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 85 ASN : amide:sc= 0.774 K(o=1.9,f=-3.5) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -178:sc= 1.11 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.788 K(o=0.79,f=-9.8!) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= 1.42 (180deg=0.982) 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 -36:sc= 0.00268 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.302 K(o=0.3,f=-7.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -11:sc= 0.317 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.21) USER MOD Single : A 65 ASN : amide:sc= 0.603 K(o=0.6,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 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 150:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 16:sc= 0.45 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.977 -6.606 2.679 1.00 0.00 N ATOM 624 CA LEU A 35 -8.602 -6.332 1.288 1.00 0.00 C ATOM 625 C LEU A 35 -9.595 -6.907 0.250 1.00 0.00 C ATOM 626 O LEU A 35 -9.542 -8.085 -0.112 1.00 0.00 O ATOM 627 CB LEU A 35 -7.128 -6.760 1.078 1.00 0.00 C ATOM 628 CG LEU A 35 -6.312 -5.720 0.305 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.866 -4.568 1.214 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.070 -6.371 -0.296 1.00 0.00 C ATOM 0 HA LEU A 35 -8.671 -5.260 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.663 -6.932 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.103 -7.708 0.540 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.952 -5.323 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.289 -3.848 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.743 -4.076 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.248 -4.960 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.496 -5.623 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.455 -6.787 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.370 -7.168 -0.976 1.00 0.00 H new ATOM 642 N SER A 36 -10.493 -6.062 -0.270 1.00 0.00 N ATOM 643 CA SER A 36 -11.652 -6.491 -1.074 1.00 0.00 C ATOM 644 C SER A 36 -11.374 -6.489 -2.566 1.00 0.00 C ATOM 645 O SER A 36 -11.215 -7.549 -3.173 1.00 0.00 O ATOM 646 CB SER A 36 -12.933 -5.729 -0.698 1.00 0.00 C ATOM 647 OG SER A 36 -13.229 -5.908 0.680 1.00 0.00 O ATOM 0 H SER A 36 -10.438 -5.051 -0.145 1.00 0.00 H new ATOM 0 HA SER A 36 -11.832 -7.535 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.810 -4.668 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.766 -6.084 -1.305 1.00 0.00 H new ATOM 0 HG SER A 36 -14.046 -5.416 0.906 1.00 0.00 H new ATOM 653 N GLU A 37 -11.295 -5.311 -3.169 1.00 0.00 N ATOM 654 CA GLU A 37 -11.158 -5.167 -4.617 1.00 0.00 C ATOM 655 C GLU A 37 -10.669 -3.771 -4.995 1.00 0.00 C ATOM 656 O GLU A 37 -9.703 -3.620 -5.740 1.00 0.00 O ATOM 657 CB GLU A 37 -12.527 -5.472 -5.259 1.00 0.00 C ATOM 658 CG GLU A 37 -12.317 -6.379 -6.466 1.00 0.00 C ATOM 659 CD GLU A 37 -13.646 -6.680 -7.184 1.00 0.00 C ATOM 660 OE1 GLU A 37 -14.316 -7.685 -6.840 1.00 0.00 O ATOM 661 OE2 GLU A 37 -14.027 -5.918 -8.106 1.00 0.00 O ATOM 0 H GLU A 37 -11.324 -4.423 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.409 -5.867 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.183 -5.955 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.015 -4.546 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.625 -5.905 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.856 -7.313 -6.145 1.00 0.00 H new ATOM 668 N GLU A 38 -11.267 -2.749 -4.385 1.00 0.00 N ATOM 669 CA GLU A 38 -10.842 -1.355 -4.532 1.00 0.00 C ATOM 670 C GLU A 38 -9.455 -1.144 -3.904 1.00 0.00 C ATOM 671 O GLU A 38 -8.634 -0.396 -4.428 1.00 0.00 O ATOM 672 CB GLU A 38 -11.903 -0.461 -3.865 1.00 0.00 C ATOM 673 CG GLU A 38 -11.765 1.031 -4.192 1.00 0.00 C ATOM 674 CD GLU A 38 -12.230 1.351 -5.627 1.00 0.00 C ATOM 675 OE1 GLU A 38 -11.408 1.279 -6.571 1.00 0.00 O ATOM 676 OE2 GLU A 38 -13.426 1.682 -5.820 1.00 0.00 O ATOM 0 H GLU A 38 -12.070 -2.866 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.756 -1.093 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.892 -0.799 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.844 -0.591 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.352 1.614 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.725 1.334 -4.071 1.00 0.00 H new ATOM 683 N GLN A 39 -9.161 -1.866 -2.816 1.00 0.00 N ATOM 684 CA GLN A 39 -7.920 -1.745 -2.048 1.00 0.00 C ATOM 685 C GLN A 39 -6.712 -2.241 -2.855 1.00 0.00 C ATOM 686 O GLN A 39 -5.657 -1.607 -2.865 1.00 0.00 O ATOM 687 CB GLN A 39 -8.061 -2.502 -0.717 1.00 0.00 C ATOM 688 CG GLN A 39 -9.156 -1.947 0.218 1.00 0.00 C ATOM 689 CD GLN A 39 -10.584 -2.359 -0.147 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.829 -3.209 -0.996 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.586 -1.788 0.482 1.00 0.00 N ATOM 0 H GLN A 39 -9.797 -2.568 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.741 -0.692 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.278 -3.549 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.105 -2.474 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.947 -2.278 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.096 -0.859 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.405 -1.078 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.545 -2.054 0.260 1.00 0.00 H new ATOM 700 N LYS A 40 -6.883 -3.324 -3.621 1.00 0.00 N ATOM 701 CA LYS A 40 -5.872 -3.818 -4.578 1.00 0.00 C ATOM 702 C LYS A 40 -5.608 -2.849 -5.722 1.00 0.00 C ATOM 703 O LYS A 40 -4.452 -2.641 -6.092 1.00 0.00 O ATOM 704 CB LYS A 40 -6.333 -5.167 -5.135 1.00 0.00 C ATOM 705 CG LYS A 40 -5.994 -6.278 -4.139 1.00 0.00 C ATOM 706 CD LYS A 40 -7.022 -7.424 -4.173 1.00 0.00 C ATOM 707 CE LYS A 40 -7.760 -7.520 -2.829 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.668 -8.694 -2.766 1.00 0.00 N ATOM 0 H LYS A 40 -7.731 -3.890 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.932 -3.922 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.407 -5.147 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.848 -5.362 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.003 -6.674 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.951 -5.861 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.738 -7.255 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.519 -8.367 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.031 -7.584 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.336 -6.609 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.796 -8.981 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.590 -8.442 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.254 -9.482 -3.303 1.00 0.00 H new ATOM 722 N LYS A 41 -6.657 -2.185 -6.207 1.00 0.00 N ATOM 723 CA LYS A 41 -6.541 -1.080 -7.183 1.00 0.00 C ATOM 724 C LYS A 41 -5.838 0.179 -6.637 1.00 0.00 C ATOM 725 O LYS A 41 -5.606 1.118 -7.399 1.00 0.00 O ATOM 726 CB LYS A 41 -7.911 -0.724 -7.789 1.00 0.00 C ATOM 727 CG LYS A 41 -8.543 -1.883 -8.569 1.00 0.00 C ATOM 728 CD LYS A 41 -9.875 -1.450 -9.196 1.00 0.00 C ATOM 729 CE LYS A 41 -10.518 -2.620 -9.950 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.783 -2.209 -10.614 1.00 0.00 N ATOM 0 H LYS A 41 -7.619 -2.392 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.891 -1.461 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.587 -0.420 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.796 0.133 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.860 -2.219 -9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.707 -2.730 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.551 -1.095 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.709 -0.617 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.821 -3.001 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.718 -3.436 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.192 -3.023 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.456 -1.869 -9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.586 -1.447 -11.294 1.00 0.00 H new ATOM 744 N ILE A 42 -5.449 0.190 -5.357 1.00 0.00 N ATOM 745 CA ILE A 42 -4.509 1.155 -4.767 1.00 0.00 C ATOM 746 C ILE A 42 -3.143 0.497 -4.532 1.00 0.00 C ATOM 747 O ILE A 42 -2.142 1.009 -5.021 1.00 0.00 O ATOM 748 CB ILE A 42 -5.105 1.767 -3.482 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.382 2.580 -3.809 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.103 2.658 -2.723 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.498 2.280 -2.810 1.00 0.00 C ATOM 0 H ILE A 42 -5.789 -0.493 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.348 1.977 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.356 0.931 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.152 3.645 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.720 2.342 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.579 3.060 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.234 2.066 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.787 3.479 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.382 2.865 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.743 1.218 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.167 2.542 -1.805 1.00 0.00 H new ATOM 763 N VAL A 43 -3.082 -0.644 -3.832 1.00 0.00 N ATOM 764 CA VAL A 43 -1.815 -1.290 -3.432 1.00 0.00 C ATOM 765 C VAL A 43 -1.075 -1.879 -4.631 1.00 0.00 C ATOM 766 O VAL A 43 0.025 -1.440 -4.961 1.00 0.00 O ATOM 767 CB VAL A 43 -2.039 -2.382 -2.364 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.723 -3.085 -1.993 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.641 -1.797 -1.084 1.00 0.00 C ATOM 0 H VAL A 43 -3.912 -1.151 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.195 -0.506 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.730 -3.101 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.918 -3.848 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.298 -3.553 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.019 -2.354 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.786 -2.593 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.965 -1.046 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.601 -1.335 -1.312 1.00 0.00 H new ATOM 779 N ALA A 44 -1.665 -2.875 -5.294 1.00 0.00 N ATOM 780 CA ALA A 44 -1.017 -3.605 -6.383 1.00 0.00 C ATOM 781 C ALA A 44 -0.851 -2.730 -7.633 1.00 0.00 C ATOM 782 O ALA A 44 0.141 -2.841 -8.354 1.00 0.00 O ATOM 783 CB ALA A 44 -1.832 -4.861 -6.675 1.00 0.00 C ATOM 0 H ALA A 44 -2.610 -3.199 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.009 -3.890 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.363 -5.419 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.873 -5.484 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.844 -4.579 -6.967 1.00 0.00 H new ATOM 789 N ASP A 45 -1.777 -1.790 -7.831 1.00 0.00 N ATOM 790 CA ASP A 45 -1.620 -0.703 -8.806 1.00 0.00 C ATOM 791 C ASP A 45 -0.333 0.124 -8.577 1.00 0.00 C ATOM 792 O ASP A 45 0.348 0.482 -9.539 1.00 0.00 O ATOM 793 CB ASP A 45 -2.860 0.193 -8.747 1.00 0.00 C ATOM 794 CG ASP A 45 -2.835 1.273 -9.841 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.106 0.940 -11.020 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.552 2.454 -9.527 1.00 0.00 O ATOM 0 H ASP A 45 -2.659 -1.759 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.521 -1.146 -9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.756 -0.418 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.919 0.668 -7.768 1.00 0.00 H new ATOM 801 N TYR A 46 0.060 0.356 -7.318 1.00 0.00 N ATOM 802 CA TYR A 46 1.313 1.034 -6.954 1.00 0.00 C ATOM 803 C TYR A 46 2.543 0.127 -7.138 1.00 0.00 C ATOM 804 O TYR A 46 3.587 0.565 -7.625 1.00 0.00 O ATOM 805 CB TYR A 46 1.216 1.529 -5.499 1.00 0.00 C ATOM 806 CG TYR A 46 1.908 2.836 -5.167 1.00 0.00 C ATOM 807 CD1 TYR A 46 2.983 3.321 -5.929 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.448 3.579 -4.068 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.572 4.559 -5.630 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.043 4.810 -3.737 1.00 0.00 C ATOM 811 CZ TYR A 46 3.102 5.314 -4.527 1.00 0.00 C ATOM 812 OH TYR A 46 3.690 6.495 -4.193 1.00 0.00 O ATOM 0 H TYR A 46 -0.493 0.073 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 46 1.448 1.882 -7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.161 1.631 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.626 0.755 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.361 2.735 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.630 3.202 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.381 4.935 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.692 5.369 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 46 3.238 6.876 -3.412 1.00 0.00 H new ATOM 822 N ILE A 47 2.418 -1.166 -6.825 1.00 0.00 N ATOM 823 CA ILE A 47 3.484 -2.162 -7.044 1.00 0.00 C ATOM 824 C ILE A 47 3.821 -2.271 -8.544 1.00 0.00 C ATOM 825 O ILE A 47 4.981 -2.446 -8.919 1.00 0.00 O ATOM 826 CB ILE A 47 3.068 -3.511 -6.405 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.785 -3.419 -4.881 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.094 -4.630 -6.639 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.566 -2.351 -4.100 1.00 0.00 C ATOM 0 H ILE A 47 1.573 -1.558 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 47 4.404 -1.845 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 47 2.139 -3.759 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.720 -3.232 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.998 -4.391 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.745 -5.548 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.214 -4.795 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.052 -4.342 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.280 -2.387 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.635 -2.542 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.337 -1.365 -4.504 1.00 0.00 H new ATOM 841 N SER A 48 2.828 -2.044 -9.407 1.00 0.00 N ATOM 842 CA SER A 48 2.989 -1.929 -10.862 1.00 0.00 C ATOM 843 C SER A 48 3.661 -0.618 -11.325 1.00 0.00 C ATOM 844 O SER A 48 4.136 -0.542 -12.461 1.00 0.00 O ATOM 845 CB SER A 48 1.608 -2.068 -11.518 1.00 0.00 C ATOM 846 OG SER A 48 1.721 -2.486 -12.869 1.00 0.00 O ATOM 0 H SER A 48 1.860 -1.931 -9.106 1.00 0.00 H new ATOM 0 HA SER A 48 3.663 -2.728 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.009 -2.788 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.083 -1.114 -11.473 1.00 0.00 H new ATOM 0 HG SER A 48 2.510 -2.070 -13.275 1.00 0.00 H new ATOM 852 N GLU A 49 3.729 0.426 -10.485 1.00 0.00 N ATOM 853 CA GLU A 49 4.140 1.776 -10.886 1.00 0.00 C ATOM 854 C GLU A 49 5.595 2.095 -10.498 1.00 0.00 C ATOM 855 O GLU A 49 6.327 2.671 -11.306 1.00 0.00 O ATOM 856 CB GLU A 49 3.147 2.778 -10.267 1.00 0.00 C ATOM 857 CG GLU A 49 3.280 4.216 -10.783 1.00 0.00 C ATOM 858 CD GLU A 49 2.793 4.363 -12.239 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.587 