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= 1.04 K(o=1,f=0.2) USER MOD Set 2.1: A 36 SER OG : rot -27:sc= 0.607 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.826 K(o=1.4,f=-7.6!) USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 0.465 (180deg=0) 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=-0.12) USER MOD Single : A 54 ASN : amide:sc= 1 K(o=1,f=-0.0029) USER MOD Single : A 56 ASN : amide:sc= 0.113 K(o=0.11,f=-7.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -11:sc= 0.398 USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,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 23:sc= 0.349 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= 0.43 K(o=0.43,f=-0.35) 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+ 167:sc= 0 (180deg=-0.207) USER MOD Single : A 92 MET CE :methyl 180:sc= -0.194 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -7.915 -6.472 2.420 1.00 0.00 N ATOM 624 CA LEU A 35 -8.043 -6.190 1.000 1.00 0.00 C ATOM 625 C LEU A 35 -9.260 -6.945 0.466 1.00 0.00 C ATOM 626 O LEU A 35 -9.272 -8.177 0.418 1.00 0.00 O ATOM 627 CB LEU A 35 -6.748 -6.622 0.280 1.00 0.00 C ATOM 628 CG LEU A 35 -5.715 -5.499 0.108 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.253 -4.840 1.410 1.00 0.00 C ATOM 630 CD2 LEU A 35 -4.510 -6.032 -0.659 1.00 0.00 C ATOM 0 HA LEU A 35 -8.187 -5.124 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.290 -7.438 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.007 -7.015 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.223 -4.711 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.525 -4.061 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.110 -4.400 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.794 -5.590 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.776 -5.236 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.062 -6.857 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.830 -6.385 -1.639 1.00 0.00 H new ATOM 642 N SER A 36 -10.266 -6.187 0.046 1.00 0.00 N ATOM 643 CA SER A 36 -11.454 -6.697 -0.648 1.00 0.00 C ATOM 644 C SER A 36 -11.341 -6.538 -2.155 1.00 0.00 C ATOM 645 O SER A 36 -11.150 -7.524 -2.869 1.00 0.00 O ATOM 646 CB SER A 36 -12.770 -6.177 -0.045 1.00 0.00 C ATOM 647 OG SER A 36 -12.930 -4.774 -0.180 1.00 0.00 O ATOM 0 H SER A 36 -10.284 -5.176 0.179 1.00 0.00 H new ATOM 0 HA SER A 36 -11.493 -7.773 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.608 -6.680 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.807 -6.440 1.012 1.00 0.00 H new ATOM 0 HG SER A 36 -12.049 -4.347 -0.221 1.00 0.00 H new ATOM 653 N GLU A 37 -11.426 -5.308 -2.648 1.00 0.00 N ATOM 654 CA GLU A 37 -11.540 -5.047 -4.087 1.00 0.00 C ATOM 655 C GLU A 37 -11.142 -3.633 -4.501 1.00 0.00 C ATOM 656 O GLU A 37 -10.631 -3.438 -5.601 1.00 0.00 O ATOM 657 CB GLU A 37 -12.984 -5.377 -4.511 1.00 0.00 C ATOM 658 CG GLU A 37 -14.045 -4.346 -4.101 1.00 0.00 C ATOM 659 CD GLU A 37 -15.455 -4.834 -4.483 1.00 0.00 C ATOM 660 OE1 GLU A 37 -15.889 -4.602 -5.638 1.00 0.00 O ATOM 661 OE2 GLU A 37 -16.146 -5.450 -3.634 1.00 0.00 O ATOM 0 H GLU A 37 -11.418 -4.467 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.825 -5.685 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.010 -5.487 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.257 -6.343 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.994 -4.172 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.840 -3.393 -4.588 1.00 0.00 H new ATOM 668 N GLU A 38 -11.310 -2.654 -3.616 1.00 0.00 N ATOM 669 CA GLU A 38 -10.843 -1.286 -3.838 1.00 0.00 C ATOM 670 C GLU A 38 -9.374 -1.137 -3.408 1.00 0.00 C ATOM 671 O GLU A 38 -8.627 -0.346 -3.979 1.00 0.00 O ATOM 672 CB GLU A 38 -11.777 -0.337 -3.068 1.00 0.00 C ATOM 673 CG GLU A 38 -11.628 1.137 -3.454 1.00 0.00 C ATOM 674 CD GLU A 38 -12.200 1.429 -4.856 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.419 1.710 -4.971 1.00 0.00 O ATOM 676 OE2 GLU A 38 -11.441 1.384 -5.853 1.00 0.00 O ATOM 0 H GLU A 38 -11.777 -2.787 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.876 -1.034 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.809 -0.643 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.585 -0.443 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.139 1.758 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.574 1.414 -3.428 1.00 0.00 H new ATOM 683 N GLN A 39 -8.926 -1.931 -2.428 1.00 0.00 N ATOM 684 CA GLN A 39 -7.644 -1.725 -1.742 1.00 0.00 C ATOM 685 C GLN A 39 -6.472 -2.217 -2.596 1.00 0.00 C ATOM 686 O GLN A 39 -5.449 -1.544 -2.719 1.00 0.00 O ATOM 687 CB GLN A 39 -7.677 -2.421 -0.371 1.00 0.00 C ATOM 688 CG GLN A 39 -8.764 -1.894 0.581 1.00 0.00 C ATOM 689 CD GLN A 39 -10.165 -2.356 0.204 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.361 -3.363 -0.464 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.183 -1.606 0.536 1.00 0.00 N ATOM 0 H GLN A 39 -9.446 -2.739 -2.086 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.493 -0.657 -1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.830 -3.489 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.704 -2.303 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.540 -2.223 1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.737 -0.804 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.036 -0.764 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.124 -1.863 0.239 1.00 0.00 H new ATOM 700 N LYS A 40 -6.653 -3.350 -3.283 1.00 0.00 N ATOM 701 CA LYS A 40 -5.699 -3.863 -4.281 1.00 0.00 C ATOM 702 C LYS A 40 -5.632 -2.985 -5.537 1.00 0.00 C ATOM 703 O LYS A 40 -4.548 -2.825 -6.094 1.00 0.00 O ATOM 704 CB LYS A 40 -6.006 -5.340 -4.577 1.00 0.00 C ATOM 705 CG LYS A 40 -7.365 -5.538 -5.274 1.00 0.00 C ATOM 706 CD LYS A 40 -7.861 -6.995 -5.266 1.00 0.00 C ATOM 707 CE LYS A 40 -8.047 -7.566 -3.846 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.728 -8.886 -3.875 1.00 0.00 N ATOM 0 H LYS A 40 -7.473 -3.945 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.693 -3.813 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.217 -5.752 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.996 -5.903 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.109 -4.908 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.287 -5.196 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.809 -7.052 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.150 -7.617 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.075 -7.667 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.630 -6.868 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.710 -8.777 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.725 -9.257 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.227 -9.549 -3.250 1.00 0.00 H new ATOM 722 N LYS A 41 -6.731 -2.308 -5.906 1.00 0.00 N ATOM 723 CA LYS A 41 -6.736 -1.238 -6.934 1.00 0.00 C ATOM 724 C LYS