USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 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 82 CYS SG : rot -140:sc= -0.56 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= 0.372! F(o=-1.5,f=-0.19!) USER MOD Set 2.1: A 45 HIS :FLIP no HE2:sc= -3.83 F(o=-14!,f=-11) USER MOD Set 2.2: A 61 GLN : amide:sc= -3.31 K(o=-11,f=-13!) USER MOD Set 2.3: A 124 HIS : no HE2:sc= -4.34 K(o=-11,f=-14!) USER MOD Set 3.1: A 50 GLN : amide:sc= -5.18! C(o=-5.2!,f=-5.4!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= -0.0197 USER MOD Set 4.1: A 49 GLN :FLIP amide:sc= -5.28! C(o=-8.9!,f=-6.9!) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 97 GLN :FLIP amide:sc= -1.62 F(o=-9.2!,f=-6.9) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.02 USER MOD Single : A 67 TYR OH : rot -134:sc= 0.14 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 140:sc= 0.627 (180deg=-0.271) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.739 F(o=-1.7,f=-0.74) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-5.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.0267 X(o=0.027,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0474) USER MOD Single : A 105 ASN : amide:sc= -0.985 K(o=-0.98,f=-3.2!) USER MOD Single : A 107 CYS SG : rot -108:sc= -0.362 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.199 F(o=-0.7,f=-0.2) USER MOD Single : A 117 LYS NZ :NH3+ 154:sc= 0.877 (180deg=0.443) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.25! F(o=-3.8,f=-3.3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.184 -12.598 -13.113 1.00 0.00 N ATOM 607 CA ASP A 42 0.774 -12.251 -11.753 1.00 0.00 C ATOM 608 C ASP A 42 1.169 -10.817 -11.411 1.00 0.00 C ATOM 609 O ASP A 42 1.945 -10.575 -10.487 1.00 0.00 O ATOM 610 CB ASP A 42 1.393 -13.226 -10.747 1.00 0.00 C ATOM 611 CG ASP A 42 0.358 -14.136 -10.113 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.702 -14.353 -10.737 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.607 -14.629 -8.994 1.00 0.00 O ATOM 0 HA ASP A 42 -0.312 -12.327 -11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.147 -13.832 -11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.905 -12.663 -9.967 1.00 0.00 H new ATOM 618 N TYR A 43 0.630 -9.871 -12.166 1.00 0.00 N ATOM 619 CA TYR A 43 0.928 -8.462 -11.946 1.00 0.00 C ATOM 620 C TYR A 43 0.368 -7.986 -10.609 1.00 0.00 C ATOM 621 O TYR A 43 -0.458 -8.660 -9.994 1.00 0.00 O ATOM 622 CB TYR A 43 0.354 -7.613 -13.080 1.00 0.00 C ATOM 623 CG TYR A 43 0.856 -7.999 -14.454 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.116 -8.563 -14.628 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.068 -7.798 -15.580 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.572 -8.913 -15.884 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.518 -8.145 -16.838 1.00 0.00 C ATOM 628 CZ TYR A 43 1.770 -8.702 -16.985 1.00 0.00 C ATOM 629 OH TYR A 43 2.221 -9.049 -18.238 1.00 0.00 O ATOM 0 H TYR A 43 -0.015 -10.052 -12.935 1.00 0.00 H new ATOM 0 HA TYR A 43 2.012 -8.348 -11.927 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.733 -7.694 -13.066 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.598 -6.567 -12.896 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.747 -8.730 -13.768 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.914 -7.363 -15.469 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.552 -9.350 -16.003 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.108 -7.981 -17.703 1.00 0.00 H new ATOM 0 HH TYR A 43 1.534 -8.836 -18.904 1.00 0.00 H new ATOM 639 N ILE A 44 0.818 -6.816 -10.173 1.00 0.00 N ATOM 640 CA ILE A 44 0.360 -6.235 -8.919 1.00 0.00 C ATOM 641 C ILE A 44 -0.338 -4.904 -9.179 1.00 0.00 C ATOM 642 O ILE A 44 0.303 -3.907 -9.508 1.00 0.00 O ATOM 643 CB ILE A 44 1.528 -6.028 -7.932 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.209 -7.365 -7.633 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.035 -5.386 -6.642 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.287 -8.384 -7.002 1.00 0.00 C ATOM 0 H ILE A 44 1.503 -6.249 -10.673 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.345 -6.933 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 44 2.254 -5.358 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.610 -7.775 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.055 -7.192 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.874 -5.249 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.587 -4.418 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.290 -6.031 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.837 -9.307 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.905 -7.994 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.453 -8.586 -7.675 1.00 0.00 H new ATOM 658 N HIS A 45 -1.659 -4.909 -9.050 1.00 0.00 N ATOM 659 CA HIS A 45 -2.462 -3.717 -9.292 1.00 0.00 C ATOM 660 C HIS A 45 -2.205 -2.624 -8.259 1.00 0.00 C ATOM 661 O HIS A 45 -2.014 -2.894 -7.074 1.00 0.00 O ATOM 662 CB HIS A 45 -3.947 -4.080 -9.291 1.00 0.00 C ATOM 663 CG HIS A 45 -4.597 -3.958 -10.632 1.00 0.00 C ATOM 664 ND1 HIS A 45 -5.605 -3.160 -11.054 1.00 0.00 N flip ATOM 665 CD2 HIS A 45 -4.228 -4.717 -11.723 1.00 0.00 C flip ATOM 666 CE1 HIS A 45 -5.824 -3.448 -12.378 1.00 0.00 C flip ATOM 667 NE2 HIS A 45 -4.980 -4.390 -12.759 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.199 -5.730 -8.778 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.171 -3.325 -10.267 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.061 -5.103 -8.933 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.469 -3.435 -8.584 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.108 -2.473 -10.493 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.446 -5.462 -11.729 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.567 -2.980 -13.007 1.00 0.00 H new ATOM 676 N ILE A 46 -2.233 -1.386 -8.736 1.00 0.00 N ATOM 677 CA ILE A 46 -2.039 -0.212 -7.898 1.00 0.00 C ATOM 678 C ILE A 46 -3.001 0.881 -8.341 1.00 0.00 C ATOM 679 O ILE A 46 -2.774 1.546 -9.348 1.00 0.00 O ATOM 680 CB ILE A 46 -0.591 0.311 -7.975 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.288 -0.443 -6.985 1.00 0.00 C ATOM 682 CG2 ILE A 46 -0.549 1.802 -7.683 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.603 -1.858 -7.404 1.00 0.00 C ATOM 0 H ILE A 46 -2.392 -1.168 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.235 -0.495 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.212 0.145 -8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.222 0.103 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.209 -0.463 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.480 2.155 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.157 2.333 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.940 1.988 -6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.232 -2.329 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.324 -2.422 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.129 -1.846 -8.359 1.00 0.00 H new ATOM 695 N ARG A 47 -4.085 1.046 -7.604 1.00 0.00 N ATOM 696 CA ARG A 47 -5.089 2.044 -7.954 1.00 0.00 C ATOM 697 C ARG A 47 -5.404 2.978 -6.792 1.00 0.00 C ATOM 698 O ARG A 47 -5.334 2.593 -5.625 1.00 0.00 O ATOM 699 CB ARG A 47 -6.373 1.353 -8.420 1.00 0.00 C ATOM 700 CG ARG A 47 -7.461 2.319 -8.859 1.00 0.00 C ATOM 701 CD ARG A 47 -8.655 1.583 -9.447 1.00 0.00 C ATOM 702 NE ARG A 47 -9.245 2.306 -10.571 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.910 3.453 -10.448 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.071 4.011 -9.254 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.414 4.044 -11.523 1.00 0.00 N ATOM 0 H ARG A 47 -4.295 0.507 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.676 2.649 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.136 0.686 -9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.756 0.732 -7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.784 2.917 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.058 3.011 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.343 0.592 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.409 1.439 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.141 1.909 -11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.684 3.561 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.581 4.890 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.292 3.620 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.924 4.923 -11.430 1.00 0.00 H new ATOM 719 N ILE A 48 -5.767 4.210 -7.136 1.00 0.00 N ATOM 720 CA ILE A 48 -6.118 5.221 -6.145 1.00 0.00 C ATOM 721 C ILE A 48 -7.635 5.375 -6.054 1.00 0.00 C ATOM 722 O ILE A 48 -8.352 5.128 -7.023 1.00 0.00 O ATOM 723 CB ILE A 48 -5.494 6.594 -6.500 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.005 6.625 -6.155 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.219 7.728 -5.784 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.298 7.845 -6.701 1.00 0.00 C ATOM 0 H ILE A 48 -5.826 4.534 -8.102 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.723 4.889 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.605 6.736 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.888 6.598 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.527 5.728 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.760 8.680 -6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.268 7.735 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.149 7.582 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.245 7.810 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.387 7.861 -7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.753 8.745 -6.287 1.00 0.00 H new ATOM 738 N GLN A 49 -8.115 5.807 -4.892 1.00 0.00 N ATOM 739 CA GLN A 49 -9.544 6.016 -4.690 1.00 0.00 C ATOM 740 C GLN A 49 -9.796 7.368 -4.029 1.00 0.00 C ATOM 741 O GLN A 49 -9.958 7.463 -2.812 1.00 0.00 O ATOM 742 CB GLN A 49 -10.156 4.879 -3.865 1.00 0.00 C ATOM 743 CG GLN A 49 -9.720 4.859 -2.411 1.00 0.00 C ATOM 744 CD GLN A 49 -9.579 3.451 -1.868 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.174 3.204 -0.707 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -8.943 2.596 -2.483 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.537 6.019 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.030 6.015 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.242 4.960 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.890 3.927 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.768 5.380 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.446 5.406 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.502 2.830 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.857 1.653 -2.103 1.00 0.00 H new ATOM 755 N GLN A 50 -9.819 8.415 -4.848 1.00 0.00 N ATOM 756 CA GLN A 50 -10.042 9.770 -4.360 1.00 0.00 C ATOM 757 C GLN A 50 -11.511 10.162 -4.505 1.00 0.00 C ATOM 758 O GLN A 50 -12.082 10.073 -5.592 1.00 0.00 O ATOM 759 CB GLN A 50 -9.155 10.758 -5.123 1.00 0.00 C ATOM 760 CG GLN A 50 -8.350 11.679 -4.222 1.00 0.00 C ATOM 761 CD GLN A 50 -7.182 12.327 -4.940 1.00 0.00 C ATOM 762 OE1 GLN A 50 -6.823 11.931 -6.049 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.580 13.328 -4.308 1.00 0.00 N ATOM 0 H GLN A 50 -9.685 8.349 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.780 9.802 -3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.470 10.200 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.781 11.363 -5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.004 12.456 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.977 11.111 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.911 13.624 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.787 13.801 -4.741 1.00 0.00 H new ATOM 772 N ARG A 51 -12.116 10.591 -3.403 1.00 0.00 N ATOM 773 CA ARG A 51 -13.518 10.992 -3.408 1.00 0.00 C ATOM 774 C ARG A 51 -13.660 12.486 -3.681 1.00 0.00 C ATOM 775 O ARG A 51 -13.125 13.316 -2.946 1.00 0.00 O ATOM 776 CB ARG A 51 -14.173 10.643 -2.070 1.00 0.00 C ATOM 777 CG ARG A 51 -13.953 9.200 -1.644 1.00 0.00 C ATOM 778 CD ARG A 51 -14.101 9.033 -0.140 1.00 0.00 C ATOM 779 NE ARG A 51 -15.463 9.307 0.311 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.501 8.511 0.064 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.338 7.391 -0.630 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.706 8.837 0.511 1.00 0.00 N ATOM 0 H ARG A 51 -11.658 10.670 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.021 10.447 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.780 11.305 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.244 10.834 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.669 8.556 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.958 8.877 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.824 8.017 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.409 9.704 0.369 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.629 10.159 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.413 7.136 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.137 6.785 -0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.837 9.697 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.502 8.228 0.322 1.00 0.00 H new ATOM 796 N ASN A 52 -14.384 12.821 -4.746 1.00 0.00 N ATOM 797 CA ASN A 52 -14.598 14.216 -5.119 1.00 0.00 C ATOM 798 C ASN A 52 -13.269 14.945 -5.295 1.00 0.00 C ATOM 799 O ASN A 52 -13.189 16.161 -5.122 1.00 0.00 O ATOM 800 CB ASN A 52 -15.442 14.924 -4.057 1.00 0.00 C ATOM 801 CG ASN A 52 -16.119 16.171 -4.593 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.436 16.258 -5.779 1.00 0.00 O ATOM 803 ND2 ASN A 52 -16.345 17.144 -3.718 1.00 0.00 N ATOM 0 H ASN A 52 -14.832 12.146 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.129 14.233 -6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.199 14.236 -3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.808 15.193 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.798 18.006 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.065 17.029 -2.744 1.00 0.00 H new ATOM 810 N GLY A 53 -12.227 14.193 -5.632 1.00 0.00 N ATOM 811 CA GLY A 53 -10.915 14.784 -5.816 1.00 0.00 C ATOM 812 C GLY A 53 -10.116 14.830 -4.527 1.00 0.00 C ATOM 813 O GLY A 53 -8.948 15.217 -4.528 1.00 0.00 O ATOM 0 H GLY A 53 -12.268 13.185 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.363 14.212 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.027 15.795 -6.208 1.00 0.00 H new ATOM 817 N ARG A 54 -10.747 14.433 -3.426 1.00 0.00 N ATOM 818 CA ARG A 54 -10.090 14.429 -2.126 1.00 0.00 C ATOM 819 C ARG A 54 -10.057 13.022 -1.544 1.00 0.00 C ATOM 820 O ARG A 54 -10.395 12.053 -2.223 1.00 0.00 O ATOM 821 CB ARG A 54 -10.815 15.372 -1.163 1.00 0.00 C ATOM 822 CG ARG A 54 -11.287 16.664 -1.811 1.00 0.00 C ATOM 823 CD ARG A 54 -11.839 17.638 -0.781 1.00 0.00 C ATOM 824 NE ARG A 54 -10.932 18.758 -0.547 1.00 0.00 N ATOM 825 CZ ARG A 54 -11.277 19.869 0.103 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.505 20.009 0.584 1.00 0.00 N ATOM 827 NH2 ARG A 54 -10.390 20.840 0.271 1.00 0.00 N ATOM 0 H ARG A 54 -11.714 14.110 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.065 14.775 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.675 14.853 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.149 15.614 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.457 17.129 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.056 16.441 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.803 18.017 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.016 17.112 0.157 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.978 18.686 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.190 19.264 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.764 20.861 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.444 20.736 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.653 21.691 0.768 1.00 0.00 H new ATOM 841 N LYS A 55 -9.647 12.915 -0.281 1.00 0.00 N ATOM 842 CA LYS A 55 -9.565 11.621 0.399 1.00 0.00 C ATOM 843 C LYS A 55 -9.031 10.536 -0.539 1.00 0.00 C ATOM 844 O LYS A 55 -9.796 9.733 -1.071 1.00 0.00 O ATOM 845 CB LYS A 55 -10.941 11.217 0.935 1.00 0.00 C ATOM 846 CG LYS A 55 -11.081 11.386 2.439 1.00 0.00 C ATOM 847 CD LYS A 55 -10.730 12.800 2.880 1.00 0.00 C ATOM 848 CE LYS A 55 -9.434 12.830 3.677 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.467 13.857 4.757 1.00 0.00 N ATOM 0 H LYS A 55 -9.366 13.709 0.294 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.870 11.723 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.705 11.814 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.132 10.176 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.103 11.154 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.431 10.674 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.635 13.442 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.540 13.205 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.255 11.848 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.600 13.036 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.566 13.844 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.612 14.797 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.246 13.646 5.413 1.00 0.00 H new ATOM 863 N THR A 56 -7.717 10.526 -0.743 1.00 0.00 N ATOM 864 CA THR A 56 -7.087 9.552 -1.621 1.00 0.00 C ATOM 865 C THR A 56 -6.677 8.306 -0.843 1.00 0.00 C ATOM 866 O THR A 56 -6.060 8.399 0.217 1.00 0.00 O ATOM 867 CB THR A 56 -5.865 10.177 -2.298 1.00 0.00 C ATOM 868 OG1 THR A 56 -5.848 11.581 -2.108 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.803 9.918 -3.786 1.00 0.00 C ATOM 0 H THR A 56 -7.069 11.184 -0.310 1.00 0.00 H new ATOM 0 HA THR A 56 -7.807 9.256 -2.383 1.00 0.00 H new ATOM 0 HB THR A 56 -5.004 9.702 -1.827 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.058 11.961 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.912 10.390 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.763 8.844 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.690 10.334 -4.265 1.00 0.00 H new ATOM 877 N LEU A 57 -7.028 7.140 -1.375 1.00 0.00 N ATOM 878 CA LEU A 57 -6.697 5.876 -0.727 1.00 0.00 C ATOM 879 C LEU A 57 -6.205 4.849 -1.747 1.00 0.00 C ATOM 880 O LEU A 57 -7.000 4.148 -2.371 1.00 0.00 O ATOM 881 CB LEU A 57 -7.919 5.333 0.017 1.00 0.00 C ATOM 882 CG LEU A 57 -7.920 5.574 1.527 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.285 5.250 2.116 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.835 4.747 2.198 1.00 0.00 C ATOM 0 H LEU A 57 -7.541 7.044 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.894 6.059 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.815 5.786 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.988 4.260 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.709 6.628 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.269 5.427 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.040 5.886 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.525 4.204 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.850 4.931 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.014 3.689 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.862 5.028 1.795 1.00 0.00 H new ATOM 896 N THR A 58 -4.890 4.767 -1.915 1.00 0.00 N ATOM 897 CA THR A 58 -4.299 3.828 -2.865 1.00 0.00 C ATOM 898 C THR A 58 -4.483 2.384 -2.408 1.00 0.00 C ATOM 899 O THR A 58 -4.400 2.085 -1.218 1.00 0.00 O ATOM 900 CB THR A 58 -2.811 4.132 -3.048 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.619 5.481 -3.438 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.145 3.255 -4.086 1.00 0.00 C ATOM 0 H THR A 58 -4.213 5.337 -1.408 1.00 0.00 H new ATOM 0 HA THR A 58 -4.813 3.948 -3.819 1.00 0.00 H new ATOM 0 HB THR A 58 -2.354 3.932 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.807 6.071 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.091 3.522 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.232 2.210 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.631 3.400 -5.051 1.00 0.00 H new ATOM 910 N THR A 59 -4.731 1.491 -3.362 1.00 0.00 N ATOM 911 CA THR A 59 -4.921 0.076 -3.056 1.00 0.00 C ATOM 912 C THR A 59 -3.975 -0.792 -3.879 1.00 0.00 C ATOM 913 O THR A 59 -3.691 -0.493 -5.038 1.00 0.00 O ATOM 914 CB THR A 59 -6.368 -0.345 -3.320 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.968 0.496 -4.290 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.235 -0.309 -2.081 1.00 0.00 C ATOM 0 H THR A 59 -4.805 1.722 -4.353 1.00 0.00 H new ATOM 0 HA THR A 59 -4.697 -0.067 -1.999 1.00 0.00 H new ATOM 0 HB THR A 59 -6.309 -1.374 -3.674 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.892 0.209 -4.445 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.248 -0.618 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.827 -0.987 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.255 0.705 -1.681 1.00 0.00 H new ATOM 924 N VAL A 60 -3.493 -1.869 -3.269 1.00 0.00 N ATOM 925 CA VAL A 60 -2.580 -2.786 -3.941 1.00 0.00 C ATOM 926 C VAL A 60 -3.179 -4.186 -4.038 1.00 0.00 C ATOM 927 O VAL A 60 -3.557 -4.783 -3.031 1.00 0.00 O ATOM 928 CB VAL A 60 -1.226 -2.866 -3.211 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.270 -3.808 -3.931 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.618 -1.481 -3.081 1.00 0.00 C ATOM 0 H VAL A 60 -3.720 -2.129 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.419 -2.394 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.399 -3.267 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.678 -3.845 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.704 -4.807 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.098 -3.447 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.339 -1.551 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.464 -1.057 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.292 -0.840 -2.513 1.00 0.00 H new ATOM 940 N GLN A 61 -3.253 -4.703 -5.259 1.00 0.00 N ATOM 941 CA GLN A 61 -3.798 -6.036 -5.496 1.00 0.00 C ATOM 942 C GLN A 61 -2.744 -6.938 -6.119 1.00 0.00 C ATOM 943 O