USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 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 : amide:sc= 0.981 K(o=1.3,f=-1.4!) USER MOD Set 1.2: A 56 THR OG1 : rot 150:sc= 0.31 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.378 K(o=-5.1,f=-6.7) USER MOD Set 2.2: A 59 THR OG1 : rot -103:sc= 0.0187 USER MOD Set 2.3: A 97 GLN : amide:sc= -4.77! C(o=-5.1!,f=-8!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -6.41! C(o=-14!,f=-14!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -7.42! C(o=-14!,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -115:sc= -0.7 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.73! C(o=-3.4!,f=-2.7!) USER MOD Single : A 67 TYR OH : rot -135:sc= 0.0675 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+ -162:sc= 0 (180deg=-0.228) USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= 0.931 (180deg=0.516) USER MOD Single : A 82 CYS SG : rot -129:sc= 1.21 USER MOD Single : A 83 ASN :FLIP amide:sc= -1.05 F(o=-3.3!,f=-1.1) USER MOD Single : A 85 THR OG1 : rot -51:sc= -1.25 USER MOD Single : A 89 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-5.3!) USER MOD Single : A 92 TYR OH : rot 30:sc= 0.329 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0119 F(o=-0.52,f=-0.012) USER MOD Single : A 102 GLN :FLIP amide:sc= -2.36 F(o=-6.2!,f=-2.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.814 X(o=-0.81,f=-0.79!) USER MOD Single : A 107 CYS SG : rot 180:sc= -5.19! USER MOD Single : A 108 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.99! F(o=-4,f=-3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.410 -12.500 -12.938 1.00 0.00 N ATOM 607 CA ASP A 42 0.891 -12.147 -11.619 1.00 0.00 C ATOM 608 C ASP A 42 1.226 -10.702 -11.273 1.00 0.00 C ATOM 609 O ASP A 42 1.892 -10.427 -10.275 1.00 0.00 O ATOM 610 CB ASP A 42 1.455 -13.089 -10.554 1.00 0.00 C ATOM 611 CG ASP A 42 0.535 -14.260 -10.268 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.448 -14.073 -9.522 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.798 -15.362 -10.792 1.00 0.00 O ATOM 0 HA ASP A 42 -0.194 -12.252 -11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.424 -13.464 -10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.625 -12.531 -9.633 1.00 0.00 H new ATOM 618 N TYR A 43 0.760 -9.782 -12.106 1.00 0.00 N ATOM 619 CA TYR A 43 1.012 -8.363 -11.896 1.00 0.00 C ATOM 620 C TYR A 43 0.398 -7.883 -10.586 1.00 0.00 C ATOM 621 O TYR A 43 -0.460 -8.550 -10.007 1.00 0.00 O ATOM 622 CB TYR A 43 0.452 -7.542 -13.060 1.00 0.00 C ATOM 623 CG TYR A 43 1.072 -7.865 -14.403 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.320 -8.473 -14.498 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.406 -7.556 -15.582 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.882 -8.762 -15.726 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.962 -7.841 -16.814 1.00 0.00 C ATOM 628 CZ TYR A 43 2.199 -8.444 -16.881 1.00 0.00 C ATOM 629 OH TYR A 43 2.756 -8.729 -18.106 1.00 0.00 O ATOM 0 H TYR A 43 0.204 -9.993 -12.935 1.00 0.00 H new ATOM 0 HA TYR A 43 2.092 -8.222 -11.844 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.624 -7.706 -13.121 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.602 -6.483 -12.848 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.858 -8.723 -13.596 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.564 -7.084 -15.535 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.851 -9.235 -15.781 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.430 -7.592 -17.720 1.00 0.00 H new ATOM 0 HH TYR A 43 2.146 -8.442 -18.817 1.00 0.00 H new ATOM 639 N ILE A 44 0.839 -6.715 -10.129 1.00 0.00 N ATOM 640 CA ILE A 44 0.330 -6.132 -8.894 1.00 0.00 C ATOM 641 C ILE A 44 -0.420 -4.836 -9.188 1.00 0.00 C ATOM 642 O ILE A 44 0.186 -3.785 -9.396 1.00 0.00 O ATOM 643 CB ILE A 44 1.467 -5.865 -7.886 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.185 -7.169 -7.537 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.923 -5.205 -6.626 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.261 -8.247 -7.013 1.00 0.00 C ATOM 0 H ILE A 44 1.550 -6.153 -10.597 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.357 -6.851 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 44 2.183 -5.185 -8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.697 -7.541 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.951 -6.964 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.740 -5.025 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.452 -4.257 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.186 -5.860 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.839 -9.143 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.768 -7.895 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.510 -8.481 -7.768 1.00 0.00 H new ATOM 658 N HIS A 45 -1.744 -4.933 -9.224 1.00 0.00 N ATOM 659 CA HIS A 45 -2.600 -3.788 -9.516 1.00 0.00 C ATOM 660 C HIS A 45 -2.642 -2.791 -8.359 1.00 0.00 C ATOM 661 O HIS A 45 -2.988 -3.142 -7.233 1.00 0.00 O ATOM 662 CB HIS A 45 -4.019 -4.273 -9.825 1.00 0.00 C ATOM 663 CG HIS A 45 -4.500 -3.913 -11.195 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.195 -4.649 -12.321 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.286 -2.894 -11.617 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.771 -4.099 -13.375 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.439 -3.033 -12.975 1.00 0.00 N ATOM 0 H HIS A 45 -2.252 -5.801 -9.053 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.179 -3.274 -10.380 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.054 -5.357 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.704 -3.853 -9.088 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.713 -2.117 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.706 -4.460 -14.391 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.981 -2.413 -13.577 1.00 0.00 H new ATOM 676 N ILE A 46 -2.307 -1.543 -8.658 1.00 0.00 N ATOM 677 CA ILE A 46 -2.331 -0.479 -7.653 1.00 0.00 C ATOM 678 C ILE A 46 -3.745 0.123 -7.562 1.00 0.00 C ATOM 679 O ILE A 46 -4.609 -0.444 -6.894 1.00 0.00 O ATOM 680 CB ILE A 46 -1.290 0.619 -7.965 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.113 0.008 -8.052 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.337 1.721 -6.915 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.681 -0.430 -6.715 1.00 0.00 C ATOM 0 H ILE A 46 -2.015 -1.239 -9.587 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.066 -0.914 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.533 1.065 -8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.082 -0.852 -8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.788 0.737 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.596 2.484 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.330 2.171 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.119 1.299 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.675 -0.851 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.746 0.430 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.030 -1.184 -6.272 1.00 0.00 H new ATOM 695 N ARG A 47 -3.989 1.253 -8.249 1.00 0.00 N ATOM 696 CA ARG A 47 -5.309 1.896 -8.261 1.00 0.00 C ATOM 697 C ARG A 47 -5.489 2.878 -7.109 1.00 0.00 C ATOM 698 O ARG A 47 -5.118 2.603 -5.968 1.00 0.00 O ATOM 699 CB ARG A 47 -6.431 0.852 -8.232 1.00 0.00 C ATOM 700 CG ARG A 47 -7.740 1.351 -8.823 1.00 0.00 C ATOM 701 CD ARG A 47 -8.676 1.882 -7.747 1.00 0.00 C ATOM 702 NE ARG A 47 -9.937 1.145 -7.706 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.889 1.251 -8.630 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.726 2.058 -9.671 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.005 0.545 -8.516 1.00 0.00 N ATOM 0 H ARG A 47 -3.285 1.739 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.367 2.460 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.108 -0.032 -8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.602 0.542 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.535 2.138 -9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.229 0.540 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.186 1.816 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.879 2.937 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.097 0.512 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.868 2.601 -9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.459 2.135 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.134 -0.080 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.735 0.626 -9.224 1.00 0.00 H new ATOM 719 N ILE A 48 -6.082 4.025 -7.432 1.00 0.00 N ATOM 720 CA ILE A 48 -6.350 5.072 -6.450 1.00 0.00 C ATOM 721 C ILE A 48 -7.856 5.305 -6.321 1.00 0.00 C ATOM 722 O ILE A 48 -8.615 5.032 -7.251 1.00 0.00 O ATOM 723 CB ILE A 48 -5.648 6.398 -6.842 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.214 6.419 -6.316 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.415 7.610 -6.323 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.451 7.665 -6.708 1.00 0.00 C ATOM 0 H ILE A 48 -6.389 4.254 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.952 4.741 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.629 6.452 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.232 6.339 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.684 5.544 -6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.895 8.522 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.420 7.613 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.479 7.562 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.441 7.616 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.403 7.735 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.959 8.543 -6.310 1.00 0.00 H new ATOM 738 N GLN A 49 -8.281 5.817 -5.170 1.00 0.00 N ATOM 739 CA GLN A 49 -9.694 6.090 -4.936 1.00 0.00 C ATOM 740 C GLN A 49 -9.881 7.399 -4.172 1.00 0.00 C ATOM 741 O GLN A 49 -9.764 7.439 -2.947 1.00 0.00 O ATOM 742 CB GLN A 49 -10.347 4.934 -4.175 1.00 0.00 C ATOM 743 CG GLN A 49 -9.817 4.752 -2.763 1.00 0.00 C ATOM 744 CD GLN A 49 -9.702 3.294 -2.366 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.826 2.575 -2.846 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.589 2.850 -1.482 1.00 0.00 N ATOM 0 H GLN A 49 -7.669 6.050 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.181 6.189 -5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.423 5.103 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.192 4.011 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.838 5.225 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.477 5.264 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.298 3.482 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.561 1.878 -1.175 1.00 0.00 H new ATOM 755 N GLN A 50 -10.175 8.467 -4.906 1.00 0.00 N ATOM 756 CA GLN A 50 -10.382 9.778 -4.303 1.00 0.00 C ATOM 757 C GLN A 50 -11.870 10.046 -4.098 1.00 0.00 C ATOM 758 O GLN A 50 -12.600 10.315 -5.051 1.00 0.00 O ATOM 759 CB GLN A 50 -9.760 10.868 -5.181 1.00 0.00 C ATOM 760 CG GLN