4.638 -12.455 1.00 0.00 O ATOM 860 OE2 GLU A 49 3.611 4.222 -13.180 1.00 0.00 O ATOM 0 H GLU A 49 3.496 0.353 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 49 4.116 1.849 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.133 2.430 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.282 2.781 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.706 4.884 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.322 4.528 -10.718 1.00 0.00 H new ATOM 867 N VAL A 50 6.028 1.721 -9.282 1.00 0.00 N ATOM 868 CA VAL A 50 7.321 2.164 -8.707 1.00 0.00 C ATOM 869 C VAL A 50 8.217 1.039 -8.166 1.00 0.00 C ATOM 870 O VAL A 50 9.399 1.273 -7.917 1.00 0.00 O ATOM 871 CB VAL A 50 7.104 3.269 -7.651 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.276 4.437 -8.198 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.471 2.724 -6.370 1.00 0.00 C ATOM 0 H VAL A 50 5.497 1.105 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 50 7.879 2.573 -9.549 1.00 0.00 H new ATOM 0 HB VAL A 50 8.096 3.647 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.150 5.189 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.791 4.880 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.298 4.073 -8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.337 3.537 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.502 2.282 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.122 1.964 -5.937 1.00 0.00 H new ATOM 883 N GLY A 51 7.698 -0.180 -7.994 1.00 0.00 N ATOM 884 CA GLY A 51 8.475 -1.408 -7.774 1.00 0.00 C ATOM 885 C GLY A 51 7.973 -2.200 -6.570 1.00 0.00 C ATOM 886 O GLY A 51 7.263 -3.193 -6.719 1.00 0.00 O ATOM 0 H GLY A 51 6.692 -0.347 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.423 -2.033 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.524 -1.151 -7.626 1.00 0.00 H new ATOM 890 N LEU A 52 8.347 -1.742 -5.373 1.00 0.00 N ATOM 891 CA LEU A 52 7.888 -2.292 -4.087 1.00 0.00 C ATOM 892 C LEU A 52 8.087 -1.304 -2.926 1.00 0.00 C ATOM 893 O LEU A 52 7.204 -1.097 -2.098 1.00 0.00 O ATOM 894 CB LEU A 52 8.675 -3.588 -3.782 1.00 0.00 C ATOM 895 CG LEU A 52 7.942 -4.461 -2.750 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.933 -5.360 -3.467 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.902 -5.339 -1.951 1.00 0.00 C ATOM 0 H LEU A 52 8.993 -0.960 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 52 6.820 -2.492 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.818 -4.154 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.666 -3.334 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 52 7.439 -3.790 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.413 -5.979 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.210 -4.743 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.456 -6.000 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.338 -5.937 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.442 -5.999 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.613 -4.708 -1.417 1.00 0.00 H new ATOM 909 N ASN A 53 9.280 -0.709 -2.895 1.00 0.00 N ATOM 910 CA ASN A 53 9.824 0.071 -1.772 1.00 0.00 C ATOM 911 C ASN A 53 9.920 1.585 -2.040 1.00 0.00 C ATOM 912 O ASN A 53 10.229 2.354 -1.127 1.00 0.00 O ATOM 913 CB ASN A 53 11.202 -0.510 -1.398 1.00 0.00 C ATOM 914 CG ASN A 53 11.145 -1.964 -0.960 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.474 -2.327 -0.005 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.840 -2.845 -1.646 1.00 0.00 N ATOM 0 H ASN A 53 9.925 -0.757 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 53 9.123 -0.020 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.870 -0.422 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.634 0.087 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.819 -3.830 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.400 -2.544 -2.443 1.00 0.00 H new ATOM 923 N ASN A 54 9.675 2.019 -3.281 1.00 0.00 N ATOM 924 CA ASN A 54 9.815 3.423 -3.702 1.00 0.00 C ATOM 925 C ASN A 54 8.525 4.243 -3.492 1.00 0.00 C ATOM 926 O ASN A 54 8.558 5.475 -3.508 1.00 0.00 O ATOM 927 CB ASN A 54 10.317 3.457 -5.154 1.00 0.00 C ATOM 928 CG ASN A 54 11.595 2.654 -5.331 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.643 2.971 -4.785 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.532 1.556 -6.049 1.00 0.00 N ATOM 0 H ASN A 54 9.370 1.400 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 54 10.552 3.911 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.545 3.061 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.493 4.490 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.358 0.966 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.657 1.293 -6.503 1.00 0.00 H new ATOM 937 N LEU A 55 7.399 3.558 -3.255 1.00 0.00 N ATOM 938 CA LEU A 55 6.166 4.139 -2.715 1.00 0.00 C ATOM 939 C LEU A 55 6.341 4.622 -1.264 1.00 0.00 C ATOM 940 O LEU A 55 7.312 4.259 -0.594 1.00 0.00 O ATOM 941 CB LEU A 55 5.018 3.122 -2.874 1.00 0.00 C ATOM 942 CG LEU A 55 5.172 1.756 -2.182 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.739 1.773 -0.718 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.290 0.735 -2.897 1.00 0.00 C ATOM 0 H LEU A 55 7.320 2.558 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 55 5.913 5.034 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.105 3.586 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.873 2.944 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 55 6.231 1.503 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.872 0.780 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.346 2.492 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.689 2.059 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.393 -0.236 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.249 1.056 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.597 0.655 -3.940 1.00 0.00 H new ATOM 956 N ASN A 56 5.385 5.408 -0.760 1.00 0.00 N ATOM 957 CA ASN A 56 5.310 5.773 0.653 1.00 0.00 C ATOM 958 C ASN A 56 4.001 5.286 1.298 1.00 0.00 C ATOM 959 O ASN A 56 3.037 4.902 0.630 1.00 0.00 O ATOM 960 CB ASN A 56 5.627 7.275 0.837 1.00 0.00 C ATOM 961 CG ASN A 56 4.515 8.244 0.468 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.339 7.926 0.434 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.843 9.491 0.234 1.00 0.00 N ATOM 0 H ASN A 56 4.638 5.810 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 56 6.084 5.246 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.897 7.443 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.505 7.516 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.119 10.179 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.823 9.774 0.259 1.00 0.00 H new ATOM 970 N ALA A 57 3.987 5.301 2.626 1.00 0.00 N ATOM 971 CA ALA A 57 2.871 4.847 3.446 1.00 0.00 C ATOM 972 C ALA A 57 1.695 5.844 3.454 1.00 0.00 C ATOM 973 O ALA A 57 0.543 5.441 3.614 1.00 0.00 O ATOM 974 CB ALA A 57 3.456 4.625 4.839 1.00 0.00 C ATOM 0 H ALA A 57 4.775 5.639 3.178 1.00 0.00 H new ATOM 0 HA ALA A 57 2.436 3.931 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.671 4.281 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.244 3.874 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.871 5.561 5.213 1.00 0.00 H new ATOM 980 N THR A 58 1.982 7.131 3.238 1.00 0.00 N ATOM 981 CA THR A 58 1.015 8.240 3.220 1.00 0.00 C ATOM 982 C THR A 58 0.022 8.121 2.059 1.00 0.00 C ATOM 983 O THR A 58 -1.185 8.245 2.235 1.00 0.00 O ATOM 984 CB THR A 58 1.772 9.578 3.132 1.00 0.00 C ATOM 985 OG1 THR A 58 2.779 9.634 4.124 1.00 0.00 O ATOM 986 CG2 THR A 58 0.860 10.784 3.339 1.00 0.00 C ATOM 0 H THR A 58 2.936 7.446 3.063 1.00 0.00 H new ATOM 0 HA THR A 58 0.438 8.197 4.144 1.00 0.00 H new ATOM 0 HB THR A 58 2.196 9.622 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.256 10.488 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.446 11.700 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.084 10.789 2.574 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.398 10.726 4.325 1.00 0.00 H new ATOM 994 N GLU A 59 0.504 7.831 0.853 1.00 0.00 N ATOM 995 CA GLU A 59 -0.337 7.651 -0.339 1.00 0.00 C ATOM 996 C GLU A 59 -1.231 6.399 -0.264 1.00 0.00 C ATOM 997 O GLU A 59 -2.330 6.397 -0.826 1.00 0.00 O ATOM 998 CB GLU A 59 0.571 7.602 -1.579 1.00 0.00 C ATOM 999 CG GLU A 59 1.183 8.958 -1.965 1.00 0.00 C ATOM 1000 CD GLU A 59 0.114 9.954 -2.438 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.142 10.959 -1.736 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.523 9.707 -3.491 1.00 0.00 O ATOM 0 H GLU A 59 1.500 7.712 0.668 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.020 8.498 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.377 6.891 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.005 7.223 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.713 9.374 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.919 8.812 -2.756 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.802 5.368 0.472 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.642 4.228 0.866 1.00 0.00 C ATOM 1011 C LEU A 60 -2.715 4.639 1.891 1.00 0.00 C ATOM 1012 O LEU A 60 -3.906 4.479 1.626 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.763 3.071 1.394 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.403 2.020 0.330 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.486 2.589 -0.772 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.331 0.851 0.986 1.00 0.00 C ATOM 0 H LEU A 60 0.155 5.300 0.817 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.172 3.876 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.157 3.486 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.284 2.578 2.214 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.339 1.691 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.711 1.807 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.032 3.408 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.414 2.958 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.584 