GLN A 61 -1.991 -6.518 -6.997 1.00 0.00 O ATOM 944 CB GLN A 61 -5.032 -5.975 -6.406 1.00 0.00 C ATOM 945 CG GLN A 61 -5.567 -4.572 -6.631 1.00 0.00 C ATOM 946 CD GLN A 61 -6.553 -4.485 -7.784 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.675 -3.446 -8.431 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.265 -5.577 -8.047 1.00 0.00 N ATOM 0 H GLN A 61 -2.942 -4.219 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.099 -6.449 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.781 -6.416 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.821 -6.588 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.053 -4.225 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.732 -3.898 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.134 -6.419 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.942 -5.573 -8.809 1.00 0.00 H new ATOM 957 N GLY A 62 -2.694 -8.179 -5.656 1.00 0.00 N ATOM 958 CA GLY A 62 -1.727 -9.121 -6.174 1.00 0.00 C ATOM 959 C GLY A 62 -0.732 -9.555 -5.118 1.00 0.00 C ATOM 960 O GLY A 62 -0.175 -10.651 -5.189 1.00 0.00 O ATOM 0 H GLY A 62 -3.307 -8.549 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.247 -9.996 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.193 -8.669 -7.010 1.00 0.00 H new ATOM 964 N ILE A 63 -0.511 -8.688 -4.136 1.00 0.00 N ATOM 965 CA ILE A 63 0.420 -8.975 -3.053 1.00 0.00 C ATOM 966 C ILE A 63 -0.046 -10.176 -2.237 1.00 0.00 C ATOM 967 O ILE A 63 -1.244 -10.379 -2.035 1.00 0.00 O ATOM 968 CB ILE A 63 0.590 -7.745 -2.130 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.249 -6.592 -2.899 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.403 -8.094 -0.890 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.411 -7.023 -3.768 1.00 0.00 C ATOM 0 H ILE A 63 -0.966 -7.778 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 63 1.385 -9.211 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.400 -7.429 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.499 -6.109 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.598 -5.845 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.505 -7.210 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.895 -8.880 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.391 -8.443 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.825 -6.154 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.181 -7.479 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.065 -7.747 -4.505 1.00 0.00 H new ATOM 983 N ALA A 64 0.912 -10.973 -1.777 1.00 0.00 N ATOM 984 CA ALA A 64 0.610 -12.159 -0.989 1.00 0.00 C ATOM 985 C ALA A 64 0.453 -11.816 0.486 1.00 0.00 C ATOM 986 O ALA A 64 1.293 -11.128 1.067 1.00 0.00 O ATOM 987 CB ALA A 64 1.701 -13.201 -1.174 1.00 0.00 C ATOM 0 H ALA A 64 1.907 -10.817 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.337 -12.567 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.465 -14.084 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.765 -13.478 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.656 -12.789 -0.848 1.00 0.00 H new ATOM 993 N ASP A 65 -0.622 -12.308 1.090 1.00 0.00 N ATOM 994 CA ASP A 65 -0.882 -12.062 2.503 1.00 0.00 C ATOM 995 C ASP A 65 0.243 -12.628 3.366 1.00 0.00 C ATOM 996 O ASP A 65 0.407 -12.239 4.522 1.00 0.00 O ATOM 997 CB ASP A 65 -2.219 -12.682 2.914 1.00 0.00 C ATOM 998 CG ASP A 65 -2.801 -12.030 4.153 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.029 -11.423 4.924 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.031 -12.128 4.352 1.00 0.00 O ATOM 0 H ASP A 65 -1.327 -12.879 0.624 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.929 -10.984 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.928 -12.590 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.081 -13.748 3.098 1.00 0.00 H new ATOM 1005 N ASP A 66 1.018 -13.549 2.795 1.00 0.00 N ATOM 1006 CA ASP A 66 2.128 -14.166 3.510 1.00 0.00 C ATOM 1007 C ASP A 66 3.229 -13.149 3.791 1.00 0.00 C ATOM 1008 O ASP A 66 4.048 -13.343 4.691 1.00 0.00 O ATOM 1009 CB ASP A 66 2.693 -15.338 2.706 1.00 0.00 C ATOM 1010 CG ASP A 66 1.841 -16.586 2.826 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.845 -16.699 2.080 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.169 -17.451 3.665 1.00 0.00 O ATOM 0 H ASP A 66 0.895 -13.883 1.839 1.00 0.00 H new ATOM 0 HA ASP A 66 1.750 -14.537 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.768 -15.052 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.704 -15.557 3.050 1.00 0.00 H new ATOM 1017 N TYR A 67 3.248 -12.063 3.019 1.00 0.00 N ATOM 1018 CA TYR A 67 4.250 -11.018 3.189 1.00 0.00 C ATOM 1019 C TYR A 67 4.363 -10.604 4.655 1.00 0.00 C ATOM 1020 O TYR A 67 3.575 -11.039 5.494 1.00 0.00 O ATOM 1021 CB TYR A 67 3.893 -9.802 2.329 1.00 0.00 C ATOM 1022 CG TYR A 67 4.115 -10.005 0.843 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.324 -11.273 0.306 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.115 -8.922 -0.024 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.526 -11.448 -1.051 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.314 -9.089 -1.379 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.520 -10.353 -1.888 1.00 0.00 C ATOM 1028 OH TYR A 67 4.720 -10.524 -3.239 1.00 0.00 O ATOM 0 H TYR A 67 2.579 -11.886 2.270 1.00 0.00 H new ATOM 0 HA TYR A 67 5.214 -11.414 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.847 -9.547 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.486 -8.950 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.328 -12.133 0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.956 -7.929 0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.688 -12.437 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.308 -8.233 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 67 5.361 -9.857 -3.562 1.00 0.00 H new ATOM 1038 N ASP A 68 5.347 -9.765 4.956 1.00 0.00 N ATOM 1039 CA ASP A 68 5.563 -9.297 6.322 1.00 0.00 C ATOM 1040 C ASP A 68 4.281 -8.715 6.916 1.00 0.00 C ATOM 1041 O ASP A 68 4.095 -8.721 8.132 1.00 0.00 O ATOM 1042 CB ASP A 68 6.677 -8.248 6.356 1.00 0.00 C ATOM 1043 CG ASP A 68 6.555 -7.235 5.234 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.438 -7.074 4.699 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.576 -6.605 4.888 1.00 0.00 O ATOM 0 H ASP A 68 6.008 -9.394 4.274 1.00 0.00 H new ATOM 0 HA ASP A 68 5.861 -10.155 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.654 -7.729 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.644 -8.747 6.287 1.00 0.00 H new ATOM 1050 N LYS A 69 3.403 -8.215 6.050 1.00 0.00 N ATOM 1051 CA LYS A 69 2.141 -7.629 6.491 1.00 0.00 C ATOM 1052 C LYS A 69 2.389 -6.376 7.325 1.00 0.00 C ATOM 1053 O LYS A 69 2.220 -5.254 6.844 1.00 0.00 O ATOM 1054 CB LYS A 69 1.327 -8.649 7.293 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.092 -8.830 6.779 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.989 -9.473 7.827 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.261 -8.669 8.047 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.599 -8.547 9.491 1.00 0.00 N ATOM 0 H LYS A 69 3.542 -8.204 5.040 1.00 0.00 H new ATOM 0 HA LYS A 69 1.570 -7.346 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.839 -9.611 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.290 -8.334 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.502 -7.862 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.079 -9.449 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.247 -10.485 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.446 -9.559 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.140 -7.675 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.087 -9.146 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.472 -7.992 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.739 -9.495 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.822 -8.069 9.990 1.00 0.00 H new ATOM 1072 N LYS A 70 2.803 -6.572 8.576 1.00 0.00 N ATOM 1073 CA LYS A 70 3.086 -5.454 9.468 1.00 0.00 C ATOM 1074 C LYS A 70 4.111 -4.520 8.837 1.00 0.00 C ATOM 1075 O LYS A 70 3.827 -3.351 8.582 1.00 0.00 O ATOM 1076 CB LYS A 70 3.601 -5.964 10.815 1.00 0.00 C ATOM 1077 CG LYS A 70 2.520 -6.592 11.682 1.00 0.00 C ATOM 1078 CD LYS A 70 2.787 -8.069 11.926 1.00 0.00 C ATOM 1079 CE LYS A 70 3.445 -8.300 13.277 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.992 -9.572 13.905 1.00 0.00 N ATOM 0 H LYS A 70 2.949 -7.492 8.992 1.00 0.00 H new ATOM 0 HA LYS A 70 2.161 -4.901 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.387 -6.699 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.055 -5.135 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.468 -6.068 12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.550 -6.472 11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.849 -8.622 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.429 -8.459 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.528 -8.321 13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.215 -7.466 13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.463 -9.693 14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.962 -9.542 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.234 -10.371 13.285 1.00 0.00 H new ATOM 1094 N LYS A 71 5.300 -5.051 8.575 1.00 0.00 N ATOM 1095 CA LYS A 71 6.366 -4.272 7.959 1.00 0.00 C ATOM 1096 C LYS A 71 5.937 -3.763 6.585 1.00 0.00 C ATOM 1097 O LYS A 71 6.480 -2.783 6.079 1.00 0.00 O ATOM 1098 CB LYS A 71 7.635 -5.116 7.832 1.00 0.00 C ATOM 1099 CG LYS A 71 8.919 -4.309 7.946 1.00 0.00 C ATOM 1100 CD LYS A 71 9.531 -4.426 9.334 1.00 0.00 C ATOM 1101 CE LYS A 71 9.335 -3.154 10.141 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.410 -2.158 9.879 1.00 0.00 N ATOM 0 H LYS A 71 5.549 -6.019 8.780 1.00 0.00 H new ATOM 0 HA LYS A 71 6.574 -3.414 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.629 -5.884 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.624 -5.631 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.635 -4.656 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.712 -3.262 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.079 -5.266 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.596 -4.641 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.367 -2.716 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.317 -3.397 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.239 -1.305 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.332 -2.566 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.411 -1.906 8.870 1.00 0.00 H new ATOM 1116 N LEU A 72 4.956 -4.438 5.988 1.00 0.00 N ATOM 1117 CA LEU A 72 4.452 -4.054 4.673 1.00 0.00 C ATOM 1118 C LEU A 72 3.983 -2.602 4.669 1.00 0.00 C ATOM 1119 O LEU A 72 4.551 -1.759 3.974 1.00 0.00 O ATOM 1120 CB LEU A 72 3.302 -4.977 4.258 1.00 0.00 C ATOM 1121 CG LEU A 72 3.076 -5.098 2.749 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.876 -5.986 2.459 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.885 -3.721 2.133 1.00 0.00 C ATOM 0 H LEU A 72 4.496 -5.252 6.394 1.00 