A 50 -8.886 11.845 -4.413 1.00 0.00 C ATOM 761 CD GLN A 50 -8.208 12.857 -5.314 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.850 13.489 -6.152 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.900 13.014 -5.144 1.00 0.00 N ATOM 0 H GLN A 50 -10.275 8.450 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.894 9.792 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.163 10.397 -5.962 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.557 11.421 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.495 12.370 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.127 11.291 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.409 12.468 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.387 13.681 -5.721 1.00 0.00 H new ATOM 772 N ARG A 51 -12.312 9.960 -2.847 1.00 0.00 N ATOM 773 CA ARG A 51 -13.714 10.181 -2.511 1.00 0.00 C ATOM 774 C ARG A 51 -14.174 11.580 -2.915 1.00 0.00 C ATOM 775 O ARG A 51 -14.815 11.756 -3.951 1.00 0.00 O ATOM 776 CB ARG A 51 -13.938 9.966 -1.012 1.00 0.00 C ATOM 777 CG ARG A 51 -13.776 8.518 -0.576 1.00 0.00 C ATOM 778 CD ARG A 51 -14.017 8.353 0.917 1.00 0.00 C ATOM 779 NE ARG A 51 -15.234 9.034 1.354 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.274 10.302 1.763 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.167 11.036 1.792 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.426 10.837 2.143 1.00 0.00 N ATOM 0 H ARG A 51 -11.718 9.738 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.308 9.459 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.235 10.586 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.940 10.306 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.474 7.890 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.772 8.173 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.089 7.292 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.163 8.748 1.468 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.107 8.506 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.278 10.630 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.206 12.006 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.279 10.278 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.459 11.807 2.456 1.00 0.00 H new ATOM 796 N ASN A 52 -13.849 12.572 -2.089 1.00 0.00 N ATOM 797 CA ASN A 52 -14.239 13.952 -2.362 1.00 0.00 C ATOM 798 C ASN A 52 -13.155 14.689 -3.144 1.00 0.00 C ATOM 799 O ASN A 52 -12.780 15.809 -2.799 1.00 0.00 O ATOM 800 CB ASN A 52 -14.530 14.688 -1.052 1.00 0.00 C ATOM 801 CG ASN A 52 -15.406 15.908 -1.259 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.194 15.968 -2.202 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.271 16.891 -0.375 1.00 0.00 N ATOM 0 H ASN A 52 -13.318 12.446 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.143 13.931 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.019 14.006 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.590 14.993 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.833 17.737 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.605 16.799 0.392 1.00 0.00 H new ATOM 810 N GLY A 53 -12.655 14.053 -4.199 1.00 0.00 N ATOM 811 CA GLY A 53 -11.619 14.662 -5.013 1.00 0.00 C ATOM 812 C GLY A 53 -10.437 15.128 -4.188 1.00 0.00 C ATOM 813 O GLY A 53 -9.721 16.050 -4.577 1.00 0.00 O ATOM 0 H GLY A 53 -12.949 13.126 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.278 13.944 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.038 15.510 -5.555 1.00 0.00 H new ATOM 817 N ARG A 54 -10.237 14.488 -3.041 1.00 0.00 N ATOM 818 CA ARG A 54 -9.139 14.841 -2.153 1.00 0.00 C ATOM 819 C ARG A 54 -8.760 13.663 -1.257 1.00 0.00 C ATOM 820 O ARG A 54 -7.579 13.413 -1.014 1.00 0.00 O ATOM 821 CB ARG A 54 -9.516 16.065 -1.310 1.00 0.00 C ATOM 822 CG ARG A 54 -10.387 15.750 -0.102 1.00 0.00 C ATOM 823 CD ARG A 54 -9.548 15.339 1.098 1.00 0.00 C ATOM 824 NE ARG A 54 -10.141 15.778 2.358 1.00 0.00 N ATOM 825 CZ ARG A 54 -9.503 15.752 3.527 1.00 0.00 C ATOM 826 NH1 ARG A 54 -8.255 15.311 3.598 1.00 0.00 N ATOM 827 NH2 ARG A 54 -10.117 16.169 4.626 1.00 0.00 N ATOM 0 H ARG A 54 -10.822 13.722 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.269 15.090 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.602 16.551 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.039 16.781 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.986 16.624 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.083 14.949 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.437 14.255 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.548 15.761 1.002 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.100 16.125 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.779 14.990 2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.771 15.293 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.077 16.509 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.629 16.149 5.521 1.00 0.00 H new ATOM 841 N LYS A 55 -9.765 12.937 -0.776 1.00 0.00 N ATOM 842 CA LYS A 55 -9.528 11.782 0.081 1.00 0.00 C ATOM 843 C LYS A 55 -9.020 10.606 -0.744 1.00 0.00 C ATOM 844 O LYS A 55 -9.671 9.564 -0.833 1.00 0.00 O ATOM 845 CB LYS A 55 -10.811 11.395 0.819 1.00 0.00 C ATOM 846 CG LYS A 55 -10.566 10.817 2.204 1.00 0.00 C ATOM 847 CD LYS A 55 -10.224 11.903 3.212 1.00 0.00 C ATOM 848 CE LYS A 55 -8.991 11.542 4.025 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.231 10.367 4.907 1.00 0.00 N ATOM 0 H LYS A 55 -10.749 13.128 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.768 12.046 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.448 12.275 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.358 10.666 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.453 10.278 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.752 10.093 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.054 12.845 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.070 12.058 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.162 11.326 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.694 12.397 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.366 10.154 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.005 10.581 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.490 9.544 4.326 1.00 0.00 H new ATOM 863 N THR A 56 -7.853 10.784 -1.353 1.00 0.00 N ATOM 864 CA THR A 56 -7.251 9.748 -2.180 1.00 0.00 C ATOM 865 C THR A 56 -6.785 8.576 -1.326 1.00 0.00 C ATOM 866 O THR A 56 -6.247 8.765 -0.234 1.00 0.00 O ATOM 867 CB THR A 56 -6.078 10.326 -2.973 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.127 11.741 -2.984 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.039 9.860 -4.411 1.00 0.00 C ATOM 0 H THR A 56 -7.304 11.641 -1.288 1.00 0.00 H new ATOM 0 HA THR A 56 -8.005 9.382 -2.877 1.00 0.00 H new ATOM 0 HB THR A 56 -5.184 9.965 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.217 12.099 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.183 10.308 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.950 8.774 -4.439 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.956 10.162 -4.916 1.00 0.00 H new ATOM 877 N LEU A 57 -6.999 7.365 -1.827 1.00 0.00 N ATOM 878 CA LEU A 57 -6.603 6.162 -1.107 1.00 0.00 C ATOM 879 C LEU A 57 -6.092 5.093 -2.072 1.00 0.00 C ATOM 880 O LEU A 57 -6.868 4.289 -2.590 1.00 0.00 O ATOM 881 CB LEU A 57 -7.789 5.617 -0.306 1.00 0.00 C ATOM 882 CG LEU A 57 -7.920 6.172 1.114 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.367 6.106 1.580 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.015 5.409 2.069 1.00 0.00 C ATOM 0 H LEU A 57 -7.444 7.191 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.795 6.423 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.707 5.835 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.702 4.532 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.609 7.217 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.442 6.505 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.992 6.696 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.705 5.070 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.121 5.817 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.296 4.356 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.979 5.507 1.745 1.00 0.00 H new ATOM 896 N THR A 58 -4.786 5.089 -2.312 1.00 0.00 N ATOM 897 CA THR A 58 -4.177 4.119 -3.217 1.00 0.00 C ATOM 898 C THR A 58 -4.321 2.700 -2.675 1.00 0.00 C ATOM 899 O THR A 58 -4.195 2.473 -1.474 1.00 0.00 O ATOM 900 CB THR A 58 -2.700 4.448 -3.431 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.544 5.769 -3.919 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.013 3.514 -4.404 1.00 0.00 C ATOM 0 H THR A 58 -4.128 5.746 -1.893 1.00 0.00 H new ATOM 0 HA THR A 58 -4.698 4.176 -4.173 1.00 0.00 H new ATOM 0 HB THR A 58 -2.235 4.332 -2.452 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.170 5.741 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.968 3.804 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.070 2.492 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.506 3.573 -5.374 1.00 0.00 H new ATOM 910 N THR A 59 -4.584 1.749 -3.565 1.00 0.00 N ATOM 911 CA THR A 59 -4.741 0.355 -3.161 1.00 0.00 C ATOM 912 C THR A 59 -3.708 -0.535 -3.842 1.00 0.00 C ATOM 913 O THR A 59 -3.166 -0.189 -4.892 1.00 0.00 O ATOM 914 CB THR A 59 -6.149 -0.148 -3.484 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.742 0.637 -4.504 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.079 -0.132 -2.292 1.00 0.00 C ATOM 0 H THR A 59 -4.693 1.916 -4.565 1.00 0.00 H new ATOM 0 HA THR A 59 -4.585 0.306 -2.083 1.00 0.00 H new ATOM 0 HB THR A 59 -6.018 -1.181 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.390 1.256 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.060 -0.501 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.675 -0.771 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.173 0.887 -1.918 1.00 0.00 H new ATOM 924 N VAL A 60 -3.444 -1.686 -3.233 1.00 0.00 N ATOM 925 CA VAL A 60 -2.479 -2.637 -3.777 1.00 0.00 C ATOM 926 C VAL A 60 -3.079 -4.038 -3.872 1.00 0.00 C ATOM 927 O VAL A 60 -3.375 -4.668 -2.857 1.00 0.00 O ATOM 928 CB VAL A 60 -1.203 -2.696 -2.915 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.177 -3.644 -3.525 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.617 -1.304 -2.750 1.00 0.00 C ATOM 0 H VAL A 60 -3.884 -1.984 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.220 -2.287 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.470 -3.081 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.714 -3.668 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.601 -4.646 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.091 -3.297 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.284 -1.359 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.367 -0.896 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.347 -0.657 -2.263 1.00 0.00 H new ATOM 940 N GLN A 61 -3.248 -4.521 -5.099 1.00 0.00 N ATOM 941 CA GLN A 61 -3.803 -5.852 -5.327 1.00 0.00 C ATOM 