USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 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 150:sc= -0.562 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.69 F(o=-5.9!,f=-3.3) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.383 K(o=0.96,f=-0.31) USER MOD Set 2.2: A 56 THR OG1 : rot 171:sc= 0.581 USER MOD Set 3.1: A 49 GLN : amide:sc= 0.222 K(o=-4.3,f=-5) USER MOD Set 3.2: A 59 THR OG1 : rot -108:sc= 0.774 USER MOD Set 3.3: A 97 GLN : amide:sc= -5.32! C(o=-4.3!,f=-5.2!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -5.78! C(o=-12!,f=-14!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -6.49! C(o=-12!,f=-15!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.116) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 61 GLN : amide:sc= -7.69! C(o=-7.7!,f=-7.9!) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.431 USER MOD Single : A 69 LYS NZ :NH3+ -123:sc= 0.185 (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+ 173:sc= 1.2 (180deg=1.07) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0.0633 (180deg=-0.123) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.868 F(o=-4!,f=-0.87) USER MOD Single : A 85 THR OG1 : rot -67:sc= 0.219 USER MOD Single : A 89 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-5.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.119 K(o=0.12,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot -2:sc= -0.417 USER MOD Single : A 108 GLN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.43 F(o=-5.6,f=-2.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.782 -12.204 -14.018 1.00 0.00 N ATOM 607 CA ASP A 42 0.349 -11.940 -12.651 1.00 0.00 C ATOM 608 C ASP A 42 1.011 -10.677 -12.110 1.00 0.00 C ATOM 609 O ASP A 42 1.993 -10.746 -11.370 1.00 0.00 O ATOM 610 CB ASP A 42 0.679 -13.129 -11.748 1.00 0.00 C ATOM 611 CG ASP A 42 -0.149 -13.138 -10.478 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.228 -12.511 -10.469 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.282 -13.775 -9.494 1.00 0.00 O ATOM 0 HA ASP A 42 -0.731 -11.791 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.509 -14.056 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.737 -13.102 -11.488 1.00 0.00 H new ATOM 618 N TYR A 43 0.468 -9.526 -12.486 1.00 0.00 N ATOM 619 CA TYR A 43 1.004 -8.243 -12.046 1.00 0.00 C ATOM 620 C TYR A 43 0.319 -7.777 -10.765 1.00 0.00 C ATOM 621 O TYR A 43 -0.609 -8.421 -10.275 1.00 0.00 O ATOM 622 CB TYR A 43 0.825 -7.192 -13.142 1.00 0.00 C ATOM 623 CG TYR A 43 1.272 -7.654 -14.511 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.440 -8.391 -14.675 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.528 -7.347 -15.644 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.850 -8.809 -15.926 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.931 -7.762 -16.899 1.00 0.00 C ATOM 628 CZ TYR A 43 2.094 -8.492 -17.035 1.00 0.00 C ATOM 629 OH TYR A 43 2.499 -8.906 -18.283 1.00 0.00 O ATOM 0 H TYR A 43 -0.346 -9.454 -13.097 1.00 0.00 H new ATOM 0 HA TYR A 43 2.067 -8.372 -11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.226 -6.907 -13.190 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.386 -6.298 -12.870 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.036 -8.641 -13.810 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.382 -6.774 -15.542 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.759 -9.382 -16.035 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.339 -7.516 -17.768 1.00 0.00 H new ATOM 0 HH TYR A 43 1.854 -8.600 -18.954 1.00 0.00 H new ATOM 639 N ILE A 44 0.779 -6.651 -10.234 1.00 0.00 N ATOM 640 CA ILE A 44 0.207 -6.091 -9.016 1.00 0.00 C ATOM 641 C ILE A 44 -0.525 -4.787 -9.320 1.00 0.00 C ATOM 642 O ILE A 44 0.090 -3.725 -9.430 1.00 0.00 O ATOM 643 CB ILE A 44 1.286 -5.847 -7.939 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.947 -7.167 -7.534 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.684 -5.164 -6.718 1.00 0.00 C ATOM 646 CD1 ILE A 44 0.960 -8.267 -7.206 1.00 0.00 C ATOM 0 H ILE A 44 1.547 -6.107 -10.628 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.503 -6.820 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 44 2.046 -5.191 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.595 -7.502 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.585 -6.993 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.462 -5.002 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.257 -4.205 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.098 -5.796 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.502 -9.171 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.328 -7.953 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.339 -8.470 -8.078 1.00 0.00 H new ATOM 658 N HIS A 45 -1.839 -4.886 -9.468 1.00 0.00 N ATOM 659 CA HIS A 45 -2.673 -3.732 -9.777 1.00 0.00 C ATOM 660 C HIS A 45 -2.761 -2.762 -8.603 1.00 0.00 C ATOM 661 O HIS A 45 -3.056 -3.155 -7.477 1.00 0.00 O ATOM 662 CB HIS A 45 -4.078 -4.200 -10.164 1.00 0.00 C ATOM 663 CG HIS A 45 -4.480 -3.830 -11.558 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.076 -4.537 -12.671 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.267 -2.828 -12.016 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.598 -3.985 -13.753 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.325 -2.947 -13.382 1.00 0.00 N ATOM 0 H HIS A 45 -2.354 -5.762 -9.378 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.212 -3.203 -10.611 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.131 -5.283 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.797 -3.775 -9.464 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.470 -5.357 -12.661 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.758 -2.075 -11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.454 -4.325 -14.768 1.00 0.00 H new ATOM 676 N ILE A 46 -2.518 -1.488 -8.883 1.00 0.00 N ATOM 677 CA ILE A 46 -2.590 -0.446 -7.859 1.00 0.00 C ATOM 678 C ILE A 46 -4.020 0.114 -7.770 1.00 0.00 C ATOM 679 O ILE A 46 -4.875 -0.491 -7.123 1.00 0.00 O ATOM 680 CB ILE A 46 -1.582 0.690 -8.138 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.159 0.124 -8.208 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.685 1.776 -7.076 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.419 -0.269 -6.862 1.00 0.00 C ATOM 0 H ILE A 46 -2.269 -1.148 -9.812 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.325 -0.896 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.822 1.142 -9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.159 -0.749 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.493 0.866 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.966 2.566 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.693 2.192 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.470 1.349 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.427 -0.660 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.454 0.605 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.208 -1.035 -6.406 1.00 0.00 H new ATOM 695 N ARG A 47 -4.287 1.255 -8.430 1.00 0.00 N ATOM 696 CA ARG A 47 -5.620 1.864 -8.436 1.00 0.00 C ATOM 697 C ARG A 47 -5.823 2.802 -7.251 1.00 0.00 C ATOM 698 O ARG A 47 -5.670 2.409 -6.094 1.00 0.00 O ATOM 699 CB ARG A 47 -6.717 0.792 -8.445 1.00 0.00 C ATOM 700 CG ARG A 47 -8.004 1.243 -9.118 1.00 0.00 C ATOM 701 CD ARG A 47 -8.240 0.508 -10.428 1.00 0.00 C ATOM 702 NE ARG A 47 -9.275 -0.515 -10.304 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.562 -0.248 -10.097 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.976 1.009 -9.987 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.438 -1.238 -9.999 1.00 0.00 N ATOM 0 H ARG A 47 -3.591 1.772 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.692 2.453 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.342 -0.095 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.937 0.500 -7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.846 1.070 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.960 2.316 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.528 1.224 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.310 0.044 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.994 -1.493 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.306 1.775 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.964 1.209 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.126 -2.205 -10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.424 -1.032 -9.840 1.00 0.00 H new ATOM 719 N ILE A 48 -6.185 4.044 -7.559 1.00 0.00 N ATOM 720 CA ILE A 48 -6.432 5.054 -6.537 1.00 0.00 C ATOM 721 C ILE A 48 -7.935 5.266 -6.349 1.00 0.00 C ATOM 722 O ILE A 48 -8.722 5.025 -7.265 1.00 0.00 O ATOM 723 CB ILE A 48 -5.748 6.398 -6.908 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.468 6.585 -6.093 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.686 7.582 -6.697 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.626 7.751 -6.563 1.00 0.00 C ATOM 0 H ILE A 48 -6.314 4.376 -8.515 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.004 4.697 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.494 6.359 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.731 6.734 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.875 5.672 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.173 8.505 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.570 7.462 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.986 7.626 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.733 7.828 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.334 7.594 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.203 8.672 -6.484 1.00 0.00 H new ATOM 738 N GLN A 49 -8.326 5.725 -5.163 1.00 0.00 N ATOM 739 CA GLN A 49 -9.734 5.973 -4.870 1.00 0.00 C ATOM 740 C GLN A 49 -9.908 7.255 -4.061 1.00 0.00 C ATOM 741 O GLN A 49 -9.644 7.285 -2.859 1.00 0.00 O ATOM 742 CB GLN A 49 -10.342 4.788 -4.119 1.00 0.00 C ATOM 743 CG GLN A 49 -9.737 4.560 -2.745 1.00 0.00 C ATOM 744 CD GLN A 49 -9.758 3.100 -2.334 1.00 0.00 C ATOM 745 OE1 GLN A 49 -9.130 2.254 -2.971 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.482 2.799 -1.262 1.00 0.00 N ATOM 0 H GLN A 49 -7.690 5.932 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.258 6.094 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.415 4.949 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.213 3.886 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.708 4.920 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.284 5.149 -2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.986 3.533 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.534 1.834 -0.936 1.00 0.00 H new ATOM 755 N GLN A 50 -10.359 8.310 -4.732 1.00 0.00 N ATOM 756 CA GLN A 50 -10.575 9.600 -4.084 1.00 0.00 C ATOM 757 C GLN A 50 -12.067 9.858 -3.885 1.00 0.00 C ATOM 758 O GLN A 50 -12.833 9.901 -4.848 1.00 0.00 O ATOM 759 CB GLN A 50 -9.950 10.720 -4.919 1.00 0.00 C ATOM 760 CG GLN A 50 -9.044 11.646 -4.125 1.00 