USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 455 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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.898 K(o=0.9,f=0.23) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.26 K(o=1.3,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= 0.88 (180deg=0.13) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.266 K(o=0.27,f=-7.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 77:sc= 0.79 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 26:sc= 0.426 USER MOD Single : A 85 ASN : amide:sc= 0.323 X(o=0.32,f=-0.0054) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0671) USER MOD Single : A 92 MET CE :methyl -172:sc= 0 (180deg=-0.0681) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.403 -5.800 3.217 1.00 0.00 N ATOM 624 CA LEU A 35 -8.503 -5.456 1.803 1.00 0.00 C ATOM 625 C LEU A 35 -9.569 -6.333 1.139 1.00 0.00 C ATOM 626 O LEU A 35 -9.636 -7.546 1.357 1.00 0.00 O ATOM 627 CB LEU A 35 -7.152 -5.619 1.080 1.00 0.00 C ATOM 628 CG LEU A 35 -6.093 -4.562 1.449 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.231 -4.970 2.644 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.158 -4.349 0.257 1.00 0.00 C ATOM 0 HA LEU A 35 -8.789 -4.407 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.752 -6.608 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.324 -5.581 0.004 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.637 -3.655 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.505 -4.185 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.866 -5.120 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.706 -5.897 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.407 -3.602 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.665 -5.289 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.735 -4.004 -0.601 1.00 0.00 H new ATOM 642 N SER A 36 -10.366 -5.692 0.295 1.00 0.00 N ATOM 643 CA SER A 36 -11.512 -6.274 -0.420 1.00 0.00 C ATOM 644 C SER A 36 -11.309 -6.316 -1.925 1.00 0.00 C ATOM 645 O SER A 36 -11.081 -7.386 -2.493 1.00 0.00 O ATOM 646 CB SER A 36 -12.834 -5.597 -0.025 1.00 0.00 C ATOM 647 OG SER A 36 -13.073 -5.741 1.368 1.00 0.00 O ATOM 0 H SER A 36 -10.231 -4.705 0.074 1.00 0.00 H new ATOM 0 HA SER A 36 -11.580 -7.314 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.799 -4.539 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.657 -6.037 -0.588 1.00 0.00 H new ATOM 0 HG SER A 36 -13.918 -5.303 1.602 1.00 0.00 H new ATOM 653 N GLU A 37 -11.385 -5.164 -2.584 1.00 0.00 N ATOM 654 CA GLU A 37 -11.410 -5.087 -4.050 1.00 0.00 C ATOM 655 C GLU A 37 -11.022 -3.716 -4.599 1.00 0.00 C ATOM 656 O GLU A 37 -10.375 -3.634 -5.637 1.00 0.00 O ATOM 657 CB GLU A 37 -12.807 -5.524 -4.532 1.00 0.00 C ATOM 658 CG GLU A 37 -13.928 -4.489 -4.359 1.00 0.00 C ATOM 659 CD GLU A 37 -15.292 -5.090 -4.751 1.00 0.00 C ATOM 660 OE1 GLU A 37 -16.024 -5.583 -3.858 1.00 0.00 O ATOM 661 OE2 GLU A 37 -15.648 -5.071 -5.955 1.00 0.00 O ATOM 0 H GLU A 37 -11.431 -4.256 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.648 -5.761 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.741 -5.787 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.089 -6.430 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.959 -4.149 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.720 -3.614 -4.975 1.00 0.00 H new ATOM 668 N GLU A 38 -11.338 -2.642 -3.877 1.00 0.00 N ATOM 669 CA GLU A 38 -10.874 -1.288 -4.214 1.00 0.00 C ATOM 670 C GLU A 38 -9.459 -1.036 -3.677 1.00 0.00 C ATOM 671 O GLU A 38 -8.699 -0.265 -4.257 1.00 0.00 O ATOM 672 CB GLU A 38 -11.858 -0.241 -3.668 1.00 0.00 C ATOM 673 CG GLU A 38 -13.230 -0.320 -4.355 1.00 0.00 C ATOM 674 CD GLU A 38 -14.159 0.810 -3.873 1.00 0.00 C ATOM 675 OE1 GLU A 38 -14.193 1.891 -4.513 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.872 0.626 -2.856 1.00 0.00 O ATOM 0 H GLU A 38 -11.922 -2.681 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.835 -1.200 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.982 -0.386 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.440 0.756 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.103 -0.254 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.689 -1.286 -4.146 1.00 0.00 H new ATOM 683 N GLN A 39 -9.079 -1.718 -2.592 1.00 0.00 N ATOM 684 CA GLN A 39 -7.866 -1.448 -1.817 1.00 0.00 C ATOM 685 C GLN A 39 -6.613 -1.953 -2.543 1.00 0.00 C ATOM 686 O GLN A 39 -5.614 -1.245 -2.659 1.00 0.00 O ATOM 687 CB GLN A 39 -8.011 -2.104 -0.431 1.00 0.00 C ATOM 688 CG GLN A 39 -9.178 -1.559 0.419 1.00 0.00 C ATOM 689 CD GLN A 39 -10.558 -2.070 0.000 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.713 -3.033 -0.739 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.625 -1.447 0.430 1.00 0.00 N ATOM 0 H GLN A 39 -9.623 -2.496 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.745 -0.371 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.146 -3.177 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.081 -1.966 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.007 -1.825 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.175 -0.470 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.531 -0.641 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.551 -1.768 0.148 1.00 0.00 H new ATOM 700 N LYS A 40 -6.687 -3.155 -3.122 1.00 0.00 N ATOM 701 CA LYS A 40 -5.622 -3.732 -3.963 1.00 0.00 C ATOM 702 C LYS A 40 -5.492 -3.024 -5.319 1.00 0.00 C ATOM 703 O LYS A 40 -4.379 -2.905 -5.828 1.00 0.00 O ATOM 704 CB LYS A 40 -5.824 -5.253 -4.061 1.00 0.00 C ATOM 705 CG LYS A 40 -7.132 -5.637 -4.775 1.00 0.00 C ATOM 706 CD LYS A 40 -7.596 -7.079 -4.502 1.00 0.00 C ATOM 707 CE LYS A 40 -7.821 -7.386 -3.005 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.544 -8.671 -2.812 1.00 0.00 N ATOM 0 H LYS A 40 -7.497 -3.767 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.655 -3.560 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.982 -5.693 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.824 -5.680 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.918 -4.949 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.999 -5.506 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.524 -7.262 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.853 -7.771 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.860 -7.429 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.390 -6.576 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.158 -9.165 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.556 -8.481 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.425 -9.267 -3.656 1.00 0.00 H new ATOM 722 N LYS A 41 -6.579 -2.419 -5.827 1.00 0.00 N ATOM 723 CA LYS A 41 -6.549 -1.458 -6.958 1.00 0.00 C ATOM 724 C LYS A 41 -5.829 -0.135 -6.645 1.00 0.00 C ATOM 725 O LYS A 41 -5.633 0.674 -7.552 1.00 0.00 O ATOM 726 CB LYS A 41 -7.967 -1.191 -7.497 1.00 0.00 C ATOM 727 CG LYS A 41 -8.614 -2.442 -8.101 1.00 0.00 C ATOM 728 CD LYS A 41 -10.064 -2.151 -8.527 1.00 0.00 C ATOM 729 CE LYS A 41 -10.825 -3.420 -8.935 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.332 -3.995 -10.216 1.00 0.00 N ATOM 0 H LYS A 41 -7.518 -2.581 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.954 -1.943 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.594 -0.817 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.922 -0.408 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.036 -2.777 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.599 -3.253 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.590 -1.665 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.060 -1.450 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.730 -4.166 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.886 -3.189 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.878 -4.849 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.446 -3.296 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.326 -4.242 -10.121 1.00 0.00 H new ATOM 744 N ILE A 42 -5.394 0.071 -5.398 1.00 0.00 N ATOM 745 CA ILE A 42 -4.460 1.131 -4.992 1.00 0.00 C ATOM 746 C ILE A 42 -3.083 0.533 -4.675 1.00 0.00 C ATOM 747 O ILE A 42 -2.094 0.973 -5.254 1.00 0.00 O ATOM 748 CB ILE A 42 -5.050 1.927 -3.810 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.342 2.671 -4.227 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.040 2.924 -3.217 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.419 2.551 -3.148 1.00 0.00 C ATOM 0 H ILE A 42 -5.691 -0.513 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.318 1.833 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.293 1.198 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.118 3.723 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.715 2.260 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.502 3.460 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.164 2.384 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.737 3.635 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.315 3.083 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.659 1.500 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.052 2.985 -2.218 1.00 0.00 H new ATOM 763 N VAL A 43 -2.995 -0.484 -3.804 1.00 0.00 N ATOM 764 CA VAL A 43 -1.702 -1.023 -3.339 1.00 0.00 C ATOM 765 C VAL A 43 -0.948 -1.727 -4.467 1.00 0.00 C ATOM 766 O VAL A 43 0.166 -1.327 -4.797 1.00 0.00 O ATOM 767 CB VAL A 43 -1.848 -1.962 -2.123 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.472 -2.459 -1.653 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.525 -1.262 -0.940 1.00 0.00 C ATOM 0 H VAL A 43 -3.807 -0.954 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.118 -0.162 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.466 -2.798 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.597 -3.119 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.014 -3.004 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.145 -1.607 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.608 -1.958 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.929 -0.401 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.520 -0.929 -1.235 1.00 0.00 H new ATOM 779 N ALA A 44 -1.546 -2.746 -5.091 1.00 0.00 N ATOM 780 CA ALA A 44 -0.886 -3.510 -6.153 1.00 0.00 C ATOM 781 C ALA A 44 -0.726 -2.680 -7.438 1.00 0.00 C ATOM 782 O ALA A 44 0.274 -2.814 -8.142 1.00 0.00 O ATOM 783 CB ALA A 44 -1.636 -4.823 -6.392 1.00 0.00 C ATOM 0 H ALA A 44 -2.492 -3.062 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 44 0.126 -3.756 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.140 -5.386 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.640 -5.412 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.662 -4.607 -6.689 1.00 0.00 H new ATOM 789 N ASP A 45 -1.650 -1.749 -7.695 1.00 0.00 N ATOM 790 CA ASP A 45 -1.470 -0.720 -8.730 1.00 0.00 C ATOM 791 C ASP A 45 -0.205 0.145 -8.508 1.00 0.00 C ATOM 792 O ASP A 45 0.501 0.450 -9.469 1.00 0.00 O ATOM 793 CB ASP A 45 -2.732 0.143 -8.798 1.00 0.00 C ATOM 794 CG ASP A 45 -2.681 1.143 -9.965 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.506 2.360 -9.718 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.830 0.712 -11.135 1.00 0.00 O ATOM 0 H ASP A 45 -2.538 -1.685 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.315 -1.223 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.606 -0.499 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.852 0.685 -7.860 1.00 0.00 H new ATOM 801 N TYR A 46 0.144 0.468 -7.254 1.00 0.00 N ATOM 802 CA TYR A 46 1.397 1.152 -6.894 1.00 0.00 C ATOM 803 C TYR A 46 2.621 0.226 -7.047 1.00 0.00 C ATOM 804 O TYR A 46 3.667 0.645 -7.551 1.00 0.00 O ATOM 805 CB TYR A 46 1.285 1.706 -5.457 1.00 0.00 C ATOM 806 CG TYR A 46 1.994 3.021 -5.177 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.389 3.967 -4.325 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.250 3.312 -5.737 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.037 5.179 -4.018 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.864 4.555 -5.514 1.00 0.00 C ATOM 811 CZ TYR A 46 3.271 5.489 -4.635 1.00 0.00 C ATOM 812 OH TYR A 46 3.912 6.658 -4.360 1.00 0.00 O ATOM 0 H TYR A 46 -0.445 0.258 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 46 1.550 1.982 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.228 1.832 -5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.677 0.955 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.417 3.760 -3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.748 2.572 -6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.594 5.868 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.790 4.797 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 46 4.746 6.702 -4.873 1.00 0.00 H new ATOM 822 N ILE A 47 2.507 -1.061 -6.705 1.00 0.00 N ATOM 823 CA ILE A 47 3.589 -2.044 -6.930 1.00 0.00 C ATOM 824 C ILE A 47 3.950 -2.126 -8.427 1.00 0.00 C ATOM 825 O ILE A 47 5.127 -2.195 -8.784 1.00 0.00 O ATOM 826 CB ILE A 47 3.211 -3.416 -6.317 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.915 -3.356 -4.796 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.289 -4.482 -6.555 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.783 -2.384 -3.986 1.00 0.00 C ATOM 0 H ILE A 47 1.674 -1.455 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 47 4.490 -1.711 -6.416 1.00 0.00 H new ATOM 0 HB ILE A 47 2.295 -3.694 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.869 -3.081 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.038 -4.356 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.975 -5.424 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.433 -4.621 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.226 -4.159 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.491 -2.423 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.831 -2.666 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.644 -1.371 -4.364 1.00 0.00 H new ATOM 841 N SER A 48 2.959 -1.979 -9.308 1.00 0.00 N ATOM 842 CA SER A 48 3.142 -1.867 -10.765 1.00 0.00 C ATOM 843 C SER A 48 3.628 -0.487 -11.252 1.00 0.00 C ATOM 844 O SER A 48 3.900 -0.334 -12.445 1.00 0.00 O ATOM 845 CB SER A 48 1.838 -2.240 -11.485 1.00 0.00 C ATOM 846 OG SER A 48 1.501 -3.598 -11.241 1.00 0.00 O ATOM 0 H SER A 48 1.980 -1.933 -9.026 1.00 0.00 H new ATOM 0 HA SER A 48 3.941 -2.566 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.030 -1.593 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.948 -2.074 -12.557 1.00 0.00 H new ATOM 0 HG SER A 48 0.667 -3.817 -11.706 1.00 0.00 H new ATOM 852 N GLU A 49 3.754 0.523 -10.381 1.00 0.00 N ATOM 853 CA GLU A 49 4.089 1.907 -10.748 1.00 0.00 C ATOM 854 C GLU A 49 5.525 2.314 -10.360 1.00 0.00 C ATOM 855 O GLU A 49 6.123 3.138 -11.058 1.00 0.00 O ATOM 856 CB GLU A 49 3.018 2.828 -10.132 1.00 0.00 C ATOM 857 CG GLU A 49 3.233 4.311 -10.444 1.00 0.00 C ATOM 858 CD GLU A 49 1.959 5.139 -10.190 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.157 5.327 -11.138 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.763 5.635 -9.054 1.00 0.00 O ATOM 0 H GLU A 49 3.623 0.398 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 49 4.079 2.003 -11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.037 2.527 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.010 2.690 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.046 4.698 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.538 4.423 -11.484 1.00 0.00 H new ATOM 867 N VAL A 50 6.101 1.746 -9.287 1.00 0.00 N ATOM 868 CA VAL A 50 7.402 2.200 -8.738 1.00 0.00 C ATOM 869 C VAL A 50 8.401 1.094 -8.347 1.00 0.00 C ATOM 870 O VAL A 50 9.602 1.357 -8.259 1.00 0.00 O ATOM 871 CB VAL A 50 7.133 3.158 -7.561 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.923 2.427 -6.232 1.00 0.00 C ATOM 873 CG2 VAL A 50 8.208 4.244 -7.462 1.00 0.00 C ATOM 0 H VAL A 50 5.687 0.966 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 50 7.912 2.709 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 50 6.188 3.656 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.738 3.155 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.067 1.757 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.814 1.848 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.985 4.901 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.182 3.779 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.223 4.826 -8.383 1.00 0.00 H new ATOM 883 N GLY A 51 7.943 -0.133 -8.085 1.00 0.00 N ATOM 884 CA GLY A 51 8.792 -1.303 -7.818 1.00 0.00 C ATOM 885 C GLY A 51 8.221 -2.175 -6.704 1.00 0.00 C ATOM 886 O GLY A 51 7.498 -3.137 -6.958 1.00 0.00 O ATOM 0 H GLY A 51 6.947 -0.348 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.892 -1.895 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.793 -0.971 -7.543 1.00 0.00 H new ATOM 890 N LEU A 52 8.564 -1.821 -5.463 1.00 0.00 N ATOM 891 CA LEU A 52 8.047 -2.448 -4.237 1.00 0.00 C ATOM 892 C LEU A 52 8.210 -1.546 -3.005 1.00 0.00 C ATOM 893 O LEU A 52 7.299 -1.430 -2.189 1.00 0.00 O ATOM 894 CB LEU A 52 8.789 -3.787 -4.023 1.00 0.00 C ATOM 895 CG LEU A 52 8.281 -4.614 -2.829 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.804 -4.956 -2.981 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.063 -5.922 -2.706 1.00 0.00 C ATOM 0 H LEU A 52 9.227 -1.070 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 52 6.977 -2.616 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.699 -4.387 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.850 -3.581 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 52 8.424 -4.005 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.476 -5.540 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.222 -4.036 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.657 -5.536 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.688 -6.492 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.939 -6.507 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.120 -5.701 -2.557 1.00 0.00 H new ATOM 909 N ASN A 53 9.379 -0.908 -2.886 1.00 0.00 N ATOM 910 CA ASN A 53 9.827 -0.206 -1.676 1.00 0.00 C ATOM 911 C ASN A 53 10.039 1.310 -1.858 1.00 0.00 C ATOM 912 O ASN A 53 10.467 1.984 -0.918 1.00 0.00 O ATOM 913 CB ASN A 53 11.091 -0.914 -1.152 1.00 0.00 C ATOM 914 CG ASN A 53 10.817 -2.331 -0.677 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.165 -2.561 0.332 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.293 -3.330 -1.387 1.00 0.00 N ATOM 0 H ASN A 53 10.057 -0.864 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 53 9.026 -0.262 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.842 -0.939 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.512 -0.335 -0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.118 -4.292 -1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.837 -3.143 -2.229 1.00 0.00 H new ATOM 923 N ASN A 54 9.750 1.860 -3.045 1.00 0.00 N ATOM 924 CA ASN A 54 9.981 3.279 -3.355 1.00 0.00 C ATOM 925 C ASN A 54 8.721 4.140 -3.128 1.00 0.00 C ATOM 926 O ASN A 54 8.817 5.363 -3.002 1.00 0.00 O ATOM 927 CB ASN A 54 10.522 3.377 -4.789 1.00 0.00 C ATOM 928 CG ASN A 54 11.713 2.464 -5.031 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.758 2.579 -4.406 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.575 1.490 -5.905 1.00 0.00 N ATOM 0 H ASN A 54 9.348 1.333 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 54 10.722 3.688 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.727 3.124 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.812 4.408 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.339 0.832 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.704 1.393 -6.427 1.00 0.00 H new ATOM 937 N LEU A 55 7.548 3.499 -3.040 1.00 0.00 N ATOM 938 CA LEU A 55 6.290 4.100 -2.584 1.00 0.00 C ATOM 939 C LEU A 55 6.353 4.522 -1.108 1.00 0.00 C ATOM 940 O LEU A 55 7.186 4.019 -0.348 1.00 0.00 O ATOM 941 CB LEU A 55 5.142 3.110 -2.853 1.00 0.00 C ATOM 942 CG LEU A 55 5.146 1.808 -2.028 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.222 1.894 -0.815 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.640 0.658 -2.891 1.00 0.00 C ATOM 0 H LEU A 55 7.447 2.516 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 55 6.110 5.017 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.199 3.625 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.162 2.844 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 55 6.171 1.648 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.257 0.954 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.547 2.708 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.201 2.082 