942 C GLN A 61 -2.771 -6.753 -5.993 1.00 0.00 C ATOM 943 O GLN A 61 -1.975 -6.302 -6.816 1.00 0.00 O ATOM 944 CB GLN A 61 -5.068 -5.784 -6.193 1.00 0.00 C ATOM 945 CG GLN A 61 -5.588 -4.375 -6.429 1.00 0.00 C ATOM 946 CD GLN A 61 -7.026 -4.351 -6.909 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.391 -5.326 -7.735 1.00 0.00 O flip ATOM 948 NE2 GLN A 61 -7.799 -3.466 -6.544 1.00 0.00 N flip ATOM 0 H GLN A 61 -3.009 -4.012 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.071 -6.270 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.860 -6.248 -7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.852 -6.373 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.509 -3.804 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.956 -3.878 -7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.476 -2.737 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.763 -3.462 -6.877 1.00 0.00 H new ATOM 957 N GLY A 62 -2.785 -8.028 -5.626 1.00 0.00 N ATOM 958 CA GLY A 62 -1.841 -8.972 -6.189 1.00 0.00 C ATOM 959 C GLY A 62 -0.826 -9.440 -5.166 1.00 0.00 C ATOM 960 O GLY A 62 -0.278 -10.537 -5.277 1.00 0.00 O ATOM 0 H GLY A 62 -3.435 -8.425 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.381 -9.833 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.322 -8.509 -7.028 1.00 0.00 H new ATOM 964 N ILE A 63 -0.578 -8.599 -4.168 1.00 0.00 N ATOM 965 CA ILE A 63 0.374 -8.915 -3.112 1.00 0.00 C ATOM 966 C ILE A 63 -0.096 -10.120 -2.299 1.00 0.00 C ATOM 967 O ILE A 63 -1.295 -10.344 -2.136 1.00 0.00 O ATOM 968 CB ILE A 63 0.591 -7.693 -2.185 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.332 -6.575 -2.932 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.351 -8.081 -0.925 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.408 -7.070 -3.875 1.00 0.00 C ATOM 0 H ILE A 63 -1.027 -7.688 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 63 1.325 -9.166 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.390 -7.325 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.608 -5.990 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.784 -5.903 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.487 -7.201 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.786 -8.835 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.326 -8.485 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.883 -6.219 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.155 -7.630 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.961 -7.718 -4.629 1.00 0.00 H new ATOM 983 N ALA A 64 0.862 -10.899 -1.803 1.00 0.00 N ATOM 984 CA ALA A 64 0.554 -12.088 -1.021 1.00 0.00 C ATOM 985 C ALA A 64 0.391 -11.758 0.457 1.00 0.00 C ATOM 986 O ALA A 64 1.225 -11.071 1.047 1.00 0.00 O ATOM 987 CB ALA A 64 1.641 -13.135 -1.210 1.00 0.00 C ATOM 0 H ALA A 64 1.859 -10.726 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.395 -12.488 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.400 -14.020 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.705 -13.407 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.598 -12.729 -0.881 1.00 0.00 H new ATOM 993 N ASP A 65 -0.684 -12.264 1.053 1.00 0.00 N ATOM 994 CA ASP A 65 -0.951 -12.034 2.468 1.00 0.00 C ATOM 995 C ASP A 65 0.189 -12.579 3.325 1.00 0.00 C ATOM 996 O ASP A 65 0.364 -12.171 4.474 1.00 0.00 O ATOM 997 CB ASP A 65 -2.271 -12.692 2.872 1.00 0.00 C ATOM 998 CG ASP A 65 -2.756 -12.227 4.232 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.790 -10.999 4.462 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.102 -13.089 5.066 1.00 0.00 O ATOM 0 H ASP A 65 -1.383 -12.835 0.579 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.027 -10.959 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.030 -12.468 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.145 -13.775 2.885 1.00 0.00 H new ATOM 1005 N ASP A 66 0.964 -13.500 2.757 1.00 0.00 N ATOM 1006 CA ASP A 66 2.088 -14.096 3.466 1.00 0.00 C ATOM 1007 C ASP A 66 3.142 -13.042 3.792 1.00 0.00 C ATOM 1008 O ASP A 66 3.921 -13.200 4.733 1.00 0.00 O ATOM 1009 CB ASP A 66 2.708 -15.219 2.630 1.00 0.00 C ATOM 1010 CG ASP A 66 2.602 -16.571 3.308 1.00 0.00 C ATOM 1011 OD1 ASP A 66 1.555 -17.233 3.151 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.567 -16.967 3.995 1.00 0.00 O ATOM 0 H ASP A 66 0.832 -13.848 1.807 1.00 0.00 H new ATOM 0 HA ASP A 66 1.718 -14.515 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.212 -15.262 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.757 -14.991 2.442 1.00 0.00 H new ATOM 1017 N TYR A 67 3.160 -11.965 3.009 1.00 0.00 N ATOM 1018 CA TYR A 67 4.116 -10.883 3.214 1.00 0.00 C ATOM 1019 C TYR A 67 4.084 -10.392 4.659 1.00 0.00 C ATOM 1020 O TYR A 67 3.332 -10.910 5.485 1.00 0.00 O ATOM 1021 CB TYR A 67 3.801 -9.713 2.278 1.00 0.00 C ATOM 1022 CG TYR A 67 4.066 -9.982 0.810 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.300 -11.267 0.330 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.083 -8.933 -0.098 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.542 -11.492 -1.013 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.323 -9.148 -1.440 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.553 -10.430 -1.894 1.00 0.00 C ATOM 1028 OH TYR A 67 4.793 -10.650 -3.230 1.00 0.00 O ATOM 0 H TYR A 67 2.522 -11.820 2.226 1.00 0.00 H new ATOM 0 HA TYR A 67 5.111 -11.271 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.752 -9.442 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.391 -8.850 2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.293 -12.101 1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.905 -7.927 0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.722 -12.495 -1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.331 -8.318 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 67 5.435 -9.987 -3.561 1.00 0.00 H new ATOM 1038 N ASP A 68 4.898 -9.385 4.955 1.00 0.00 N ATOM 1039 CA ASP A 68 4.955 -8.818 6.297 1.00 0.00 C ATOM 1040 C ASP A 68 3.983 -7.650 6.423 1.00 0.00 C ATOM 1041 O ASP A 68 4.346 -6.499 6.183 1.00 0.00 O ATOM 1042 CB ASP A 68 6.376 -8.353 6.618 1.00 0.00 C ATOM 1043 CG ASP A 68 7.377 -9.491 6.597 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.975 -10.640 6.875 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.563 -9.234 6.301 1.00 0.00 O ATOM 0 H ASP A 68 5.527 -8.945 4.284 1.00 0.00 H new ATOM 0 HA ASP A 68 4.668 -9.591 7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.678 -7.594 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.387 -7.881 7.601 1.00 0.00 H new ATOM 1050 N LYS A 69 2.741 -7.954 6.800 1.00 0.00 N ATOM 1051 CA LYS A 69 1.709 -6.930 6.955 1.00 0.00 C ATOM 1052 C LYS A 69 2.249 -5.703 7.684 1.00 0.00 C ATOM 1053 O LYS A 69 1.853 -4.573 7.397 1.00 0.00 O ATOM 1054 CB LYS A 69 0.509 -7.499 7.717 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.043 -8.780 7.114 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.483 -9.019 7.539 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.565 -9.941 8.745 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.637 -10.963 8.591 1.00 0.00 N ATOM 0 H LYS A 69 2.425 -8.902 7.004 1.00 0.00 H new ATOM 0 HA LYS A 69 1.393 -6.623 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.802 -7.690 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.282 -6.750 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.013 -8.725 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.574 -9.624 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.956 -8.066 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.040 -9.454 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.606 -10.439 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.753 -9.350 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.660 -11.572 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.556 -10.488 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.445 -11.544 7.750 1.00 0.00 H new ATOM 1072 N LYS A 70 3.157 -5.933 8.625 1.00 0.00 N ATOM 1073 CA LYS A 70 3.754 -4.847 9.392 1.00 0.00 C ATOM 1074 C LYS A 70 4.857 -4.158 8.593 1.00 0.00 C ATOM 1075 O LYS A 70 4.954 -2.933 8.580 1.00 0.00 O ATOM 1076 CB LYS A 70 4.318 -5.375 10.714 1.00 0.00 C ATOM 1077 CG LYS A 70 5.411 -6.417 10.537 1.00 0.00 C ATOM 1078 CD LYS A 70 5.443 -7.392 11.703 1.00 0.00 C ATOM 1079 CE LYS A 70 4.627 -8.640 11.409 1.00 0.00 C ATOM 1080 NZ LYS A 70 5.493 -9.810 11.097 1.00 0.00 N ATOM 0 H LYS A 70 3.496 -6.862 8.875 1.00 0.00 H new ATOM 0 HA LYS A 70 2.974 -4.116 9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.715 -4.539 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.506 -5.808 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.247 -6.964 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.378 -5.921 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.475 -7.672 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.054 -6.904 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.998 -8.873 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.960 -8.448 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.898 -10.640 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.075 -9.598 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.112 -10.010 11.909 1.00 0.00 H new ATOM 1094 N LYS A 71 5.682 -4.955 7.921 1.00 0.00 N ATOM 1095 CA LYS A 71 6.777 -4.419 7.118 1.00 0.00 C ATOM 1096 C LYS A 71 6.281 -3.873 5.778 1.00 0.00 C ATOM 1097 O LYS A 71 7.079 -3.483 4.927 1.00 0.00 O ATOM 1098 CB LYS A 71 7.835 -5.497 6.878 1.00 0.00 C ATOM 1099 CG LYS A 71 9.261 -4.985 7.001 1.00 0.00 C ATOM 1100 CD LYS A 71 10.262 -6.129 7.058 1.00 0.00 C ATOM 1101 CE LYS A 71 10.178 -6.877 8.378 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.504 -7.404 8.804 1.00 0.00 N ATOM 0 H LYS A 71 5.614 -5.973 7.916 1.00 0.00 H new ATOM 0 HA LYS A 71 7.219 -3.593 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.685 -6.307 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.693 -5.919 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.492 -4.341 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.353 -4.375 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.075 -6.819 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.271 -5.738 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.788 -6.212 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.473 -7.703 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.403 -7.907 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.866 -8.059 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.171 -6.614 8.920 1.00 0.00 H new ATOM 1116 N LEU A 72 4.961 -3.845 5.589 1.00 0.00 N ATOM 1117 CA LEU A 72 4.380 -3.346 4.351 1.00 0.00 C ATOM 1118 C LEU A 72 3.659 -2.026 4.580 1.00 0.00 C ATOM 1119 O LEU A 72 4.062 -0.991 4.053 1.00 0.00 O ATOM 1120 CB LEU A 72 3.405 -4.374 3.771 1.00 0.00 C ATOM 1121 CG LEU A 72 4.049 -5.526 2.992 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.506 -5.707 3.398 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.267 -6.813 3.207 1.00 0.00 C ATOM 0 H LEU A 72 4.279 -4.162 6.278 1.00 0.00 H new ATOM 0 HA LEU A 72 5.191 -3.179 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.818 -4.794 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.708 -3.857 3.111 1.00 0.00 H new ATOM 0 HG LEU A 72 4.023 -5.279 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.942 -6.530 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.058 -4.791 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.562 -5.930 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.737 -7.622 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.261 -7.062 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.243 -6.679 2.860 1.00 0.00 H new ATOM 1135 N VAL A 73 2.592 -2.070 5.366 1.00 0.00 N ATOM 1136 CA VAL A 73 1.817 -0.875 5.659 1.00 0.00 C ATOM 1137 C VAL A 73 2.496 -0.030 6.731 1.00 0.00 C ATOM 1138 O VAL A 73 2.600 1.189 6.596 1.00 0.00 O ATOM 1139 CB VAL A 73 0.378 -1.231 6.094 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.328 -1.661 7.554 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.557 -0.060 5.840 1.00 0.00 C ATOM 0 H VAL A 73 2.245 -2.920 5.811 1.00 0.00 H new ATOM 0 HA VAL A 73 1.762 -0.291 4.740 1.00 0.00 H new ATOM 0 HB VAL A 73 0.044 -2.077 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.699 -1.904 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.959 -2.538 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.688 -0.849 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.567 -0.327 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.218 0.806 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.557 0.182 4.777 1.00 0.00 H new ATOM 1151 N LYS A 74 2.980 -0.681 7.787 1.00 0.00 N ATOM 1152 CA LYS A 74 3.668 0.031 8.854 1.00 0.00 C ATOM 1153 C LYS A 74 4.948 0.644 8.306 1.00 0.00 C ATOM 1154 O LYS A 74 5.253 1.810 8.558 1.00 0.00 O ATOM 1155 CB LYS A 74 3.985 -0.909 10.017 1.00 0.00 C ATOM 1156 CG LYS A 74 3.724 -0.296 11.383 1.00 0.00 C ATOM 1157 CD LYS A 74 4.625 -0.900 12.447 1.00 0.00 C ATOM 1158 CE LYS A 74 5.943 -0.150 12.550 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.790 -0.664 13.662 1.00 0.00 N ATOM 0 H LYS A 74 2.908 -1.689 7.923 1.00 0.00 H new ATOM 0 HA LYS A 74 3.018 0.822 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.388 -1.815 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.031 -1.209 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.886 0.781 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.681 -0.450 11.658 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.117 -0.879 13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.818 -1.947 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.486 -0.240 11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.746 0.911 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.679 -0.126 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.283 -0.555 14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.000 -1.670 13.502 1.00 0.00 H new ATOM 1173 N ALA A 75 5.679 -0.150 7.529 1.00 0.00 N ATOM 1174 CA ALA A 75 6.912 0.312 6.911 1.00 0.00 C ATOM 1175 C ALA A 75 6.614 1.483 5.985 1.00 0.00 C ATOM 1176 O ALA A 75 7.333 2.481 5.977 1.00 0.00 O ATOM 1177 CB ALA A 75 7.583 -0.819 6.148 1.00 0.00 C ATOM 0 H ALA A 75 5.436 -1.117 7.314 1.00 0.00 H new ATOM 0 HA ALA A 75 7.597 0.645 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.504 -0.455 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.815 -1.633 6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.912 -1.181 5.369 1.00 0.00 H new ATOM 1183 N PHE A 76 5.531 1.359 5.218 1.00 0.00 N ATOM 1184 CA PHE A 76 5.117 2.420 4.301 1.00 0.00 C ATOM 1185 C PHE A 76 5.091 3.769 5.018 1.00 0.00 C ATOM 1186 O PHE A 76 5.500 4.790 4.465 1.00 0.00 O ATOM 1187 CB PHE A 76 3.730 2.121 3.728 1.00 0.00 C ATOM 1188 CG PHE A 76 3.439 2.853 2.449 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.811 2.312 1.230 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.799 4.083 2.465 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.550 2.980 0.051 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.536 4.757 1.287 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.912 4.204 0.078 1.00 0.00 C ATOM 0 H PHE A 76 4.927 0.537 5.213 1.00 0.00 H new ATOM 0 HA PHE A 76 5.840 2.463 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.642 1.049 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.975 2.385 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.312 1.355 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.503 4.519 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.845 2.545 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.037 5.715 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.707 4.728 -0.844 1.00 0.00 H new ATOM 1203 N LYS A 77 4.603 3.759 6.255 1.00 0.00 N ATOM 1204 CA LYS A 77 4.513 4.972 7.061 1.00 0.00 C ATOM 1205 C LYS A 77 5.893 5.446 7.518 1.00 0.00 C ATOM 1206 O LYS A 77 6.033 6.546 8.051 1.00 0.00 O ATOM 1207 CB LYS A 77 3.623 4.722 8.277 1.00 0.00 C ATOM 1208 CG LYS A 77 2.276 4.112 7.926 1.00 0.00 C ATOM 1209 CD LYS A 77 1.162 4.686 8.785 1.00 0.00 C ATOM 1210 CE LYS A 77 1.242 4.175 10.215 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.918 5.240 11.204 1.00 0.00 N ATOM 0 H LYS A 77 4.262 2.919 6.723 1.00 0.00 H new ATOM 0 HA LYS A 77 4.077 5.755 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.144 4.060 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.461 5.665 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.056 4.295 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.319 3.031 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.223 5.774 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.196 4.420 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.553 3.340 10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.244 3.793 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.984 4.852 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.591 6.026 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.048 5.587 11.036 1.00 0.00 H new ATOM 1225 N LYS A 78 6.907 4.614 7.311 1.00 0.00 N ATOM 1226 CA LYS A 78 8.268 4.958 7.704 1.00 0.00 C ATOM 1227 C LYS A 78 9.098 5.380 6.496 1.00 0.00 C ATOM 1228 O LYS A 78 10.139 6.023 6.642 1.00 0.00 O ATOM 1229 CB LYS A 78 8.932 3.767 8.396 1.00 0.00 C ATOM 1230 CG LYS A 78 10.256 4.110 9.061 1.00 0.00 C ATOM 1231 CD LYS A 78 10.327 3.568 10.480 1.00 0.00 C ATOM 1232 CE LYS A 78 10.411 2.050 10.494 1.00 0.00 C ATOM 1233 NZ LYS A 78 9.123 1.425 10.904 1.00 0.00 N ATOM 0 H LYS A 78 6.813 3.697 6.874 1.00 0.00 H new ATOM 0 HA LYS A 78 8.217 5.798 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.250 3.368 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.097 2.977 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.076 3.699 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.386 5.192 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.197 3.986 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.448 3.890 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.688 1.693 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.200 1.737 11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.292 0.441 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.717 1.957 11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.459 1.440 10.103 1.00 0.00 H new ATOM 1247 N LYS A 79 8.638 5.010 5.304 1.00 0.00 N ATOM 1248 CA LYS A 79 9.347 5.347 4.074 1.00 0.00 C ATOM 1249 C LYS A 79 8.790 6.618 3.440 1.00 0.00 C ATOM 1250 O LYS A 79 9.536 7.418 2.876 1.00 0.00 O ATOM 1251 CB LYS A 79 9.260 4.188 3.079 1.00 0.00 C ATOM 1252 CG LYS A 79 10.551 3.944 2.315 1.00 0.00 C ATOM 1253 CD LYS A 79 10.282 3.603 0.858 1.00 0.00 C ATOM 1254 CE LYS A 79 10.414 4.828 -0.034 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.789 5.398 0.008 1.00 0.00 N ATOM 0 H LYS A 79 7.779 4.478 5.164 1.00 0.00 H new ATOM 0 HA LYS A 79 10.391 5.526 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.988 3.279 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.459 4.390 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.181 4.831 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.104 3.130 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.981 2.834 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.280 3.186 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.163 4.559 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.697 5.586 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.921 6.046 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.922 5.919 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.486 4.628 -0.050 1.00 0.00 H new ATOM 1269 N PHE A 80 7.475 6.797 3.525 1.00 0.00 N ATOM 1270 CA PHE A 80 6.828 7.970 2.945 1.00 0.00 C ATOM 1271 C PHE A 80 6.127 8.816 4.007 1.00 0.00 C ATOM 1272 O PHE A 80 5.828 9.986 3.774 1.00 0.00 O ATOM 1273 CB PHE A 80 5.822 7.545 1.874 1.00 0.00 C ATOM 1274 CG PHE A 80 6.297 6.402 1.020 1.00 0.00 C ATOM 1275 CD1 PHE A 80 7.013 6.638 -0.142 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.028 5.093 1.384 1.00 0.00 C ATOM 1277 CE1 PHE A 80 7.450 5.588 -0.927 1.00 0.00 C ATOM 1278 CE2 PHE A 80 6.463 4.040 0.603 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.175 4.287 -0.553 1.00 0.00 C ATOM 0 H PHE A 80 6.839 6.148 3.988 1.00 0.00 H new ATOM 0 HA PHE A 80 7.608 8.581 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.887 7.262 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.603 8.399 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.232 7.653 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.472 4.893 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.006 5.784 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.246 3.024 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.517 3.465 -1.164 1.00 0.00 H new ATOM 1289 N ALA A 81 5.863 8.224 5.171 1.00 0.00 N ATOM 1290 CA ALA A 81 5.191 8.936 6.257 1.00 0.00 C ATOM 1291 C ALA A 81 3.704 9.096 5.967 1.00 0.00 C ATOM 1292 O ALA A 81 3.094 10.100 6.334 1.00 0.00 O ATOM 1293 CB ALA A 81 5.837 10.296 6.488 1.00 0.00 C ATOM 0 H ALA A 81 6.103 7.256 5.386 1.00 0.00 H new ATOM 0 HA ALA A 81 5.298 8.342 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.323 10.810 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.886 10.161 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.765 10.892 5.578 1.00 0.00 H new ATOM 1299 N CYS A 82 3.127 8.098 5.306 1.00 0.00 N ATOM 1300 CA CYS A 82 1.710 8.123 4.966 1.00 0.00 C ATOM 1301 C CYS A 82 0.929 7.136 5.827 1.00 0.00 C ATOM 1302 O CYS A 82 1.507 6.423 6.646 1.00 0.00 O ATOM 1303 CB CYS A 82 1.516 7.795 3.485 1.00 0.00 C ATOM 1304 SG CYS A 82 0.414 8.934 2.615 1.00 0.00 S ATOM 0 H CYS A 82 3.620 7.261 4.995 1.00 0.00 H new ATOM 0 HA CYS A 82 1.330 9.126 5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.488 7.800 2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.119 6.784 3.397 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.487 8.257 1.968 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.385 7.095 5.635 