0.00 C ATOM 761 CD GLN A 50 -8.293 12.623 -5.007 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.867 13.229 -5.912 1.00 0.00 O ATOM 763 NE2 GLN A 50 -7.000 12.779 -4.748 1.00 0.00 N ATOM 0 H GLN A 50 -10.583 8.297 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.096 9.581 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.377 10.277 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.747 11.309 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.642 12.201 -3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.329 11.050 -3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.565 12.256 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.441 13.422 -5.309 1.00 0.00 H new ATOM 772 N ARG A 51 -12.474 10.020 -2.630 1.00 0.00 N ATOM 773 CA ARG A 51 -13.877 10.263 -2.306 1.00 0.00 C ATOM 774 C ARG A 51 -14.253 11.727 -2.522 1.00 0.00 C ATOM 775 O ARG A 51 -15.032 12.050 -3.418 1.00 0.00 O ATOM 776 CB ARG A 51 -14.162 9.862 -0.857 1.00 0.00 C ATOM 777 CG ARG A 51 -14.690 8.443 -0.714 1.00 0.00 C ATOM 778 CD ARG A 51 -14.209 7.795 0.576 1.00 0.00 C ATOM 779 NE ARG A 51 -15.322 7.356 1.415 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.131 6.347 1.102 1.00 0.00 C ATOM 781 NH1 ARG A 51 -15.958 5.673 -0.027 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.119 6.012 1.922 1.00 0.00 N ATOM 0 H ARG A 51 -11.854 9.988 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.484 9.654 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.246 9.961 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.887 10.556 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.780 8.456 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.365 7.845 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.575 6.941 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.594 8.504 1.131 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.488 7.852 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.201 5.927 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.582 4.901 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.258 6.528 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.740 5.239 1.683 1.00 0.00 H new ATOM 796 N ASN A 52 -13.699 12.607 -1.694 1.00 0.00 N ATOM 797 CA ASN A 52 -13.984 14.036 -1.794 1.00 0.00 C ATOM 798 C ASN A 52 -12.960 14.743 -2.677 1.00 0.00 C ATOM 799 O ASN A 52 -12.543 15.864 -2.385 1.00 0.00 O ATOM 800 CB ASN A 52 -13.999 14.671 -0.403 1.00 0.00 C ATOM 801 CG ASN A 52 -14.823 13.874 0.589 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.035 14.056 0.695 1.00 0.00 O ATOM 803 ND2 ASN A 52 -14.165 12.986 1.325 1.00 0.00 N ATOM 0 H ASN A 52 -13.051 12.357 -0.947 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.966 14.150 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.977 14.757 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.399 15.683 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.665 12.422 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.159 12.868 1.204 1.00 0.00 H new ATOM 810 N GLY A 53 -12.555 14.082 -3.757 1.00 0.00 N ATOM 811 CA GLY A 53 -11.582 14.663 -4.662 1.00 0.00 C ATOM 812 C GLY A 53 -10.297 15.044 -3.959 1.00 0.00 C ATOM 813 O GLY A 53 -9.548 15.895 -4.436 1.00 0.00 O ATOM 0 H GLY A 53 -12.884 13.153 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.361 13.952 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.011 15.547 -5.134 1.00 0.00 H new ATOM 817 N ARG A 54 -10.043 14.413 -2.817 1.00 0.00 N ATOM 818 CA ARG A 54 -8.841 14.692 -2.046 1.00 0.00 C ATOM 819 C ARG A 54 -8.478 13.509 -1.152 1.00 0.00 C ATOM 820 O ARG A 54 -7.321 13.097 -1.093 1.00 0.00 O ATOM 821 CB ARG A 54 -9.038 15.962 -1.210 1.00 0.00 C ATOM 822 CG ARG A 54 -9.783 15.737 0.098 1.00 0.00 C ATOM 823 CD ARG A 54 -10.042 17.047 0.828 1.00 0.00 C ATOM 824 NE ARG A 54 -8.893 17.950 0.764 1.00 0.00 N ATOM 825 CZ ARG A 54 -7.752 17.746 1.417 1.00 0.00 C ATOM 826 NH1 ARG A 54 -7.601 16.676 2.188 1.00 0.00 N ATOM 827 NH2 ARG A 54 -6.757 18.616 1.298 1.00 0.00 N ATOM 0 H ARG A 54 -10.654 13.706 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.015 14.851 -2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.062 16.394 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.584 16.694 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.731 15.239 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.203 15.072 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.913 17.538 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.281 16.839 1.871 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.971 18.786 0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.362 16.004 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.723 16.526 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.868 19.440 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.882 18.461 1.798 1.00 0.00 H new ATOM 841 N LYS A 55 -9.477 12.964 -0.464 1.00 0.00 N ATOM 842 CA LYS A 55 -9.261 11.822 0.418 1.00 0.00 C ATOM 843 C LYS A 55 -8.968 10.569 -0.399 1.00 0.00 C ATOM 844 O LYS A 55 -9.757 9.624 -0.418 1.00 0.00 O ATOM 845 CB LYS A 55 -10.485 11.597 1.309 1.00 0.00 C ATOM 846 CG LYS A 55 -10.141 11.073 2.693 1.00 0.00 C ATOM 847 CD LYS A 55 -9.574 12.170 3.579 1.00 0.00 C ATOM 848 CE LYS A 55 -8.536 11.624 4.547 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.052 10.459 5.318 1.00 0.00 N ATOM 0 H LYS A 55 -10.442 13.294 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.401 12.034 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.028 12.537 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.156 10.892 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.034 10.654 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.417 10.263 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.122 12.944 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.382 12.641 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.645 11.327 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.235 12.411 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.410 10.255 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.999 10.679 5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.108 9.628 4.695 1.00 0.00 H new ATOM 863 N THR A 56 -7.827 10.575 -1.080 1.00 0.00 N ATOM 864 CA THR A 56 -7.421 9.451 -1.910 1.00 0.00 C ATOM 865 C THR A 56 -7.004 8.259 -1.054 1.00 0.00 C ATOM 866 O THR A 56 -6.650 8.414 0.115 1.00 0.00 O ATOM 867 CB THR A 56 -6.270 9.873 -2.825 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.122 11.282 -2.832 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.448 9.427 -4.259 1.00 0.00 C ATOM 0 H THR A 56 -7.165 11.351 -1.072 1.00 0.00 H new ATOM 0 HA THR A 56 -8.273 9.146 -2.518 1.00 0.00 H new ATOM 0 HB THR A 56 -5.386 9.384 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.297 11.522 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.596 9.760 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.514 8.340 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.363 9.860 -4.664 1.00 0.00 H new ATOM 877 N LEU A 57 -7.050 7.069 -1.644 1.00 0.00 N ATOM 878 CA LEU A 57 -6.680 5.849 -0.937 1.00 0.00 C ATOM 879 C LEU A 57 -6.100 4.817 -1.904 1.00 0.00 C ATOM 880 O LEU A 57 -6.794 3.897 -2.336 1.00 0.00 O ATOM 881 CB LEU A 57 -7.902 5.264 -0.224 1.00 0.00 C ATOM 882 CG LEU A 57 -8.030 5.635 1.255 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.486 5.581 1.693 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.177 4.710 2.113 1.00 0.00 C ATOM 0 H LEU A 57 -7.340 6.924 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.918 6.099 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.800 5.595 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.867 4.178 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.669 6.655 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.559 5.848 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.071 6.284 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.873 4.573 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.280 4.989 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.507 3.680 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.132 4.798 1.815 1.00 0.00 H new ATOM 896 N THR A 58 -4.824 4.977 -2.242 1.00 0.00 N ATOM 897 CA THR A 58 -4.153 4.062 -3.162 1.00 0.00 C ATOM 898 C THR A 58 -4.181 2.629 -2.641 1.00 0.00 C ATOM 899 O THR A 58 -3.672 2.343 -1.560 1.00 0.00 O ATOM 900 CB THR A 58 -2.707 4.508 -3.388 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.662 5.838 -3.875 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.958 3.634 -4.371 1.00 0.00 C ATOM 0 H THR A 58 -4.233 5.732 -1.893 1.00 0.00 H new ATOM 0 HA THR A 58 -4.691 4.087 -4.110 1.00 0.00 H new ATOM 0 HB THR A 58 -2.225 4.428 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.877 6.460 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.940 4.005 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.931 2.609 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.463 3.657 -5.337 1.00 0.00 H new ATOM 910 N THR A 59 -4.775 1.728 -3.419 1.00 0.00 N ATOM 911 CA THR A 59 -4.859 0.324 -3.029 1.00 0.00 C ATOM 912 C THR A 59 -3.873 -0.521 -3.830 1.00 0.00 C ATOM 913 O THR A 59 -3.386 -0.100 -4.880 1.00 0.00 O ATOM 914 CB THR A 59 -6.279 -0.211 -3.224 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.022 0.632 -4.087 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.051 -0.342 -1.929 1.00 0.00 C ATOM 0 H THR A 59 -5.203 1.944 -4.319 1.00 0.00 H new ATOM 0 HA THR A 59 -4.601 0.257 -1.972 1.00 0.00 H new ATOM 0 HB THR A 59 -6.156 -1.204 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.688 1.128 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.049 -0.726 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.530 -1.029 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.131 0.635 -1.452 1.00 0.00 H new ATOM 924 N VAL A 60 -3.587 -1.716 -3.327 1.00 0.00 N ATOM 925 CA VAL A 60 -2.662 -2.624 -3.993 1.00 0.00 C ATOM 926 C VAL A 60 -3.260 -4.019 -4.119 1.00 0.00 C ATOM 927 O VAL A 60 -3.420 -4.728 -3.125 1.00 0.00 O ATOM 928 CB VAL A 60 -1.324 -2.720 -3.237 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.319 -3.548 -4.025 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.777 -1.331 -2.956 1.00 0.00 C ATOM 0 H VAL A 60 -3.983 -2.079 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.480 -2.216 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.499 -3.220 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.619 -3.603 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.713 -4.554 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.143 -3.081 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.169 -1.414 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.617 -0.806 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.490 -0.775 -2.347 1.00 0.00 H new ATOM 940 N GLN A 61 -3.583 -4.412 -5.346 1.00 0.00 N ATOM 941 CA GLN A 61 -4.157 -5.728 -5.599 1.00 0.00 C ATOM 942 C GLN A 61 -3.106 -6.665 -6.181 1.00 0.00 C ATOM 943 O GLN A 