0.00 H new ATOM 0 HA LEU A 72 5.267 -4.152 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.492 -5.972 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.383 -4.616 4.719 1.00 0.00 H new ATOM 0 HG LEU A 72 3.957 -5.558 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.730 -6.061 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.051 -6.980 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.985 -5.555 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.725 -3.822 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.019 -3.237 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.774 -3.116 2.312 1.00 0.00 H new ATOM 1135 N VAL A 73 2.947 -2.312 5.451 1.00 0.00 N ATOM 1136 CA VAL A 73 2.412 -0.953 5.532 1.00 0.00 C ATOM 1137 C VAL A 73 3.153 -0.128 6.580 1.00 0.00 C ATOM 1138 O VAL A 73 3.235 1.096 6.474 1.00 0.00 O ATOM 1139 CB VAL A 73 0.900 -0.931 5.856 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.079 -0.956 4.575 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.514 -2.087 6.768 1.00 0.00 C ATOM 0 H VAL A 73 2.463 -2.994 6.035 1.00 0.00 H new ATOM 0 HA VAL A 73 2.560 -0.514 4.545 1.00 0.00 H new ATOM 0 HB VAL A 73 0.683 -0.004 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.982 -0.940 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.323 -0.083 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.307 -1.862 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.555 -2.044 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.750 -3.032 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.070 -2.014 7.703 1.00 0.00 H new ATOM 1151 N LYS A 74 3.694 -0.803 7.591 1.00 0.00 N ATOM 1152 CA LYS A 74 4.429 -0.123 8.652 1.00 0.00 C ATOM 1153 C LYS A 74 5.594 0.676 8.081 1.00 0.00 C ATOM 1154 O LYS A 74 5.836 1.815 8.484 1.00 0.00 O ATOM 1155 CB LYS A 74 4.948 -1.135 9.674 1.00 0.00 C ATOM 1156 CG LYS A 74 5.685 -0.497 10.840 1.00 0.00 C ATOM 1157 CD LYS A 74 6.111 -1.535 11.869 1.00 0.00 C ATOM 1158 CE LYS A 74 5.492 -1.265 13.233 1.00 0.00 C ATOM 1159 NZ LYS A 74 4.633 -2.392 13.686 1.00 0.00 N ATOM 0 H LYS A 74 3.637 -1.816 7.697 1.00 0.00 H new ATOM 0 HA LYS A 74 3.744 0.566 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.108 -1.714 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.615 -1.836 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.564 0.032 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.043 0.245 11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.818 -2.528 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.197 -1.536 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.283 -1.095 13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.899 -0.352 13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.231 -2.169 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.863 -2.538 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.204 -3.258 13.754 1.00 0.00 H new ATOM 1173 N ALA A 75 6.314 0.074 7.140 1.00 0.00 N ATOM 1174 CA ALA A 75 7.454 0.734 6.514 1.00 0.00 C ATOM 1175 C ALA A 75 7.000 1.920 5.672 1.00 0.00 C ATOM 1176 O ALA A 75 7.713 2.917 5.548 1.00 0.00 O ATOM 1177 CB ALA A 75 8.237 -0.253 5.664 1.00 0.00 C ATOM 0 H ALA A 75 6.129 -0.868 6.795 1.00 0.00 H new ATOM 0 HA ALA A 75 8.106 1.108 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.084 0.255 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.599 -1.067 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.590 -0.656 4.885 1.00 0.00 H new ATOM 1183 N PHE A 76 5.807 1.809 5.097 1.00 0.00 N ATOM 1184 CA PHE A 76 5.253 2.873 4.268 1.00 0.00 C ATOM 1185 C PHE A 76 5.126 4.167 5.065 1.00 0.00 C ATOM 1186 O PHE A 76 5.644 5.210 4.668 1.00 0.00 O ATOM 1187 CB PHE A 76 3.883 2.465 3.727 1.00 0.00 C ATOM 1188 CG PHE A 76 3.542 3.119 2.421 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.980 2.573 1.228 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.791 4.284 2.387 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.678 3.174 0.023 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.484 4.890 1.183 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.929 4.334 0.000 1.00 0.00 C ATOM 0 H PHE A 76 5.204 0.991 5.190 1.00 0.00 H new ATOM 0 HA PHE A 76 5.933 3.041 3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.858 1.383 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.119 2.718 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.565 1.665 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.442 4.722 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.027 2.738 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.897 5.797 1.168 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.692 4.806 -0.942 1.00 0.00 H new ATOM 1203 N LYS A 77 4.431 4.085 6.195 1.00 0.00 N ATOM 1204 CA LYS A 77 4.227 5.242 7.059 1.00 0.00 C ATOM 1205 C LYS A 77 5.557 5.821 7.539 1.00 0.00 C ATOM 1206 O LYS A 77 5.616 6.962 7.996 1.00 0.00 O ATOM 1207 CB LYS A 77 3.368 4.851 8.262 1.00 0.00 C ATOM 1208 CG LYS A 77 2.036 4.225 7.879 1.00 0.00 C ATOM 1209 CD LYS A 77 1.929 2.790 8.371 1.00 0.00 C ATOM 1210 CE LYS A 77 1.395 2.724 9.792 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.054 2.385 9.826 1.00 0.00 N ATOM 0 H LYS A 77 3.998 3.226 6.535 1.00 0.00 H new ATOM 0 HA LYS A 77 3.714 6.008 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.925 4.149 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.183 5.737 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.222 4.816 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.921 4.248 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.273 2.226 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.910 2.316 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.955 1.978 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.555 3.683 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.379 2.350 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.592 3.110 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.204 1.458 9.379 1.00 0.00 H new ATOM 1225 N LYS A 78 6.622 5.031 7.441 1.00 0.00 N ATOM 1226 CA LYS A 78 7.941 5.474 7.874 1.00 0.00 C ATOM 1227 C LYS A 78 8.762 6.011 6.702 1.00 0.00 C ATOM 1228 O LYS A 78 9.727 6.749 6.899 1.00 0.00 O ATOM 1229 CB LYS A 78 8.691 4.321 8.542 1.00 0.00 C ATOM 1230 CG LYS A 78 8.085 3.890 9.869 1.00 0.00 C ATOM 1231 CD LYS A 78 9.009 4.203 11.035 1.00 0.00 C ATOM 1232 CE LYS A 78 8.226 4.626 12.268 1.00 0.00 C ATOM 1233 NZ LYS A 78 8.868 5.773 12.967 1.00 0.00 N ATOM 0 H LYS A 78 6.597 4.083 7.066 1.00 0.00 H new ATOM 0 HA LYS A 78 7.801 6.283 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.706 3.467 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.727 4.618 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.130 4.396 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.879 2.820 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.612 3.325 11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.699 4.997 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.212 4.900 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.145 3.782 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.304 6.031 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.827 5.504 13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.923 6.587 12.321 1.00 0.00 H new ATOM 1247 N LYS A 79 8.382 5.631 5.485 1.00 0.00 N ATOM 1248 CA LYS A 79 9.098 6.073 4.292 1.00 0.00 C ATOM 1249 C LYS A 79 8.357 7.201 3.577 1.00 0.00 C ATOM 1250 O LYS A 79 8.979 8.056 2.946 1.00 0.00 O ATOM 1251 CB LYS A 79 9.306 4.899 3.333 1.00 0.00 C ATOM 1252 CG LYS A 79 10.281 5.200 2.207 1.00 0.00 C ATOM 1253 CD LYS A 79 10.236 4.131 1.127 1.00 0.00 C ATOM 1254 CE LYS A 79 11.093 4.510 -0.071 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.486 4.851 0.328 1.00 0.00 N ATOM 0 H LYS A 79 7.586 5.021 5.299 1.00 0.00 H new ATOM 0 HA LYS A 79 10.067 6.456 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.669 4.040 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.345 4.616 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.044 6.170 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.292 5.270 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.583 3.183 1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.205 3.981 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.111 3.683 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.644 5.360 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.152 4.460 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.593 5.885 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.688 4.447 1.265 1.00 0.00 H new ATOM 1269 N PHE A 80 7.031 7.197 3.668 1.00 0.00 N ATOM 1270 CA PHE A 80 6.221 8.222 3.014 1.00 0.00 C ATOM 1271 C PHE A 80 5.464 9.080 4.025 1.00 0.00 C ATOM 1272 O PHE A 80 4.983 10.162 3.689 1.00 0.00 O ATOM 1273 CB PHE A 80 5.234 7.574 2.043 1.00 0.00 C ATOM 1274 CG PHE A 80 5.868 6.572 1.123 1.00 0.00 C ATOM 1275 CD1 PHE A 80 5.958 5.239 1.487 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.374 6.965 -0.106 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.540 4.314 0.643 1.00 0.00 C ATOM 1278 CE2 PHE A 80 6.960 6.045 -0.954 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.043 4.718 -0.581 1.00 0.00 C ATOM 0 H PHE A 80 6.495 6.500 4.185 1.00 0.00 H new ATOM 0 HA PHE A 80 6.900 8.874 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.445 7.083 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.759 8.353 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.568 4.919 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.310 8.001 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.602 3.277 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.353 6.364 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.499 3.997 -1.243 1.00 0.00 H new ATOM 1289 N ALA A 81 5.350 8.596 5.259 1.00 0.00 N ATOM 1290 CA ALA A 81 4.639 9.329 6.302 1.00 0.00 C ATOM 1291 C ALA A 81 3.136 9.303 6.056 1.00 0.00 C ATOM 1292 O ALA A 81 2.414 10.215 6.461 1.00 0.00 O ATOM 1293 CB ALA A 81 5.139 10.766 6.383 1.00 0.00 C ATOM 0 H ALA A 81 5.739 7.703 5.560 1.00 0.00 H new ATOM 0 HA ALA A 81 4.838 8.838 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.597 11.296 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.204 10.768 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.974 11.263 5.427 1.00 0.00 H new ATOM 1299 N CYS A 82 2.669 8.250 5.393 1.00 0.00 N ATOM 1300 CA CYS A 82 1.250 8.099 5.093 1.00 0.00 C ATOM 1301 C CYS A 82 0.612 7.066 6.015 1.00 0.00 C ATOM 1302 O CYS A 82 1.205 6.666 7.017 1.00 0.00 O ATOM 1303 CB CYS A 82 1.058 7.690 3.631 1.00 0.00 C ATOM 1304 SG CYS A 82 1.990 8.698 2.455 1.00 0.00 S ATOM 0 H CYS A 82 3.254 7.487 5.053 1.00 0.00 H new ATOM 0 HA CYS A 82 0.760 9.059 5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.354 6.648 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.002 7.750 3.384 1.00 0.00 H new ATOM 0 HG CYS A 82 1.260 8.925 1.404 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.597 6.634 5.673 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.309 