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.238 6.190 6.389 1.00 0.00 C ATOM 1312 C ASN A 83 -1.725 5.061 5.485 1.00 0.00 C ATOM 1313 O ASN A 83 -2.255 5.307 4.402 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.420 6.964 6.990 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.670 6.119 7.153 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.335 5.835 6.040 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.030 5.726 8.262 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.881 7.680 4.962 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.667 5.751 7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.129 7.361 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.648 7.818 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.487 5.969 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.872 5.157 8.353 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.537 3.825 5.930 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.960 2.688 5.137 1.00 0.00 C ATOM 1326 C GLY A 84 -2.879 1.752 5.894 1.00 0.00 C ATOM 1327 O GLY A 84 -2.722 1.554 7.099 1.00 0.00 O ATOM 0 H GLY A 84 -1.101 3.591 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.470 3.045 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.081 2.136 4.804 1.00 0.00 H new ATOM 1331 N THR A 85 -3.836 1.171 5.181 1.00 0.00 N ATOM 1332 CA THR A 85 -4.785 0.243 5.786 1.00 0.00 C ATOM 1333 C THR A 85 -4.796 -1.089 5.041 1.00 0.00 C ATOM 1334 O THR A 85 -4.356 -1.173 3.895 1.00 0.00 O ATOM 1335 CB THR A 85 -6.190 0.849 5.794 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.593 1.196 4.481 1.00 0.00 O ATOM 1337 CG2 THR A 85 -6.300 2.091 6.652 1.00 0.00 C ATOM 0 H THR A 85 -3.976 1.326 4.183 1.00 0.00 H new ATOM 0 HA THR A 85 -4.470 0.060 6.814 1.00 0.00 H new ATOM 0 HB THR A 85 -6.836 0.078 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.893 1.733 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.321 2.470 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.042 1.845 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.616 2.853 6.279 1.00 0.00 H new ATOM 1345 N VAL A 86 -5.299 -2.129 5.698 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.365 -3.456 5.099 1.00 0.00 C ATOM 1347 C VAL A 86 -6.815 -3.914 4.943 1.00 0.00 C ATOM 1348 O VAL A 86 -7.278 -4.804 5.657 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.591 -4.486 5.946 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.180 -4.586 7.346 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.581 -5.845 5.263 1.00 0.00 C ATOM 0 H VAL A 86 -5.668 -2.077 6.648 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.904 -3.390 4.113 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.560 -4.146 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.618 -5.318 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.122 -3.614 7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.223 -4.897 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.030 -6.557 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.605 -6.195 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.101 -5.759 4.288 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.529 -3.298 4.006 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.926 -3.640 3.762 1.00 0.00 C ATOM 1363 C ILE A 87 -9.054 -4.855 2.850 1.00 0.00 C ATOM 1364 O ILE A 87 -8.225 -5.074 1.968 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.696 -2.465 3.124 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -9.087 -2.098 1.768 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.700 -1.260 4.051 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -10.116 -1.932 0.670 1.00 0.00 C ATOM 0 H ILE A 87 -7.164 -2.560 3.404 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.358 -3.870 4.736 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.728 -2.778 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.524 -1.171 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.377 -2.872 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.248 -0.442 3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.181 -1.527 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.674 -0.946 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.615 -1.673 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.663 -2.866 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.812 -1.138 0.941 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.111 -5.632 3.059 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.365 -6.812 2.246 1.00 0.00 C ATOM 1382 C GLU A 88 -11.483 -6.528 1.252 1.00 0.00 C ATOM 1383 O GLU A 88 -12.620 -6.963 1.434 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.737 -8.002 3.130 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.421 -9.346 2.498 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.133 -10.496 3.184 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.364 -10.617 3.016 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.459 -11.274 3.890 1.00 0.00 O ATOM 0 H GLU A 88 -10.806 -5.464 3.786 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.456 -7.060 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.205 -7.921 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.802 -7.957 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.705 -9.324 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.345 -9.516 2.535 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.150 -5.785 0.202 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.119 -5.425 -0.825 1.00 0.00 C ATOM 1397 C HIS A 89 -12.849 -6.658 -1.355 1.00 0.00 C ATOM 1398 O HIS A 89 -12.221 -7.650 -1.722 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.417 -4.699 -1.973 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.260 -3.643 -2.613 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.826 -3.791 -3.861 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.636 -2.419 -2.172 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.515 -2.706 -4.162 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.417 -1.858 -3.153 1.00 0.00 N ATOM 0 H HIS A 89 -10.212 -5.419 0.040 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.858 -4.762 -0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.500 -4.244 -1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.125 -5.428 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.372 -1.969 -1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.065 -2.540 -5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.851 -0.936 -3.110 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.193 -6.612 -1.409 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.997 -7.731 -1.904 1.00 0.00 C ATOM 1415 C PRO A 90 -14.930 -7.864 -3.423 1.00 0.00 C ATOM 1416 O PRO A 90 -15.308 -8.892 -3.984 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.414 -7.365 -1.462 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.418 -5.877 -1.414 1.00 0.00 C ATOM 1419 CD PRO A 90 -15.031 -5.469 -0.997 1.00 0.00 C ATOM 0 HA PRO A 90 -14.648 -8.689 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.158 -7.741 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.649 -7.794 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.672 -5.456 -2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.161 -5.512 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.720 -4.547 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.971 -5.294 0.077 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.446 -6.815 -4.084 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.330 -6.811 -5.537 1.00 0.00 C ATOM 1429 C GLU A 91 -13.037 -7.487 -5.988 1.00 0.00 C ATOM 1430 O GLU A 91 -12.947 -7.981 -7.112 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.383 -5.376 -6.063 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.484 -5.141 -7.083 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.361 -6.045 -8.293 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.323 -5.973 -8.985 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.302 -6.826 -8.550 1.00 0.00 O ATOM 0 H GLU A 91 -14.128 -5.957 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.168 -7.375 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.526 -4.696 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.422 -5.128 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.453 -5.303 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.458 -4.101 -7.407 1.00 0.00 H new ATOM 1442 N TYR A 92 -12.037 -7.502 -5.110 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.751 -8.114 -5.431 1.00 0.00 C ATOM 1444 C TYR A 92 -10.361 -9.151 -4.383 1.00 0.00 C ATOM 1445 O TYR A 92 -10.040 -10.292 -4.713 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.666 -7.039 -5.533 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.184 -5.708 -6.028 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.893 -5.620 -7.218 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.969 -4.542 -5.304 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.374 -4.408 -7.674 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.448 -3.326 -5.753 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.149 -3.264 -6.939 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.627 -2.055 -7.389 1.00 0.00 O ATOM 0 H TYR A 92 -12.092 -7.099 -4.175 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.847 -8.619 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.209 -6.901 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.882 -7.388 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.072 -6.514 -7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.419 -4.587 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.924 -4.357 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.274 -2.429 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.445 -2.200 -7.909 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.389 -8.742 -3.120 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.034 -9.641 -2.038 1.00 0.00 C ATOM 1465 C GLY A 93 -9.291 -8.933 -0.925 1.00 0.00 C ATOM 1466 O GLY A 93 -9.863 -8.108 -0.216 1.00 0.00 O ATOM 0 H GLY A 93 -10.652 -7.802 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.939 -10.097 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.416 -10.450 -2.428 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.010 -9.251 -0.773 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.190 -8.632 0.260 1.00 0.00 C ATOM 1472 C GLU A 94 -6.232 -7.613 -0.346 1.00 0.00 C ATOM 1473 O GLU A 94 -5.128 -7.958 -0.768 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.401 -9.699 1.023 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.239 -9.393 2.502 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.140 -10.646 3.350 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -6.946 -11.575 3.132 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.258 -10.698 4.232 1.00 0.00 O ATOM 0 H GLU A 94 -7.518 -9.933 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.853 -8.115 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.904 -10.660 