0.109 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.244 1.214 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.311 0.395 1.740 1.00 0.00 H new ATOM 1028 N SER A 61 -2.327 5.208 3.037 1.00 0.00 N ATOM 1029 CA SER A 61 -3.238 5.596 4.128 1.00 0.00 C ATOM 1030 C SER A 61 -4.294 6.629 3.712 1.00 0.00 C ATOM 1031 O SER A 61 -5.404 6.622 4.247 1.00 0.00 O ATOM 1032 CB SER A 61 -2.439 6.111 5.330 1.00 0.00 C ATOM 1033 OG SER A 61 -1.708 7.272 5.000 1.00 0.00 O ATOM 0 H SER A 61 -1.350 5.418 3.240 1.00 0.00 H new ATOM 0 HA SER A 61 -3.784 4.694 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.118 6.328 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.756 5.335 5.675 1.00 0.00 H new ATOM 0 HG SER A 61 -1.731 7.408 4.030 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.004 7.454 2.698 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.923 8.467 2.136 1.00 0.00 C ATOM 1041 C LYS A 62 -6.098 7.868 1.353 1.00 0.00 C ATOM 1042 O LYS A 62 -7.153 8.499 1.274 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.132 9.436 1.237 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.392 10.509 2.056 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.347 11.272 1.227 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.981 12.064 0.075 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.949 12.782 -0.713 1.00 0.00 N ATOM 0 H LYS A 62 -3.099 7.439 2.228 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.360 8.996 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.412 8.873 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.814 9.920 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.117 11.216 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.901 10.036 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.800 11.955 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.621 10.566 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.533 11.386 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.701 12.779 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.412 13.426 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.341 13.330 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.370 12.094 -1.235 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.925 6.671 0.775 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.910 6.012 -0.112 1.00 0.00 C ATOM 1063 C ARG A 63 -7.497 4.725 0.478 1.00 0.00 C ATOM 1064 O ARG A 63 -8.666 4.422 0.246 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.267 5.762 -1.486 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.817 7.062 -2.173 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.276 6.776 -3.578 1.00 0.00 C ATOM 1068 NE ARG A 63 -4.721 7.993 -4.202 1.00 0.00 N ATOM 1069 CZ ARG A 63 -3.494 8.462 -4.054 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -3.085 9.530 -4.672 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -2.606 7.914 -3.280 1.00 0.00 N ATOM 0 H ARG A 63 -5.079 6.117 0.911 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.759 6.687 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.408 5.102 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.980 5.244 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.656 7.755 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.047 7.548 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.503 6.010 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.075 6.378 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.346 8.525 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.718 10.033 -5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.131 9.865 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.841 7.077 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.674 8.321 -3.206 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.711 4.003 1.280 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.131 2.819 2.044 1.00 0.00 C ATOM 1087 C LEU A 64 -7.775 3.181 3.397 1.00 0.00 C ATOM 1088 O LEU A 64 -8.475 2.355 3.983 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.901 1.915 2.260 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.247 1.389 0.971 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -3.928 0.702 1.304 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.140 0.382 0.252 1.00 0.00 C ATOM 0 H LEU A 64 -5.728 4.233 1.