATOM 1248 CA LYS A 79 9.014 6.102 4.057 1.00 0.00 C ATOM 1249 C LYS A 79 8.297 7.283 3.406 1.00 0.00 C ATOM 1250 O LYS A 79 8.939 8.193 2.881 1.00 0.00 O ATOM 1251 CB LYS A 79 9.135 4.953 3.055 1.00 0.00 C ATOM 1252 CG LYS A 79 10.213 5.175 2.004 1.00 0.00 C ATOM 1253 CD LYS A 79 9.724 4.800 0.614 1.00 0.00 C ATOM 1254 CE LYS A 79 10.881 4.442 -0.306 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.595 5.653 -0.797 1.00 0.00 N ATOM 0 H LYS A 79 7.532 5.031 5.086 1.00 0.00 H new ATOM 0 HA LYS A 79 10.010 6.433 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.350 4.031 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.176 4.814 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.521 6.221 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.093 4.582 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.039 3.955 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.163 5.632 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.582 3.798 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.506 3.872 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.602 5.431 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.182 5.957 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.501 6.418 -0.099 1.00 0.00 H new ATOM 1269 N PHE A 80 6.970 7.259 3.429 1.00 0.00 N ATOM 1270 CA PHE A 80 6.179 8.329 2.824 1.00 0.00 C ATOM 1271 C PHE A 80 5.387 9.109 3.870 1.00 0.00 C ATOM 1272 O PHE A 80 4.935 10.224 3.609 1.00 0.00 O ATOM 1273 CB PHE A 80 5.224 7.752 1.776 1.00 0.00 C ATOM 1274 CG PHE A 80 5.857 6.710 0.898 1.00 0.00 C ATOM 1275 CD1 PHE A 80 5.857 5.377 1.275 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.454 7.064 -0.300 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.440 4.416 0.472 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.039 6.107 -1.108 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.032 4.781 -0.721 1.00 0.00 C ATOM 0 H PHE A 80 6.419 6.515 3.857 1.00 0.00 H new ATOM 0 HA PHE A 80 6.874 9.019 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.363 7.315 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.849 8.563 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.396 5.086 2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.463 8.100 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.433 3.380 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.501 6.396 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.489 4.031 -1.350 1.00 0.00 H new ATOM 1289 N ALA A 81 5.215 8.523 5.053 1.00 0.00 N ATOM 1290 CA ALA A 81 4.470 9.175 6.126 1.00 0.00 C ATOM 1291 C ALA A 81 2.976 9.169 5.830 1.00 0.00 C ATOM 1292 O ALA A 81 2.257 10.103 6.188 1.00 0.00 O ATOM 1293 CB ALA A 81 4.965 10.601 6.334 1.00 0.00 C ATOM 0 H ALA A 81 5.580 7.601 5.292 1.00 0.00 H new ATOM 0 HA ALA A 81 4.639 8.613 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.397 11.070 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.022 10.584 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.830 11.171 5.415 1.00 0.00 H new ATOM 1299 N CYS A 82 2.515 8.107 5.177 1.00 0.00 N ATOM 1300 CA CYS A 82 1.104 7.971 4.834 1.00 0.00 C ATOM 1301 C CYS A 82 0.445 6.897 5.691 1.00 0.00 C ATOM 1302 O CYS A 82 1.101 6.269 6.521 1.00 0.00 O ATOM 1303 CB CYS A 82 0.950 7.626 3.352 1.00 0.00 C ATOM 1304 SG CYS A 82 1.119 9.042 2.241 1.00 0.00 S ATOM 0 H CYS A 82 3.099 7.327 4.875 1.00 0.00 H new ATOM 0 HA CYS A 82 0.610 8.923 5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.696 6.878 3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.028 7.171 3.196 1.00 0.00 H new ATOM 0 HG CYS A 82 0.160 9.022 1.364 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.851 6.686 5.487 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.581 5.681 6.244 1.00 0.00 C ATOM 1312 C ASN A 83 -1.759 4.412 5.412 1.00 0.00 C ATOM 1313 O ASN A 83 -2.384 4.433 4.352 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.935 6.247 6.719 1.00 0.00 C ATOM 1315 CG ASN A 83 -4.133 5.698 5.960 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.816 6.429 5.242 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -4.401 4.410 6.125 1.00 0.00 N ATOM 0 H ASN A 83 -1.414 7.196 4.806 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.005 5.415 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.058 6.027 7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.920 7.332 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.199 3.990 5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.810 3.839 6.729 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.199 3.311 5.900 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.304 2.050 5.189 1.00 0.00 C ATOM 1326 C GLY A 84 -2.282 1.099 5.848 1.00 0.00 C ATOM 1327 O GLY A 84 -1.993 0.534 6.903 1.00 0.00 O ATOM 0 H GLY A 84 -0.675 3.269 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.620 2.239 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.322 1.581 5.139 1.00 0.00 H new ATOM 1331 N THR A 85 -3.444 0.925 5.228 1.00 0.00 N ATOM 1332 CA THR A 85 -4.469 0.037 5.769 1.00 0.00 C ATOM 1333 C THR A 85 -4.530 -1.275 4.992 1.00 0.00 C ATOM 1334 O THR A 85 -4.119 -1.341 3.835 1.00 0.00 O ATOM 1335 CB THR A 85 -5.834 0.722 5.746 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.122 1.224 4.455 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.941 1.876 6.720 1.00 0.00 C ATOM 0 H THR A 85 -3.700 1.384 4.354 1.00 0.00 H new ATOM 0 HA THR A 85 -4.202 -0.190 6.801 1.00 0.00 H new ATOM 0 HB THR A 85 -6.548 -0.048 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.418 1.849 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.935 2.318 6.653 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.773 1.513 7.734 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.192 2.629 6.476 1.00 0.00 H new ATOM 1345 N VAL A 86 -5.043 -2.317 5.638 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.156 -3.631 5.014 1.00 0.00 C ATOM 1347 C VAL A 86 -6.619 -4.053 4.880 1.00 0.00 C ATOM 1348 O VAL A 86 -7.085 -4.952 5.581 