A 41 -5.927 0.011 -6.550 1.00 0.00 C ATOM 725 O LYS A 41 -5.705 0.870 -7.403 1.00 0.00 O ATOM 726 CB LYS A 41 -8.173 -0.861 -7.340 1.00 0.00 C ATOM 727 CG LYS A 41 -8.897 -2.017 -8.036 1.00 0.00 C ATOM 728 CD LYS A 41 -10.335 -1.617 -8.393 1.00 0.00 C ATOM 729 CE LYS A 41 -11.071 -2.801 -9.028 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.460 -2.436 -9.411 1.00 0.00 N ATOM 0 H LYS A 41 -7.650 -2.484 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.224 -1.665 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.734 -0.564 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.147 0.002 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.357 -2.300 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.908 -2.891 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.862 -1.290 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.325 -0.773 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.526 -3.139 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.093 -3.636 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.930 -3.260 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.986 -2.137 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.437 -1.656 -10.098 1.00 0.00 H new ATOM 744 N ILE A 42 -5.440 0.092 -5.308 1.00 0.00 N ATOM 745 CA ILE A 42 -4.441 1.070 -4.858 1.00 0.00 C ATOM 746 C ILE A 42 -3.069 0.393 -4.739 1.00 0.00 C ATOM 747 O ILE A 42 -2.139 0.818 -5.415 1.00 0.00 O ATOM 748 CB ILE A 42 -4.919 1.756 -3.561 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.218 2.554 -3.827 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.865 2.694 -2.945 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.213 2.367 -2.685 1.00 0.00 C ATOM 0 H ILE A 42 -5.738 -0.540 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.326 1.866 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.101 0.957 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.983 3.612 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.667 2.225 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.265 3.144 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.968 2.124 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.615 3.479 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.118 2.937 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.463 1.310 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.769 2.720 -1.754 1.00 0.00 H new ATOM 763 N VAL A 43 -2.925 -0.685 -3.956 1.00 0.00 N ATOM 764 CA VAL A 43 -1.610 -1.302 -3.673 1.00 0.00 C ATOM 765 C VAL A 43 -0.984 -1.928 -4.922 1.00 0.00 C ATOM 766 O VAL A 43 0.133 -1.572 -5.293 1.00 0.00 O ATOM 767 CB VAL A 43 -1.696 -2.355 -2.550 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.324 -2.973 -2.240 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.229 -1.762 -1.241 1.00 0.00 C ATOM 0 H VAL A 43 -3.707 -1.155 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.965 -0.490 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.381 -3.116 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.428 -3.710 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.067 -3.458 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.364 -2.190 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.272 -2.541 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.566 -0.964 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.228 -1.359 -1.405 1.00 0.00 H new ATOM 779 N ALA A 44 -1.689 -2.845 -5.593 1.00 0.00 N ATOM 780 CA ALA A 44 -1.143 -3.561 -6.749 1.00 0.00 C ATOM 781 C ALA A 44 -0.941 -2.615 -7.947 1.00 0.00 C ATOM 782 O ALA A 44 0.061 -2.712 -8.656 1.00 0.00 O ATOM 783 CB ALA A 44 -2.050 -4.748 -7.091 1.00 0.00 C ATOM 0 H ALA A 44 -2.644 -3.109 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.156 -3.950 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.644 -5.280 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.102 -5.424 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.050 -4.385 -7.328 1.00 0.00 H new ATOM 789 N ASP A 45 -1.844 -1.645 -8.117 1.00 0.00 N ATOM 790 CA ASP A 45 -1.678 -0.552 -9.085 1.00 0.00 C ATOM 791 C ASP A 45 -0.420 0.303 -8.821 1.00 0.00 C ATOM 792 O ASP A 45 0.323 0.598 -9.755 1.00 0.00 O ATOM 793 CB ASP A 45 -2.942 0.315 -9.078 1.00 0.00 C ATOM 794 CG ASP A 45 -2.897 1.394 -10.172 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.128 1.056 -11.359 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.646 2.580 -9.852 1.00 0.00 O ATOM 0 H ASP A 45 -2.714 -1.594 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.533 -0.996 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.818 -0.317 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.052 0.790 -8.103 1.00 0.00 H new ATOM 801 N TYR A 46 -0.128 0.647 -7.560 1.00 0.00 N ATOM 802 CA TYR A 46 1.053 1.425 -7.167 1.00 0.00 C ATOM 803 C TYR A 46 2.357 0.628 -7.350 1.00 0.00 C ATOM 804 O TYR A 46 3.377 1.156 -7.796 1.00 0.00 O ATOM 805 CB TYR A 46 0.862 1.867 -5.706 1.00 0.00 C ATOM 806 CG TYR A 46 1.695 3.017 -5.176 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.429 3.482 -3.877 1.00 0.00 C ATOM 808 CD2 TYR A 46 2.664 3.667 -5.957 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.066 4.639 -3.388 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.346 4.786 -5.459 1.00 0.00 C ATOM 811 CZ TYR A 46 3.023 5.306 -4.187 1.00 0.00 C ATOM 812 OH TYR A 46 3.684 6.398 -3.710 1.00 0.00 O ATOM 0 H TYR A 46 -0.718 0.387 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 46 1.147 2.298 -7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.187 2.132 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.053 1.001 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.731 2.948 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.886 3.302 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.824 5.016 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.121 5.252 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 46 4.305 6.728 -4.392 1.00 0.00 H new ATOM 822 N ILE A 47 2.320 -0.679 -7.094 1.00 0.00 N ATOM 823 CA ILE A 47 3.447 -1.585 -7.343 1.00 0.00 C ATOM 824 C ILE A 47 3.861 -1.572 -8.825 1.00 0.00 C ATOM 825 O ILE A 47 5.056 -1.566 -9.125 1.00 0.00 O ATOM 826 CB ILE A 47 3.065 -2.988 -6.789 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.635 -3.243 -5.380 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.492 -4.164 -7.679 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.336 -2.154 -4.344 1.00 0.00 C ATOM 0 H ILE A 47 1.501 -1.146 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 47 4.342 -1.253 -6.817 1.00 0.00 H new ATOM 0 HB ILE A 47 1.976 -2.952 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.239 -4.190 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.716 -3.359 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.185 -5.101 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.019 -4.071 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.575 -4.156 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.781 -2.430 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.757 -1.207 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.257 -2.050 -4.226 1.00 0.00 H new ATOM 841 N SER A 48 2.905 -1.440 -9.751 1.00 0.00 N ATOM 842 CA SER A 48 3.183 -1.279 -11.187 1.00 0.00 C ATOM 843 C SER A 48 3.797 0.083 -11.567 1.00 0.00 C ATOM 844 O SER A 48 4.301 0.217 -12.685 1.00 0.00 O ATOM 845 CB SER A 48 1.914 -1.524 -12.012 1.00 0.00 C ATOM 846 OG SER A 48 1.451 -2.856 -11.836 1.00 0.00 O ATOM 0 H SER A 48 1.910 -1.442 -9.526 1.00 0.00 H new ATOM 0 HA SER A 48 3.938 -2.029 -11.421 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.137 -0.821 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.119 -1.341 -13.067 1.00 0.00 H new ATOM 0 HG SER A 48 0.640 -2.993 -12.368 1.00 0.00 H new ATOM 852 N GLU A 49 3.808 1.088 -10.679 1.00 0.00 N ATOM 853 CA GLU A 49 4.406 2.404 -10.945 1.00 0.00 C ATOM 854 C GLU A 49 5.873 2.473 -10.504 1.00 0.00 C ATOM 855 O GLU A 49 6.710 3.018 -11.227 1.00 0.00 O ATOM 856 CB GLU A 49 3.613 3.503 -10.216 1.00 0.00 C ATOM 857 CG GLU A 49 2.150 3.598 -10.638 1.00 0.00 C ATOM 858 CD GLU A 49 1.990 4.073 -12.096 1.00 0.00 C ATOM 859 OE1 GLU A 49 2.095 5.297 -12.351 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.758 3.234 -13.000 1.00 0.00 O ATOM 0 H GLU A 49 3.398 1.009 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 49 4.367 2.560 -12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.659 3.319 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.095 4.464 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.677 2.623 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.627 4.287 -9.975 1.00 0.00 H new ATOM 867 N VAL A 50 6.175 1.940 -9.311 1.00 0.00 N ATOM 868 CA VAL A 50 7.455 2.193 -8.609 1.00 0.00 C ATOM 869 C VAL A 50 8.192 0.949 -8.108 1.00 0.00 C ATOM 870 O VAL A 50 9.349 1.057 -7.711 1.00 0.00 O ATOM 871 CB VAL A 50 7.306 3.225 -7.460 1.00 0.00 C ATOM 872 CG1 VAL A 50 8.356 4.334 -7.602 1.00 0.00 C ATOM 873 CG2 VAL A 50 5.942 3.876 -7.346 1.00 0.00 C ATOM 0 H VAL A 50 5.544 1.322 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 50 8.086 2.613 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 50 7.449 2.641 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.240 5.051 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.354 3.898 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.221 4.843 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.943 4.579 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.714 4.408 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.186 3.110 -7.173 1.00 0.00 H new ATOM 883 N GLY A 51 7.577 -0.233 -8.124 1.00 0.00 N ATOM 884 CA GLY A 51 8.234 -1.521 -7.868 1.00 0.00 C ATOM 885 C GLY A 51 7.547 -2.290 -6.752 1.00 0.00 C ATOM 886 O GLY A 51 6.787 -3.223 -7.002 1.00 0.00 O ATOM 0 H GLY A 51 6.581 -0.327 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.229 -2.119 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.278 -1.351 -7.604 1.00 0.00 H new ATOM 890 N LEU A 52 7.855 -1.889 -5.516 1.00 0.00 N ATOM 891 CA LEU A 52 7.340 -2.453 -4.257 1.00 0.00 C ATOM 892 C LEU A 52 7.749 -1.599 -3.052 1.00 0.00 C ATOM 893 O LEU A 52 6.964 -1.332 -2.145 1.00 0.00 O ATOM 894 CB LEU A 52 7.906 -3.887 -4.111 1.00 0.00 C ATOM 895 CG LEU A 52 7.454 -4.608 -2.831 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.149 -6.072 -3.156 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.512 -4.569 -1.724 1.00 0.00 C ATOM 0 H LEU A 52 8.506 -1.120 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 52 6.250 -2.469 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.601 -4.477 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.995 -3.840 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 52 6.568 -4.087 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.828 -6.587 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.356 -6.121 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.046 -6.552 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.138 -5.093 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.424 -5.053 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.728 -3.533 -1.464 1.00 0.00 H new ATOM 909 N ASN A 53 9.016 -1.197 -3.071 1.00 0.00 N ATOM 910 CA ASN A 53 9.747 -0.599 -1.950 1.00 0.00 C ATOM 911 C ASN A 53 10.004 0.917 -2.084 1.00 0.00 C ATOM 912 O ASN A 53 10.403 1.560 -1.112 1.00 0.00 O ATOM 913 CB ASN A 53 11.039 -1.413 -1.738 1.00 0.00 C ATOM 914 CG ASN A 53 12.110 -1.163 -2.789 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.837 -0.183 -2.750 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.239 -2.033 -3.767 1.00 0.00 N ATOM 0 H ASN A 53 9.593 -1.282 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 53 9.118 -0.657 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.447 -1.177 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.790 -2.474 -1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.944 -1.888 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.634 -2.853 -3.803 1.00 0.00 H new ATOM 923 N ASN A 54 9.775 1.488 -3.274 1.00 0.00 N ATOM 924 CA ASN A 54 10.061 2.901 -3.567 1.00 0.00 C ATOM 925 C ASN A 54 8.872 3.838 -3.271 1.00 0.00 C ATOM 926 O ASN A 54 9.063 5.038 -3.061 1.00 0.00 O ATOM 927 CB ASN A 54 10.526 3.030 -5.023 1.00 0.00 C ATOM 928 CG ASN A 54 11.758 2.193 -5.317 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.859 2.476 -4.865 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.599 1.128 -6.068 1.00 0.00 N ATOM 0 H ASN A 54 9.383 0.980 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 54 10.857 3.224 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.717 2.726 -5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.741 4.076 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.397 0.529 -6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.677 0.900 -6.441 1.00 0.00 H new ATOM 937 N LEU A 55 7.651 3.290 -3.233 1.00 0.00 N ATOM 938 CA LEU A 55 6.446 3.969 -2.741 1.00 0.00 C ATOM 939 C LEU A 55 6.525 4.341 -1.247 1.00 0.00 C ATOM 940 O LEU A 55 7.353 3.798 -0.510 1.00 0.00 O ATOM 941 CB LEU A 55 5.237 3.071 -3.044 1.00 0.00 C ATOM 942 CG LEU A 55 5.199 1.710 -2.323 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.389 1.751 -1.025 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.532 0.686 -3.231 1.00 0.00 C ATOM 0 H LEU A 55 7.469 2.338 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 55 6.345 4.923 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.331 3.619 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.206 2.890 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 55 6.231 1.450 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.397 0.765 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.831 2.477 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.362 