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.414 -9.802 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.344 -8.788 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.086 -8.796 2.840 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.661 -6.355 -0.389 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.838 -5.290 -0.946 1.00 0.00 C ATOM 1487 C VAL A 95 -5.580 -4.198 0.085 1.00 0.00 C ATOM 1488 O VAL A 95 -6.482 -3.800 0.820 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.498 -4.663 -2.190 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.653 -5.699 -3.292 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.844 -4.049 -1.835 1.00 0.00 C ATOM 0 H VAL A 95 -7.572 -6.050 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.889 -5.742 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.849 -3.868 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.121 -5.238 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.672 -6.085 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.278 -6.518 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.292 -3.612 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.503 -4.822 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.703 -3.272 -1.083 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.347 -3.710 0.130 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.981 -2.658 1.066 1.00 0.00 C ATOM 1503 C ILE A 96 -4.549 -1.324 0.595 1.00 0.00 C ATOM 1504 O ILE A 96 -4.842 -1.152 -0.587 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.444 -2.565 1.233 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.962 -3.651 2.209 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -2.012 -1.177 1.702 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.762 -3.169 3.632 1.00 0.00 C ATOM 0 H ILE A 96 -3.585 -4.026 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.406 -2.902 2.040 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.982 -2.731 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.685 -4.466 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.021 -4.061 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.927 -1.150 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.324 -0.432 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.476 -0.957 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.422 -3.998 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.015 -2.375 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.705 -2.787 4.023 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.715 -0.389 1.520 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.263 0.918 1.186 1.00 0.00 C ATOM 1522 C GLN A 97 -4.408 2.040 1.768 1.00 0.00 C ATOM 1523 O GLN A 97 -4.550 2.398 2.938 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.698 1.036 1.707 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.738 1.200 0.612 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.117 1.508 1.163 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -10.089 0.817 0.855 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.208 2.549 1.982 1.00 0.00 N ATOM 0 H GLN A 97 -4.479 -0.511 2.505 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.262 1.015 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.936 0.147 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.760 1.888 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.431 2.002 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.783 0.287 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.376 3.093 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.110 2.804 2.384 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.533 2.604 0.944 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.673 3.696 1.378 1.00 0.00 C ATOM 1539 C LEU A 98 -3.401 5.026 1.241 1.00 0.00 C ATOM 1540 O LEU A 98 -4.339 5.150 0.454 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.381 3.722 0.565 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.643 2.385 0.482 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.249 2.342 -0.751 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.175 2.149 1.745 1.00 0.00 C ATOM 0 H LEU A 98 -3.401 2.323 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.420 3.536 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.613 4.056 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.711 4.464 1.000 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.382 1.588 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.766 1.383 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.361 2.465 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.982 3.147 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.694 1.193 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.905 2.950 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.488 2.135 2.610 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.971 6.014 2.012 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.594 7.336 1.977 1.00 0.00 C ATOM 1558 C GLN A 99 -2.923 8.235 0.944 1.00 0.00 C ATOM 1559 O GLN A 99 -1.709 8.179 0.751 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.530 7.992 3.357 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.894 8.237 3.981 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.289 9.701 3.962 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.982 10.113 2.906 1.00 0.00 O flip ATOM 1564 NE2 GLN A 99 -4.977 10.454 4.885 1.00 0.00 N flip ATOM 0 H GLN A 99 -2.195 5.929 2.669 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.638 7.205 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.944 7.359 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.002 8.942 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.644 7.655 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.888 7.879 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.444 10.096 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.252 11.436 4.857 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.725 9.069 0.288 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.198 9.977 -0.714 1.00 0.00 C ATOM 1575 C GLY A 100 -2.858 9.279 -2.015 1.00 0.00 C ATOM 1576 O GLY A 100 -2.948 8.055 -2.113 1.00 0.00 O ATOM 0 H GLY A 100 -4.733 9.132 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.929 10.762 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.304 10.464 -0.323 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.466 10.059 -3.017 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.110 9.508 -4.318 1.00 0.00 C ATOM 1582 C ASP A 101 -0.729 8.862 -4.270 1.00 0.00 C ATOM 1583 O ASP A 101 0.261 9.453 -4.703 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.139 10.602 -5.386 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.285 11.798 -5.011 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.789 12.685 -4.291 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.113 11.847 -5.439 1.00 0.00 O ATOM 0 H ASP A 101 -2.387 11.074 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.843 8.743 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.789 10.191 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.168 10.928 -5.541 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.673 7.646 -3.740 1.00 0.00 N ATOM 1593 CA GLN A 102 0.580 6.913 -3.628 1.00 0.00 C ATOM 1594 C GLN A 102 0.793 5.999 -4.831 1.00 0.00 C ATOM 1595 O GLN A 102 1.668 5.137 -4.813 1.00 0.00 O ATOM 1596 CB GLN A 102 0.592 6.088 -2.338 1.00 0.00 C ATOM 1597 CG GLN A 102 1.331 6.754 -1.187 1.00 0.00 C ATOM 1598 CD GLN A 102 1.044 8.239 -1.080 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.214 8.613 -1.274 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.944 9.042 -0.827 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.486 7.146 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 102 1.394 7.637 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.436 5.894 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.052 5.121 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.052 6.267 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.403 6.605 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.898 8.711 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.735 10.038 -0.760 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.008 6.191 -5.876 1.00 0.00 N ATOM 1610 CA ARG A 103 0.105 5.380 -7.082 1.00 0.00 C ATOM 1611 C ARG A 103 1.547 5.352 -7.581 1.00 0.00 C ATOM 1612 O ARG A 103 1.976 4.392 -8.221 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.816 5.922 -8.177 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.479 7.340 -8.608 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.654 7.527 -10.108 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.765 8.423 -10.421 1.00 0.00 N ATOM 1617 CZ ARG A 103 -2.039 8.864 -11.647 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -1.286 8.497 -12.677 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -3.069 9.677 -11.844 1.00 0.00 N ATOM 0 H ARG A 103 -0.741 6.900 -5.911 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.198 4.362 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.761 5.265 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.846 5.894 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.119 8.044 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.549 7.571 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.266 7.928 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.826 6.558 -10.577 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.366 8.728 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.492 7.873 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.502 8.839 -13.614 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.650 9.964 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.279 10.015 -12.783 1.00 0.00 H new ATOM 1633 N LYS A 104 2.291 6.410 -7.274 1.00 0.00 N ATOM 1634 CA LYS A 104 3.687 6.509 -7.681 1.00 0.00 C ATOM 1635 C LYS A 104 4.618 6.176 -6.519 1.00 0.00 C ATOM 1636 O LYS A 104 5.773 5.804 -6.726 1.00 0.00 O ATOM 1637 CB LYS A 104 3.989 7.914 -8.205 1.00 0.00 C ATOM 1638 CG LYS A 104 5.107 7.952 -9.236 1.00 0.00 C ATOM 1639 CD LYS A 104 6.330 8.686 -8.709 1.00 0.00 C ATOM 1640 CE LYS A 104 6.013 10.137 -8.383 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.455 11.059 -9.466 1.00 0.00 N ATOM 0 H LYS A 104 1.949 7.212 -6.744 1.00 0.00 H new ATOM 0 HA LYS A 104 3.859 5.786 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.084 8.330 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.258 8.556 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.383 6.934 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.751 8.442 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.700 8.184 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.128 8.645 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.940 10.248 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.501 10.414 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.221 12.038 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.483 10.972 