5.646 6.471 1.00 0.00 C ATOM 1312 C ASN A 83 -1.585 4.391 5.643 1.00 0.00 C ATOM 1313 O ASN A 83 -2.282 4.445 4.630 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.612 6.250 7.014 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.736 5.239 7.145 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.372 4.921 6.026 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.026 4.751 8.238 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.104 6.954 4.847 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.687 5.357 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.418 6.695 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.933 7.056 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.508 5.026 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.784 4.072 8.308 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.029 3.266 6.081 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.224 2.016 5.370 1.00 0.00 C ATOM 1326 C GLY A 84 -2.078 1.036 6.149 1.00 0.00 C ATOM 1327 O GLY A 84 -1.711 0.624 7.250 1.00 0.00 O ATOM 0 H GLY A 84 -0.447 3.198 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.694 2.218 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.254 1.564 5.163 1.00 0.00 H new ATOM 1331 N THR A 85 -3.221 0.667 5.581 1.00 0.00 N ATOM 1332 CA THR A 85 -4.130 -0.268 6.237 1.00 0.00 C ATOM 1333 C THR A 85 -4.447 -1.455 5.333 1.00 0.00 C ATOM 1334 O THR A 85 -4.575 -1.307 4.121 1.00 0.00 O ATOM 1335 CB THR A 85 -5.425 0.443 6.634 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.074 0.974 5.491 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.210 1.580 7.609 1.00 0.00 C ATOM 0 H THR A 85 -3.540 0.999 4.671 1.00 0.00 H new ATOM 0 HA THR A 85 -3.636 -0.643 7.133 1.00 0.00 H new ATOM 0 HB THR A 85 -6.036 -0.318 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.901 1.424 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.169 2.040 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.754 1.196 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.552 2.324 7.161 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.579 -2.633 5.937 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.889 -3.847 5.192 1.00 0.00 C ATOM 1347 C VAL A 86 -6.381 -4.155 5.259 1.00 0.00 C ATOM 1348 O VAL A 86 -6.872 -4.664 6.266 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.106 -5.058 5.716 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -3.565 -5.889 4.562 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -2.980 -4.637 6.653 1.00 0.00 C ATOM 0 H VAL A 86 -4.476 -2.771 6.942 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.595 -3.664 4.159 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.798 -5.673 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.013 -6.743 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.394 -6.244 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.900 -5.277 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.448 -5.522 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.288 -3.985 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.397 -4.103 7.506 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.101 -3.841 4.185 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.539 -4.086 4.136 1.00 0.00 C ATOM 1363 C ILE A 87 -8.885 -5.148 3.097 1.00 0.00 C ATOM 1364 O ILE A 87 -8.151 -5.350 2.130 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.341 -2.789 3.843 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -9.491 -2.541 2.335 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.678 -1.593 4.507 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -8.175 -2.415 1.601 1.00 0.00 C ATOM 0 H ILE A 87 -6.714 -3.418 3.341 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.825 -4.448 5.123 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.340 -2.921 4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.063 -3.359 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.070 -1.630 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.253 -0.692 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.640 -1.750 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.665 -1.478 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.364 -2.241 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.609 -1.579 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.602 -3.334 1.721 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.015 -5.815 3.300 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.468 -6.846 2.377 1.00 0.00 C ATOM 1382 C GLU A 88 -11.491 -6.274 1.405 1.00 0.00 C ATOM 1383 O GLU A 88 -12.691 -6.521 1.527 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.070 -8.025 3.141 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.805 -9.366 2.480 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.997 -10.533 3.428 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.004 -10.539 4.167 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.139 -11.440 3.433 1.00 0.00 O ATOM 0 H GLU A 88 -10.634 -5.660 4.096 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.607 -7.202 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.664 -8.039 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.146 -7.879 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.472 -9.484 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.786 -9.381 2.093 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.003 -5.501 0.443 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.862 -4.877 -0.557 1.00 0.00 C ATOM 1397 C HIS A 89 -12.815 -5.894 -1.186 1.00 0.00 C ATOM 1398 O HIS A 89 -12.430 -7.031 -1.454 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.003 -4.227 -1.641 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.613 -2.996 -2.232 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.170 -2.967 -3.492 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.755 -1.747 -1.729 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.630 -1.753 -3.740 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.390 -0.994 -2.686 1.00 0.00 N ATOM 0 H HIS A 89 -10.011 -5.290 0.334 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.464 -4.116 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.031 -3.973 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.826 -4.952 -2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.430 -1.407 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.119 -1.436 -4.649 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.636 -0.008 -2.597 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.076 -5.494 -1.432 1.00 0.00 N ATOM 1414 CA PRO A 90 -15.078 -6.375 -2.034 1.00 0.00 C ATOM 1415 C PRO A 90 -14.901 -6.504 -3.544 1.00 0.00 C ATOM 1416 O PRO A 90 -15.376 -7.462 -4.155 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.393 -5.672 -1.708 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.039 -4.225 -1.659 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.623 -4.153 -1.145 1.00 0.00 C ATOM 0 HA PRO A 90 -15.014 -7.395 -1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.149 -5.870 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.801 -6.014 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.117 -3.772 -2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.719 -3.680 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.054 -3.372 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.595 -3.929 -0.079 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.216 -5.533 -4.139 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.973 -5.532 -5.576 1.00 0.00 C ATOM 1429 C GLU A 91 -12.802 -6.444 -5.935 1.00 0.00 C ATOM 1430 O GLU A 91 -12.695 -6.914 -7.067 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.695 -4.107 -6.058 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.671 -3.617 -7.114 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.247 -3.993 -8.521 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.368 -3.304 -9.080 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.796 -4.974 -9.064 1.00 0.00 O ATOM 0 H GLU A 91 -13.818 -4.734 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.865 -5.913 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.729 -3.431 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.684 -4.060 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.658 -4.034 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.762 -2.533 -7.044 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.921 -6.682 -4.966 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.753 -7.528 -5.188 1.00 0.00 C ATOM 1444 C TYR A 92 -10.770 -8.744 -4.266 1.00 0.00 C ATOM 1445 O TYR A 92 -10.586 -9.876 -4.713 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.473 -6.717 -4.975 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.596 -5.278 -5.426 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.198 -4.964 -6.638 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.122 -4.236 -4.639 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.322 -3.652 -7.054 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.242 -2.922 -5.048 1.00 0.00 C ATOM 1452 CZ TYR A 92 -9.843 -2.635 -6.257 1.00 0.00 C ATOM 1453 OH TYR A 92 -9.965 -1.328 -6.667 1.00 0.00 O ATOM 0 H TYR A 92 -11.994 -6.302 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.782 -7.888 -6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.209 -6.738 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.655 -7.192 -5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.575 -5.758 -7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.652 -4.457 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.792 -3.425 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.867 -2.123 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.578 -0.735 -5.990 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.994 -8.506 -2.978 1.00 0.00 N ATOM 1464 CA GLY A 93 -11.034 -9.596 -2.019 1.00 0.00 C ATOM 1465 C GLY A 93 -9.928 -9.514 -0.984 1.00 0.00 C ATOM 1466 O GLY A 93 -9.991 -10.182 0.047 1.00 0.00 O ATOM 0 H GLY A 93 -11.148 -7.579 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.999 -9.592 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.957 -10.544 -2.551 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.913 -8.699 -1.256 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.789 -8.533 -0.337 1.00 0.00 C ATOM 1472 C GLU A 94 -6.743 -7.597 -0.933 1.00 0.00 C ATOM 1473 O GLU A 94 -6.084 -7.936 -1.916 1.00 0.00 O ATOM 1474 CB GLU A 94 -7.148 -9.889 -0.019 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.951 -9.791 0.913 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.741 -11.053 1.726 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -5.190 -12.029 1.176 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.128 -11.065 2.914 1.00 0.00 O ATOM 0 H GLU A 94 -8.845 -8.141 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.170 -8.096 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.897 -10.539 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.835 -10.361 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.055 -9.587 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.089 -8.947 1.588 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.594 -6.417 -0.337 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.627 -5.441 -0.824 1.00 0.00 C ATOM 1487 C VAL A 95 -5.199 -4.483 0.283 1.00 0.00 C ATOM 1488 O VAL A 95 -5.929 -4.271 1.251 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.203 -4.626 -1.997 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.498 -5.535 -3.180 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.457 -3.883 -1.564 1.00 0.00 C ATOM 0 H VAL A 95 -7.127 -6.116 0.479 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.757 -6.002 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.460 -3.891 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.904 -4.944 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.578 -6.021 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.224 -6.293 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.851 -3.312 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.207 -4.599 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.214 -3.204 -0.747 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.016 -3.899 0.128 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.499 -2.954 1.108 1.00 0.00 C ATOM 1503 C ILE A 96 -3.917 -1.536 0.738 1.00 0.00 C ATOM 1504 O ILE A 96 -3.627 -1.058 -0.358 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.957 -3.059 1.232 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.595 -3.888 2.469 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.296 -1.684 1.290 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.798 -3.158 3.779 1.00 0.00 C ATOM 0 H ILE A 96 -3.398 -4.064 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.924 -3.203 2.080 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.578 -3.557 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.197 -4.797 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.552 -4.197 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.216 -1.803 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.528 -1.130 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.671 -1.136 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.520 -3.811 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.175 -2.264 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.845 -2.873 3.878 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.617 -0.878 1.653 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.096 0.476 1.419 1.00 0.00 C ATOM 1522 C GLN A 97 -4.158 1.518 2.019 1.00 0.00 C ATOM 1523 O GLN A 97 -3.986 1.589 3.236 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.500 0.647 2.010 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.555 1.025 0.983 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.897 1.337 1.614 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.896 2.233 2.595 1.00 0.00 O flip ATOM 1528 NE2 GLN A 97 -9.923 0.780 1.225 1.00 0.00 N flip ATOM 0 H GLN A 97 -4.865 -1.262 2.565 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.129 0.632 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.796 -0.283 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.468 1.414 2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.213 1.892 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.673 0.208 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.877 0.098 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.819 1.001 1.659 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.573 2.339 1.156 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.675 3.396 1.594 1.00 0.00 C ATOM 1539 C LEU A 98 -3.389 4.736 1.534 1.00 0.00 C ATOM 1540 O LEU A 98 -4.372 4.889 0.812 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.425 3.447 0.718 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.800 2.092 0.397 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.237 2.089 -1.017 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.284 1.758 1.410 1.00 0.00 C ATOM 0 H LEU A 98 -3.706 2.291 0.146 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.373 3.184 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.678 3.944 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.678 4.065 1.215 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.574 1.327 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.205 1.116 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.039 2.287 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.526 2.862 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.721 0.789 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.059 2.524 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.150 1.722 2.409 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.893 5.704 2.287 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.495 7.032 2.303 1.00 0.00 C ATOM 1558 C GLN A 99 -2.756 7.973 1.356 1.00 0.00 C ATOM 1559 O GLN A 99 -1.529 8.061 1.383 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.491 7.601 3.723 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.881 7.882 4.270 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.224 9.359 4.258 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.950 10.079 5.218 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.826 9.818 3.167 1.00 0.00 N ATOM 0 H GLN A 99 -2.079 5.599 2.893 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.527 6.943 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.984 6.899 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.912 8.524 3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.617 7.337 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.949 7.505 5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.034 9.185 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.080 10.804 3.101 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.513 8.669 0.514 1.00 0.00 N ATOM 1574 CA GLY A 100 -2.914 9.591 -0.434 1.00 0.00 C ATOM 1575 C GLY A 100 -2.634 8.935 -1.771 1.00 0.00 C ATOM 1576 O GLY A 100 -2.595 7.709 -1.871 1.00 0.00 O ATOM 0 H GLY A 100 -4.530 8.611 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.579 10.442 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.984 9.981 -0.021 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.438 9.751 -2.802 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.159 9.237 -4.137 1.00 0.00 C ATOM 1582 C ASP A 101 -0.795 8.555 -4.182 1.00 0.00 C ATOM 1583 O ASP A 101 0.181 9.127 -4.667 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.212 10.368 -5.167 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.387 11.569 -4.749 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.527 11.418 -3.857 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -1.602 12.662 -5.314 1.00 0.00 O ATOM 0 H ASP A 101 -2.467 10.769 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.923 8.499 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.851 9.999 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.248 10.675 -5.313 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.736 7.331 -3.667 1.00 0.00 N ATOM 1593 CA GLN A 102 0.508 6.572 -3.640 1.00 0.00 C ATOM 1594 C GLN A 102 0.740 5.833 -4.955 1.00 0.00 C ATOM 1595 O GLN A 102 1.729 5.120 -5.098 1.00 0.00 O ATOM 1596 CB GLN A 102 0.494 5.571 -2.484 1.00 0.00 C ATOM 1597 CG GLN A 102 0.306 6.213 -1.120 1.00 0.00 C ATOM 1598 CD GLN A 102 1.172 7.441 -0.923 1.00 0.00 C ATOM 1599 OE1 GLN A 102 0.676 8.587 -1.375 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 2.270 7.363 -0.374 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.536 6.844 -3.263 1.00 0.00 H new ATOM 0 HA GLN A 102 1.323 7.281 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.307 4.850 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.431 5.013 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.741 6.489 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.538 5.483 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.611 6.461 -0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.839 8.200 -0.251 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.169 6.003 -5.914 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.049 5.340 -7.213 1.00 0.00 C ATOM 1611 C ARG A 103 1.386 5.386 -7.739 1.00 0.00 C ATOM 1612 O ARG A 103 1.817 4.496 -8.471 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.997 5.984 -8.227 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.614 7.408 -8.605 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.412 7.560 -10.106 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.364 8.501 -10.692 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.353 9.810 -10.455 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.441 10.338 -9.648 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.257 10.594 -11.026 1.00 0.00 N ATOM 0 H ARG A 103 -0.995 6.593 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.323 4.294 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.020 5.372 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.007 5.986 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.392 8.094 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.302 7.688 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.604 7.902 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.520 6.588 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.079 8.133 -11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.256 9.739 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.438 11.342 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.960 10.193 -11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.249 11.598 -10.845 1.00 0.00 H new ATOM 1633 N LYS A 104 2.120 6.427 -7.358 1.00 0.00 N ATOM 1634 CA LYS A 104 3.504 6.586 -7.790 1.00 0.00 C ATOM 1635 C LYS A 104 4.478 6.224 -6.670 1.00 0.00 C ATOM 1636 O LYS A 104 5.635 5.892 -6.929 1.00 0.00 O ATOM 1637 CB LYS A 104 3.750 8.023 -8.251 1.00 0.00 C ATOM 1638 CG LYS A 104 4.557 8.123 -9.535 1.00 0.00 C ATOM 1639 CD LYS A 104 5.885 7.394 -9.420 1.00 0.00 C ATOM 1640 CE LYS A 104 6.798 8.056 -8.400 1.00 0.00 C ATOM 1641 NZ LYS A 104 7.322 9.361 -8.889 1.00 0.00 N ATOM 0 H LYS A 104 1.779 7.173 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 104 3.676 5.906 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.790 8.518 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.271 8.564 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.982 7.704 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.736 9.172 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.708 6.357 -9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.377 7.376 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.252 8.210 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.632 7.392 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.043 9.715 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.747 9.234 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.543 10.047 -8.951 1.00 0.00 H new ATOM 1655 N ASN A 105 4.009 6.297 -5.427 1.00 0.00 N ATOM 1656 CA ASN A 105 4.850 5.984 -4.276 1.00 0.00 C ATOM 1657 C ASN A 105 4.767 4.502 -3.910 1.00 0.00 C ATOM 1658 O ASN A 105 5.765 3.894 -3.525 1.00 0.00 O ATOM 1659 CB ASN A 105 4.444 6.838 -3.074 1.00 0.00 C ATOM 1660 CG ASN A 105 5.196 8.154 -3.019 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.416 8.179 -2.861 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.467 9.256 -3.147 1.00 0.00 N ATOM 0 H ASN A 105 3.055 6.569 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 105 5.881 6.210 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.373 7.036 -3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.627 6.279 -2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.916 10.171 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.458 9.188 -3.276 1.00 0.00 H new ATOM 1669 N ILE A 106 3.576 3.925 -4.028 1.00 0.00 N ATOM 1670 CA ILE A 106 3.385 2.518 -3.705 1.00 0.00 C ATOM 1671 C ILE A 106 4.201 1.635 -4.642 1.00 0.00 C ATOM 1672 O ILE A 106 4.953 0.770 -4.190 1.00 0.00 O ATOM 1673 CB ILE A 106 1.898 2.111 -3.753 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.706 0.722 -3.145 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.371 2.144 -5.178 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.306 0.571 -1.764 1.00 0.00 C ATOM 0 H ILE A 106 2.734 4.407 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 106 3.735 2.373 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 106 1.330 2.832 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.640 0.503 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.152 -0.019 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.321 1.853 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.471 3.152 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.943 1.450 -5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.129 -0.441 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.379 0.758 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.843 1.287 -1.086 1.00 0.00 H new ATOM 1688 N CYS A 107 4.084 1.875 -5.948 1.00 0.00 N ATOM 1689 CA CYS A 107 4.854 1.113 -6.925 1.00 0.00 C ATOM 1690 C CYS A 107 6.331 1.223 -6.579 1.00 0.00 C ATOM 1691 O CYS A 107 7.109 0.285 -6.761 1.00 0.00 O ATOM 1692 CB CYS A 107 4.601 1.641 -8.339 1.00 0.00 C ATOM 1693 SG CYS A 107 4.702 3.441 -8.484 1.00 0.00 S ATOM 0 H CYS A 107 3.470 2.584 -6.349 1.00 0.00 H new ATOM 0 HA CYS A 107 4.545 0.068 -6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.325 1.191 -9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.613 1.316 -8.665 1.00 0.00 H new ATOM 0 HG CYS A 107 3.510 3.930 -8.656 1.00 0.00 H new ATOM 1699 N GLN A 108 6.693 2.385 -6.043 1.00 0.00 N ATOM 1700 CA GLN A 108 8.061 2.655 -5.620 1.00 0.00 C ATOM 1701 C GLN A 108 8.400 1.804 -4.405 1.00 0.00 C ATOM 1702 O GLN A 108 9.445 1.156 -4.350 1.00 0.00 O ATOM 1703 CB GLN A 108 8.220 4.134 -5.265 1.00 0.00 C ATOM 1704 CG GLN A 108 8.733 4.992 -6.406 1.00 0.00 C ATOM 1705 CD GLN A 108 10.135 4.613 -6.844 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.018 4.380 -5.879 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.421 4.528 -8.038 1.00 0.00 N flip ATOM 0 H GLN A 108 6.049 3.161 -5.891 1.00 0.00 H new ATOM 0 HA GLN A 108 8.738 2.409 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.257 4.523 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.904 4.223 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.055 4.902 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.723 6.038 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.712 4.715 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.367 4.270 -8.319 1.00 0.00 H new ATOM 1716 N PHE A 109 7.495 1.819 -3.433 1.00 0.00 N ATOM 1717 CA PHE A 109 7.662 1.060 -2.202 1.00 0.00 C ATOM 1718 C PHE A 109 7.785 -0.429 -2.496 1.00 0.00 C ATOM 1719 O PHE A 109 8.707 -1.092 -2.023 1.00 0.00 O ATOM 1720 CB PHE A 109 6.472 1.312 -1.279 1.00 0.00 C ATOM 1721 CG PHE A 109 6.583 0.628 0.051 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.517 1.045 0.984 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.745 -0.428 0.371 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.615 0.423 2.211 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.838 -1.054 1.597 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.774 -0.627 2.518 1.00 0.00 C ATOM 0 H PHE A 109 6.629 2.356 -3.477 1.00 0.00 H new ATOM 0 HA PHE A 109 8.579 1.389 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.370 2.385 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.562 0.976 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.177 1.867 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.011 -0.765 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.348 0.757 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.180 -1.876 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.848 -1.115 3.479 1.00 0.00 H new ATOM 1736 N LEU A 110 6.847 -0.946 -3.283 1.00 0.00 N ATOM 1737 CA LEU A 110 6.843 -2.358 -3.647 1.00 0.00 C ATOM 1738 C LEU A 110 8.181 -2.766 -4.253 1.00 0.00 C ATOM 1739 O LEU A 110 8.611 -3.912 -4.125 1.00 0.00 O ATOM 1740 CB LEU A 110 5.712 -2.642 -4.638 1.00 0.00 C ATOM 1741 CG LEU A 110 4.357 -2.971 -4.006 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.020 -1.975 -2.907 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.267 -2.983 -5.068 1.00 0.00 C ATOM 0 H LEU A 110 6.078 -0.407 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 110 6.682 -2.944 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.591 -1.773 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.009 -3.475 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 110 4.418 -3.963 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.053 -2.227 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.787 -2.013 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.978 -0.970 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.309 -3.218 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.210 -2.003 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.500 -3.736 -5.820 1.00 0.00 H new ATOM 1755 N VAL A 111 8.833 -1.817 -4.913 1.00 0.00 N ATOM 1756 CA VAL A 111 10.121 -2.069 -5.541 1.00 0.00 C ATOM 1757 C VAL A 111 11.272 -1.706 -4.604 1.00 0.00 C ATOM 1758 O VAL A 111 12.361 -2.271 -4.697 1.00 0.00 O ATOM 1759 CB VAL A 111 10.262 -1.272 -6.854 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.621 -1.517 -7.496 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.136 -1.626 -7.815 1.00 0.00 C ATOM 0 H VAL A 111 8.489 -0.864 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 111 10.168 -3.135 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 111 10.191 -0.210 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.695 -0.944 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.409 -1.204 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.733 -2.578 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.251 -1.055 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.173 -2.692 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.177 -1.386 -7.356 1.00 0.00 H new ATOM 1771 N GLU A 112 11.023 -0.758 -3.707 1.00 0.00 N ATOM 1772 CA GLU A 112 12.039 -0.317 -2.758 1.00 0.00 C ATOM 1773 C GLU A 112 12.254 -1.356 -1.662 1.00 0.00 C ATOM 1774 O GLU A 112 13.388 -1.622 -1.261 1.00 0.00 O ATOM 1775 CB GLU A 112 11.636 1.022 -2.136 1.00 0.00 C ATOM 1776 CG GLU A 112 11.743 2.195 -3.096 1.00 0.00 C ATOM 1777 CD GLU A 112 13.020 2.991 -2.906 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.464 3.132 -1.748 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.574 3.473 -3.916 1.00 0.00 O ATOM 0 H GLU A 112 10.126 -0.280 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 112 12.976 -0.193 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.610 0.951 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.267 1.215 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.699 1.826 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.885 2.853 -2.957 1.00 0.00 H new ATOM 1786 N ILE A 113 11.162 -1.938 -1.177 1.00 0.00 N ATOM 1787 CA ILE A 113 11.237 -2.945 -0.125 1.00 0.00 C ATOM 1788 C ILE A 113 11.401 -4.347 -0.706 1.00 0.00 C ATOM 1789 O ILE A 113 11.940 -5.240 -0.053 1.00 0.00 O ATOM 1790 CB ILE A 113 9.981 -2.911 0.775 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.771 -3.500 0.040 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.694 -1.486 1.222 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.484 -3.434 0.834 1.00 0.00 C ATOM 0 H ILE A 113 10.216 -1.730 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 113 12.114 -2.706 0.477 1.00 0.00 H new ATOM 0 HB ILE A 113 10.171 -3.521 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.634 -2.967 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.980 -4.540 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.807 -1.475 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.546 -1.102 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.523 -0.858 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.673 -3.869 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.601 -3.991 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.250 -2.394 1.062 1.00 0.00 H new ATOM 1805 N GLY A 114 10.925 -4.534 -1.931 1.00 0.00 N ATOM 1806 CA GLY A 114 11.018 -5.831 -2.573 1.00 0.00 C ATOM 1807 C GLY A 114 9.721 -6.606 -2.468 1.00 0.00 C ATOM 1808 O GLY A 114 9.724 -7.836 -2.413 1.00 0.00 O ATOM 0 H GLY A 114 10.476 -3.810 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.278 -5.699 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.823 -6.406 -2.115 1.00 0.00 H new ATOM 1812 N LEU A 115 8.608 -5.879 -2.438 1.00 0.00 N ATOM 1813 CA LEU A 115 7.291 -6.493 -2.335 1.00 0.00 C ATOM 1814 C LEU A 115 6.827 -7.001 -3.696 1.00 0.00 C ATOM 1815 O LEU A 115 6.768 -8.208 -3.931 1.00 0.00 O ATOM 1816 CB LEU A 115 6.284 -5.483 -1.770 1.00 0.00 C ATOM 1817 CG LEU A 115 5.363 -6.013 -0.667 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.150 -6.802 0.371 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.612 -4.868 -0.006 1.00 0.00 C ATOM 0 H LEU A 115 8.594 -4.860 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 115 7.356 -7.344 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.835 -4.628 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.666 -5.116 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 115 4.639 -6.687 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.471 -7.166 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.640 -7.648 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.902 -6.157 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.962 -5.262 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.325 -4.170 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.009 -4.350 -0.752 1.00 0.00 H new ATOM 1831 N ALA A 116 6.509 -6.074 -4.591 1.00 0.00 N ATOM 1832 CA ALA A 116 6.064 -6.430 -5.932 1.00 0.00 C ATOM 1833 C ALA A 116 7.251 -6.504 -6.887 1.00 0.00 