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.897 2.297 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.155 2.472 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.198 1.064 2.873 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.085 2.247 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.469 0.331 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.257 1.415 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.113 -0.133 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.642 0.035 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.333 -0.467 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.084 0.857 -0.013 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.538 4.403 3.896 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.026 4.926 5.185 1.00 0.00 C ATOM 1106 C ASN A 65 -7.542 4.121 6.422 1.00 0.00 C ATOM 1107 O ASN A 65 -8.138 4.168 7.502 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.549 5.175 5.098 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.039 6.335 5.957 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.433 7.381 5.460 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.043 6.199 7.262 1.00 0.00 N ATOM 0 H ASN A 65 -6.975 5.087 3.390 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.560 5.894 5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.816 5.368 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.073 4.268 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.373 6.962 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.716 5.330 7.685 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.434 3.392 6.265 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.599 2.842 7.348 1.00 0.00 C ATOM 1120 C ILE A 66 -4.782 3.960 8.021 1.00 0.00 C ATOM 1121 O ILE A 66 -4.627 5.045 7.460 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.675 1.717 6.808 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -3.804 2.211 5.628 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.514 0.480 6.449 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.011 1.143 4.874 1.00 0.00 C ATOM 0 H ILE A 66 -6.074 3.156 5.340 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.253 2.404 8.102 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.976 1.428 7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.452 2.722 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.102 2.953 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.860 -0.306 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.034 0.123 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.243 0.745 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.441 1.612 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.327 0.645 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.698 0.410 4.451 1.00 0.00 H new ATOM 1137 N THR A 67 -4.217 3.698 9.202 1.00 0.00 N ATOM 1138 CA THR A 67 -3.184 4.570 9.797 1.00 0.00 C ATOM 1139 C THR A 67 -1.827 4.360 9.111 1.00 0.00 C ATOM 1140 O THR A 67 -1.573 3.304 8.525 1.00 0.00 O ATOM 1141 CB THR A 67 -3.112 4.416 11.326 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.239 5.391 11.852 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.615 3.052 11.805 1.00 0.00 C ATOM 0 H THR A 67 -4.454 2.887 9.773 1.00 0.00 H new ATOM 0 HA THR A 67 -3.474 5.605 9.617 1.00 0.00 H new ATOM 0 HB THR A 67 -4.137 4.531 11.678 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.192 5.297 12.826 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.597 3.034 12.895 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.284 2.272 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.610 2.876 11.422 1.00 0.00 H new ATOM 1151 N VAL A 68 -0.935 5.353 9.180 1.00 0.00 N ATOM 1152 CA VAL A 68 0.376 5.335 8.499 1.00 0.00 C ATOM 1153 C VAL A 68 1.226 4.146 8.951 1.00 0.00 C ATOM 1154 O VAL A 68 1.865 3.489 8.135 1.00 0.00 O ATOM 1155 CB VAL A 68 1.148 6.656 8.716 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.365 6.746 7.787 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.283 7.897 8.448 1.00 0.00 C ATOM 0 H VAL A 68 -1.099 6.205 9.716 1.00 0.00 H new ATOM 0 HA VAL A 68 0.176 5.228 7.433 1.00 0.00 H new ATOM 0 HB VAL A 68 1.454 6.643 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.888 7.686 7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.039 5.913 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.034 6.703 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.875 8.797 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.067 7.880 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.574 7.896 9.122 1.00 0.00 H new ATOM 1167 N ASP A 69 1.179 3.797 10.237 1.00 0.00 N ATOM 1168 CA ASP A 69 1.917 2.655 10.787 1.00 0.00 C ATOM 1169 C ASP A 69 1.371 1.293 10.330 1.00 0.00 C ATOM 1170 O ASP A 69 2.154 0.365 10.101 1.00 0.00 O ATOM 1171 CB ASP A 69 1.956 2.773 12.315 1.00 0.00 C ATOM 1172 CG ASP A 69 2.889 1.725 12.945 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.127 1.854 12.788 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.389 0.792 13.617 1.00 0.00 O ATOM 0 H ASP A 69 0.626 4.300 10.931 1.00 0.00 H new ATOM 0 HA ASP A 69 2.932 2.692 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.291 3.772 12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.949 2.651 12.715 1.00 0.00 H new ATOM 1179 N LYS A 70 0.056 1.187 10.083 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.517 0.012 9.419 1.00 0.00 C ATOM 1181 C LYS A 70 -0.072 -0.067 7.968 1.00 0.00 C ATOM 1182 O LYS A 70 0.230 -1.161 7.520 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.050 -0.039 9.533 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.500 -0.695 10.847 