61 -2.287 -6.261 -7.005 1.00 0.00 O ATOM 944 CB GLN A 61 -5.360 -5.641 -6.547 1.00 0.00 C ATOM 945 CG GLN A 61 -5.809 -4.223 -6.862 1.00 0.00 C ATOM 946 CD GLN A 61 -7.185 -4.169 -7.501 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.935 -3.214 -7.302 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.522 -5.193 -8.277 1.00 0.00 N ATOM 0 H GLN A 61 -3.457 -3.839 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.503 -6.126 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.109 -6.146 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.195 -6.184 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.817 -3.637 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.085 -3.758 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.869 -5.965 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.433 -5.208 -8.735 1.00 0.00 H new ATOM 957 N GLY A 62 -3.135 -7.915 -5.742 1.00 0.00 N ATOM 958 CA GLY A 62 -2.177 -8.892 -6.221 1.00 0.00 C ATOM 959 C GLY A 62 -1.229 -9.343 -5.128 1.00 0.00 C ATOM 960 O GLY A 62 -0.697 -10.453 -5.173 1.00 0.00 O ATOM 0 H GLY A 62 -3.806 -8.271 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.709 -9.756 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.604 -8.464 -7.044 1.00 0.00 H new ATOM 964 N ILE A 63 -1.019 -8.476 -4.142 1.00 0.00 N ATOM 965 CA ILE A 63 -0.132 -8.778 -3.027 1.00 0.00 C ATOM 966 C ILE A 63 -0.682 -9.927 -2.187 1.00 0.00 C ATOM 967 O ILE A 63 -1.895 -10.084 -2.046 1.00 0.00 O ATOM 968 CB ILE A 63 0.082 -7.531 -2.139 1.00 0.00 C ATOM 969 CG1 ILE A 63 0.795 -6.428 -2.932 1.00 0.00 C ATOM 970 CG2 ILE A 63 0.871 -7.879 -0.883 1.00 0.00 C ATOM 971 CD1 ILE A 63 1.951 -6.927 -3.772 1.00 0.00 C ATOM 0 H ILE A 63 -1.454 -7.555 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 63 0.829 -9.080 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.897 -7.164 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.072 -5.936 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.163 -5.674 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.006 -6.982 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.326 -8.627 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.846 -8.277 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.404 -6.089 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.696 -7.393 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.587 -7.659 -4.493 1.00 0.00 H new ATOM 983 N ALA A 64 0.222 -10.733 -1.637 1.00 0.00 N ATOM 984 CA ALA A 64 -0.166 -11.873 -0.819 1.00 0.00 C ATOM 985 C ALA A 64 -0.380 -11.467 0.634 1.00 0.00 C ATOM 986 O ALA A 64 0.448 -10.774 1.224 1.00 0.00 O ATOM 987 CB ALA A 64 0.887 -12.967 -0.909 1.00 0.00 C ATOM 0 H ALA A 64 1.229 -10.616 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.112 -12.255 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.585 -13.814 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.989 -13.290 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.843 -12.582 -0.554 1.00 0.00 H new ATOM 993 N ASP A 65 -1.491 -11.914 1.209 1.00 0.00 N ATOM 994 CA ASP A 65 -1.809 -11.605 2.598 1.00 0.00 C ATOM 995 C ASP A 65 -0.740 -12.162 3.534 1.00 0.00 C ATOM 996 O ASP A 65 -0.616 -11.726 4.678 1.00 0.00 O ATOM 997 CB ASP A 65 -3.178 -12.177 2.972 1.00 0.00 C ATOM 998 CG ASP A 65 -3.794 -11.469 4.163 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.407 -11.787 5.307 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.663 -10.598 3.951 1.00 0.00 O ATOM 0 H ASP A 65 -2.186 -12.491 0.735 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.836 -10.521 2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.849 -12.095 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.076 -13.239 3.197 1.00 0.00 H new ATOM 1005 N ASP A 66 0.034 -13.125 3.039 1.00 0.00 N ATOM 1006 CA ASP A 66 1.094 -13.736 3.831 1.00 0.00 C ATOM 1007 C ASP A 66 2.192 -12.723 4.137 1.00 0.00 C ATOM 1008 O ASP A 66 2.934 -12.870 5.108 1.00 0.00 O ATOM 1009 CB ASP A 66 1.683 -14.941 3.094 1.00 0.00 C ATOM 1010 CG ASP A 66 1.104 -16.254 3.580 1.00 0.00 C ATOM 1011 OD1 ASP A 66 -0.091 -16.509 3.320 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.845 -17.029 4.221 1.00 0.00 O ATOM 0 H ASP A 66 -0.054 -13.498 2.094 1.00 0.00 H new ATOM 0 HA ASP A 66 0.662 -14.074 4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.495 -14.837 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.765 -14.952 3.228 1.00 0.00 H new ATOM 1017 N TYR A 67 2.289 -11.691 3.301 1.00 0.00 N ATOM 1018 CA TYR A 67 3.292 -10.649 3.479 1.00 0.00 C ATOM 1019 C TYR A 67 3.285 -10.122 4.909 1.00 0.00 C ATOM 1020 O TYR A 67 2.288 -10.245 5.621 1.00 0.00 O ATOM 1021 CB TYR A 67 3.026 -9.496 2.509 1.00 0.00 C ATOM 1022 CG TYR A 67 3.374 -9.796 1.066 1.00 0.00 C ATOM 1023 CD1 TYR A 67 3.563 -11.100 0.618 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.513 -8.765 0.150 1.00 0.00 C ATOM 1025 CE1 TYR A 67 3.881 -11.361 -0.702 1.00 0.00 C ATOM 1026 CE2 TYR A 67 3.829 -9.016 -1.169 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.013 -10.315 -1.591 1.00 0.00 C ATOM 1028 OH TYR A 67 4.329 -10.570 -2.907 1.00 0.00 O ATOM 0 H TYR A 67 1.682 -11.556 2.492 1.00 0.00 H new ATOM 0 HA TYR A 67 4.271 -11.083 3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.972 -9.226 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.596 -8.626 2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.460 -11.921 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.371 -7.745 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.025 -12.378 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.932 -8.199 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 67 4.986 -9.913 -3.219 1.00 0.00 H new ATOM 1038 N ASP A 68 4.397 -9.529 5.323 1.00 0.00 N ATOM 1039 CA ASP A 68 4.510 -8.977 6.665 1.00 0.00 C ATOM 1040 C ASP A 68 3.694 -7.695 6.784 1.00 0.00 C ATOM 1041 O ASP A 68 4.244 -6.595 6.739 1.00 0.00 O ATOM 1042 CB ASP A 68 5.975 -8.700 7.006 1.00 0.00 C ATOM 1043 CG ASP A 68 6.869 -9.892 6.725 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.385 -11.038 6.843 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.053 -9.681 6.387 1.00 0.00 O ATOM 0 H ASP A 68 5.233 -9.418 4.749 1.00 0.00 H new ATOM 0 HA ASP A 68 4.118 -9.708 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.324 -7.844 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.055 -8.429 8.059 1.00 0.00 H new ATOM 1050 N LYS A 69 2.378 -7.846 6.932 1.00 0.00 N ATOM 1051 CA LYS A 69 1.474 -6.702 7.055 1.00 0.00 C ATOM 1052 C LYS A 69 2.070 -5.618 7.947 1.00 0.00 C ATOM 1053 O LYS A 69 1.923 -4.425 7.676 1.00 0.00 O ATOM 1054 CB LYS A 69 0.124 -7.150 7.619 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.576 -8.197 6.768 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.904 -8.612 7.381 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.714 -9.659 8.467 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.019 -11.031 7.975 1.00 0.00 N ATOM 0 H LYS A 69 1.913 -8.753 6.970 1.00 0.00 H new ATOM 0 HA LYS A 69 1.329 -6.285 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.274 -7.550 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.526 -6.280 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.744 -7.801 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.067 -9.071 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.401 -7.737 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.557 -9.008 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.687 -9.623 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.359 -9.425 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.759 -11.456 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.351 -10.981 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.160 -11.615 8.021 1.00 0.00 H new ATOM 1072 N LYS A 70 2.750 -6.043 9.005 1.00 0.00 N ATOM 1073 CA LYS A 70 3.377 -5.111 9.932 1.00 0.00 C ATOM 1074 C LYS A 70 4.432 -4.275 9.218 1.00 0.00 C ATOM 1075 O LYS A 70 4.379 -3.048 9.231 1.00 0.00 O ATOM 1076 CB LYS A 70 4.009 -5.865 11.102 1.00 0.00 C ATOM 1077 CG LYS A 70 2.997 -6.587 11.978 1.00 0.00 C ATOM 1078 CD LYS A 70 3.199 -8.094 11.942 1.00 0.00 C ATOM 1079 CE LYS A 70 1.878 -8.839 12.059 1.00 0.00 C ATOM 1080 NZ LYS A 70 1.517 -9.529 10.790 1.00 0.00 N ATOM 0 H LYS A 70 2.881 -7.027 9.242 1.00 0.00 H new ATOM 0 HA LYS A 70 2.607 -4.444 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.723 -6.591 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.572 -5.161 11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.085 -6.232 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.988 -6.347 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.694 -8.373 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.859 -8.393 12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.944 -9.571 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.088 -8.138 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.611 -10.025 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.429 -8.828 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.258 -10.216 10.546 1.00 0.00 H new ATOM 1094 N LYS A 71 5.390 -4.952 8.590 1.00 0.00 N ATOM 1095 CA LYS A 71 6.457 -4.271 7.866 1.00 0.00 C ATOM 1096 C LYS A 71 6.026 -3.904 6.446 1.00 0.00 C ATOM 1097 O LYS A 71 6.828 -3.401 5.658 1.00 0.00 O ATOM 1098 CB LYS A 71 7.708 -5.152 7.817 1.00 0.00 C ATOM 1099 CG LYS A 71 8.990 -4.374 7.570 1.00 0.00 C ATOM 1100 CD LYS A 71 10.069 -5.257 6.965 1.00 0.00 C ATOM 1101 CE LYS A 71 10.626 -6.235 7.986 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.974 -6.735 7.598 1.00 0.00 N ATOM 0 H LYS A 71 5.448 -5.970 8.568 1.00 0.00 H new ATOM 0 HA LYS A 71 6.683 -3.348 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.797 -5.694 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.587 -5.897 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.786 -3.537 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.348 -3.952 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.658 -5.808 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.876 -4.634 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.686 -5.749 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.943 -7.078 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.319 -7.399 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.913 -7.222 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.633 -5.934 7.522 1.00 0.00 H new ATOM 1116 N LEU A 72 4.759 -4.154 6.119 1.00 0.00 N ATOM 1117 CA LEU A 72 4.237 -3.844 4.793 1.00 0.00 C ATOM 1118 C LEU A 72 3.774 -2.391 4.719 1.00 0.00 C ATOM 1119 O LEU A 72 4.263 -1.616 3.899 1.00 0.00 O ATOM 1120 CB LEU A 72 3.083 -4.788 4.443 1.00 0.00 C ATOM 1121 CG LEU A 72 2.819 -4.972 2.945 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.614 -5.874 2.725 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.608 -3.620 2.278 1.00 0.00 C ATOM 0 H LEU A 72 4.078 -4.570 6.754 1.00 0.00 H new ATOM 0 HA LEU A 72 5.039 -3.985 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.288 -5.765 