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.390 -4.694 5.825 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.948 -4.802 7.237 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.431 -6.043 5.119 1.00 0.00 C ATOM 0 H VAL A 86 -5.388 -2.277 6.597 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.717 -3.556 4.019 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.348 -4.382 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.392 -5.558 7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.853 -3.840 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.000 -5.085 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.884 -6.779 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.467 -6.364 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.971 -5.953 4.135 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.340 -3.397 3.977 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.749 -3.702 3.755 1.00 0.00 C ATOM 1363 C ILE A 87 -8.916 -4.911 2.841 1.00 0.00 C ATOM 1364 O ILE A 87 -8.087 -5.163 1.968 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.495 -2.507 3.133 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.851 -2.112 1.800 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.507 -1.328 4.094 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.852 -1.916 0.681 1.00 0.00 C ATOM 0 H ILE A 87 -6.972 -2.651 3.387 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.176 -3.923 4.733 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.527 -2.803 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.286 -1.190 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.137 -2.882 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.038 -0.492 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.009 -1.617 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.483 -1.029 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.327 -1.638 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.400 -2.844 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.551 -1.125 0.953 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.002 -5.651 3.041 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.284 -6.826 2.230 1.00 0.00 C ATOM 1382 C GLU A 88 -11.376 -6.522 1.210 1.00 0.00 C ATOM 1383 O GLU A 88 -12.517 -6.962 1.353 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.706 -7.997 3.116 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.469 -9.353 2.475 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.323 -10.446 3.086 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.719 -10.302 4.262 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.597 -11.445 2.389 1.00 0.00 O ATOM 0 H GLU A 88 -10.700 -5.456 3.758 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.374 -7.100 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.158 -7.947 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.764 -7.897 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.679 -9.287 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.417 -9.620 2.577 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.017 -5.760 0.183 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.960 -5.386 -0.861 1.00 0.00 C ATOM 1397 C HIS A 89 -12.567 -6.622 -1.522 1.00 0.00 C ATOM 1398 O HIS A 89 -11.861 -7.587 -1.814 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.262 -4.524 -1.915 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.151 -3.489 -2.526 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.677 -3.604 -3.794 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.612 -2.314 -2.036 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.422 -2.546 -4.059 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.399 -1.748 -3.008 1.00 0.00 N ATOM 0 H HIS A 89 -10.076 -5.389 0.052 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.765 -4.813 -0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.404 -4.030 -1.458 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.876 -5.170 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.400 -1.899 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.958 -2.365 -4.979 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.887 -0.856 -2.931 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.889 -6.612 -1.770 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.581 -7.738 -2.401 1.00 0.00 C ATOM 1415 C PRO A 90 -14.374 -7.770 -3.913 1.00 0.00 C ATOM 1416 O PRO A 90 -14.545 -8.808 -4.551 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.046 -7.470 -2.067 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.142 -5.986 -1.983 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.814 -5.503 -1.457 1.00 0.00 C ATOM 0 HA PRO A 90 -14.214 -8.701 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.708 -7.868 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.331 -7.940 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.352 -5.554 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.954 -5.686 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.505 -4.576 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.855 -5.306 -0.386 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.004 -6.625 -4.479 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.772 -6.517 -5.913 1.00 0.00 C ATOM 1429 C GLU A 91 -12.399 -7.069 -6.289 1.00 0.00 C ATOM 1430 O GLU A 91 -12.173 -7.472 -7.429 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.892 -5.058 -6.357 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.959 -4.827 -7.416 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.441 -5.048 -8.823 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.462 -5.807 -8.983 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -15.013 -4.462 -9.765 1.00 0.00 O ATOM 0 H GLU A 91 -13.858 -5.757 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.529 -7.110 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.116 -4.440 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.929 -4.725 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.799 -5.497 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.338 -3.809 -7.328 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.482 -7.077 -5.324 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.130 -7.573 -5.559 1.00 0.00 C ATOM 1444 C TYR A 92 -9.808 -8.746 -4.640 1.00 0.00 C ATOM 1445 O TYR A 92 -9.332 -9.788 -5.088 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.109 -6.452 -5.348 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.623 -5.085 -5.741 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.308 -4.900 -6.934 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.429 -3.983 -4.917 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.785 -3.657 -7.298 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.903 -2.735 -5.273 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.580 -2.577 -6.465 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.054 -1.336 -6.823 1.00 0.00 O ATOM 0 H TYR A 92 -11.651 -6.746 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.075 -7.920 -6.591 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.814 -6.433 -4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.213 -6.674 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.471 -5.743 -7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.899 -4.104 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.316 -3.531 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.745 -1.888 -4.622 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.827 -0.685 -6.126 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.071 -8.568 -3.350 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.802 -9.619 -2.386 1.00 0.00 C ATOM 1465 C GLY A 93 -8.497 -9.406 -1.645 1.00 0.00 C ATOM 1466 O GLY A 93 -7.428 -9.764 -2.142 1.00 0.00 O ATOM 0 H GLY A 93 -10.466 -7.715 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.620 -9.667 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.772 -10.580 -2.900 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.583 -8.824 -0.453 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.400 -8.564 0.360 1.00 0.00 C ATOM 1472 C GLU A 94 -6.446 -7.607 -0.351 1.00 0.00 C ATOM 1473 O GLU A 94 -5.574 -8.033 -1.108 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.679 -9.874 0.683 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.051 -9.896 2.068 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.944 -10.925 2.188 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.934 -11.883 1.387 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -4.088 -10.774 3.084 1.00 0.00 O ATOM 0 H GLU A 94 -9.460 -8.523 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.726 -8.097 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.387 -10.699 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.902 -10.045 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.651 -8.908 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.821 -10.108 2.809 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.618 -6.312 -0.100 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.771 -5.296 -0.713 1.00 0.00 C ATOM 1487 C VAL A 95 -5.379 -4.227 0.301 1.00 0.00 C ATOM 1488 O VAL A 95 -6.170 -3.861 1.169 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.475 -4.621 -1.906 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.651 -5.608 -3.050 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.815 -4.044 -1.478 1.00 0.00 C ATOM 0 H VAL A 95 -7.336 -5.943 0.523 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.875 -5.804 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.849 -3.801 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.150 -5.114 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.674 -5.968 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.255 -6.451 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.298 -3.571 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.451 -4.844 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.658 -3.303 -0.695 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.154 -3.728 0.185 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.663 -2.698 1.092 1.00 0.00 C ATOM 1503 C ILE A 96 -4.120 -1.320 0.627 1.00 0.00 C ATOM 1504 O ILE A 96 -3.926 -0.949 -0.528 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.120 -2.749 1.212 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.724 -3.685 2.359 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.523 -1.359 1.412 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.929 -3.093 3.738 1.00 0.00 C ATOM 0 H ILE A 96 -3.484 -4.019 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.081 -2.889 2.080 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.716 -3.137 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.304 -4.605 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.675 -3.959 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.439 -1.437 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.780 -0.727 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.923 -0.919 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.625 -3.817 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.328 -2.189 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.982 -2.845 3.875 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.735 -0.572 1.537 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.235 0.761 1.223 1.00 0.00 C ATOM 1522 C GLN A 97 -4.307 1.844 1.763 1.00 0.00 C ATOM 1523 O GLN A 97 -4.276 2.107 2.965 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.642 0.948 1.801 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.729 1.073 0.746 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.080 1.421 1.343 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.175 1.811 2.506 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.133 1.281 0.545 1.00 0.00 N ATOM 0 H GLN A 97 -4.899 -0.867 2.499 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.273 0.855 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.873 