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.970 10.811 -10.352 1.00 0.00 H new ATOM 1655 N ASN A 105 4.111 6.310 -5.295 1.00 0.00 N ATOM 1656 CA ASN A 105 4.906 6.020 -4.107 1.00 0.00 C ATOM 1657 C ASN A 105 4.884 4.527 -3.790 1.00 0.00 C ATOM 1658 O ASN A 105 5.871 3.971 -3.311 1.00 0.00 O ATOM 1659 CB ASN A 105 4.383 6.813 -2.908 1.00 0.00 C ATOM 1660 CG ASN A 105 5.094 8.141 -2.737 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.294 8.186 -2.468 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.353 9.233 -2.892 1.00 0.00 N ATOM 0 H ASN A 105 3.157 6.616 -5.102 1.00 0.00 H new ATOM 0 HA ASN A 105 5.935 6.318 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.314 6.990 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.506 6.219 -2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.776 10.155 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.361 9.149 -3.115 1.00 0.00 H new ATOM 1669 N ILE A 106 3.754 3.883 -4.064 1.00 0.00 N ATOM 1670 CA ILE A 106 3.616 2.456 -3.809 1.00 0.00 C ATOM 1671 C ILE A 106 4.526 1.654 -4.733 1.00 0.00 C ATOM 1672 O ILE A 106 5.287 0.801 -4.276 1.00 0.00 O ATOM 1673 CB ILE A 106 2.158 1.985 -3.976 1.00 0.00 C ATOM 1674 CG1 ILE A 106 2.028 0.520 -3.561 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.691 2.183 -5.410 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.314 0.279 -2.094 1.00 0.00 C ATOM 0 H ILE A 106 2.925 4.325 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 106 3.912 2.283 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 106 1.521 2.587 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.019 0.175 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.713 -0.081 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.659 1.844 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.752 3.240 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.327 1.607 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.203 -0.782 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.333 0.593 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.613 0.853 -1.488 1.00 0.00 H new ATOM 1688 N CYS A 107 4.471 1.953 -6.031 1.00 0.00 N ATOM 1689 CA CYS A 107 5.324 1.276 -7.002 1.00 0.00 C ATOM 1690 C CYS A 107 6.768 1.329 -6.516 1.00 0.00 C ATOM 1691 O CYS A 107 7.554 0.402 -6.724 1.00 0.00 O ATOM 1692 CB CYS A 107 5.191 1.949 -8.375 1.00 0.00 C ATOM 1693 SG CYS A 107 6.467 1.483 -9.573 1.00 0.00 S ATOM 0 H CYS A 107 3.848 2.655 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 107 5.017 0.235 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.214 1.704 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.217 3.030 -8.239 1.00 0.00 H new ATOM 0 HG CYS A 107 6.258 2.106 -10.694 1.00 0.00 H new ATOM 1699 N GLN A 108 7.089 2.426 -5.840 1.00 0.00 N ATOM 1700 CA GLN A 108 8.417 2.631 -5.282 1.00 0.00 C ATOM 1701 C GLN A 108 8.624 1.715 -4.087 1.00 0.00 C ATOM 1702 O GLN A 108 9.678 1.099 -3.933 1.00 0.00 O ATOM 1703 CB GLN A 108 8.589 4.088 -4.845 1.00 0.00 C ATOM 1704 CG GLN A 108 9.107 4.999 -5.941 1.00 0.00 C ATOM 1705 CD GLN A 108 10.609 5.204 -5.868 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.113 6.291 -6.150 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.335 4.154 -5.490 1.00 0.00 N ATOM 0 H GLN A 108 6.440 3.193 -5.665 1.00 0.00 H new ATOM 0 HA GLN A 108 9.157 2.399 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.630 4.468 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.276 4.125 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.848 4.577 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.608 5.966 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.876 3.271 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.350 4.232 -5.425 1.00 0.00 H new ATOM 1716 N PHE A 109 7.603 1.634 -3.245 1.00 0.00 N ATOM 1717 CA PHE A 109 7.648 0.797 -2.055 1.00 0.00 C ATOM 1718 C PHE A 109 7.811 -0.670 -2.431 1.00 0.00 C ATOM 1719 O PHE A 109 8.671 -1.368 -1.896 1.00 0.00 O ATOM 1720 CB PHE A 109 6.372 0.985 -1.236 1.00 0.00 C ATOM 1721 CG PHE A 109 6.434 0.376 0.134 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.350 0.833 1.068 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.574 -0.650 0.487 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.405 0.276 2.331 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.625 -1.209 1.748 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.542 -0.746 2.672 1.00 0.00 C ATOM 0 H PHE A 109 6.727 2.142 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 109 8.508 1.097 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.167 2.051 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.535 0.547 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.027 1.632 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.856 -1.017 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.123 0.640 3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.948 -2.008 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.583 -1.183 3.659 1.00 0.00 H new ATOM 1736 N LEU A 110 6.977 -1.129 -3.359 1.00 0.00 N ATOM 1737 CA LEU A 110 7.023 -2.513 -3.813 1.00 0.00 C ATOM 1738 C LEU A 110 8.407 -2.867 -4.343 1.00 0.00 C ATOM 1739 O LEU A 110 8.837 -4.018 -4.269 1.00 0.00 O ATOM 1740 CB LEU A 110 5.971 -2.746 -4.900 1.00 0.00 C ATOM 1741 CG LEU A 110 4.594 -3.191 -4.396 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.170 -2.371 -3.186 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.560 -3.074 -5.506 1.00 0.00 C ATOM 0 H LEU A 110 6.261 -0.561 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 110 6.807 -3.158 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.851 -1.824 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.348 -3.500 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 110 4.663 -4.236 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.190 -2.705 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.897 -2.503 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.120 -1.317 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.587 -3.394 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.498 -2.038 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.853 -3.707 -6.344 1.00 0.00 H new ATOM 1755 N VAL A 111 9.100 -1.868 -4.877 1.00 0.00 N ATOM 1756 CA VAL A 111 10.436 -2.074 -5.421 1.00 0.00 C ATOM 1757 C VAL A 111 11.511 -1.746 -4.385 1.00 0.00 C ATOM 1758 O VAL A 111 12.627 -2.260 -4.452 1.00 0.00 O ATOM 1759 CB VAL A 111 10.660 -1.214 -6.679 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.048 -1.451 -7.258 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.587 -1.502 -7.716 1.00 0.00 C ATOM 0 H VAL A 111 8.759 -0.909 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 111 10.515 -3.127 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 111 10.590 -0.164 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.182 -0.833 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.802 -1.189 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.155 -2.502 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.760 -0.886 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.624 -2.555 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.607 -1.272 -7.299 1.00 0.00 H new ATOM 1771 N GLU A 112 11.168 -0.887 -3.430 1.00 0.00 N ATOM 1772 CA GLU A 112 12.106 -0.492 -2.384 1.00 0.00 C ATOM 1773 C GLU A 112 12.247 -1.591 -1.336 1.00 0.00 C ATOM 1774 O GLU A 112 13.346 -1.869 -0.858 1.00 0.00 O ATOM 1775 CB GLU A 112 11.644 0.807 -1.719 1.00 0.00 C ATOM 1776 CG GLU A 112 11.847 2.040 -2.583 1.00 0.00 C ATOM 1777 CD GLU A 112 13.005 2.899 -2.111 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.052 3.220 -0.904 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.863 3.250 -2.946 1.00 0.00 O ATOM 0 H GLU A 112 10.248 -0.451 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 112 13.079 -0.329 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.587 0.720 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.185 0.938 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.024 1.732 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.934 2.635 -2.581 1.00 0.00 H new ATOM 1786 N ILE A 113 11.126 -2.212 -0.982 1.00 0.00 N ATOM 1787 CA ILE A 113 11.124 -3.280 0.012 1.00 0.00 C ATOM 1788 C ILE A 113 11.165 -4.661 -0.647 1.00 0.00 C ATOM 1789 O ILE A 113 11.183 -5.682 0.040 1.00 0.00 O ATOM 1790 CB ILE A 113 9.882 -3.193 0.929 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.635 -3.718 0.205 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.670 -1.758 1.392 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.354 -3.572 1.000 1.00 0.00 C ATOM 0 H ILE A 113 10.208 -1.994 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 113 12.023 -3.148 0.614 1.00 0.00 H new ATOM 0 HB ILE A 113 10.053 -3.819 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.526 -3.187 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.783 -4.771 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.793 -1.710 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.546 -1.421 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.519 -1.115 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.519 -3.966 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.440 -4.127 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.179 -2.518 1.218 1.00 0.00 H new ATOM 1805 N GLY A 114 11.168 -4.687 -1.978 1.00 0.00 N ATOM 1806 CA GLY A 114 11.191 -5.950 -2.688 1.00 0.00 C ATOM 1807 C GLY A 114 9.876 -6.692 -2.564 1.00 0.00 C ATOM 1808 O GLY A 114 9.845 -7.922 -2.528 1.00 0.00 O ATOM 0 H GLY A 114 11.155 -3.859 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.409 -5.771 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.997 -6.571 -2.297 1.00 0.00 H new ATOM 1812 N LEU A 115 8.785 -5.936 -2.491 1.00 0.00 N ATOM 1813 CA LEU A 115 7.453 -6.517 -2.362 1.00 0.00 C ATOM 1814 C LEU A 115 6.988 -7.112 -3.685 1.00 0.00 C ATOM 1815 O LEU A 115 6.945 -8.332 -3.848 1.00 0.00 O ATOM 1816 CB LEU A 115 6.456 -5.457 -1.884 1.00 0.00 C ATOM 1817 CG LEU A 115 5.384 -5.958 -0.915 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.016 -6.729 0.234 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.559 -4.793 -0.392 1.00 0.00 C ATOM 0 H LEU A 115 8.797 -4.916 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 115 7.502 -7.318 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.010 -4.652 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.962 -5.027 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 115 4.721 -6.636 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.236 -7.076 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.563 -7.586 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.703 -6.078 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.800 -5.165 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.210 -4.091 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.075 -4.286 -1.227 1.00 0.00 H new ATOM 1831 N ALA A 116 6.647 -6.245 -4.631 1.00 0.00 N ATOM 1832 CA ALA A 116 6.194 -6.686 -5.941 1.00 0.00 C ATOM 1833 C ALA A 