2.040 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.501 -0.281 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.516 1.009 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.101 0.595 -4.157 1.00 0.00 H new ATOM 956 N ASN A 56 5.633 5.228 -0.785 1.00 0.00 N ATOM 957 CA ASN A 56 5.478 5.560 0.632 1.00 0.00 C ATOM 958 C ASN A 56 4.123 5.091 1.193 1.00 0.00 C ATOM 959 O ASN A 56 3.185 4.757 0.463 1.00 0.00 O ATOM 960 CB ASN A 56 5.810 7.052 0.875 1.00 0.00 C ATOM 961 CG ASN A 56 4.721 8.058 0.527 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.538 7.770 0.450 1.00 0.00 O ATOM 963 ND2 ASN A 56 5.080 9.307 0.361 1.00 0.00 N ATOM 0 H ASN A 56 4.994 5.739 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 56 6.207 4.996 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.066 7.177 1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.701 7.301 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.375 10.019 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.064 9.567 0.422 1.00 0.00 H new ATOM 970 N ALA A 57 4.039 5.073 2.520 1.00 0.00 N ATOM 971 CA ALA A 57 2.871 4.630 3.272 1.00 0.00 C ATOM 972 C ALA A 57 1.751 5.689 3.338 1.00 0.00 C ATOM 973 O ALA A 57 0.572 5.341 3.390 1.00 0.00 O ATOM 974 CB ALA A 57 3.398 4.276 4.657 1.00 0.00 C ATOM 0 H ALA A 57 4.806 5.376 3.120 1.00 0.00 H new ATOM 0 HA ALA A 57 2.398 3.779 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.574 3.933 5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.143 3.485 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.854 5.157 5.109 1.00 0.00 H new ATOM 980 N THR A 58 2.116 6.974 3.291 1.00 0.00 N ATOM 981 CA THR A 58 1.196 8.124 3.333 1.00 0.00 C ATOM 982 C THR A 58 0.202 8.099 2.168 1.00 0.00 C ATOM 983 O THR A 58 -0.996 8.296 2.343 1.00 0.00 O ATOM 984 CB THR A 58 2.010 9.430 3.297 1.00 0.00 C ATOM 985 OG1 THR A 58 3.002 9.410 4.308 1.00 0.00 O ATOM 986 CG2 THR A 58 1.153 10.673 3.520 1.00 0.00 C ATOM 0 H THR A 58 3.094 7.256 3.220 1.00 0.00 H new ATOM 0 HA THR A 58 0.622 8.065 4.258 1.00 0.00 H new ATOM 0 HB THR A 58 2.450 9.484 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.517 10.243 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.784 11.561 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.393 10.735 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.669 10.611 4.495 1.00 0.00 H new ATOM 994 N GLU A 59 0.670 7.798 0.960 1.00 0.00 N ATOM 995 CA GLU A 59 -0.183 7.686 -0.226 1.00 0.00 C ATOM 996 C GLU A 59 -1.145 6.483 -0.181 1.00 0.00 C ATOM 997 O GLU A 59 -2.231 6.563 -0.766 1.00 0.00 O ATOM 998 CB GLU A 59 0.705 7.651 -1.484 1.00 0.00 C ATOM 999 CG GLU A 59 1.410 8.980 -1.815 1.00 0.00 C ATOM 1000 CD GLU A 59 0.429 10.020 -2.383 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.400 10.261 -3.612 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.416 10.544 -1.623 1.00 0.00 O ATOM 0 H GLU A 59 1.657 7.623 0.772 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.828 8.564 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.462 6.877 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.092 7.359 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.880 9.377 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.207 8.799 -2.537 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.814 5.414 0.557 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.737 4.304 0.824 1.00 0.00 C ATOM 1011 C LEU A 60 -2.802 4.696 1.857 1.00 0.00 C ATOM 1012 O LEU A 60 -3.993 4.547 1.587 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.976 3.049 1.296 1.00 0.00 C ATOM 1014 CG LEU A 60 0.005 2.431 0.285 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.642 1.188 0.905 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.693 2.011 -1.007 1.00 0.00 C ATOM 0 H LEU A 60 0.104 5.295 0.986 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.241 4.072 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.422 3.304 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.707 2.289 1.573 1.00 0.00 H new ATOM 0 HG LEU A 60 0.752 3.188 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.339 0.744 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.178 1.468 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.136 0.465 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.037 1.580 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.460 1.270 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.155 2.883 -1.471 1.00 0.00 H new ATOM 1028 N SER A 61 -2.409 5.256 3.007 1.00 0.00 N ATOM 1029 CA SER A 61 -3.339 5.656 4.077 1.00 0.00 C ATOM 1030 C SER A 61 -4.371 6.701 3.626 1.00 0.00 C ATOM 1031 O SER A 61 -5.490 6.721 4.145 1.00 0.00 O ATOM 1032 CB SER A 61 -2.577 6.163 5.306 1.00 0.00 C ATOM 1033 OG SER A 61 -1.751 7.264 4.989 1.00 0.00 O ATOM 0 H SER A 61 -1.431 5.447 3.226 1.00 0.00 H new ATOM 0 HA SER A 61 -3.895 4.757 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.287 6.451 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.968 5.357 5.715 1.00 0.00 H new ATOM 0 HG SER A 61 -1.701 7.366 4.016 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.037 7.502 2.606 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.900 8.548 2.018 1.00 0.00 C ATOM 1041 C LYS A 62 -6.010 8.005 1.107 1.00 0.00 C ATOM 1042 O LYS A 62 -7.042 8.660 0.956 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.023 9.547 1.242 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.273 10.517 2.173 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.142 11.265 1.448 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.669 12.188 0.342 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.554 12.783 -0.435 1.00 0.00 N ATOM 0 H LYS A 62 -3.128 7.442 2.148 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.411 9.037 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.302 8.999 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.648 10.117 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.978 11.239 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.858 9.962 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.577 11.854 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.450 10.542 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.321 11.625 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.273 12.981 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.940 13.362 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.975 13.380 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.964 12.024 -0.832 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.803 6.832 0.495 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.687 6.243 -0.541 1.00 0.00 C ATOM 1063 C ARG A 63 -7.377 4.953 -0.081 1.00 0.00 C ATOM 1064 O ARG A 63 -8.556 4.746 -0.366 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.862 5.992 -1.816 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.353 