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.643 -0.263 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.625 0.873 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.290 0.540 -3.758 1.00 0.00 H new ATOM 956 N ASN A 56 5.438 5.400 -0.684 1.00 0.00 N ATOM 957 CA ASN A 56 5.227 5.711 0.726 1.00 0.00 C ATOM 958 C ASN A 56 3.875 5.177 1.226 1.00 0.00 C ATOM 959 O ASN A 56 2.965 4.854 0.460 1.00 0.00 O ATOM 960 CB ASN A 56 5.497 7.207 1.004 1.00 0.00 C ATOM 961 CG ASN A 56 4.392 8.180 0.618 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.230 7.849 0.462 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.710 9.445 0.514 1.00 0.00 N ATOM 0 H ASN A 56 4.823 5.914 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 56 5.961 5.177 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.699 7.325 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.405 7.494 0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.990 10.136 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.678 9.740 0.642 1.00 0.00 H new ATOM 970 N ALA A 57 3.765 5.088 2.544 1.00 0.00 N ATOM 971 CA ALA A 57 2.589 4.592 3.244 1.00 0.00 C ATOM 972 C ALA A 57 1.458 5.632 3.309 1.00 0.00 C ATOM 973 O ALA A 57 0.286 5.276 3.416 1.00 0.00 O ATOM 974 CB ALA A 57 3.091 4.213 4.630 1.00 0.00 C ATOM 0 H ALA A 57 4.516 5.368 3.175 1.00 0.00 H new ATOM 0 HA ALA A 57 2.145 3.744 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.262 3.828 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.861 3.446 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.510 5.093 5.118 1.00 0.00 H new ATOM 980 N THR A 58 1.809 6.915 3.225 1.00 0.00 N ATOM 981 CA THR A 58 0.899 8.063 3.305 1.00 0.00 C ATOM 982 C THR A 58 -0.096 8.080 2.141 1.00 0.00 C ATOM 983 O THR A 58 -1.300 8.197 2.355 1.00 0.00 O ATOM 984 CB THR A 58 1.731 9.360 3.335 1.00 0.00 C ATOM 985 OG1 THR A 58 2.731 9.268 4.332 1.00 0.00 O ATOM 986 CG2 THR A 58 0.898 10.600 3.639 1.00 0.00 C ATOM 0 H THR A 58 2.780 7.198 3.093 1.00 0.00 H new ATOM 0 HA THR A 58 0.312 7.982 4.220 1.00 0.00 H new ATOM 0 HB THR A 58 2.159 9.465 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.257 10.095 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.543 11.479 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.130 10.719 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.425 10.490 4.615 1.00 0.00 H new ATOM 994 N GLU A 59 0.373 7.888 0.908 1.00 0.00 N ATOM 995 CA GLU A 59 -0.458 7.834 -0.308 1.00 0.00 C ATOM 996 C GLU A 59 -1.462 6.668 -0.301 1.00 0.00 C ATOM 997 O GLU A 59 -2.621 6.846 -0.686 1.00 0.00 O ATOM 998 CB GLU A 59 0.456 7.706 -1.537 1.00 0.00 C ATOM 999 CG GLU A 59 1.167 9.006 -1.939 1.00 0.00 C ATOM 1000 CD GLU A 59 0.185 10.055 -2.495 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.025 11.134 -1.877 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.473 9.784 -3.530 1.00 0.00 O ATOM 0 H GLU A 59 1.367 7.762 0.716 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.038 8.756 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.208 6.942 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.138 7.355 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.685 9.418 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.926 8.786 -2.690 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.040 5.492 0.175 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.929 4.358 0.477 1.00 0.00 C ATOM 1011 C LEU A 60 -2.964 4.731 1.552 1.00 0.00 C ATOM 1012 O LEU A 60 -4.165 4.584 1.334 1.00 0.00 O ATOM 1013 CB LEU A 60 -1.087 3.148 0.937 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.569 2.245 -0.196 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.264 2.981 -1.239 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.299 1.136 0.400 1.00 0.00 C ATOM 0 H LEU A 60 -0.057 5.295 0.365 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.474 4.096 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.234 3.515 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.688 2.544 1.616 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.453 1.853 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.593 2.278 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.339 3.763 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.135 3.429 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.668 0.494 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.143 1.579 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.295 0.544 1.096 1.00 0.00 H new ATOM 1028 N SER A 61 -2.517 5.276 2.683 1.00 0.00 N ATOM 1029 CA SER A 61 -3.351 5.643 3.839 1.00 0.00 C ATOM 1030 C SER A 61 -4.447 6.654 3.494 1.00 0.00 C ATOM 1031 O SER A 61 -5.529 6.609 4.078 1.00 0.00 O ATOM 1032 CB SER A 61 -2.485 6.223 4.957 1.00 0.00 C ATOM 1033 OG SER A 61 -1.569 5.242 5.391 1.00 0.00 O ATOM 0 H SER A 61 -1.529 5.484 2.830 1.00 0.00 H new ATOM 0 HA SER A 61 -3.836 4.723 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.951 7.104 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.112 6.546 5.788 1.00 0.00 H new ATOM 0 HG SER A 61 -0.840 5.164 4.740 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.191 7.521 2.509 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.107 8.578 2.036 1.00 0.00 C ATOM 1041 C LYS A 62 -6.206 8.061 1.098 1.00 0.00 C ATOM 1042 O LYS A 62 -7.221 8.741 0.929 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.277 9.692 1.371 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.506 10.528 2.409 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.365 11.348 1.784 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.826 12.436 0.803 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.479 13.579 1.497 1.00 0.00 N ATOM 0 H LYS A 62 -3.309 7.510 1.997 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.638 8.973 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.573 9.249 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.936 10.343 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.199 11.202 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.096 9.865 3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.791 11.817 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.690 10.669 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.968 12.799 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.522 12.004 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.774 14.288 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.313 13.239 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.807 14.010 2.164 1.00 0.00 H new ATOM 1061 N ARG A 63 -6.029 6.870 0.508 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.985 6.228 -0.420 1.00 0.00 C ATOM 1063 C ARG A 63 -7.673 4.993 0.174 1.00 0.00 C ATOM 1064 O ARG A 63 -8.868 4.803 -0.050 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.269 5.892 -1.734 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.807 