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.173 -4.413 4.912 1.00 0.00 H new ATOM 0 HG LEU A 72 3.689 -5.448 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.440 -5.994 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.803 -6.849 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.735 -5.426 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.421 -3.764 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.752 -3.120 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.499 -3.006 2.410 1.00 0.00 H new ATOM 1135 N VAL A 73 2.829 -2.024 5.582 1.00 0.00 N ATOM 1136 CA VAL A 73 2.311 -0.658 5.605 1.00 0.00 C ATOM 1137 C VAL A 73 3.120 0.226 6.547 1.00 0.00 C ATOM 1138 O VAL A 73 3.399 1.383 6.235 1.00 0.00 O ATOM 1139 CB VAL A 73 0.826 -0.607 6.021 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.072 -0.933 4.839 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.554 -1.550 7.185 1.00 0.00 C ATOM 0 H VAL A 73 2.409 -2.649 6.270 1.00 0.00 H new ATOM 0 HA VAL A 73 2.401 -0.282 4.586 1.00 0.00 H new ATOM 0 HB VAL A 73 0.600 0.407 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.115 -0.892 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.097 -0.208 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.158 -1.934 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.500 -1.495 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.800 -2.571 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.166 -1.260 8.039 1.00 0.00 H new ATOM 1151 N LYS A 74 3.504 -0.322 7.698 1.00 0.00 N ATOM 1152 CA LYS A 74 4.290 0.430 8.670 1.00 0.00 C ATOM 1153 C LYS A 74 5.523 1.025 8.006 1.00 0.00 C ATOM 1154 O LYS A 74 5.894 2.170 8.267 1.00 0.00 O ATOM 1155 CB LYS A 74 4.713 -0.469 9.831 1.00 0.00 C ATOM 1156 CG LYS A 74 5.252 0.296 11.029 1.00 0.00 C ATOM 1157 CD LYS A 74 4.904 -0.399 12.336 1.00 0.00 C ATOM 1158 CE LYS A 74 6.065 -1.235 12.849 1.00 0.00 C ATOM 1159 NZ LYS A 74 5.607 -2.327 13.752 1.00 0.00 N ATOM 0 H LYS A 74 3.285 -1.278 7.978 1.00 0.00 H new ATOM 0 HA LYS A 74 3.669 1.237 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.858 -1.066 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.476 -1.164 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.334 0.392 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.842 1.306 11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.632 0.346 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.032 -1.037 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.604 -1.664 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.767 -0.593 13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.429 -2.874 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.115 -1.917 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.957 -2.954 13.236 1.00 0.00 H new ATOM 1173 N ALA A 75 6.147 0.238 7.138 1.00 0.00 N ATOM 1174 CA ALA A 75 7.332 0.684 6.423 1.00 0.00 C ATOM 1175 C ALA A 75 6.992 1.848 5.499 1.00 0.00 C ATOM 1176 O ALA A 75 7.818 2.728 5.264 1.00 0.00 O ATOM 1177 CB ALA A 75 7.940 -0.466 5.635 1.00 0.00 C ATOM 0 H ALA A 75 5.851 -0.712 6.914 1.00 0.00 H new ATOM 0 HA ALA A 75 8.067 1.029 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.826 -0.116 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.219 -1.268 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.211 -0.839 4.916 1.00 0.00 H new ATOM 1183 N PHE A 76 5.763 1.850 4.986 1.00 0.00 N ATOM 1184 CA PHE A 76 5.311 2.912 4.098 1.00 0.00 C ATOM 1185 C PHE A 76 5.252 4.241 4.841 1.00 0.00 C ATOM 1186 O PHE A 76 5.884 5.219 4.444 1.00 0.00 O ATOM 1187 CB PHE A 76 3.932 2.581 3.525 1.00 0.00 C ATOM 1188 CG PHE A 76 3.682 3.230 2.196 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.175 2.658 1.036 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.971 4.415 2.107 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.966 3.256 -0.188 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.757 5.017 0.884 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.256 4.437 -0.267 1.00 0.00 C ATOM 0 H PHE A 76 5.066 1.129 5.171 1.00 0.00 H new ATOM 0 HA PHE A 76 6.025 2.995 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.838 1.500 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.165 2.901 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.730 1.733 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.580 4.873 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.358 2.800 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.200 5.941 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.091 4.907 -1.225 1.00 0.00 H new ATOM 1203 N LYS A 77 4.484 4.264 5.925 1.00 0.00 N ATOM 1204 CA LYS A 77 4.330 5.464 6.739 1.00 0.00 C ATOM 1205 C LYS A 77 5.682 6.004 7.201 1.00 0.00 C ATOM 1206 O LYS A 77 5.806 7.179 7.539 1.00 0.00 O ATOM 1207 CB LYS A 77 3.453 5.158 7.952 1.00 0.00 C ATOM 1208 CG LYS A 77 2.097 4.571 7.589 1.00 0.00 C ATOM 1209 CD LYS A 77 1.889 3.199 8.212 1.00 0.00 C ATOM 1210 CE LYS A 77 0.607 3.146 9.031 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.032 1.774 9.075 1.00 0.00 N ATOM 0 H LYS A 77 3.955 3.459 6.262 1.00 0.00 H new ATOM 0 HA LYS A 77 3.854 6.228 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.979 4.461 8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.302 6.075 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.308 5.245 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.013 4.494 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.852 2.444 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.739 2.955 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.811 3.487 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.125 3.833 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.770 1.755 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.295 1.504 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.759 1.103 9.394 1.00 0.00 H new ATOM 1225 N LYS A 78 6.691 5.140 7.222 1.00 0.00 N ATOM 1226 CA LYS A 78 8.026 5.540 7.651 1.00 0.00 C ATOM 1227 C LYS A 78 8.881 5.986 6.468 1.00 0.00 C ATOM 1228 O LYS A 78 9.884 6.678 6.642 1.00 0.00 O ATOM 1229 CB LYS A 78 8.714 4.384 8.377 1.00 0.00 C ATOM 1230 CG LYS A 78 9.811 4.831 9.332 1.00 0.00 C ATOM 1231 CD LYS A 78 11.061 3.977 9.189 1.00 0.00 C ATOM 1232 CE LYS A 78 11.057 2.814 10.167 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.496 1.577 9.559 1.00 0.00 N ATOM 0 H LYS A 78 6.610 4.161 6.948 1.00 0.00 H new ATOM 0 HA LYS A 78 7.918 6.385 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.966 3.820 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.141 3.705 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.059 5.875 9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.446 4.774 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.128 3.596 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.945 4.593 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.075 2.622 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.473 3.082 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.511 0.808 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.516 1.752 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.068 1.305 8.734 1.00 0.00 H new ATOM 1247 N LYS A 79 8.490 5.576 5.265 1.00 0.00 N ATOM 1248 CA LYS A 79 9.235 5.926 4.061 1.00 0.00 C ATOM 1249 C LYS A 79 8.576 7.075 3.299 1.00 0.00 C ATOM 1250 O LYS A 79 9.256 7.852 2.630 1.00 0.00 O ATOM 1251 CB LYS A 79 9.359 4.705 3.148 1.00 0.00 C ATOM 1252 CG LYS A 79 10.640 4.686 2.329 1.00 0.00 C ATOM 1253 CD LYS A 79 10.425 4.037 0.971 1.00 0.00 C ATOM 1254 CE LYS A 79 11.077 4.842 -0.142 1.00 0.00 C ATOM 1255 NZ LYS A 79 10.496 6.208 -0.255 1.00 0.00 N ATOM 0 H LYS A 79 7.663 5.002 5.099 1.00 0.00 H new ATOM 0 HA LYS A 79 10.226 6.256 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.312 3.801 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.505 4.679 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.001 5.705 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.413 4.144 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.836 3.028 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.357 3.944 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.148 4.918 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.955 4.316 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.788 6.636 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.458 6.148 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.835 6.796 0.533 1.00 0.00 H new ATOM 1269 N PHE A 80 7.252 7.173 3.391 1.00 0.00 N ATOM 1270 CA PHE A 80 6.520 8.227 2.690 1.00 0.00 C ATOM 1271 C PHE A 80 5.793 9.160 3.657 1.00 0.00 C ATOM 1272 O PHE A 80 5.362 10.245 3.270 1.00 0.00 O ATOM 1273 CB PHE A 80 5.518 7.609 1.715 1.00 0.00 C ATOM 1274 CG PHE A 80 6.115 6.545 0.840 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.149 5.225 1.258 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.643 6.866 -0.400 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.698 4.244 0.457 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.195 5.889 -1.206 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.223 4.576 -0.778 1.00 0.00 C ATOM 0 H PHE A 80 6.667 6.542 3.939 1.00 0.00 H new ATOM 0 HA PHE A 80 7.250 8.822 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.689 7.182 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.103 8.396 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.741 4.960 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.623 7.891 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.717 3.218 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.604 6.152 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.654 3.811 -1.407 1.00 0.00 H new ATOM 1289 N ALA A 81 5.651 8.738 4.911 1.00 0.00 N ATOM 1290 CA ALA A 81 4.965 9.549 5.914 1.00 0.00 C ATOM 1291 C ALA A 81 3.458 9.547 5.675 1.00 0.00 C ATOM 1292 O ALA A 81 2.752 10.467 6.089 1.00 0.00 O ATOM 1293 CB ALA A 81 5.501 10.974 5.910 1.00 0.00 C ATOM 0 H ALA A 81 6.000 7.844 5.256 1.00 0.00 H new ATOM 0 HA ALA A 81 5.157 9.110 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.977 11.562 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.567 10.962 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.343 11.420 4.928 1.00 0.00 H new ATOM 1299 N CYS A 82 2.972 8.504 5.009 1.00 0.00 N ATOM 1300 CA CYS A 82 1.551 8.374 4.715 1.00 0.00 C ATOM 1301 C CYS A 82 0.902 7.379 5.671 1.00 0.00 C ATOM 1302 O CYS A 82 1.467 7.055 6.715 1.00 0.00 O ATOM 1303 CB CYS A 82 1.347 7.925 3.266 1.00 0.00 C ATOM 1304 SG CYS A 82 2.374 8.807 2.067 1.00 0.00 S ATOM 0 H CYS A 82 3.545 7.735 4.662 1.00 0.00 H new ATOM 0 HA CYS A 82 1.078 9.347 4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.559 6.858 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.299 8.060 2.999 1.00 0.00 H new ATOM 0 HG CYS A 82 2.638 8.025 1.063 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.281 6.894 5.311 1.00 0.00 N ATOM 1311 CA ASN A 83 -0.993 5.933 6.139 1.00 0.00 C ATOM 1312 C ASN A 83 -1.255 4.650 5.350 