7.286 -2.472 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.377 6.956 -3.611 1.00 0.00 C ATOM 1068 NE ARG A 63 -3.795 8.163 -4.234 1.00 0.00 N ATOM 1069 CZ ARG A 63 -2.855 8.942 -3.726 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -2.300 9.886 -4.428 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -2.419 8.809 -2.511 1.00 0.00 N ATOM 0 H ARG A 63 -4.997 6.244 0.706 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.487 6.956 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.011 5.357 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.472 5.444 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.194 7.861 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.857 7.909 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.574 6.329 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.897 6.375 -4.372 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.156 8.422 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.588 10.039 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.577 10.473 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.803 8.081 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.692 9.432 -2.159 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.647 4.111 0.651 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.095 2.826 1.210 1.00 0.00 C ATOM 1087 C LEU A 64 -7.825 3.029 2.555 1.00 0.00 C ATOM 1088 O LEU A 64 -8.615 2.182 2.965 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.828 1.951 1.304 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.964 0.422 1.254 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.584 -0.177 0.968 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.461 -0.213 2.552 1.00 0.00 C ATOM 0 H LEU A 64 -5.675 4.314 0.885 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.836 2.329 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.164 2.247 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.323 2.205 2.236 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.703 0.212 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.660 -1.264 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.217 0.196 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.892 0.110 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.527 -1.294 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.765 0.017 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.446 0.184 2.798 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.610 4.185 3.203 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.169 4.580 4.501 1.00 0.00 C ATOM 1106 C ASN A 65 -7.759 3.619 5.637 1.00 0.00 C ATOM 1107 O ASN A 65 -8.544 2.822 6.153 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.681 4.864 4.371 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.310 5.325 5.677 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.218 4.708 6.219 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -9.857 6.430 6.231 1.00 0.00 N ATOM 0 H ASN A 65 -7.007 4.908 2.811 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.725 5.525 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.838 5.627 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.187 3.962 4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.262 6.766 7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.101 6.950 5.786 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.483 3.728 6.012 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.804 2.996 7.094 1.00 0.00 C ATOM 1120 C ILE A 66 -4.944 3.952 7.926 1.00 0.00 C ATOM 1121 O ILE A 66 -4.609 5.055 7.497 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.930 1.829 6.555 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.102 2.242 5.319 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.800 0.590 6.327 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.165 1.169 4.770 1.00 0.00 C ATOM 0 H ILE A 66 -5.850 4.373 5.538 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.580 2.562 7.725 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.187 1.568 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.788 2.541 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.510 3.120 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.182 -0.224 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.260 0.290 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.579 0.821 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.631 1.561 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.448 0.884 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.746 0.296 4.474 1.00 0.00 H new ATOM 1137 N THR A 67 -4.541 3.494 9.106 1.00 0.00 N ATOM 1138 CA THR A 67 -3.498 4.112 9.930 1.00 0.00 C ATOM 1139 C THR A 67 -2.156 4.079 9.186 1.00 0.00 C ATOM 1140 O THR A 67 -1.819 3.070 8.564 1.00 0.00 O ATOM 1141 CB THR A 67 -3.442 3.346 11.263 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.595 3.651 12.018 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.225 3.650 12.122 1.00 0.00 C ATOM 0 H THR A 67 -4.940 2.658 9.532 1.00 0.00 H new ATOM 0 HA THR A 67 -3.720 5.160 10.131 1.00 0.00 H new ATOM 0 HB THR A 67 -3.381 2.292 10.994 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.567 3.165 12.868 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.272 3.064 13.040 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.319 3.392 11.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.210 4.712 12.369 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.354 5.148 9.272 1.00 0.00 N ATOM 1152 CA VAL A 68 -0.046 5.246 8.579 1.00 0.00 C ATOM 1153 C VAL A 68 0.887 4.100 8.980 1.00 0.00 C ATOM 1154 O VAL A 68 1.565 3.512 8.143 1.00 0.00 O ATOM 1155 CB VAL A 68 0.654 6.593 8.867 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.880 6.785 7.962 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.270 7.798 8.642 1.00 0.00 C ATOM 0 H VAL A 68 -1.587 5.975 9.823 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.257 5.179 7.512 1.00 0.00 H new ATOM 0 HB VAL A 68 0.946 6.550 9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.352 7.741 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.592 5.978 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.567 6.772 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.273 8.718 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.606 7.810 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.134 7.722 9.302 1.00 0.00 H new ATOM 1167 N ASP A 69 0.869 3.715 10.254 1.00 0.00 N ATOM 1168 CA ASP A 69 1.688 2.615 10.771 1.00 0.00 C ATOM 1169 C ASP A 69 1.173 1.232 10.351 1.00 0.00 C ATOM 1170 O ASP A 69 1.981 0.316 10.168 1.00 0.00 O ATOM 1171 CB ASP A 69 1.822 2.735 12.294 1.00 0.00 C ATOM 1172 CG ASP A 69 2.663 3.956 12.697 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.908 3.901 12.562 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.081 4.970 13.152 1.00 0.00 O ATOM 