7.139 -2.499 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.155 6.731 -3.827 1.00 0.00 C ATOM 1068 NE ARG A 63 -4.606 7.894 -4.550 1.00 0.00 N ATOM 1069 CZ ARG A 63 -3.450 8.485 -4.311 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -3.004 9.450 -5.052 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -2.675 8.157 -3.326 1.00 0.00 N ATOM 0 H ARG A 63 -5.194 6.306 0.665 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.787 6.941 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.405 5.262 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.938 5.310 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.657 7.795 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.097 7.704 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.357 6.013 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.892 6.228 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.173 8.278 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.551 9.776 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.106 9.884 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.948 7.408 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.791 8.647 -3.187 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.958 4.195 0.973 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.520 3.082 1.753 1.00 0.00 C ATOM 1087 C LEU A 64 -8.197 3.552 3.056 1.00 0.00 C ATOM 1088 O LEU A 64 -9.013 2.813 3.607 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.435 2.034 2.078 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.054 1.103 0.914 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.997 1.711 -0.004 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -5.485 -0.202 1.468 1.00 0.00 C ATOM 0 H LEU A 64 -5.952 4.305 1.100 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.289 2.627 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.538 2.555 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.780 1.424 2.912 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.964 0.937 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.767 1.011 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.376 2.640 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.093 1.917 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.215 -0.861 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.599 0.012 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.234 -0.690 2.092 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.877 4.761 3.540 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.367 5.323 4.808 1.00 0.00 C ATOM 1106 C ASN A 65 -7.956 4.442 6.011 1.00 0.00 C ATOM 1107 O ASN A 65 -8.789 3.862 6.715 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.870 5.664 4.687 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.369 6.579 5.795 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.595 7.766 5.601 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.557 6.069 6.990 1.00 0.00 N ATOM 0 H ASN A 65 -7.250 5.395 3.044 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.881 6.275 5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.051 6.139 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.448 4.740 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.890 6.661 7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.370 5.080 7.158 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.641 4.337 6.216 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.977 3.554 7.275 1.00 0.00 C ATOM 1120 C ILE A 66 -4.967 4.396 8.062 1.00 0.00 C ATOM 1121 O ILE A 66 -4.563 5.489 7.659 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.286 2.274 6.724 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.448 2.566 5.464 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.310 1.154 6.529 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.717 1.374 4.847 1.00 0.00 C ATOM 0 H ILE A 66 -5.970 4.820 5.619 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.770 3.241 7.954 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.570 1.922 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.106 2.994 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.710 3.329 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.809 0.266 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.779 0.919 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.072 1.477 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.162 1.703 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.025 0.954 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.442 0.614 4.555 1.00 0.00 H new ATOM 1137 N THR A 67 -4.534 3.835 9.186 1.00 0.00 N ATOM 1138 CA THR A 67 -3.377 4.267 9.972 1.00 0.00 C ATOM 1139 C THR A 67 -2.099 4.068 9.154 1.00 0.00 C ATOM 1140 O THR A 67 -1.891 2.993 8.587 1.00 0.00 O ATOM 1141 CB THR A 67 -3.334 3.437 11.266 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.428 3.795 12.085 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.060 3.618 12.083 1.00 0.00 C ATOM 0 H THR A 67 -5.001 3.027 9.596 1.00 0.00 H new ATOM 0 HA THR A 67 -3.457 5.324 10.224 1.00 0.00 H new ATOM 0 HB THR A 67 -3.372 2.394 10.952 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.405 3.267 12.910 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.111 2.998 12.978 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.199 3.321 11.485 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.958 4.664 12.371 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.207 5.064 9.138 1.00 0.00 N ATOM 1152 CA VAL A 68 0.039 5.016 8.344 1.00 0.00 C ATOM 1153 C VAL A 68 0.925 3.838 8.751 1.00 0.00 C ATOM 1154 O VAL A 68 1.522 3.186 7.899 1.00 0.00 O ATOM 1155 CB VAL A 68 0.806 6.356 8.410 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.992 6.381 7.438 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.091 7.549 8.041 1.00 0.00 C ATOM 0 H VAL A 68 -1.322 5.926 9.671 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.247 4.857 7.304 1.00 0.00 H new ATOM 0 HB VAL A 68 1.151 6.440 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.505 7.340 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.685 5.578 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.630 6.244 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.487 8.471 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.467 7.421 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.930 7.602 8.735 1.00 0.00 H new ATOM 1167 N ASP A 69 0.935 3.472 10.032 1.00 0.00 N ATOM 1168 CA ASP A 69 1.698 2.322 10.527 1.00 0.00 C ATOM 1169 C ASP A 69 1.149 0.963 10.059 1.00 0.00 C ATOM 1170 O ASP A 69 1.936 0.039 9.833 1.00 0.00 O ATOM 1171 CB ASP A 69 1.815 2.406 12.055 1.00 0.00 C ATOM 1172 CG ASP A 69 2.789 1.357 12.617 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.015 1.492 12.391 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.333 0.417 13.313 1.00 0.00 O ATOM 0 H ASP A 