1.00 0.00 C ATOM 1313 O ASN A 83 -1.976 4.657 4.353 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.305 6.549 6.650 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.419 5.534 6.821 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.047 5.161 5.713 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -3.710 5.091 7.932 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.766 7.152 4.451 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.379 5.678 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.120 7.039 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.631 7.322 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.200 5.407 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.462 4.408 8.028 1.00 0.00 H new ATOM 1324 N GLY A 84 -0.656 3.554 5.801 1.00 0.00 N ATOM 1325 CA GLY A 84 -0.833 2.281 5.127 1.00 0.00 C ATOM 1326 C GLY A 84 -1.733 1.340 5.900 1.00 0.00 C ATOM 1327 O GLY A 84 -1.441 0.991 7.043 1.00 0.00 O ATOM 0 H GLY A 84 -0.051 3.524 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.256 2.453 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.140 1.812 4.981 1.00 0.00 H new ATOM 1331 N THR A 85 -2.833 0.934 5.278 1.00 0.00 N ATOM 1332 CA THR A 85 -3.782 0.030 5.922 1.00 0.00 C ATOM 1333 C THR A 85 -3.973 -1.244 5.107 1.00 0.00 C ATOM 1334 O THR A 85 -3.794 -1.247 3.892 1.00 0.00 O ATOM 1335 CB THR A 85 -5.129 0.729 6.117 1.00 0.00 C ATOM 1336 OG1 THR A 85 -5.796 0.887 4.876 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.007 2.099 6.749 1.00 0.00 C ATOM 0 H THR A 85 -3.091 1.214 4.332 1.00 0.00 H new ATOM 0 HA THR A 85 -3.374 -0.245 6.895 1.00 0.00 H new ATOM 0 HB THR A 85 -5.694 0.085 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.297 1.517 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.998 2.539 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.540 2.007 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.394 2.739 6.114 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.343 -2.325 5.787 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.567 -3.609 5.130 1.00 0.00 C ATOM 1347 C VAL A 86 -6.059 -3.930 5.072 1.00 0.00 C ATOM 1348 O VAL A 86 -6.736 -3.952 6.100 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.834 -4.750 5.863 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.346 -4.893 7.289 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -3.983 -6.059 5.100 1.00 0.00 C ATOM 0 H VAL A 86 -4.494 -2.337 6.796 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.170 -3.528 4.118 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.774 -4.501 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.814 -5.704 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.178 -3.962 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.413 -5.115 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.459 -6.852 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.040 -6.314 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.557 -5.949 4.103 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.570 -4.172 3.868 1.00 0.00 N ATOM 1362 CA ILE A 87 -7.984 -4.485 3.693 1.00 0.00 C ATOM 1363 C ILE A 87 -8.186 -5.649 2.729 1.00 0.00 C ATOM 1364 O ILE A 87 -7.334 -5.931 1.887 1.00 0.00 O ATOM 1365 CB ILE A 87 -8.770 -3.269 3.165 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.215 -2.818 1.812 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.724 -2.126 4.167 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.198 -2.007 0.996 1.00 0.00 C ATOM 0 H ILE A 87 -6.029 -4.157 3.003 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.361 -4.762 4.678 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.810 -3.565 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.315 -2.225 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.917 -3.696 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.284 -1.277 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.166 -2.450 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.688 -1.831 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.737 -1.721 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.088 -2.604 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.477 -1.110 1.549 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.331 -6.313 2.853 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.663 -7.437 1.989 1.00 0.00 C ATOM 1382 C GLU A 88 -10.812 -7.065 1.060 1.00 0.00 C ATOM 1383 O GLU A 88 -11.951 -7.487 1.260 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.038 -8.660 2.823 1.00 0.00 C ATOM 1385 CG GLU A 88 -9.748 -9.974 2.123 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.422 -11.155 2.792 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.522 -10.970 3.355 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -9.851 -12.265 2.755 1.00 0.00 O ATOM 0 H GLU A 88 -10.045 -6.090 3.546 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.787 -7.681 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.492 -8.630 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.099 -8.613 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.081 -9.910 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.671 -10.140 2.102 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.503 -6.261 0.049 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.501 -5.814 -0.912 1.00 0.00 C ATOM 1397 C HIS A 89 -12.202 -6.997 -1.577 1.00 0.00 C ATOM 1398 O HIS A 89 -11.578 -8.019 -1.862 1.00 0.00 O ATOM 1399 CB HIS A 89 -10.847 -4.932 -1.973 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.739 -3.842 -2.474 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.363 -3.889 -3.701 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.121 -2.675 -1.902 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.090 -2.800 -3.866 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.962 -2.047 -2.790 1.00 0.00 N ATOM 0 H HIS A 89 -9.563 -5.904 -0.126 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.252 -5.236 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.942 -4.488 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.540 -5.555 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.821 -2.307 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.688 -2.565 -4.734 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.414 -1.145 -2.641 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.516 -6.872 -1.838 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.300 -7.930 -2.473 1.00 0.00 C ATOM 1415 C PRO A 90 -14.159 -7.921 -3.991 1.00 0.00 C ATOM 1416 O PRO A 90 -14.322 -8.951 -4.647 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.727 -7.577 -2.067 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.730 -6.089 -1.971 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.343 -5.686 -1.533 1.00 0.00 C ATOM 0 HA PRO A 90 -13.982 -8.927 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.448 -7.929 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.994 -8.037 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.980 -5.639 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.478 -5.748 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -13.994 -4.806 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.315 -5.441 -0.471 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.853 -6.751 -4.544 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.689 -6.604 -5.985 1.00 0.00 C ATOM 1429 C GLU A 91 -12.306 -7.075 -6.428 1.00 0.00 C ATOM 1430 O GLU A 91 -12.110 -7.448 -7.585 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.904 -5.147 -6.399 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.271 -4.882 -7.006 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.337 -5.246 -8.476 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.278 -5.244 -9.136 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.450 -5.532 -8.966 1.00 0.00 O ATOM 0 H GLU A 91 -13.714 -5.890 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.437 -7.227 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.773 -4.507 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.135 -4.865 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.023 -5.452 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.520 -3.828 -6.885 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.350 -7.052 -5.505 1.00 0.00 N ATOM 1443 CA TYR A 92 -9.986 -7.475 -5.809 1.00 0.00 C ATOM 1444 C TYR A 92 -9.588 -8.685 -4.971 1.00 0.00 C ATOM 1445 O TYR A 92 -9.088 -9.679 -5.498 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.006 -6.326 -5.562 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.576 -4.960 -5.874 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.374 -4.762 -6.993 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.317 -3.872 -5.049 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.899 -3.517 -7.282 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.838 -2.624 -5.332 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.628 -2.452 -6.449 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.148 -1.210 -6.734 1.00 0.00 O ATOM 0 H TYR A 92 -11.493 -6.746 -4.543 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.949 -7.758 -6.861 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.690 -6.348 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.114 -6.485 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.588 -5.594 -7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.699 -4.004 -4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.518 -3.379 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.628 -1.788 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.863 -0.571 -6.048 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.811 -8.595 -3.665 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.468 -9.690 -2.778 1.00 0.00 C ATOM 1465 C GLY A 93 -8.107 -9.512 -2.133 1.00 0.00 C ATOM 1466 O GLY A 93 -7.080 -9.795 -2.749 1.00 0.00 O ATOM 0 H GLY A 93 -10.223 -7.783 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.227 -9.774 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.481 -10.625 -3.338 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.099 -9.045 -0.888 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.855 -8.833 -0.156 1.00 0.00 C ATOM 1472 C GLU A 94 -6.001 -7.756 -0.824 1.00 0.00 C ATOM 1473 O GLU A 94 -5.222 -8.045 -1.733 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.067 -10.141 -0.059 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.969 -10.686 1.356 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.236 -12.178 1.427 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -5.827 -12.899 0.492 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.853 -12.624 2.416 1.00 0.00 O ATOM 0 H GLU A 94 -8.941 -8.806 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.109 -8.494 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.540 -10.889 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.062 -9.980 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.975 -10.479 