0 H ASP A 69 0.284 4.158 10.962 1.00 0.00 H new ATOM 0 HA ASP A 69 2.677 2.704 10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.831 2.812 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.281 1.830 12.691 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.136 1.087 10.085 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.668 -0.111 9.427 1.00 0.00 C ATOM 1181 C LYS A 70 -0.201 -0.179 7.979 1.00 0.00 C ATOM 1182 O LYS A 70 0.173 -1.258 7.545 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.199 -0.205 9.538 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.641 -0.586 10.959 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.154 -0.836 11.015 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.560 -1.311 12.417 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.011 -1.630 12.488 1.00 0.00 N ATOM 0 H LYS A 70 -0.842 1.786 10.317 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.270 -0.979 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.644 0.751 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.571 -0.946 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.109 -1.481 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.374 0.211 11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.691 0.079 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.434 -1.585 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.979 -2.194 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.321 -0.538 13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.250 -1.948 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.565 -0.781 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.234 -2.385 11.808 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.110 0.947 7.269 1.00 0.00 N ATOM 1202 CA ALA A 71 0.405 0.991 5.894 1.00 0.00 C ATOM 1203 C ALA A 71 1.899 0.624 5.838 1.00 0.00 C ATOM 1204 O ALA A 71 2.293 -0.255 5.069 1.00 0.00 O ATOM 1205 CB ALA A 71 0.105 2.378 5.295 1.00 0.00 C ATOM 0 H ALA A 71 -0.392 1.858 7.630 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.100 0.240 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.483 2.423 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.972 2.548 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.591 3.147 5.896 1.00 0.00 H new ATOM 1211 N LYS A 72 2.716 1.219 6.718 1.00 0.00 N ATOM 1212 CA LYS A 72 4.163 0.944 6.850 1.00 0.00 C ATOM 1213 C LYS A 72 4.455 -0.531 7.144 1.00 0.00 C ATOM 1214 O LYS A 72 5.360 -1.102 6.534 1.00 0.00 O ATOM 1215 CB LYS A 72 4.760 1.822 7.971 1.00 0.00 C ATOM 1216 CG LYS A 72 4.855 3.314 7.612 1.00 0.00 C ATOM 1217 CD LYS A 72 5.113 4.228 8.822 1.00 0.00 C ATOM 1218 CE LYS A 72 6.370 3.899 9.639 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.624 4.208 8.899 1.00 0.00 N ATOM 0 H LYS A 72 2.385 1.924 7.377 1.00 0.00 H new ATOM 0 HA LYS A 72 4.626 1.184 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.150 1.713 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.756 1.453 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.656 3.453 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.928 3.621 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.188 5.257 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.248 4.180 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.353 4.464 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.360 2.842 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.445 3.969 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.656 3.650 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.649 5.221 8.666 1.00 0.00 H new ATOM 1233 N THR A 73 3.698 -1.160 8.051 1.00 0.00 N ATOM 1234 CA THR A 73 3.940 -2.564 8.437 1.00 0.00 C ATOM 1235 C THR A 73 3.276 -3.572 7.491 1.00 0.00 C ATOM 1236 O THR A 73 3.872 -4.608 7.197 1.00 0.00 O ATOM 1237 CB THR A 73 3.596 -2.802 9.918 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.349 -3.896 10.391 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.123 -3.095 10.200 1.00 0.00 C ATOM 0 H THR A 73 2.912 -0.723 8.533 1.00 0.00 H new ATOM 0 HA THR A 73 5.009 -2.745 8.328 1.00 0.00 H new ATOM 0 HB THR A 73 3.833 -1.867 10.426 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.138 -4.055 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.981 -3.248 11.270 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.515 -2.253 9.870 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.821 -3.993 9.662 1.00 0.00 H new ATOM 1247 N TYR A 74 2.098 -3.255 6.937 1.00 0.00 N ATOM 1248 CA TYR A 74 1.399 -4.082 5.943 1.00 0.00 C ATOM 1249 C TYR A 74 2.294 -4.373 4.734 1.00 0.00 C ATOM 1250 O TYR A 74 2.446 -5.538 4.368 1.00 0.00 O ATOM 1251 CB TYR A 74 0.102 -3.382 5.497 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.484 -3.919 4.210 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.145 -3.292 2.996 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.288 -5.074 4.212 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -0.536 -3.862 1.777 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.698 -5.640 2.989 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.288 -5.058 1.770 1.00 0.00 C ATOM 1258 OH TYR A 74 -1.593 -5.672 0.597 1.00 0.00 O ATOM 0 H TYR A 74 1.594 -2.400 7.172 1.00 0.00 H new ATOM 0 HA TYR A 74 1.148 -5.036 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.640 -3.479 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.301 -2.317 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.417 -2.370 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.589 -5.524 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.263 -3.388 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.326 -6.519 2.984 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.114 -6.482 0.778 1.00 0.00 H new ATOM 1268 N ILE A 75 2.940 -3.339 4.173 1.00 0.00 N ATOM 1269 CA ILE A 75 3.847 -3.443 3.017 1.00 0.00 C ATOM 1270 C ILE A 75 4.822 -4.619 3.202 1.00 0.00 C ATOM 1271 O ILE A 75 4.812 -5.574 2.426 1.00 0.00 O ATOM 1272 CB ILE A 75 4.573 -2.083 2.818 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.631 -1.040 2.172 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.853 -2.206 1.968 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.147 0.405 2.292 1.00 0.00 C ATOM 0 H ILE A 75 2.844 -2.384 4.518 1.00 0.00 H new ATOM 0 HA ILE A 75 3.281 -3.655 2.110 1.00 0.00 H new ATOM 0 HB ILE A 75 4.864 -1.751 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.498 -1.284 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.649 -1.108 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.316 -1.225 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.550 -2.886 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.599 -2.594 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.439 1.085 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.253 0.667 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.115 