0.103 2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.652 1.841 2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.445 1.840 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.808 0.134 0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.007 0.954 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.067 1.500 0.890 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.568 2.481 0.864 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.656 3.552 1.242 1.00 0.00 C ATOM 1539 C LEU A 98 -3.380 4.890 1.194 1.00 0.00 C ATOM 1540 O LEU A 98 -4.419 5.013 0.550 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.446 3.575 0.312 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.709 2.243 0.178 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.012 2.165 -1.158 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.270 2.061 1.329 1.00 0.00 C ATOM 0 H LEU A 98 -3.583 2.274 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.307 3.373 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.773 3.893 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.744 4.327 0.672 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.441 1.436 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.531 1.210 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.712 2.251 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.735 2.978 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.787 1.108 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.998 2.872 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.273 2.073 2.274 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.840 5.884 1.884 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.456 7.207 1.921 1.00 0.00 C ATOM 1558 C GLN A 99 -2.865 8.125 0.857 1.00 0.00 C ATOM 1559 O GLN A 99 -1.662 8.100 0.596 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.272 7.832 3.303 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.455 8.668 3.762 1.00 0.00 C ATOM 1562 CD GLN A 99 -4.386 10.098 3.265 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -3.586 10.424 2.388 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.224 10.960 3.826 1.00 0.00 N ATOM 0 H GLN A 99 -1.979 5.802 2.425 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.519 7.087 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.096 7.039 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.380 8.458 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.378 8.209 3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.495 8.667 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.870 10.646 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.222 11.937 3.534 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.722 8.943 0.252 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.272 9.869 -0.771 1.00 0.00 C ATOM 1575 C GLY A 100 -2.947 9.178 -2.079 1.00 0.00 C ATOM 1576 O GLY A 100 -3.080 7.959 -2.195 1.00 0.00 O ATOM 0 H GLY A 100 -4.721 8.980 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.044 10.619 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.388 10.398 -0.414 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.517 9.956 -3.067 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.170 9.409 -4.371 1.00 0.00 C ATOM 1582 C ASP A 101 -0.768 8.814 -4.350 1.00 0.00 C ATOM 1583 O ASP A 101 0.216 9.501 -4.624 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.263 10.492 -5.448 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.379 11.686 -5.144 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.999 11.859 -3.967 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -1.066 12.446 -6.083 1.00 0.00 O ATOM 0 H ASP A 101 -2.401 10.966 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.881 8.617 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.978 10.068 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.298 10.823 -5.539 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.688 7.531 -4.020 1.00 0.00 N ATOM 1593 CA GLN A 102 0.588 6.834 -3.959 1.00 0.00 C ATOM 1594 C GLN A 102 0.788 5.946 -5.182 1.00 0.00 C ATOM 1595 O GLN A 102 1.673 5.093 -5.199 1.00 0.00 O ATOM 1596 CB GLN A 102 0.659 5.988 -2.685 1.00 0.00 C ATOM 1597 CG GLN A 102 1.303 6.698 -1.502 1.00 0.00 C ATOM 1598 CD GLN A 102 0.997 8.183 -1.458 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.280 8.525 -1.540 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.901 9.012 -1.352 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.495 6.951 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 102 1.383 7.580 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.350 5.684 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.219 5.077 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.959 6.235 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.383 6.557 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.871 8.704 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.680 10.007 -1.324 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.034 6.150 -6.208 1.00 0.00 N ATOM 1610 CA ARG A 103 0.060 5.363 -7.434 1.00 0.00 C ATOM 1611 C ARG A 103 1.500 5.305 -7.940 1.00 0.00 C ATOM 1612 O ARG A 103 1.895 4.350 -8.609 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.849 5.950 -8.514 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.528 7.394 -8.865 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.389 7.894 -10.014 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.357 6.983 -11.156 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.313 6.851 -11.971 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.786 7.568 -11.773 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.367 5.998 -12.984 1.00 0.00 N ATOM 0 H ARG A 103 -0.773 6.854 -6.215 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.266 4.348 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.769 5.340 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.884 5.889 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.685 8.025 