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.682 -10.162 1.993 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.152 -6.517 -0.368 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.394 -5.401 -0.921 1.00 0.00 C ATOM 1487 C VAL A 95 -5.018 -4.400 0.165 1.00 0.00 C ATOM 1488 O VAL A 95 -5.779 -4.173 1.105 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.189 -4.676 -2.023 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.462 -5.614 -3.186 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.489 -4.117 -1.465 1.00 0.00 C ATOM 0 H VAL A 95 -6.793 -6.261 0.383 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.485 -5.818 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.590 -3.842 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.025 -5.085 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.517 -5.962 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.041 -6.469 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.037 -3.608 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.096 -4.932 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.268 -3.409 -0.666 1.00 0.00 H new ATOM 1501 N ILE A 96 -3.843 -3.796 0.027 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.372 -2.813 0.995 1.00 0.00 C ATOM 1503 C ILE A 96 -3.877 -1.424 0.621 1.00 0.00 C ATOM 1504 O ILE A 96 -3.677 -0.963 -0.501 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.828 -2.827 1.098 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.396 -3.795 2.206 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.262 -1.429 1.344 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.529 -3.234 3.604 1.00 0.00 C ATOM 0 H ILE A 96 -3.200 -3.970 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.771 -3.078 1.974 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.425 -3.168 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.993 -4.704 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.358 -4.082 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.175 -1.483 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.543 -0.772 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.663 -1.033 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.203 -3.981 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.909 -2.342 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.570 -2.974 3.794 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.545 -0.772 1.565 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.098 0.556 1.332 1.00 0.00 C ATOM 1522 C GLN A 97 -4.186 1.650 1.877 1.00 0.00 C ATOM 1523 O GLN A 97 -4.039 1.808 3.089 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.487 0.670 1.966 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.575 1.066 0.982 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.840 1.538 1.670 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.790 2.323 2.617 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.985 1.061 1.195 1.00 0.00 N ATOM 0 H GLN A 97 -4.717 -1.142 2.500 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.179 0.694 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.750 -0.286 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.451 1.405 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.202 1.858 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.809 0.214 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.980 0.412 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.869 1.344 1.617 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.597 2.415 0.968 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.718 3.516 1.335 1.00 0.00 C ATOM 1539 C LEU A 98 -3.518 4.809 1.393 1.00 0.00 C ATOM 1540 O LEU A 98 -4.655 4.860 0.931 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.586 3.648 0.315 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.232 3.088 0.756 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.390 1.742 1.455 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.691 2.961 -0.445 1.00 0.00 C ATOM 0 H LEU A 98 -3.714 2.291 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.285 3.316 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.887 3.143 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.461 4.703 0.072 1.00 0.00 H new ATOM 0 HG LEU A 98 0.209 3.782 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.590 1.371 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.019 1.862 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.854 1.030 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.653 2.562 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.245 2.288 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.838 3.942 -0.896 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.928 5.853 1.958 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.606 7.140 2.061 1.00 0.00 C ATOM 1558 C GLN A 99 -3.044 8.135 1.050 1.00 0.00 C ATOM 1559 O GLN A 99 -1.833 8.203 0.838 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.477 7.699 3.478 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.792 7.736 4.239 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.570 9.014 3.996 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.526 9.944 4.801 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.288 9.067 2.880 1.00 0.00 N ATOM 0 H GLN A 99 -1.987 5.836 2.350 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.662 6.984 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.761 7.094 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.068 8.708 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.402 6.882 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.593 7.633 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.296 8.273 2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.832 9.902 2.663 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.933 8.903 0.427 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.510 9.882 -0.557 1.00 0.00 C ATOM 1575 C GLY A 100 -3.039 9.236 -1.843 1.00 0.00 C ATOM 1576 O GLY A 100 -2.936 8.011 -1.926 1.00 0.00 O ATOM 0 H GLY A 100 -4.940 8.864 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.338 10.557 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.705 10.488 -0.141 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.752 10.053 -2.850 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.290 9.540 -4.134 1.00 0.00 C ATOM 1582 C ASP A 101 -0.885 8.960 -4.008 1.00 0.00 C ATOM 1583 O ASP A 101 0.106 9.690 -4.022 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.312 10.644 -5.192 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.600 11.901 -4.734 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -2.197 12.671 -3.953 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.444 12.117 -5.157 1.00 0.00 O ATOM 0 H ASP A 101 -2.831 11.069 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.967 8.744 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.843 10.277 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.346 10.885 -5.439 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.811 7.639 -3.876 1.00 0.00 N ATOM 1593 CA GLN A 102 0.464 6.948 -3.736 1.00 0.00 C ATOM 1594 C GLN A 102 0.725 6.013 -4.918 1.00 0.00 C ATOM 1595 O GLN A 102 1.729 5.306 -4.943 1.00 0.00 O ATOM 1596 CB GLN A 102 0.480 6.143 -2.434 1.00 0.00 C ATOM 1597 CG GLN A 102 1.213 6.824 -1.289 1.00 0.00 C ATOM 1598 CD GLN A 102 0.917 8.308 -1.197 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.360 8.656 -1.242 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.828 9.129 -1.087 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.625 7.024 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 102 1.252 7.701 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.548 5.948 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.945 5.176 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.935 6.345 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.286 6.680 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.798 8.814 -1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.613 10.124 -1.026 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.185 6.004 -5.890 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.044 5.142 -7.062 1.00 0.00 C ATOM 1611 C ARG A 103 1.371 5.206 -7.640 1.00 0.00 C ATOM 1612 O ARG A 103 1.844 4.249 -8.253 1.00 0.00 O ATOM 1613 CB ARG A 103 -1.081 5.520 -8.131 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.675 6.691 -9.019 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.741 8.017 -8.275 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.642 8.964 -8.926 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.402 9.522 -10.109 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.293 9.230 -10.776 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.276 10.374 -10.629 1.00 0.00 N ATOM 0 H ARG A 103 -1.025 6.582 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.224 4.115 -6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.268 4.650 -8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.021 5.764 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.338 6.532 -9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.329 6.730 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.075 7.843 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.258 8.449 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.507 9.212 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.381 8.574 -10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.115 9.661 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.131 10.601 -10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.093 10.802 -11.536 1.00 0.00 H new ATOM 1633 N LYS A 104 2.039 6.338 -7.441 1.00 0.00 N ATOM 1634 CA LYS A 104 3.395 6.525 -7.945 1.00 0.00 C ATOM 1635 C LYS A 104 4.436 6.199 -6.875 1.00 0.00 C ATOM 1636 O LYS A 104 5.581 5.879 -7.191 1.00 0.00 O ATOM 1637 CB LYS A 104 3.583 7.963 -8.433 1.00 0.00 C ATOM 1638 CG LYS A 104 4.932 8.214 -9.088 1.00 0.00 C ATOM 1639 CD LYS A 104 5.511 9.558 -8.676 1.00 0.00 C ATOM 1640 CE LYS A 104 5.920 9.564 -7.212 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.538 10.859 -6.814 1.00 0.00 N ATOM 0 H LYS A 104 1.663 7.140 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 104 3.539 5.838 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.793 8.202 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.467 8.642 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.625 7.419 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.823 8.181 -10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.376 9.788 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.774 10.342 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.046 9.373 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.625 8.753 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.803 10.823 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.387 11.030 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.856 11.630 -6.965 1.00 0.00 H new ATOM 1655 N ASN A 105 