0.488 1.798 1.00 0.00 H new ATOM 1287 N LYS A 76 5.619 -4.597 4.273 1.00 0.00 N ATOM 1288 CA LYS A 76 6.710 -5.559 4.497 1.00 0.00 C ATOM 1289 C LYS A 76 6.317 -6.858 5.214 1.00 0.00 C ATOM 1290 O LYS A 76 7.166 -7.737 5.355 1.00 0.00 O ATOM 1291 CB LYS A 76 7.885 -4.832 5.178 1.00 0.00 C ATOM 1292 CG LYS A 76 7.567 -4.379 6.615 1.00 0.00 C ATOM 1293 CD LYS A 76 8.738 -3.588 7.211 1.00 0.00 C ATOM 1294 CE LYS A 76 8.410 -3.156 8.645 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.529 -2.386 9.251 1.00 0.00 N ATOM 0 H LYS A 76 5.527 -3.906 5.018 1.00 0.00 H new ATOM 0 HA LYS A 76 7.014 -5.921 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.752 -5.493 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.160 -3.962 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.668 -3.762 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.357 -5.249 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.640 -4.200 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.944 -2.711 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.506 -2.547 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.201 -4.036 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.275 -2.109 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.385 -2.976 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.711 -1.533 8.684 1.00 0.00 H new ATOM 1309 N ASN A 77 5.062 -7.013 5.642 1.00 0.00 N ATOM 1310 CA ASN A 77 4.529 -8.286 6.158 1.00 0.00 C ATOM 1311 C ASN A 77 3.724 -9.063 5.102 1.00 0.00 C ATOM 1312 O ASN A 77 3.783 -10.294 5.065 1.00 0.00 O ATOM 1313 CB ASN A 77 3.712 -8.033 7.437 1.00 0.00 C ATOM 1314 CG ASN A 77 4.604 -7.805 8.647 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.976 -8.731 9.356 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.988 -6.582 8.916 1.00 0.00 N ATOM 0 H ASN A 77 4.378 -6.256 5.642 1.00 0.00 H new ATOM 0 HA ASN A 77 5.375 -8.926 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.070 -7.164 7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.058 -8.885 7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.596 -6.402 9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.679 -5.809 8.326 1.00 0.00 H new ATOM 1420 N THR A 84 5.633 -14.234 -2.444 1.00 0.00 N ATOM 1421 CA THR A 84 6.073 -14.913 -1.209 1.00 0.00 C ATOM 1422 C THR A 84 7.332 -15.775 -1.389 1.00 0.00 C ATOM 1423 O THR A 84 7.375 -16.938 -0.987 1.00 0.00 O ATOM 1424 CB THR A 84 4.929 -15.695 -0.516 1.00 0.00 C ATOM 1425 OG1 THR A 84 3.635 -15.203 -0.818 1.00 0.00 O ATOM 1426 CG2 THR A 84 5.122 -15.552 0.990 1.00 0.00 C ATOM 0 HA THR A 84 6.362 -14.107 -0.535 1.00 0.00 H new ATOM 0 HB THR A 84 4.982 -16.724 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.661 -14.715 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.331 -16.092 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.091 -15.964 1.273 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.082 -14.498 1.263 1.00 0.00 H new ATOM 1434 N ASN A 85 8.368 -15.218 -2.028 1.00 0.00 N ATOM 1435 CA ASN A 85 9.734 -15.774 -2.090 1.00 0.00 C ATOM 1436 C ASN A 85 9.872 -17.222 -2.630 1.00 0.00 C ATOM 1437 O ASN A 85 10.865 -17.890 -2.346 1.00 0.00 O ATOM 1438 CB ASN A 85 10.437 -15.531 -0.731 1.00 0.00 C ATOM 1439 CG ASN A 85 10.779 -14.071 -0.509 1.00 0.00 C ATOM 1440 OD1 ASN A 85 10.067 -13.323 0.145 1.00 0.00 O ATOM 1441 ND2 ASN A 85 11.876 -13.619 -1.071 1.00 0.00 N ATOM 0 H ASN A 85 8.280 -14.337 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 85 10.258 -15.226 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.791 -15.877 0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.349 -16.126 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.138 -12.639 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.466 -14.248 -1.616 1.00 0.00 H new ATOM 1448 N ASN A 86 8.916 -17.702 -3.434 1.00 0.00 N ATOM 1449 CA ASN A 86 8.929 -19.030 -4.080 1.00 0.00 C ATOM 1450 C ASN A 86 9.162 -18.985 -5.606 1.00 0.00 C ATOM 1451 O ASN A 86 9.268 -20.026 -6.252 1.00 0.00 O ATOM 1452 CB ASN A 86 7.663 -19.815 -3.685 1.00 0.00 C ATOM 1453 CG ASN A 86 6.378 -19.093 -4.044 1.00 0.00 C ATOM 1454 OD1 ASN A 86 5.793 -19.270 -5.101 1.00 0.00 O ATOM 1455 ND2 ASN A 86 5.930 -18.221 -3.173 1.00 0.00 N ATOM 0 H ASN A 86 8.082 -17.162 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 86 9.799 -19.567 -3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.677 -20.787 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.679 -20.003 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.087 -17.684 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.425 -18.079 -2.292 1.00 0.00 H new ATOM 1462 N PHE A 87 9.315 -17.790 -6.187 1.00 0.00 N ATOM 1463 CA PHE A 87 9.445 -17.544 -7.636 1.00 0.00 C ATOM 1464 C PHE A 87 10.838 -17.890 -8.230 1.00 0.00 C ATOM 1465 O PHE A 87 11.217 -17.394 -9.290 1.00 0.00 O ATOM 1466 CB PHE A 87 9.006 -16.100 -7.943 1.00 0.00 C ATOM 1467 CG PHE A 87 10.047 -15.042 -7.624 1.00 0.00 C ATOM 1468 CD1 PHE A 87 10.315 -14.682 -6.288 1.00 0.00 C ATOM 1469 CD2 PHE A 87 10.782 -14.447 -8.668 1.00 0.00 C ATOM 1470 CE1 PHE A 87 11.340 -13.766 -5.998 1.00 0.00 C ATOM 1471 CE2 PHE A 87 11.804 -13.527 -8.376 1.00 0.00 C ATOM 1472 CZ PHE A 87 12.089 -13.191 -7.041 1.00 0.00 C ATOM 0 H PHE A 87 9.354 -16.929 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 87 8.779 -18.241 -8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.747 -16.030 -9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.100 -15.882 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.732 -15.111 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.560 -14.698 -9.695 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.553 -13.503 -4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.371 -13.078 -9.178 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.882 -12.493 -6.816 1.00 0.00 H new ATOM 1482 N LYS A 88 11.629 -18.720 -7.536 1.00 0.00 N ATOM 1483 CA LYS A 88 13.091 -18.914 -7.705 1.00 0.00 C ATOM 1484 C LYS A 88 13.471 -20.069 -8.650 1.00 0.00 C ATOM 1485 O LYS A 88 14.651 -20.320 -8.897 1.00 0.00 O ATOM 1486 CB LYS A 88 13.718 -19.117 -6.311 1.00 0.00 C ATOM 1487 CG LYS A 88 13.337 -17.977 -5.347 1.00 0.00 C ATOM 1488 CD LYS A 88 13.963 -18.114 -3.954 1.00 0.00 C ATOM 1489 CE LYS A 88 13.377 -19.311 -3.188 1.00 0.00 C ATOM 1490 NZ LYS A 88 13.790 -19.297 -1.765 1.00 0.00 N ATOM 0 H LYS A 88 11.251 -19.312 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 88 13.486 -18.019 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.387 -20.070 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.803 -19.169 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.645 -17.026 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.252 -17.945 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.042 -18.235 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.793 -17.199 