C ATOM 1834 O ALA A 116 8.404 -6.499 -6.456 1.00 0.00 O ATOM 1835 CB ALA A 116 5.041 -5.422 -6.437 1.00 0.00 C ATOM 0 H ALA A 116 6.551 -5.071 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 116 5.593 -7.412 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.719 -5.702 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.180 -5.412 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.491 -4.430 -6.464 1.00 0.00 H new ATOM 1841 N LYS A 117 6.967 -6.567 -8.184 1.00 0.00 N ATOM 1842 CA LYS A 117 8.022 -6.632 -9.190 1.00 0.00 C ATOM 1843 C LYS A 117 7.796 -5.585 -10.273 1.00 0.00 C ATOM 1844 O LYS A 117 6.667 -5.146 -10.498 1.00 0.00 O ATOM 1845 CB LYS A 117 8.082 -8.026 -9.815 1.00 0.00 C ATOM 1846 CG LYS A 117 9.477 -8.630 -9.823 1.00 0.00 C ATOM 1847 CD LYS A 117 9.817 -9.270 -8.486 1.00 0.00 C ATOM 1848 CE LYS A 117 10.724 -8.379 -7.653 1.00 0.00 C ATOM 1849 NZ LYS A 117 10.419 -8.480 -6.198 1.00 0.00 N ATOM 0 H LYS A 117 6.020 -6.574 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 117 8.973 -6.426 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.411 -8.689 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.713 -7.972 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.546 -9.378 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.208 -7.855 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.899 -9.472 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.305 -10.230 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.764 -8.657 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.612 -7.344 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.270 -8.245 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.656 -7.816 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.118 -9.450 -5.973 1.00 0.00 H new ATOM 1863 N ASP A 118 8.870 -5.190 -10.944 1.00 0.00 N ATOM 1864 CA ASP A 118 8.773 -4.197 -12.004 1.00 0.00 C ATOM 1865 C ASP A 118 7.896 -4.715 -13.137 1.00 0.00 C ATOM 1866 O ASP A 118 7.249 -3.941 -13.842 1.00 0.00 O ATOM 1867 CB ASP A 118 10.160 -3.826 -12.531 1.00 0.00 C ATOM 1868 CG ASP A 118 10.837 -4.974 -13.256 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.393 -5.315 -14.372 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.810 -5.531 -12.707 1.00 0.00 O ATOM 0 H ASP A 118 9.813 -5.540 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 118 8.315 -3.299 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.072 -2.976 -13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.787 -3.507 -11.699 1.00 0.00 H new ATOM 1875 N ASP A 119 7.867 -6.035 -13.293 1.00 0.00 N ATOM 1876 CA ASP A 119 7.054 -6.664 -14.325 1.00 0.00 C ATOM 1877 C ASP A 119 5.599 -6.738 -13.874 1.00 0.00 C ATOM 1878 O ASP A 119 4.687 -6.845 -14.692 1.00 0.00 O ATOM 1879 CB ASP A 119 7.581 -8.066 -14.636 1.00 0.00 C ATOM 1880 CG ASP A 119 6.805 -8.741 -15.751 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.161 -8.024 -16.544 1.00 0.00 O ATOM 1882 OD2 ASP A 119 6.843 -9.987 -15.831 1.00 0.00 O ATOM 0 H ASP A 119 8.398 -6.689 -12.717 1.00 0.00 H new ATOM 0 HA ASP A 119 7.112 -6.061 -15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.633 -8.002 -14.916 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.527 -8.679 -13.737 1.00 0.00 H new ATOM 1887 N GLN A 120 5.394 -6.673 -12.560 1.00 0.00 N ATOM 1888 CA GLN A 120 4.057 -6.724 -11.988 1.00 0.00 C ATOM 1889 C GLN A 120 3.538 -5.320 -11.677 1.00 0.00 C ATOM 1890 O GLN A 120 2.410 -5.154 -11.217 1.00 0.00 O ATOM 1891 CB GLN A 120 4.063 -7.568 -10.713 1.00 0.00 C ATOM 1892 CG GLN A 120 4.797 -8.891 -10.864 1.00 0.00 C ATOM 1893 CD GLN A 120 4.468 -9.872 -9.756 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.334 -9.366 -8.535 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.336 -11.072 -9.994 1.00 0.00 N flip ATOM 0 H GLN A 120 6.142 -6.585 -11.872 1.00 0.00 H new ATOM 0 HA GLN A 120 3.393 -7.181 -12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.526 -6.995 -9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.034 -7.765 -10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.541 -9.336 -11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.871 -8.707 -10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.448 -11.418 -10.947 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.115 -11.721 -9.238 1.00 0.00 H new ATOM 1904 N LEU A 121 4.368 -4.311 -11.930 1.00 0.00 N ATOM 1905 CA LEU A 121 3.988 -2.926 -11.674 1.00 0.00 C ATOM 1906 C LEU A 121 2.746 -2.546 -12.471 1.00 0.00 C ATOM 1907 O LEU A 121 2.845 -2.033 -13.585 1.00 0.00 O ATOM 1908 CB LEU A 121 5.142 -1.984 -12.023 1.00 0.00 C ATOM 1909 CG LEU A 121 6.205 -1.831 -10.934 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.395 -1.038 -11.456 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.612 -1.159 -9.702 1.00 0.00 C ATOM 0 H LEU A 121 5.307 -4.427 -12.312 1.00 0.00 H new ATOM 0 HA LEU A 121 3.759 -2.829 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.624 -2.345 -12.931 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.732 -1.000 -12.250 1.00 0.00 H new ATOM 0 HG LEU A 121 6.554 -2.824 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.141 -0.939 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.834 -1.558 -12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.064 -0.047 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.382 -1.058 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.236 -0.172 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.793 -1.766 -9.315 1.00 0.00 H new ATOM 1923 N LYS A 122 1.578 -2.802 -11.892 1.00 0.00 N ATOM 1924 CA LYS A 122 0.316 -2.484 -12.548 1.00 0.00 C ATOM 1925 C LYS A 122 -0.315 -1.238 -11.932 1.00 0.00 C ATOM 1926 O LYS A 122 -1.297 -1.326 -11.194 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.649 -3.667 -12.448 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.635 -4.566 -13.674 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.250 -3.876 -14.880 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.491 -4.204 -16.156 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.807 -3.246 -17.252 1.00 0.00 N ATOM 0 H LYS A 122 1.479 -3.228 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 122 0.520 -2.284 -13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.395 -4.260 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.660 -3.289 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.391 -4.854 -13.903 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.184 -5.483 -13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.291 -4.183 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.250 -2.797 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.580 -4.186 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.739 -5.216 -16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.270 -3.504 -18.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.825 -3.281 -17.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.547 -2.283 -16.957 1.00 0.00 H new ATOM 1945 N VAL A 123 0.257 -0.078 -12.240 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.246 1.186 -11.716 1.00 0.00 C ATOM 1947 C VAL A 123 -1.485 1.648 -12.477 1.00 0.00 C ATOM 1948 O VAL A 123 -1.446 1.829 -13.694 1.00 0.00 O ATOM 1949 CB VAL A 123 0.828 2.290 -11.782 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.218 2.580 -13.224 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.339 3.555 -11.091 1.00 0.00 C ATOM 0 H VAL A 123 1.069 0.012 -12.850 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.512 1.010 -10.674 1.00 0.00 H new ATOM 0 HB VAL A 123 1.715 1.934 -11.257 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.977 3.362 -13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.617 1.675 -13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.340 2.911 -13.779 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.111 4.322 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.565 3.912 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.121 3.337 -10.046 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.583 1.836 -11.751 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.833 2.277 -12.359 1.00 0.00 C ATOM 1963 C HIS A 124 -4.378 3.519 -11.660 1.00 0.00 C ATOM 1964 O HIS A 124 -5.458 3.489 -11.069 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.871 1.155 -12.308 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.434 -0.091 -13.012 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.619 -0.297 -14.363 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.813 -1.201 -12.547 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.131 -1.478 -14.699 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.636 -2.046 -13.614 1.00 0.00 N ATOM 0 H HIS A 124 -2.632 1.690 -10.743 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.628 2.531 -13.399 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.088 0.918 -11.266 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.800 1.509 -12.755 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.064 0.360 -15.004 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.513 -1.387 -11.526 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.136 -1.906 -15.691 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.628 4.615 -11.736 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.060 5.852 -11.108 1.00 0.00 C ATOM 1981 C GLY A 125 -5.444 6.274 -11.563 1.00 0.00 C ATOM 1982 O GLY A 125 -5.674 6.493 -12.753 1.00 0.00 O ATOM 0 H GLY A 125 -2.732 4.669 -12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.058 5.727 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.347 6.643 -11.339 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.371 6.383 -10.616 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.744 6.775 -10.926 1.00 0.00 C ATOM 1988 C PHE A 126 -7.777 8.022 -11.811 1.00 0.00 C ATOM 1989 O PHE A 126 -6.764 8.750 -11.843 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.534 7.012 -9.632 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.459 8.421 -9.109 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.249 9.097 -9.067 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.599 9.068 -8.660 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.180 10.391 -8.588 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.536 10.361 -8.179 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.325 11.025 -8.143 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.816 8.255 -12.465 1.00 0.00 O ATOM 0 H PHE A 126 -6.197 6.205 -9.627 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.212 5.961 -11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.579 6.757 -9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.164 6.332 -8.865 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.351 8.607 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.549 8.555 -8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.232 10.907 -8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.433 10.853 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.273 12.037 -7.768 1.00 0.00 H new