69 0.414 3.964 10.758 1.00 0.00 H new ATOM 0 HA ASP A 69 2.694 2.377 10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.153 3.403 12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.831 2.264 12.502 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.165 0.849 9.800 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.723 -0.349 9.157 1.00 0.00 C ATOM 1181 C LYS A 70 -0.279 -0.454 7.706 1.00 0.00 C ATOM 1182 O LYS A 70 0.026 -1.558 7.270 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.257 -0.393 9.246 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.769 -0.808 10.633 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.281 -1.074 10.569 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.791 -1.705 11.869 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.162 -2.247 11.693 1.00 0.00 N ATOM 0 H LYS A 70 -0.854 1.567 10.025 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.333 -1.207 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.658 0.590 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.638 -1.091 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.247 -1.703 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.559 -0.023 11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.809 -0.139 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.501 -1.735 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.117 -2.504 12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.790 -0.960 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.486 -2.669 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.807 -1.478 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.155 -2.974 10.949 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.169 0.663 6.988 1.00 0.00 N ATOM 1202 CA ALA A 71 0.320 0.676 5.608 1.00 0.00 C ATOM 1203 C ALA A 71 1.819 0.322 5.565 1.00 0.00 C ATOM 1204 O ALA A 71 2.204 -0.614 4.862 1.00 0.00 O ATOM 1205 CB ALA A 71 -0.012 2.040 4.976 1.00 0.00 C ATOM 0 H ALA A 71 -0.416 1.586 7.346 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.180 -0.088 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.348 2.062 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.091 2.193 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.472 2.833 5.546 1.00 0.00 H new ATOM 1211 N LYS A 72 2.640 0.973 6.403 1.00 0.00 N ATOM 1212 CA LYS A 72 4.095 0.731 6.529 1.00 0.00 C ATOM 1213 C LYS A 72 4.426 -0.740 6.784 1.00 0.00 C ATOM 1214 O LYS A 72 5.363 -1.264 6.180 1.00 0.00 O ATOM 1215 CB LYS A 72 4.683 1.571 7.683 1.00 0.00 C ATOM 1216 CG LYS A 72 4.797 3.072 7.376 1.00 0.00 C ATOM 1217 CD LYS A 72 5.127 3.935 8.606 1.00 0.00 C ATOM 1218 CE LYS A 72 6.430 3.566 9.329 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.636 3.889 8.521 1.00 0.00 N ATOM 0 H LYS A 72 2.306 1.704 7.031 1.00 0.00 H new ATOM 0 HA LYS A 72 4.538 1.023 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.060 1.439 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.672 1.186 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.569 3.221 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.858 3.417 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.185 4.978 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.302 3.860 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.479 4.098 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.425 2.501 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.490 3.622 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.605 3.362 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.657 4.909 8.321 1.00 0.00 H new ATOM 1233 N THR A 73 3.669 -1.414 7.657 1.00 0.00 N ATOM 1234 CA THR A 73 3.943 -2.820 8.000 1.00 0.00 C ATOM 1235 C THR A 73 3.259 -3.813 7.055 1.00 0.00 C ATOM 1236 O THR A 73 3.831 -4.861 6.756 1.00 0.00 O ATOM 1237 CB THR A 73 3.646 -3.095 9.481 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.421 -4.191 9.909 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.182 -3.417 9.767 1.00 0.00 C ATOM 0 H THR A 73 2.864 -1.013 8.139 1.00 0.00 H new ATOM 0 HA THR A 73 5.010 -2.984 7.852 1.00 0.00 H new ATOM 0 HB THR A 73 3.890 -2.178 10.017 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.238 -4.372 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.051 -3.599 10.834 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.558 -2.576 9.463 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.889 -4.306 9.208 1.00 0.00 H new ATOM 1247 N TYR A 74 2.075 -3.493 6.520 1.00 0.00 N ATOM 1248 CA TYR A 74 1.359 -4.358 5.573 1.00 0.00 C ATOM 1249 C TYR A 74 2.145 -4.572 4.275 1.00 0.00 C ATOM 1250 O TYR A 74 2.197 -5.699 3.785 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.020 -3.762 5.269 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.739 -4.441 4.128 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.968 -3.724 2.940 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.103 -5.799 4.218 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.547 -4.368 1.836 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.664 -6.451 3.104 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.870 -5.742 1.901 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.356 -6.394 0.811 1.00 0.00 O ATOM 0 H TYR A 74 1.584 -2.624 6.732 1.00 0.00 H new ATOM 0 HA TYR A 74 1.242 -5.336 6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.638 -3.825 6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.095 -2.704 5.035 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.699 -2.680 2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.952 -6.339 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.747 -3.811 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.937 -7.494 3.170 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.521 -7.333 1.038 1.00 0.00 H new ATOM 1268 N ILE A 75 2.815 -3.528 3.770 1.00 0.00 N ATOM 1269 CA ILE A 75 3.731 -3.589 2.620 1.00 0.00 C ATOM 1270 C ILE A 75 4.712 -4.769 2.793 1.00 0.00 C ATOM 1271 O ILE A 75 4.632 -5.770 2.080 1.00 0.00 O ATOM 1272 CB ILE A 75 4.437 -2.214 2.469 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.464 -1.120 1.970 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.646 -2.269 1.520 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.946 0.304 2.302 1.00 0.00 C ATOM 0 H ILE A 75 2.733 -2.589 4.161 1.00 0.00 H new ATOM 0 HA ILE A 75 3.188 -3.778 1.694 1.00 0.00 H new ATOM 0 HB ILE A 75 4.790 -1.960 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.341 -1.215 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.483 -1.280 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.101 -1.281 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.378 -2.980 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.317 -2.586 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.223 1.029 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.043 0.413 