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.289 -19.289 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.706 -20.240 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.378 -20.117 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.827 -19.342 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.455 -18.421 -1.315 1.00 0.00 H new ATOM 1504 N THR A 89 12.449 -20.761 -9.150 1.00 0.00 N ATOM 1505 CA THR A 89 12.495 -22.016 -9.914 1.00 0.00 C ATOM 1506 C THR A 89 11.329 -22.032 -10.905 1.00 0.00 C ATOM 1507 O THR A 89 11.510 -22.300 -12.092 1.00 0.00 O ATOM 1508 CB THR A 89 12.392 -23.192 -8.923 1.00 0.00 C ATOM 1509 OG1 THR A 89 13.606 -23.326 -8.211 1.00 0.00 O ATOM 1510 CG2 THR A 89 12.100 -24.536 -9.583 1.00 0.00 C ATOM 0 H THR A 89 11.490 -20.437 -9.024 1.00 0.00 H new ATOM 0 HA THR A 89 13.427 -22.103 -10.472 1.00 0.00 H new ATOM 0 HB THR A 89 11.554 -22.949 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.535 -24.074 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 89 12.043 -25.312 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.151 -24.481 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.897 -24.777 -10.286 1.00 0.00 H new ATOM 1518 N ILE A 90 10.130 -21.672 -10.434 1.00 0.00 N ATOM 1519 CA ILE A 90 8.956 -21.420 -11.275 1.00 0.00 C ATOM 1520 C ILE A 90 9.087 -20.092 -12.039 1.00 0.00 C ATOM 1521 O ILE A 90 9.901 -19.240 -11.680 1.00 0.00 O ATOM 1522 CB ILE A 90 7.668 -21.532 -10.440 1.00 0.00 C ATOM 1523 CG1 ILE A 90 7.611 -20.475 -9.318 1.00 0.00 C ATOM 1524 CG2 ILE A 90 7.515 -22.969 -9.904 1.00 0.00 C ATOM 1525 CD1 ILE A 90 6.321 -20.535 -8.501 1.00 0.00 C ATOM 0 H ILE A 90 9.946 -21.545 -9.439 1.00 0.00 H new ATOM 0 HA ILE A 90 8.895 -22.189 -12.045 1.00 0.00 H new ATOM 0 HB ILE A 90 6.817 -21.320 -11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 90 8.462 -20.615 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.710 -19.482 -9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.602 -23.042 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.463 -23.666 -10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.372 -23.217 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.343 -19.766 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.467 -20.366 -9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.231 -21.516 -8.034 1.00 0.00 H new ATOM 1537 N LYS A 91 8.298 -19.925 -13.110 1.00 0.00 N ATOM 1538 CA LYS A 91 8.343 -18.774 -14.041 1.00 0.00 C ATOM 1539 C LYS A 91 9.687 -18.596 -14.790 1.00 0.00 C ATOM 1540 O LYS A 91 9.949 -17.529 -15.347 1.00 0.00 O ATOM 1541 CB LYS A 91 7.821 -17.481 -13.355 1.00 0.00 C ATOM 1542 CG LYS A 91 6.303 -17.452 -13.109 1.00 0.00 C ATOM 1543 CD LYS A 91 5.798 -18.179 -11.852 1.00 0.00 C ATOM 1544 CE LYS A 91 4.274 -18.317 -11.946 1.00 0.00 C ATOM 1545 NZ LYS A 91 3.657 -18.746 -10.662 1.00 0.00 N ATOM 0 H LYS A 91 7.584 -20.607 -13.366 1.00 0.00 H new ATOM 0 HA LYS A 91 7.651 -19.008 -14.850 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.332 -17.361 -12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.092 -16.624 -13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.987 -16.411 -13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.808 -17.888 -13.977 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.263 -19.162 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.073 -17.622 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.845 -17.362 -12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.026 -19.040 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.627 -18.613 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.869 -19.750 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.043 -18.175 -9.883 1.00 0.00 H new ATOM 1559 N MET A 92 10.517 -19.647 -14.850 1.00 0.00 N ATOM 1560 CA MET A 92 11.782 -19.682 -15.616 1.00 0.00 C ATOM 1561 C MET A 92 11.854 -20.852 -16.613 1.00 0.00 C ATOM 1562 O MET A 92 12.240 -20.658 -17.766 1.00 0.00 O ATOM 1563 CB MET A 92 12.985 -19.761 -14.663 1.00 0.00 C ATOM 1564 CG MET A 92 13.020 -18.630 -13.637 1.00 0.00 C ATOM 1565 SD MET A 92 14.474 -18.692 -12.561 1.00 0.00 S ATOM 1566 CE MET A 92 13.777 -17.762 -11.185 1.00 0.00 C ATOM 0 H MET A 92 10.328 -20.520 -14.357 1.00 0.00 H new ATOM 0 HA MET A 92 11.812 -18.757 -16.191 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.962 -20.717 -14.139 1.00 0.00 H new ATOM 0 HB3 MET A 92 13.905 -19.740 -15.248 1.00 0.00 H new ATOM 0 HG2 MET A 92 13.002 -17.673 -14.159 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.120 -18.675 -13.024 1.00 0.00 H new ATOM 0 HE1 MET A 92 14.519 -17.677 -10.391 1.00 0.00 H new ATOM 0 HE2 MET A 92 13.494 -16.766 -11.525 1.00 0.00 H new ATOM 0 HE3 MET A 92 12.896 -18.280 -10.805 1.00 0.00 H new ATOM 1576 N PHE A 93 11.463 -22.055 -16.178 1.00 0.00 N ATOM 1577 CA PHE A 93 11.551 -23.316 -16.940 1.00 0.00 C ATOM 1578 C PHE A 93 10.159 -23.910 -17.241 1.00 0.00 C ATOM 1579 O PHE A 93 9.981 -25.125 -17.346 1.00 0.00 O ATOM 1580 CB PHE A 93 12.467 -24.300 -16.191 1.00 0.00 C ATOM 1581 CG PHE A 93 13.760 -23.686 -15.687 1.00 0.00 C ATOM 1582 CD1 PHE A 93 14.813 -23.405 -16.579 1.00 0.00 C ATOM 1583 CD2 PHE A 93 13.885 -23.347 -14.328 1.00 0.00 C ATOM 1584 CE1 PHE A 93 15.987 -22.789 -16.108 1.00 0.00 C ATOM 1585 CE2 PHE A 93 15.058 -22.731 -13.857 1.00 0.00 C ATOM 1586 CZ PHE A 93 16.110 -22.451 -14.748 1.00 0.00 C ATOM 0 H PHE A 93 11.060 -22.187 -15.250 1.00 0.00 H new ATOM 0 HA PHE A 93 11.993 -23.111 -17.915 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.920 -24.715 -15.344 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.707 -25.132 -16.853 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.719 -23.662 -17.624 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.077 -23.561 -13.644 1.00 0.00 H new ATOM 0 HE1 PHE A 93 16.795 -22.575 -16.792 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.151 -22.473 -12.812 1.00 0.00 H new ATOM 0 HZ PHE A 93 17.011 -21.977 -14.388 1.00 0.00 H new ATOM 1596 N GLU A 94 9.153 -23.039 -17.318 1.00 0.00 N ATOM 1597 CA GLU A 94 7.724 -23.366 -17.335 1.00 0.00 C ATOM 1598 C GLU A 94 6.951 -22.530 -18.373 1.00 0.00 C ATOM 1599 O GLU A 94 7.419 -21.480 -18.825 1.00 0.00 O ATOM 1600 CB GLU A 94 7.151 -23.155 -15.914 1.00 0.00 C ATOM 1601 CG GLU A 94 6.964 -24.460 -15.126 1.00 0.00 C ATOM 1602 CD GLU A 94 5.942 -25.447 -15.741 1.00 0.00 C ATOM 1603 OE1 GLU A 94 5.823 -26.583 -15.219 1.00 0.00 O ATOM 1604 OE2 GLU A 94 5.251 -25.111 -16.734 1.00 0.00 O ATOM 0 H GLU A 94 9.319 -22.034 -17.373 1.00 0.00 H new ATOM 0 HA GLU A 94 7.606 -24.408 -17.632 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.817 -22.496 -15.357 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.190 -22.646 -15.991 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.929 -24.961 -15.045 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.646 -24.214 -14.113 1.00 0.00 H new