116 7.376 -6.836 -6.893 1.00 0.00 C ATOM 1834 O ALA A 116 8.530 -6.844 -6.465 1.00 0.00 O ATOM 1835 CB ALA A 116 5.179 -5.705 -6.506 1.00 0.00 C ATOM 0 H ALA A 116 6.676 -5.232 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 116 5.715 -7.659 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.849 -6.048 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.322 -5.642 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.638 -4.721 -6.601 1.00 0.00 H new ATOM 1841 N LYS A 117 7.086 -6.942 -8.183 1.00 0.00 N ATOM 1842 CA LYS A 117 8.131 -7.077 -9.191 1.00 0.00 C ATOM 1843 C LYS A 117 7.985 -5.993 -10.253 1.00 0.00 C ATOM 1844 O LYS A 117 6.874 -5.567 -10.566 1.00 0.00 O ATOM 1845 CB LYS A 117 8.076 -8.462 -9.835 1.00 0.00 C ATOM 1846 CG LYS A 117 9.212 -9.377 -9.406 1.00 0.00 C ATOM 1847 CD LYS A 117 10.557 -8.873 -9.909 1.00 0.00 C ATOM 1848 CE LYS A 117 11.414 -8.340 -8.772 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.446 -7.382 -9.256 1.00 0.00 N ATOM 0 H LYS A 117 6.137 -6.937 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 117 9.099 -6.960 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.126 -8.933 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.099 -8.351 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.233 -9.447 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.034 -10.383 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.084 -9.682 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.399 -8.086 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.777 -7.847 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.901 -9.172 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.009 -7.042 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.070 -7.859 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.981 -6.575 -9.719 1.00 0.00 H new ATOM 1863 N ASP A 118 9.110 -5.542 -10.800 1.00 0.00 N ATOM 1864 CA ASP A 118 9.093 -4.499 -11.820 1.00 0.00 C ATOM 1865 C ASP A 118 8.170 -4.877 -12.975 1.00 0.00 C ATOM 1866 O ASP A 118 7.587 -4.010 -13.626 1.00 0.00 O ATOM 1867 CB ASP A 118 10.507 -4.225 -12.339 1.00 0.00 C ATOM 1868 CG ASP A 118 11.059 -5.369 -13.170 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.800 -5.392 -14.392 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.750 -6.239 -12.599 1.00 0.00 O ATOM 0 H ASP A 118 10.041 -5.881 -10.555 1.00 0.00 H new ATOM 0 HA ASP A 118 8.709 -3.589 -11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.499 -3.316 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.171 -4.042 -11.494 1.00 0.00 H new ATOM 1875 N ASP A 119 8.035 -6.177 -13.217 1.00 0.00 N ATOM 1876 CA ASP A 119 7.174 -6.668 -14.285 1.00 0.00 C ATOM 1877 C ASP A 119 5.717 -6.680 -13.833 1.00 0.00 C ATOM 1878 O ASP A 119 4.800 -6.643 -14.653 1.00 0.00 O ATOM 1879 CB ASP A 119 7.603 -8.073 -14.712 1.00 0.00 C ATOM 1880 CG ASP A 119 7.591 -8.248 -16.217 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.021 -7.315 -16.927 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.151 -9.319 -16.687 1.00 0.00 O ATOM 0 H ASP A 119 8.511 -6.908 -12.688 1.00 0.00 H new ATOM 0 HA ASP A 119 7.269 -5.997 -15.139 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.605 -8.275 -14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.937 -8.807 -14.258 1.00 0.00 H new ATOM 1887 N GLN A 120 5.513 -6.730 -12.518 1.00 0.00 N ATOM 1888 CA GLN A 120 4.170 -6.746 -11.953 1.00 0.00 C ATOM 1889 C GLN A 120 3.665 -5.333 -11.675 1.00 0.00 C ATOM 1890 O GLN A 120 2.495 -5.140 -11.345 1.00 0.00 O ATOM 1891 CB GLN A 120 4.151 -7.557 -10.658 1.00 0.00 C ATOM 1892 CG GLN A 120 4.718 -8.961 -10.802 1.00 0.00 C ATOM 1893 CD GLN A 120 4.429 -9.836 -9.594 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.365 -9.226 -8.414 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.263 -11.049 -9.720 1.00 0.00 N flip ATOM 0 H GLN A 120 6.262 -6.760 -11.826 1.00 0.00 H new ATOM 0 HA GLN A 120 3.510 -7.210 -12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.720 -7.022 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.124 -7.625 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.298 -9.428 -11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.796 -8.900 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.320 -11.478 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.068 -11.625 -8.901 1.00 0.00 H new ATOM 1904 N LEU A 121 4.549 -4.348 -11.803 1.00 0.00 N ATOM 1905 CA LEU A 121 4.185 -2.957 -11.558 1.00 0.00 C ATOM 1906 C LEU A 121 2.956 -2.567 -12.371 1.00 0.00 C ATOM 1907 O LEU A 121 3.063 -2.161 -13.528 1.00 0.00 O ATOM 1908 CB LEU A 121 5.355 -2.031 -11.891 1.00 0.00 C ATOM 1909 CG LEU A 121 6.544 -2.140 -10.939 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.737 -1.363 -11.477 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.163 -1.645 -9.549 1.00 0.00 C ATOM 0 H LEU A 121 5.522 -4.488 -12.075 1.00 0.00 H new ATOM 0 HA LEU A 121 3.945 -2.851 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.696 -2.248 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.998 -1.001 -11.889 1.00 0.00 H new ATOM 0 HG LEU A 121 6.827 -3.190 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.573 -1.454 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.025 -1.766 -12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.468 -0.312 -11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.023 -1.730 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.851 -0.602 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.342 -2.248 -9.160 1.00 0.00 H new ATOM 1923 N LYS A 122 1.791 -2.703 -11.752 1.00 0.00 N ATOM 1924 CA LYS A 122 0.531 -2.377 -12.408 1.00 0.00 C ATOM 1925 C LYS A 122 -0.149 -1.193 -11.727 1.00 0.00 C ATOM 1926 O LYS A 122 -1.017 -1.371 -10.873 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.394 -3.595 -12.394 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.375 -4.384 -13.693 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.950 -3.580 -14.847 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.239 -3.896 -16.153 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.658 -2.981 -17.250 1.00 0.00 N ATOM 0 H LYS A 122 1.692 -3.038 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 122 0.743 -2.099 -13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.104 -4.252 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.413 -3.265 -12.193 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.649 -4.675 -13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.947 -5.303 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.013 -3.796 -14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.860 -2.515 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.838 -3.818 -16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.449 -4.926 -16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.150 -3.230 -18.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.682 -3.073 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.435 -2.000 -16.988 1.00 0.00 H new ATOM 1945 N VAL A 123 0.252 0.015 -12.109 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.320 1.227 -11.531 1.00 0.00 C ATOM 1947 C VAL A 123 -1.435 1.787 -12.409 1.00 0.00 C ATOM 1948 O VAL A 123 -1.229 2.061 -13.592 1.00 0.00 O ATOM 1949 CB VAL A 123 0.757 2.314 -11.325 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.358 2.740 -12.656 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.174 3.512 -10.588 1.00 0.00 C ATOM 0 H VAL A 123 0.969 0.181 -12.815 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.735 0.949 -10.562 1.00 0.00 H new ATOM 0 HB VAL A 123 1.555 1.892 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.114 3.506 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.818 1.878 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.573 3.141 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.948 4.267 -10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.646 3.933 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.198 3.194 -9.614 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.621 1.951 -11.826 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.765 2.476 -12.564 1.00 0.00 C ATOM 1963 C HIS A 124 -4.423 3.634 -11.823 1.00 0.00 C ATOM 1964 O HIS A 124 -5.439 3.457 -11.152 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.791 1.368 -12.803 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.185 0.099 -13.308 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.319 -0.333 -14.609 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.432 -0.834 -12.679 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.678 -1.476 -14.760 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.129 -1.803 -13.603 1.00 0.00 N ATOM 0 H HIS A 124 -2.813 1.729 -10.849 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.400 2.848 -13.521 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.319 1.165 -11.871 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.533 1.718 -13.520 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.834 0.155 -15.342 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.127 -0.819 -11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.613 -2.048 -15.674 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.845 4.823 -11.956 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.402 5.990 -11.300 1.00 0.00 C ATOM 1981 C GLY A 125 -5.792 6.318 -11.807 1.00 0.00 C ATOM 1982 O GLY A 125 -5.986 6.543 -13.002 1.00 0.00 O ATOM 0 H GLY A 125 -3.003 4.999 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.440 5.818 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.746 6.845 -11.463 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.765 6.340 -10.899 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.150 6.636 -11.260 1.00 0.00 C ATOM 1988 C PHE A 126 -8.236 7.854 -12.180 1.00 0.00 C ATOM 1989 O PHE A 126 -7.540 8.853 -11.905 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.991 6.863 -9.999 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.855 8.240 -9.412 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.609 8.749 -9.084 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.975 9.027 -9.192 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.483 10.018 -8.548 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.855 10.295 -8.657 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.607 10.791 -8.334 1.00 0.00 C ATOM 1997 OXT PHE A 126 -9.001 7.797 -13.166 1.00 0.00 O ATOM 0 H PHE A 126 -6.620 6.156 -9.906 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.546 5.777 -11.802 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.039 6.683 -10.237 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.704 6.129 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.726 8.149 -9.249 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.953 8.644 -9.442 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.506 10.404 -8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.736 10.898 -8.492 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.510 11.782 -7.915 1.00 0.00 H new