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.913 0.480 1.831 1.00 0.00 H new ATOM 1287 N LYS A 76 5.585 -4.709 3.803 1.00 0.00 N ATOM 1288 CA LYS A 76 6.589 -5.751 4.080 1.00 0.00 C ATOM 1289 C LYS A 76 6.010 -7.092 4.552 1.00 0.00 C ATOM 1290 O LYS A 76 6.603 -8.126 4.270 1.00 0.00 O ATOM 1291 CB LYS A 76 7.671 -5.200 5.028 1.00 0.00 C ATOM 1292 CG LYS A 76 7.160 -4.930 6.454 1.00 0.00 C ATOM 1293 CD LYS A 76 8.214 -4.282 7.361 1.00 0.00 C ATOM 1294 CE LYS A 76 8.403 -2.797 7.023 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.455 -2.175 7.870 1.00 0.00 N ATOM 0 H LYS A 76 5.618 -3.930 4.460 1.00 0.00 H new ATOM 0 HA LYS A 76 7.052 -6.000 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.497 -5.910 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.070 -4.275 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.286 -4.281 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.834 -5.870 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.912 -4.384 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.163 -4.806 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.672 -2.693 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.461 -2.268 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.557 -1.172 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.185 -2.253 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.359 -2.665 7.716 1.00 0.00 H new ATOM 1309 N ASN A 77 4.853 -7.123 5.217 1.00 0.00 N ATOM 1310 CA ASN A 77 4.237 -8.387 5.658 1.00 0.00 C ATOM 1311 C ASN A 77 3.530 -9.146 4.519 1.00 0.00 C ATOM 1312 O ASN A 77 3.482 -10.378 4.541 1.00 0.00 O ATOM 1313 CB ASN A 77 3.310 -8.147 6.862 1.00 0.00 C ATOM 1314 CG ASN A 77 4.095 -8.096 8.163 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.221 -9.080 8.878 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.677 -6.970 8.495 1.00 0.00 N ATOM 0 H ASN A 77 4.320 -6.289 5.464 1.00 0.00 H new ATOM 0 HA ASN A 77 5.046 -9.042 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.768 -7.211 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.566 -8.942 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.234 -6.916 9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.574 -6.148 7.900 1.00 0.00 H new ATOM 1420 N THR A 84 8.860 -14.370 -1.850 1.00 0.00 N ATOM 1421 CA THR A 84 8.856 -15.062 -0.537 1.00 0.00 C ATOM 1422 C THR A 84 10.183 -15.780 -0.227 1.00 0.00 C ATOM 1423 O THR A 84 10.205 -16.863 0.357 1.00 0.00 O ATOM 1424 CB THR A 84 7.613 -15.972 -0.386 1.00 0.00 C ATOM 1425 OG1 THR A 84 6.486 -15.388 -1.017 1.00 0.00 O ATOM 1426 CG2 THR A 84 7.201 -16.177 1.074 1.00 0.00 C ATOM 0 HA THR A 84 8.776 -14.292 0.230 1.00 0.00 H new ATOM 0 HB THR A 84 7.900 -16.922 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.786 -14.787 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.324 -16.823 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.021 -16.641 1.622 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.964 -15.213 1.524 1.00 0.00 H new ATOM 1434 N ASN A 85 11.298 -15.207 -0.708 1.00 0.00 N ATOM 1435 CA ASN A 85 12.654 -15.786 -0.718 1.00 0.00 C ATOM 1436 C ASN A 85 12.761 -17.259 -1.197 1.00 0.00 C ATOM 1437 O ASN A 85 13.686 -17.974 -0.805 1.00 0.00 O ATOM 1438 CB ASN A 85 13.379 -15.463 0.608 1.00 0.00 C ATOM 1439 CG ASN A 85 12.831 -16.177 1.837 1.00 0.00 C ATOM 1440 OD1 ASN A 85 12.178 -15.590 2.689 1.00 0.00 O ATOM 1441 ND2 ASN A 85 13.100 -17.455 1.983 1.00 0.00 N ATOM 0 H ASN A 85 11.278 -14.276 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 85 13.202 -15.287 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.433 -15.718 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.328 -14.388 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.764 -17.956 2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.644 -17.946 1.274 1.00 0.00 H new ATOM 1448 N ASN A 86 11.831 -17.726 -2.042 1.00 0.00 N ATOM 1449 CA ASN A 86 11.741 -19.122 -2.502 1.00 0.00 C ATOM 1450 C ASN A 86 12.352 -19.368 -3.903 1.00 0.00 C ATOM 1451 O ASN A 86 12.521 -20.515 -4.317 1.00 0.00 O ATOM 1452 CB ASN A 86 10.286 -19.621 -2.346 1.00 0.00 C ATOM 1453 CG ASN A 86 9.505 -19.700 -3.649 1.00 0.00 C ATOM 1454 OD1 ASN A 86 9.151 -20.765 -4.131 1.00 0.00 O ATOM 1455 ND2 ASN A 86 9.221 -18.578 -4.265 1.00 0.00 N ATOM 0 H ASN A 86 11.102 -17.130 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 86 12.376 -19.732 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.301 -20.609 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.759 -18.958 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.705 -18.596 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.516 -17.687 -3.864 1.00 0.00 H new ATOM 1462 N PHE A 87 12.735 -18.306 -4.619 1.00 0.00 N ATOM 1463 CA PHE A 87 13.228 -18.318 -6.012 1.00 0.00 C ATOM 1464 C PHE A 87 14.661 -18.889 -6.198 1.00 0.00 C ATOM 1465 O PHE A 87 15.299 -18.701 -7.234 1.00 0.00 O ATOM 1466 CB PHE A 87 13.067 -16.902 -6.594 1.00 0.00 C ATOM 1467 CG PHE A 87 14.134 -15.909 -6.166 1.00 0.00 C ATOM 1468 CD1 PHE A 87 15.194 -15.601 -7.042 1.00 0.00 C ATOM 1469 CD2 PHE A 87 14.092 -15.313 -4.890 1.00 0.00 C ATOM 1470 CE1 PHE A 87 16.219 -14.729 -6.635 1.00 0.00 C ATOM 1471 CE2 PHE A 87 15.119 -14.444 -4.480 1.00 0.00 C ATOM 1472 CZ PHE A 87 16.185 -14.154 -5.352 1.00 0.00 C ATOM 0 H PHE A 87 12.711 -17.364 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 87 12.617 -19.025 -6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.070 -16.970 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.092 -16.513 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.219 -16.037 -8.030 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.268 -15.524 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.033 -14.501 -7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.090 -13.999 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.976 -13.490 -5.036 1.00 0.00 H new ATOM 1482 N LYS A 88 15.171 -19.591 -5.180 1.00 0.00 N ATOM 1483 CA LYS A 88 16.561 -20.052 -4.998 1.00 0.00 C ATOM 1484 C LYS A 88 16.863 -21.430 -5.597 1.00 0.00 C ATOM 1485 O LYS A 88 18.008 -21.883 -5.575 1.00 0.00 O ATOM 1486 CB LYS A 88 16.869 -20.012 -3.491 1.00 0.00 C ATOM 1487 CG LYS A 88 15.978 -20.950 -2.651 1.00 0.00 C ATOM 1488 CD LYS A 88 15.964 -20.550 -1.170 1.00 0.00 C ATOM 1489 CE LYS A 88 14.794 -21.214 -0.430 1.00 0.00 C ATOM 1490 NZ LYS A 88 15.024 -22.667 -0.203 1.00 0.00 N ATOM 0 H LYS A 88 14.581 -19.876 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 88 17.214 -19.380 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 88 17.914 -20.282 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.747 -18.990 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.961 -20.931 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.337 -21.975 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.905 -20.840 