4.037 6.288 -5.609 1.00 0.00 N ATOM 1656 CA ASN A 105 4.949 6.008 -4.502 1.00 0.00 C ATOM 1657 C ASN A 105 4.871 4.545 -4.076 1.00 0.00 C ATOM 1658 O ASN A 105 5.863 3.966 -3.633 1.00 0.00 O ATOM 1659 CB ASN A 105 4.631 6.911 -3.310 1.00 0.00 C ATOM 1660 CG ASN A 105 5.112 8.333 -3.519 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.312 8.607 -3.488 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.174 9.248 -3.733 1.00 0.00 N ATOM 0 H ASN A 105 3.093 6.550 -5.324 1.00 0.00 H new ATOM 0 HA ASN A 105 5.963 6.211 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.555 6.916 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.095 6.501 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.436 10.223 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.191 8.976 -3.750 1.00 0.00 H new ATOM 1669 N ILE A 106 3.690 3.954 -4.202 1.00 0.00 N ATOM 1670 CA ILE A 106 3.495 2.563 -3.821 1.00 0.00 C ATOM 1671 C ILE A 106 4.307 1.629 -4.711 1.00 0.00 C ATOM 1672 O ILE A 106 5.017 0.753 -4.217 1.00 0.00 O ATOM 1673 CB ILE A 106 2.007 2.166 -3.862 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.819 0.765 -3.280 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.469 2.240 -5.282 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.331 0.628 -1.861 1.00 0.00 C ATOM 0 H ILE A 106 2.855 4.415 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 106 3.847 2.462 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 106 1.442 2.871 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.759 0.510 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.334 0.044 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.417 1.956 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.572 3.258 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.032 1.559 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.166 -0.391 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.398 0.852 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.799 1.325 -1.213 1.00 0.00 H new ATOM 1688 N CYS A 107 4.223 1.832 -6.025 1.00 0.00 N ATOM 1689 CA CYS A 107 4.982 1.015 -6.966 1.00 0.00 C ATOM 1690 C CYS A 107 6.456 1.036 -6.582 1.00 0.00 C ATOM 1691 O CYS A 107 7.168 0.038 -6.711 1.00 0.00 O ATOM 1692 CB CYS A 107 4.802 1.539 -8.392 1.00 0.00 C ATOM 1693 SG CYS A 107 5.037 3.323 -8.555 1.00 0.00 S ATOM 0 H CYS A 107 3.642 2.550 -6.458 1.00 0.00 H new ATOM 0 HA CYS A 107 4.613 -0.010 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.508 1.029 -9.047 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.801 1.282 -8.739 1.00 0.00 H new ATOM 0 HG CYS A 107 5.283 3.837 -7.386 1.00 0.00 H new ATOM 1699 N GLN A 108 6.889 2.187 -6.081 1.00 0.00 N ATOM 1700 CA GLN A 108 8.266 2.370 -5.640 1.00 0.00 C ATOM 1701 C GLN A 108 8.536 1.522 -4.408 1.00 0.00 C ATOM 1702 O GLN A 108 9.566 0.857 -4.304 1.00 0.00 O ATOM 1703 CB GLN A 108 8.518 3.842 -5.305 1.00 0.00 C ATOM 1704 CG GLN A 108 9.008 4.666 -6.481 1.00 0.00 C ATOM 1705 CD GLN A 108 10.519 4.812 -6.501 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.047 5.871 -6.835 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.222 3.742 -6.142 1.00 0.00 N ATOM 0 H GLN A 108 6.301 3.013 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 108 8.933 2.062 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.595 4.281 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.252 3.901 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.679 4.199 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.551 5.655 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.742 2.883 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.241 3.780 -6.136 1.00 0.00 H new ATOM 1716 N PHE A 109 7.593 1.562 -3.477 1.00 0.00 N ATOM 1717 CA PHE A 109 7.696 0.815 -2.234 1.00 0.00 C ATOM 1718 C PHE A 109 7.727 -0.687 -2.492 1.00 0.00 C ATOM 1719 O PHE A 109 8.587 -1.397 -1.970 1.00 0.00 O ATOM 1720 CB PHE A 109 6.515 1.162 -1.333 1.00 0.00 C ATOM 1721 CG PHE A 109 6.587 0.533 0.023 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.526 0.960 0.947 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.714 -0.480 0.376 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.591 0.388 2.200 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.772 -1.055 1.629 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.713 -0.620 2.543 1.00 0.00 C ATOM 0 H PHE A 109 6.738 2.112 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 109 8.629 1.091 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.462 2.245 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.592 0.848 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.215 1.749 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.979 -0.825 -0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.328 0.728 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.083 -1.843 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.761 -1.068 3.524 1.00 0.00 H new ATOM 1736 N LEU A 110 6.783 -1.163 -3.295 1.00 0.00 N ATOM 1737 CA LEU A 110 6.697 -2.582 -3.619 1.00 0.00 C ATOM 1738 C LEU A 110 8.018 -3.093 -4.182 1.00 0.00 C ATOM 1739 O LEU A 110 8.371 -4.259 -4.005 1.00 0.00 O ATOM 1740 CB LEU A 110 5.569 -2.825 -4.625 1.00 0.00 C ATOM 1741 CG LEU A 110 4.207 -3.153 -4.010 1.00 0.00 C ATOM 1742 CD1 LEU A 110 3.887 -2.195 -2.874 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.118 -3.101 -5.072 1.00 0.00 C ATOM 0 H LEU A 110 6.065 -0.586 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 110 6.482 -3.129 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.464 -1.938 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.860 -3.645 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 110 4.248 -4.164 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.914 -2.445 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.652 -2.278 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.865 -1.174 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.155 -3.337 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.080 -2.102 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.338 -3.827 -5.854 1.00 0.00 H new ATOM 1755 N VAL A 111 8.743 -2.212 -4.857 1.00 0.00 N ATOM 1756 CA VAL A 111 10.025 -2.570 -5.443 1.00 0.00 C ATOM 1757 C VAL A 111 11.177 -2.195 -4.513 1.00 0.00 C ATOM 1758 O VAL A 111 12.257 -2.784 -4.578 1.00 0.00 O ATOM 1759 CB VAL A 111 10.224 -1.880 -6.808 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.582 -2.229 -7.402 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.102 -2.258 -7.765 1.00 0.00 C ATOM 0 H VAL A 111 8.464 -1.243 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 111 10.023 -3.650 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 111 10.194 -0.802 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.697 -1.730 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.371 -1.900 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.651 -3.308 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.258 -1.762 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.097 -3.338 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.146 -1.945 -7.346 1.00 0.00 H new ATOM 1771 N GLU A 112 10.942 -1.210 -3.652 1.00 0.00 N ATOM 1772 CA GLU A 112 11.961 -0.757 -2.713 1.00 0.00 C ATOM 1773 C GLU A 112 12.127 -1.746 -1.563 1.00 0.00 C ATOM 1774 O GLU A 112 13.243 -2.005 -1.111 1.00 0.00 O ATOM 1775 CB GLU A 112 11.597 0.624 -2.162 1.00 0.00 C ATOM 1776 CG GLU A 112 11.882 1.761 -3.131 1.00 0.00 C ATOM 1777 CD GLU A 112 13.083 2.591 -2.720 1.00 0.00 C ATOM 1778 OE1 GLU A 112 12.957 3.380 -1.760 1.00 0.00 O ATOM 1779 OE2 GLU A 112 14.146 2.453 -3.360 1.00 0.00 O ATOM 0 H GLU A 112 10.055 -0.711 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 112 12.907 -0.692 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.538 0.635 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.152 0.796 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.052 1.351 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.005 2.405 -3.197 1.00 0.00 H new ATOM 1786 N ILE A 113 11.013 -2.297 -1.090 1.00 0.00 N ATOM 1787 CA ILE A 113 11.043 -3.256 0.007 1.00 0.00 C ATOM 1788 C ILE A 113 11.129 -4.690 -0.510 1.00 0.00 C ATOM 1789 O ILE A 113 11.589 -5.588 0.195 1.00 0.00 O ATOM 1790 CB ILE A 113 9.798 -3.116 0.914 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.555 -3.701 0.230 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.570 -1.656 1.273 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.295 -3.580 1.058 1.00 0.00 C ATOM 0 H ILE A 113 10.080 -2.096 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 113 11.935 -3.035 0.593 1.00 0.00 H new ATOM 0 HB ILE A 113 9.976 -3.678 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.403 -3.195 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.734 -4.753 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.691 -1.571 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.442 -1.271 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.414 -1.077 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.458 -4.014 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.427 -4.110 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.091 -2.528 1.259 1.00 0.00 H new ATOM 1805 N GLY A 114 10.673 -4.896 -1.741 1.00 0.00 N ATOM 1806 CA GLY A 114 10.694 -6.222 -2.326 1.00 0.00 C ATOM 1807 C GLY A 114 9.352 -6.913 -2.205 1.00 0.00 C ATOM 1808 O GLY A 114 9.278 -8.141 -2.145 1.00 0.00 O ATOM 0 H GLY A 114 10.289 -4.168 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.972 -6.151 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.458 -6.824 -1.834 1.00 0.00 H new ATOM 1812 N LEU A 115 8.287 -6.117 -2.168 1.00 0.00 N ATOM 1813 CA LEU A 115 6.935 -6.648 -2.051 1.00 0.00 C ATOM 1814 C LEU A 115 6.464 -7.207 -3.389 1.00 0.00 C ATOM 1815 O LEU A 115 6.338 -8.420 -3.558 1.00 0.00 O ATOM 1816 CB LEU A 115 5.978 -5.556 -1.563 1.00 0.00 C ATOM 1817 CG LEU A 115 4.962 -5.996 -0.504 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.645 -6.771 0.614 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.224 -4.790 0.056 1.00 0.00 C ATOM 0 H LEU A 115 8.336 -5.099 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 115 6.942 -7.458 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.568 -4.735 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.434 -5.163 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 115 4.237 -6.657 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.903 -7.073 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.127 -7.657 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.395 -6.139 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.506 -5.119 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.939 -4.106 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.697 -4.279 -0.750 1.00 0.00 H new ATOM 1831 N ALA A 116 6.217 -6.315 -4.342 1.00 0.00 N ATOM 1832 CA ALA A 116 5.774 -6.722 -5.668 1.00 0.00 C ATOM 1833 C ALA A 116 6.972 -6.935 -6.587 1.00 0.00 C ATOM 1834 O ALA A 116 8.111 -7.021 -6.126 1.00 0.00 O