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.525 7.478 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.417 8.012 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.042 8.879 -10.326 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.184 6.415 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.833 8.224 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.583 7.463 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.209 5.443 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.433 5.897 -13.609 1.00 0.00 H new ATOM 1633 N LYS A 104 2.281 6.331 -7.613 1.00 0.00 N ATOM 1634 CA LYS A 104 3.676 6.394 -8.031 1.00 0.00 C ATOM 1635 C LYS A 104 4.612 6.043 -6.877 1.00 0.00 C ATOM 1636 O LYS A 104 5.759 5.651 -7.095 1.00 0.00 O ATOM 1637 CB LYS A 104 4.007 7.788 -8.565 1.00 0.00 C ATOM 1638 CG LYS A 104 5.239 7.822 -9.456 1.00 0.00 C ATOM 1639 CD LYS A 104 6.329 8.707 -8.871 1.00 0.00 C ATOM 1640 CE LYS A 104 5.928 10.173 -8.894 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.748 10.987 -7.956 1.00 0.00 N ATOM 0 H LYS A 104 1.970 7.130 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 104 3.822 5.662 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.152 8.165 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.159 8.464 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.622 6.810 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.964 8.189 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.536 8.401 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.251 8.572 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.038 10.564 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.875 10.266 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.444 11.980 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.623 10.631 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.751 10.920 -8.223 1.00 0.00 H new ATOM 1655 N ASN A 105 4.121 6.186 -5.649 1.00 0.00 N ATOM 1656 CA ASN A 105 4.922 5.885 -4.466 1.00 0.00 C ATOM 1657 C ASN A 105 4.843 4.403 -4.111 1.00 0.00 C ATOM 1658 O ASN A 105 5.829 3.807 -3.679 1.00 0.00 O ATOM 1659 CB ASN A 105 4.451 6.728 -3.278 1.00 0.00 C ATOM 1660 CG ASN A 105 5.073 8.111 -3.267 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.255 8.269 -2.961 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.277 9.121 -3.599 1.00 0.00 N ATOM 0 H ASN A 105 3.174 6.508 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 105 5.960 6.130 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.365 6.821 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.700 6.214 -2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.639 10.074 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.303 8.943 -3.846 1.00 0.00 H new ATOM 1669 N ILE A 106 3.665 3.811 -4.291 1.00 0.00 N ATOM 1670 CA ILE A 106 3.475 2.399 -3.982 1.00 0.00 C ATOM 1671 C ILE A 106 4.356 1.524 -4.865 1.00 0.00 C ATOM 1672 O ILE A 106 5.125 0.703 -4.363 1.00 0.00 O ATOM 1673 CB ILE A 106 2.001 1.972 -4.116 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.817 0.546 -3.593 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.531 2.082 -5.559 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.351 0.340 -2.188 1.00 0.00 C ATOM 0 H ILE A 106 2.834 4.284 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 106 3.769 2.260 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 106 1.391 2.646 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.756 0.296 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.318 -0.147 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.487 1.775 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.628 3.114 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.141 1.436 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.186 -0.694 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.419 0.558 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.832 1.008 -1.500 1.00 0.00 H new ATOM 1688 N CYS A 107 4.278 1.721 -6.180 1.00 0.00 N ATOM 1689 CA CYS A 107 5.112 0.961 -7.106 1.00 0.00 C ATOM 1690 C CYS A 107 6.574 1.194 -6.751 1.00 0.00 C ATOM 1691 O CYS A 107 7.425 0.322 -6.925 1.00 0.00 O ATOM 1692 CB CYS A 107 4.840 1.389 -8.548 1.00 0.00 C ATOM 1693 SG CYS A 107 3.148 1.078 -9.102 1.00 0.00 S ATOM 0 H CYS A 107 3.652 2.393 -6.624 1.00 0.00 H new ATOM 0 HA CYS A 107 4.877 -0.100 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.053 2.453 -8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.530 0.863 -9.208 1.00 0.00 H new ATOM 0 HG CYS A 107 2.454 2.173 -9.012 1.00 0.00 H new ATOM 1699 N GLN A 108 6.835 2.385 -6.221 1.00 0.00 N ATOM 1700 CA GLN A 108 8.168 2.775 -5.794 1.00 0.00 C ATOM 1701 C GLN A 108 8.521 2.053 -4.496 1.00 0.00 C ATOM 1702 O GLN A 108 9.679 1.713 -4.256 1.00 0.00 O ATOM 1703 CB GLN A 108 8.215 4.300 -5.613 1.00 0.00 C ATOM 1704 CG GLN A 108 9.352 4.804 -4.737 1.00 0.00 C ATOM 1705 CD GLN A 108 10.655 4.947 -5.498 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.402 3.854 -5.601 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.986 6.027 -5.987 1.00 0.00 N flip ATOM 0 H GLN A 108 6.126 3.104 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 108 8.902 2.494 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.298 4.766 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.270 4.630 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.077 5.769 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.496 4.116 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.380 6.841 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.866 6.108 -6.496 1.00 0.00 H new ATOM 1716 N PHE A 109 7.505 1.813 -3.671 1.00 0.00 N ATOM 1717 CA PHE A 109 7.690 1.120 -2.404 1.00 0.00 C ATOM 1718 C PHE A 109 7.874 -0.373 -2.638 1.00 0.00 C ATOM 1719 O PHE A 109 8.757 -1.002 -2.056 1.00 0.00 O ATOM 1720 CB PHE A 109 6.487 1.355 -1.491 1.00 0.00 C ATOM 1721 CG PHE A 109 6.621 0.708 -0.142 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.542 1.183 0.778 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.824 -0.372 0.206 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.665 0.593 2.020 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.944 -0.965 1.448 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.866 -0.482 2.357 1.00 0.00 C ATOM 0 H PHE A 109 6.542 2.091 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 109 8.585 1.516 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.346 2.428 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.590 0.974 -1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.170 2.023 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.102 -0.753 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.386 0.972 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.318 -1.805 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.962 -0.944 3.329 1.00 0.00 H new ATOM 1736 N LEU A 110 7.033 -0.933 -3.504 1.00 0.00 N ATOM 1737 CA LEU A 110 7.096 -2.353 -3.829 1.00 0.00 C ATOM 1738 C LEU A 110 8.478 -2.722 -4.355 1.00 0.00 C ATOM 1739 O LEU A 110 8.946 -3.844 -4.172 1.00 0.00 O ATOM 1740 CB LEU A 110 6.030 -2.704 -4.871 1.00 0.00 C ATOM 1741 CG LEU A 110 4.662 -3.092 -4.302 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.231 -2.110 -3.223 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.623 -3.151 -5.412 1.00 0.00 C ATOM 0 H LEU A 110 6.298 -0.422 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 110 6.906 -2.923 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.900 -1.850 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.399 -3.529 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 110 4.746 -4.081 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.257 -2.404 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.962 -2.113 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.164 -1.108 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.656 -3.428 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.545 -2.174 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.923 -3.893 -6.152 1.00 0.00 H new ATOM 1755 N VAL A 111 9.127 -1.766 -5.010 1.00 0.00 N ATOM 1756 CA VAL A 111 10.456 -1.988 -5.563 1.00 0.00 C ATOM 1757 C VAL A 111 11.538 -1.610 -4.556 1.00 0.00 C ATOM 1758 O VAL A 111 12.618 -2.200 -4.541 1.00 0.00 O ATOM 1759 CB VAL A 111 10.662 -1.177 -6.859 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.043 -1.435 -7.445 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.577 -1.507 -7.872 1.00 0.00 C ATOM 0 H VAL A 111 8.754 -0.830 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 111 10.536 -3.051 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 111 10.592 -0.117 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.165 -0.853 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.805 -1.142 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.149 -2.495 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.738 -0.926 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.613 -2.570 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.601 -1.262 -7.453 1.00 0.00 H new ATOM 1771 N GLU A 112 11.240 -0.626 -3.715 1.00 0.00 N ATOM 1772 CA GLU A 112 12.188 -0.173 -2.704 1.00 0.00 C ATOM 1773 C GLU A 112 12.370 -1.229 -1.619 1.00 0.00 C ATOM 1774 O GLU A 112 13.487 -1.486 -1.169 1.00 0.00 O ATOM 1775 CB GLU A 112 11.709 1.138 -2.075 1.00 0.00 C ATOM 1776 CG GLU A 112 11.983 2.361 -2.936 1.00 0.00 C ATOM 1777 CD GLU A 112 13.102 3.224 -2.385 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.308 3.217 -1.153 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.772 3.909 -3.186 1.00 0.00 O ATOM 0 H GLU A 112 10.350 -0.127 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 112 13.148 -0.006 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.638 1.070 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.197 1.267 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.240 2.040 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.074 2.957 -3.013 1.00 0.00 H new ATOM 1786 N ILE A 113 11.265 -1.838 -1.204 1.00 0.00 N ATOM 1787 CA ILE A 113 11.298 -2.866 -0.171 1.00 0.00 C ATOM 1788 C ILE A 113 11.448 -4.261 -0.777 1.00 0.00 C ATOM 1789 O ILE A 113 11.841 -5.206 -0.094 1.00 0.00 O ATOM 1790 CB ILE A 113 10.024 -2.827 0.704 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.831 -3.448 -0.036 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.708 -1.394 1.112 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.536 -3.399 0.747 1.00 0.00 C ATOM 0 H ILE A 113 10.334 -1.637 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 113 12.166 -2.655 0.454 1.00 0.00 H new ATOM 0 HB ILE A 113 10.209 -3.416 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.692 -2.928 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.063 -4.486 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.809 -1.381 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.543 -0.985 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.546 -0.789 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.739 -3.856 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.656 -3.944 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.280 -2.362 0.962 1.00 0.00 H new ATOM 1805 N GLY A 114 11.116 -4.384 -2.060 1.00 0.00 N ATOM 1806 CA GLY A 114 11.204 -5.669 -2.725 1.00 0.00 C ATOM 1807 C GLY A 114 9.935 -6.475 -2.548 1.00 0.00 C ATOM 1808 O GLY A 114 9.972 -7.702 -2.446 1.00 0.00 O ATOM 0 H GLY A 114 10.789 -3.617 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.394 -5.517 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.050 -6.229 -2.326 1.00 0.00 H new ATOM 1812 N LEU A 115 8.807 -5.773 -2.503 1.00 0.00 N ATOM 1813 CA LEU A 115 7.508 -6.411 -2.326 1.00 0.00 C ATOM 1814 C LEU A 115 7.020 -7.030 -3.633 1.00 0.00 C ATOM 1815 O LEU A 115 6.982 -8.251 -3.775 1.00 0.00 O ATOM 1816 CB LEU A 115 6.490 -5.387 -1.814 1.00 0.00 C ATOM 1817 CG LEU A 115 5.497 -5.911 -0.773 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.223 -6.654 0.341 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.670 -4.769 -0.202 1.00 0.00 C ATOM 0 H LEU A 115 8.767 -4.757 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 115 7.614 -7.210 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.032 -4.546 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.928 -5.002 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 115 4.824 -6.612 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.498 -7.017 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.768 -7.498 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.923 -5.979 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.970 -5.160 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.330 -4.044 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.116 -4.284 -1.006 1.00 0.00 H new ATOM 1831 N ALA A 116 6.650 -6.179 -4.584 1.00 0.00 N ATOM 1832 CA ALA A 116 6.168 -6.646 -5.877 1.00 0.00 C ATOM 1833 C ALA A 116 7.315 -6.745 -6.877 1.00 0.00 C ATOM 1834 O ALA A 116 8.464 -6.446 -6.548 1.00 0.00 O ATOM 1835 CB ALA A 116 5.087 -5.716 -6.405 1.00 0.00 C ATOM 0 H ALA A 116 6.675 -5.164 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 116 5.741 -7.640 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.736 -6.077 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.254 -5.691 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.495 -4.712 -6.519 1.00 0.00 H new ATOM 1841 N LYS A 117 7.001 -7.156 -8.100 1.00 0.00 N ATOM 1842 CA LYS A 117 8.012 -7.283 -9.143 1.00 0.00 C ATOM 1843 C LYS A 117 7.947 -6.099 -10.097 1.00 0.00 C ATOM 1844 O LYS A 117 6.900 -5.467 -10.246 1.00 0.00 O ATOM 1845 CB LYS A 117 7.826 -8.587 -9.919 1.00 0.00 C ATOM 1846 CG LYS A 117 9.091 -9.423 -10.018 1.00 0.00 C ATOM 1847 CD LYS A 117 9.290 -10.285 -8.782 1.00 0.00 C ATOM 1848 CE LYS A 117 9.483 -9.436 -7.536 1.00 0.00 C ATOM 1849 NZ LYS A 117 9.979 -10.240 -6.386 1.00 0.00 N ATOM 0 H LYS A 117 6.057 -7.406 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 117 8.991 -7.297 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.047 -9.178 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.475 -8.355 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.039 -10.059 -10.902 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.952 -8.767 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.427 -10.937 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.158 -10.929 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.190 -8.634 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.537 -8.965 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.097 -9.624 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.293 -10.990 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.894 -10.669 -6.631 1.00 0.00 H new ATOM 1863 N ASP A 118 9.066 -5.803 -10.746 1.00 0.00 N ATOM 1864 CA ASP A 118 9.120 -4.696 -11.690 1.00 0.00 C ATOM 1865 C ASP A 118 8.182 -4.956 -12.861 1.00 0.00 C ATOM 1866 O ASP A 118 7.649 -4.026 -13.464 1.00 0.00 O ATOM 1867 CB ASP A 118 10.547 -4.483 -12.195 1.00 0.00 C ATOM 1868 CG ASP A 118 11.575 -4.551 -11.082 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.712 -5.628 -10.465 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.242 -3.526 -10.828 1.00 0.00 O ATOM 0 H ASP A 118 9.944 -6.311 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 118 8.799 -3.791 -11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.779 -5.238 -12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.613 -3.513 -12.687 1.00 0.00 H new ATOM 1875 N ASP A 119 7.975 -6.232 -13.168 1.00 0.00 N ATOM 1876 CA ASP A 119 7.089 -6.623 -14.255 1.00 0.00 C ATOM 1877 C ASP A 119 5.640 -6.602 -13.785 1.00 0.00 C ATOM 1878 O ASP A 119 4.721 -6.363 -14.570 1.00 0.00 O ATOM 1879 CB ASP A 119 7.453 -8.017 -14.767 1.00 0.00 C ATOM 1880 CG ASP A 119 8.907 -8.118 -15.187 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.504 -7.072 -15.516 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.448 -9.243 -15.187 1.00 0.00 O ATOM 0 H ASP A 119 8.410 -7.013 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 119 7.207 -5.910 -15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.251 -8.751 -13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.815 -8.268 -15.614 1.00 0.00 H new ATOM 1887 N GLN A 120 5.446 -6.847 -12.492 1.00 0.00 N ATOM 1888 CA GLN A 120 4.113 -6.852 -11.902 1.00 0.00 C ATOM 1889 C GLN A 120 3.615 -5.432 -11.651 1.00 0.00 C ATOM 1890 O GLN A 120 2.443 -5.227 -11.335 1.00 0.00 O ATOM 1891 CB GLN A 120 4.119 -7.623 -10.585 1.00 0.00 C ATOM 1892 CG GLN A 120 4.505 -9.086 -10.724 1.00 0.00 C ATOM 1893 CD GLN A 120 4.390 -9.833 -9.410 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.241 -9.701 -8.757 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.320 -10.520 -8.989 1.00 0.00 N flip ATOM 0 H GLN A 120 6.198 -7.045 -11.832 1.00 0.00 H new ATOM 0 HA GLN A 120 3.441 -7.339 -12.609 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.812 -7.139 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.128 -7.561 -10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.865 -9.560 -11.468 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.528 -9.157 -11.093 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.185 -10.592 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.226 -11.018 -8.104 1.00 0.00 H new ATOM 1904 N LEU A 121 4.510 -4.456 -11.784 1.00 0.00 N ATOM 1905 CA LEU A 121 4.158 -3.055 -11.561 1.00 0.00 C ATOM 1906 C LEU A 121 2.927 -2.662 -12.371 1.00 0.00 C ATOM 1907 O LEU A 121 3.037 -2.195 -13.504 1.00 0.00 O ATOM 1908 CB LEU A 121 5.337 -2.149 -11.922 1.00 0.00 C ATOM 1909 CG LEU A 121 6.518 -2.206 -10.949 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.755 -1.574 -11.571 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.165 -1.519 -9.635 1.00 0.00 C ATOM 0 H LEU A 121 5.484 -4.609 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 121 3.923 -2.930 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.692 -2.419 -12.917 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.981 -1.120 