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.885 -19.466 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.644 -20.718 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.878 -21.078 -1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.209 -23.073 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.141 -23.147 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.883 -22.797 0.369 1.00 0.00 H new ATOM 1504 N THR A 89 15.824 -22.083 -6.108 1.00 0.00 N ATOM 1505 CA THR A 89 15.818 -23.474 -6.571 1.00 0.00 C ATOM 1506 C THR A 89 15.030 -23.586 -7.877 1.00 0.00 C ATOM 1507 O THR A 89 15.537 -24.098 -8.875 1.00 0.00 O ATOM 1508 CB THR A 89 15.194 -24.354 -5.476 1.00 0.00 C ATOM 1509 OG1 THR A 89 15.965 -24.296 -4.295 1.00 0.00 O ATOM 1510 CG2 THR A 89 15.108 -25.813 -5.888 1.00 0.00 C ATOM 0 H THR A 89 14.914 -21.636 -6.218 1.00 0.00 H new ATOM 0 HA THR A 89 16.837 -23.811 -6.765 1.00 0.00 H new ATOM 0 HB THR A 89 14.189 -23.964 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.553 -24.860 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.660 -26.393 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.493 -25.903 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 89 16.109 -26.192 -6.096 1.00 0.00 H new ATOM 1518 N ILE A 90 13.810 -23.039 -7.892 1.00 0.00 N ATOM 1519 CA ILE A 90 12.968 -22.898 -9.089 1.00 0.00 C ATOM 1520 C ILE A 90 13.562 -21.908 -10.107 1.00 0.00 C ATOM 1521 O ILE A 90 14.465 -21.137 -9.777 1.00 0.00 O ATOM 1522 CB ILE A 90 11.527 -22.524 -8.691 1.00 0.00 C ATOM 1523 CG1 ILE A 90 11.459 -21.225 -7.860 1.00 0.00 C ATOM 1524 CG2 ILE A 90 10.865 -23.712 -7.978 1.00 0.00 C ATOM 1525 CD1 ILE A 90 10.026 -20.729 -7.660 1.00 0.00 C ATOM 0 H ILE A 90 13.367 -22.671 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 90 12.939 -23.865 -9.592 1.00 0.00 H new ATOM 0 HB ILE A 90 10.965 -22.310 -9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.919 -21.396 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.042 -20.449 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.846 -23.446 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.844 -24.572 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.434 -23.962 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.037 -19.813 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.571 -20.529 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.447 -21.491 -7.138 1.00 0.00 H new ATOM 1537 N LYS A 91 13.053 -21.931 -11.348 1.00 0.00 N ATOM 1538 CA LYS A 91 13.444 -21.079 -12.501 1.00 0.00 C ATOM 1539 C LYS A 91 14.895 -21.248 -13.008 1.00 0.00 C ATOM 1540 O LYS A 91 15.228 -20.704 -14.062 1.00 0.00 O ATOM 1541 CB LYS A 91 13.096 -19.593 -12.217 1.00 0.00 C ATOM 1542 CG LYS A 91 11.637 -19.140 -12.422 1.00 0.00 C ATOM 1543 CD LYS A 91 10.541 -19.892 -11.650 1.00 0.00 C ATOM 1544 CE LYS A 91 10.017 -21.155 -12.356 1.00 0.00 C ATOM 1545 NZ LYS A 91 9.239 -20.849 -13.587 1.00 0.00 N ATOM 0 H LYS A 91 12.310 -22.583 -11.598 1.00 0.00 H new ATOM 0 HA LYS A 91 12.846 -21.443 -13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.371 -19.377 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.730 -18.974 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.572 -18.085 -12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.409 -19.214 -13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.931 -20.173 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.705 -19.214 -11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.859 -21.797 -12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.388 -21.717 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.771 -21.714 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.521 -20.127 -13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.881 -20.492 -14.323 1.00 0.00 H new ATOM 1559 N MET A 92 15.755 -22.013 -12.325 1.00 0.00 N ATOM 1560 CA MET A 92 17.162 -22.216 -12.717 1.00 0.00 C ATOM 1561 C MET A 92 17.382 -23.463 -13.592 1.00 0.00 C ATOM 1562 O MET A 92 18.106 -23.385 -14.586 1.00 0.00 O ATOM 1563 CB MET A 92 18.067 -22.280 -11.478 1.00 0.00 C ATOM 1564 CG MET A 92 18.034 -20.993 -10.646 1.00 0.00 C ATOM 1565 SD MET A 92 19.413 -20.804 -9.476 1.00 0.00 S ATOM 1566 CE MET A 92 19.271 -22.348 -8.538 1.00 0.00 C ATOM 0 H MET A 92 15.495 -22.515 -11.476 1.00 0.00 H new ATOM 0 HA MET A 92 17.430 -21.353 -13.326 1.00 0.00 H new ATOM 0 HB2 MET A 92 17.759 -23.118 -10.853 1.00 0.00 H new ATOM 0 HB3 MET A 92 19.092 -22.476 -11.793 1.00 0.00 H new ATOM 0 HG2 MET A 92 18.032 -20.139 -11.324 1.00 0.00 H new ATOM 0 HG3 MET A 92 17.097 -20.961 -10.090 1.00 0.00 H new ATOM 0 HE1 MET A 92 19.955 -22.323 -7.690 1.00 0.00 H new ATOM 0 HE2 MET A 92 18.249 -22.462 -8.177 1.00 0.00 H new ATOM 0 HE3 MET A 92 19.524 -23.190 -9.183 1.00 0.00 H new ATOM 1576 N PHE A 93 16.764 -24.599 -13.238 1.00 0.00 N ATOM 1577 CA PHE A 93 16.932 -25.889 -13.938 1.00 0.00 C ATOM 1578 C PHE A 93 15.690 -26.347 -14.730 1.00 0.00 C ATOM 1579 O PHE A 93 15.740 -27.343 -15.455 1.00 0.00 O ATOM 1580 CB PHE A 93 17.412 -26.956 -12.938 1.00 0.00 C ATOM 1581 CG PHE A 93 16.366 -27.447 -11.951 1.00 0.00 C ATOM 1582 CD1 PHE A 93 15.550 -28.551 -12.276 1.00 0.00 C ATOM 1583 CD2 PHE A 93 16.222 -26.825 -10.697 1.00 0.00 C ATOM 1584 CE1 PHE A 93 14.594 -29.021 -11.359 1.00 0.00 C ATOM 1585 CE2 PHE A 93 15.267 -27.299 -9.778 1.00 0.00 C ATOM 1586 CZ PHE A 93 14.451 -28.395 -10.108 1.00 0.00 C ATOM 0 H PHE A 93 16.123 -24.652 -12.446 1.00 0.00 H new ATOM 0 HA PHE A 93 17.694 -25.742 -14.704 1.00 0.00 H new ATOM 0 HB2 PHE A 93 17.787 -27.812 -13.499 1.00 0.00 H new ATOM 0 HB3 PHE A 93 18.253 -26.550 -12.377 1.00 0.00 H new ATOM 0 HD1 PHE A 93 15.660 -29.037 -13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 93 16.846 -25.982 -10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.969 -29.864 -11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.161 -26.819 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 93 13.716 -28.755 -9.403 1.00 0.00 H new ATOM 1596 N GLU A 94 14.575 -25.624 -14.610 1.00 0.00 N ATOM 1597 CA GLU A 94 13.320 -25.881 -15.332 1.00 0.00 C ATOM 1598 C GLU A 94 13.386 -25.420 -16.802 1.00 0.00 C ATOM 1599 O GLU A 94 14.199 -24.567 -17.173 1.00 0.00 O ATOM 1600 CB GLU A 94 12.158 -25.186 -14.603 1.00 0.00 C ATOM 1601 CG GLU A 94 11.882 -25.789 -13.220 1.00 0.00 C ATOM 1602 CD GLU A 94 10.810 -24.972 -12.484 1.00 0.00 C ATOM 1603 OE1 GLU A 94 9.603 -25.300 -12.589 1.00 0.00 O ATOM 1604 OE2 GLU A 94 11.180 -23.983 -11.809 1.00 0.00 O ATOM 0 H GLU A 94 14.515 -24.817 -13.989 1.00 0.00 H new ATOM 0 HA GLU A 94 13.156 -26.959 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.385 -24.126 -14.494 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.257 -25.258 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.552 -26.822 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.801 -25.807 -12.634 1.00 0.00 H new