ATOM 1835 CB ALA A 116 4.835 -5.680 -6.257 1.00 0.00 C ATOM 0 H ALA A 116 6.316 -5.307 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 116 5.234 -7.664 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.513 -5.999 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.964 -5.568 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.354 -4.725 -6.334 1.00 0.00 H new ATOM 1841 N LYS A 117 6.714 -7.011 -7.888 1.00 0.00 N ATOM 1842 CA LYS A 117 7.778 -7.203 -8.866 1.00 0.00 C ATOM 1843 C LYS A 117 7.780 -6.067 -9.883 1.00 0.00 C ATOM 1844 O LYS A 117 6.726 -5.546 -10.244 1.00 0.00 O ATOM 1845 CB LYS A 117 7.616 -8.546 -9.578 1.00 0.00 C ATOM 1846 CG LYS A 117 8.581 -9.613 -9.088 1.00 0.00 C ATOM 1847 CD LYS A 117 9.901 -9.557 -9.843 1.00 0.00 C ATOM 1848 CE LYS A 117 10.964 -8.813 -9.052 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.340 -9.172 -9.493 1.00 0.00 N ATOM 0 H LYS A 117 5.779 -6.943 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 117 8.732 -7.201 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.595 -8.900 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.761 -8.400 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.764 -9.478 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.131 -10.598 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.245 -10.570 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.751 -9.066 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.815 -7.739 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.852 -9.040 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.035 -8.643 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.492 -10.192 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.456 -8.932 -10.498 1.00 0.00 H new ATOM 1863 N ASP A 118 8.968 -5.685 -10.343 1.00 0.00 N ATOM 1864 CA ASP A 118 9.094 -4.609 -11.318 1.00 0.00 C ATOM 1865 C ASP A 118 8.246 -4.899 -12.552 1.00 0.00 C ATOM 1866 O ASP A 118 7.719 -3.985 -13.186 1.00 0.00 O ATOM 1867 CB ASP A 118 10.555 -4.413 -11.720 1.00 0.00 C ATOM 1868 CG ASP A 118 11.140 -5.638 -12.397 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.973 -5.773 -13.627 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.764 -6.462 -11.697 1.00 0.00 O ATOM 0 H ASP A 118 9.853 -6.103 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 118 8.734 -3.690 -10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.632 -3.559 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.144 -4.175 -10.834 1.00 0.00 H new ATOM 1875 N ASP A 119 8.108 -6.180 -12.874 1.00 0.00 N ATOM 1876 CA ASP A 119 7.311 -6.597 -14.019 1.00 0.00 C ATOM 1877 C ASP A 119 5.827 -6.581 -13.665 1.00 0.00 C ATOM 1878 O ASP A 119 4.970 -6.430 -14.534 1.00 0.00 O ATOM 1879 CB ASP A 119 7.725 -7.997 -14.476 1.00 0.00 C ATOM 1880 CG ASP A 119 7.571 -8.186 -15.972 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.753 -7.466 -16.581 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.270 -9.055 -16.536 1.00 0.00 O ATOM 0 H ASP A 119 8.538 -6.947 -12.357 1.00 0.00 H new ATOM 0 HA ASP A 119 7.486 -5.896 -14.835 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.763 -8.176 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.121 -8.740 -13.955 1.00 0.00 H new ATOM 1887 N GLN A 120 5.535 -6.734 -12.375 1.00 0.00 N ATOM 1888 CA GLN A 120 4.160 -6.733 -11.894 1.00 0.00 C ATOM 1889 C GLN A 120 3.666 -5.311 -11.635 1.00 0.00 C ATOM 1890 O GLN A 120 2.484 -5.097 -11.371 1.00 0.00 O ATOM 1891 CB GLN A 120 4.049 -7.556 -10.611 1.00 0.00 C ATOM 1892 CG GLN A 120 4.321 -9.039 -10.807 1.00 0.00 C ATOM 1893 CD GLN A 120 3.936 -9.863 -9.595 1.00 0.00 C ATOM 1894 OE1 GLN A 120 2.705 -9.687 -9.127 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.733 -10.650 -9.085 1.00 0.00 N flip ATOM 0 H GLN A 120 6.236 -6.860 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 120 3.536 -7.180 -12.668 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.751 -7.162 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.049 -7.431 -10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.767 -9.395 -11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.380 -9.186 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.669 -10.754 -9.477 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.458 -11.198 -8.270 1.00 0.00 H new ATOM 1904 N LEU A 121 4.576 -4.342 -11.705 1.00 0.00 N ATOM 1905 CA LEU A 121 4.228 -2.943 -11.472 1.00 0.00 C ATOM 1906 C LEU A 121 3.026 -2.527 -12.317 1.00 0.00 C ATOM 1907 O LEU A 121 3.177 -2.101 -13.461 1.00 0.00 O ATOM 1908 CB LEU A 121 5.422 -2.039 -11.790 1.00 0.00 C ATOM 1909 CG LEU A 121 6.547 -2.060 -10.751 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.819 -1.453 -11.330 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.122 -1.317 -9.489 1.00 0.00 C ATOM 0 H LEU A 121 5.560 -4.500 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 121 3.964 -2.834 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.834 -2.334 -12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.065 -1.015 -11.895 1.00 0.00 H new ATOM 0 HG LEU A 121 6.753 -3.097 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.608 -1.476 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.132 -2.027 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.628 -0.421 -11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.933 -1.342 -8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.889 -0.282 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.239 -1.796 -9.065 1.00 0.00 H new ATOM 1923 N LYS A 122 1.833 -2.653 -11.743 1.00 0.00 N ATOM 1924 CA LYS A 122 0.608 -2.290 -12.441 1.00 0.00 C ATOM 1925 C LYS A 122 -0.078 -1.112 -11.756 1.00 0.00 C ATOM 1926 O LYS A 122 -1.001 -1.297 -10.963 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.343 -3.485 -12.505 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.246 -4.263 -13.806 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.723 -3.437 -14.989 1.00 0.00 C ATOM 1930 CE LYS A 122 0.088 -3.737 -16.239 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.191 -2.762 -17.330 1.00 0.00 N ATOM 0 H LYS A 122 1.691 -3.004 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 122 0.872 -1.993 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.129 -4.155 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.366 -3.133 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.786 -4.572 -13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.843 -5.172 -13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.776 -3.645 -15.178 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.645 -2.377 -14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.150 -3.716 -15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.140 -4.745 -16.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.382 -3.001 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.200 -2.800 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.050 -1.803 -17.008 1.00 0.00 H new ATOM 1945 N VAL A 123 0.382 0.097 -12.062 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.188 1.302 -11.468 1.00 0.00 C ATOM 1947 C VAL A 123 -1.268 1.903 -12.362 1.00 0.00 C ATOM 1948 O VAL A 123 -1.019 2.216 -13.528 1.00 0.00 O ATOM 1949 CB VAL A 123 0.899 2.363 -11.202 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.554 2.805 -12.503 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.313 3.555 -10.459 1.00 0.00 C ATOM 0 H VAL A 123 1.146 0.269 -12.716 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.636 1.006 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 123 1.668 1.914 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.317 3.554 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.015 1.945 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.800 3.234 -13.163 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.095 4.293 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.479 4.004 -11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.097 3.223 -9.505 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.469 2.063 -11.812 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.584 2.627 -12.565 1.00 0.00 C ATOM 1963 C HIS A 124 -4.210 3.804 -11.824 1.00 0.00 C ATOM 1964 O HIS A 124 -5.240 3.659 -11.166 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.642 1.557 -12.827 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.085 0.306 -13.431 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.301 -0.058 -14.743 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.309 -0.665 -12.895 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.683 -1.200 -14.989 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.073 -1.588 -13.884 1.00 0.00 N ATOM 0 H HIS A 124 -2.694 1.810 -10.850 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.196 2.989 -13.517 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.138 1.309 -11.888 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.404 1.965 -13.492 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.852 0.472 -15.419 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.944 -0.706 -11.879 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.678 -1.726 -15.932 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.585 4.970 -11.940 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.101 6.155 -11.282 1.00 0.00 C ATOM 1981 C GLY A 125 -5.437 6.591 -11.851 1.00 0.00 C ATOM 1982 O GLY A 125 -5.548 6.875 -13.044 1.00 0.00 O ATOM 0 H GLY A 125 -2.731 5.116 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.209 5.958 -10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.382 6.968 -11.385 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.454 6.642 -10.998 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.793 7.043 -11.421 1.00 0.00 C ATOM 1988 C PHE A 126 -7.757 8.352 -12.208 1.00 0.00 C ATOM 1989 O PHE A 126 -8.733 8.631 -12.934 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.713 7.179 -10.202 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.554 8.474 -9.449 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.310 9.074 -9.323 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.652 9.090 -8.870 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.166 10.264 -8.633 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.513 10.279 -8.179 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.269 10.866 -8.062 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.752 9.085 -12.089 1.00 0.00 O ATOM 0 H PHE A 126 -6.378 6.410 -10.008 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.186 6.268 -12.079 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.748 7.088 -10.530 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.520 6.350 -9.521 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.444 8.607 -9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.628 8.636 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.192 10.721 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.377 10.748 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.159 11.796 -7.524 1.00 0.00 H new