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 121 6.738 -3.252 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.584 -1.624 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.021 -2.113 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.548 -0.532 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.017 -1.570 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.915 -0.475 -9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.310 -2.020 -9.181 1.00 0.00 H new ATOM 1923 N LYS A 122 1.754 -2.854 -11.776 1.00 0.00 N ATOM 1924 CA LYS A 122 0.497 -2.522 -12.430 1.00 0.00 C ATOM 1925 C LYS A 122 -0.165 -1.332 -11.744 1.00 0.00 C ATOM 1926 O LYS A 122 -0.953 -1.499 -10.813 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.442 -3.728 -12.414 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.313 -4.609 -13.646 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.905 -3.942 -14.877 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.033 -4.158 -16.102 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.837 -4.222 -17.354 1.00 0.00 N ATOM 0 H LYS A 122 1.650 -3.240 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 122 0.707 -2.253 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.238 -4.326 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.471 -3.377 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.738 -4.834 -13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.817 -5.559 -13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.902 -4.341 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.018 -2.873 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.693 -3.348 -16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.532 -5.083 -15.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.204 -4.370 -18.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.512 -5.011 -17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.357 -3.330 -17.479 1.00 0.00 H new ATOM 1945 N VAL A 123 0.170 -0.130 -12.200 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.383 1.088 -11.619 1.00 0.00 C ATOM 1947 C VAL A 123 -1.615 1.571 -12.378 1.00 0.00 C ATOM 1948 O VAL A 123 -1.570 1.779 -13.592 1.00 0.00 O ATOM 1949 CB VAL A 123 0.664 2.221 -11.587 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.069 2.624 -12.998 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.131 3.418 -10.816 1.00 0.00 C ATOM 0 H VAL A 123 0.821 0.027 -12.969 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.674 0.837 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 123 1.552 1.851 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.808 3.424 -12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.498 1.764 -13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.192 2.973 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.883 4.207 -10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.775 3.787 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.098 3.119 -9.793 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.711 1.760 -11.650 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.955 2.234 -12.240 1.00 0.00 C ATOM 1963 C HIS A 124 -4.574 3.307 -11.355 1.00 0.00 C ATOM 1964 O HIS A 124 -5.795 3.389 -11.215 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.933 1.074 -12.425 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.328 -0.103 -13.120 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.632 -0.448 -14.421 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.425 -1.017 -12.692 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.943 -1.522 -14.761 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.202 -1.887 -13.732 1.00 0.00 N ATOM 0 H HIS A 124 -2.761 1.591 -10.645 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.738 2.663 -13.218 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.303 0.760 -11.449 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.794 1.421 -12.996 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.286 0.049 -15.025 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.966 -1.055 -11.715 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.980 -2.018 -15.720 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.714 4.120 -10.753 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.173 5.176 -9.873 1.00 0.00 C ATOM 1981 C GLY A 125 -5.148 6.126 -10.542 1.00 0.00 C ATOM 1982 O GLY A 125 -4.747 7.152 -11.091 1.00 0.00 O ATOM 0 H GLY A 125 -2.701 4.065 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.650 4.731 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.313 5.741 -9.514 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.434 5.792 -10.483 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.467 6.632 -11.074 1.00 0.00 C ATOM 1988 C PHE A 126 -7.265 6.770 -12.580 1.00 0.00 C ATOM 1989 O PHE A 126 -8.137 7.374 -13.239 1.00 0.00 O ATOM 1990 CB PHE A 126 -7.452 8.009 -10.409 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.785 8.453 -9.883 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -9.958 8.118 -10.540 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.859 9.211 -8.726 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -11.182 8.532 -10.052 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.081 9.627 -8.234 1.00 0.00 C ATOM 1996 CZ PHE A 126 -11.244 9.287 -8.897 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.237 6.274 -13.087 1.00 0.00 O ATOM 0 H PHE A 126 -6.784 4.946 -10.032 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.436 6.161 -10.907 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.736 7.995 -9.587 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -7.095 8.744 -11.130 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.915 7.527 -11.443 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.953 9.479 -8.204 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -12.090 8.266 -10.573 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.127 10.218 -7.331 1.00 0.00 H new ATOM 0 HZ PHE A 126 -12.200 9.611 -8.513 1.00 0.00 H new