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.008 -0.988 10.829 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.409 -1.771 12.085 1.00 0.00 C ATOM 1187 NZ LYS A 70 -5.835 -2.194 12.037 1.00 0.00 N ATOM 0 H LYS A 70 -0.627 1.901 10.334 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.134 -0.864 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.453 0.972 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.459 -0.595 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.948 -1.622 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.264 -0.039 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.567 -0.054 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.264 -1.560 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.772 -2.650 12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.242 -1.154 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.070 -2.721 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.444 -1.354 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.989 -2.803 11.208 1.00 0.00 H new ATOM 1201 N ALA A 71 0.064 1.056 7.262 1.00 0.00 N ATOM 1202 CA ALA A 71 0.550 1.064 5.878 1.00 0.00 C ATOM 1203 C ALA A 71 2.026 0.634 5.804 1.00 0.00 C ATOM 1204 O ALA A 71 2.369 -0.273 5.045 1.00 0.00 O ATOM 1205 CB ALA A 71 0.294 2.448 5.264 1.00 0.00 C ATOM 0 H ALA A 71 -0.158 1.982 7.629 1.00 0.00 H new ATOM 0 HA ALA A 71 0.001 0.330 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.653 2.461 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.775 2.660 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.822 3.206 5.842 1.00 0.00 H new ATOM 1211 N LYS A 72 2.872 1.206 6.668 1.00 0.00 N ATOM 1212 CA LYS A 72 4.309 0.898 6.792 1.00 0.00 C ATOM 1213 C LYS A 72 4.574 -0.592 7.035 1.00 0.00 C ATOM 1214 O LYS A 72 5.463 -1.156 6.396 1.00 0.00 O ATOM 1215 CB LYS A 72 4.908 1.731 7.941 1.00 0.00 C ATOM 1216 CG LYS A 72 5.135 3.207 7.586 1.00 0.00 C ATOM 1217 CD LYS A 72 5.431 4.112 8.794 1.00 0.00 C ATOM 1218 CE LYS A 72 6.524 3.554 9.713 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.937 4.544 10.743 1.00 0.00 N ATOM 0 H LYS A 72 2.568 1.923 7.326 1.00 0.00 H new ATOM 0 HA LYS A 72 4.785 1.155 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.244 1.673 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.858 1.289 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.966 3.276 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.251 3.585 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.733 5.096 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.516 4.249 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.161 2.650 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.390 3.268 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.677 4.130 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.307 5.397 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.116 4.798 11.329 1.00 0.00 H new ATOM 1233 N THR A 73 3.800 -1.243 7.913 1.00 0.00 N ATOM 1234 CA THR A 73 3.953 -2.689 8.169 1.00 0.00 C ATOM 1235 C THR A 73 3.230 -3.552 7.130 1.00 0.00 C ATOM 1236 O THR A 73 3.785 -4.549 6.683 1.00 0.00 O ATOM 1237 CB THR A 73 3.595 -3.059 9.617 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.250 -4.261 9.961 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.104 -3.263 9.870 1.00 0.00 C ATOM 0 H THR A 73 3.063 -0.797 8.459 1.00 0.00 H new ATOM 0 HA THR A 73 5.012 -2.919 8.050 1.00 0.00 H new ATOM 0 HB THR A 73 3.914 -2.211 10.224 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.027 -4.502 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.945 -3.521 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.566 -2.344 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.735 -4.070 9.237 1.00 0.00 H new ATOM 1247 N TYR A 74 2.042 -3.159 6.659 1.00 0.00 N ATOM 1248 CA TYR A 74 1.262 -3.915 5.670 1.00 0.00 C ATOM 1249 C TYR A 74 2.047 -4.175 4.371 1.00 0.00 C ATOM 1250 O TYR A 74 2.000 -5.289 3.847 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.048 -3.166 5.385 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.778 -3.676 4.170 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.589 -3.017 2.943 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.537 -4.859 4.240 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.101 -3.578 1.766 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -2.065 -5.415 3.061 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.817 -4.794 1.819 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.228 -5.404 0.679 1.00 0.00 O ATOM 0 H TYR A 74 1.588 -2.296 6.957 1.00 0.00 H new ATOM 0 HA TYR A 74 1.041 -4.897 6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.701 -3.249 6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.170 -2.107 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.051 -2.081 2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.713 -5.337 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.948 -3.081 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.659 -6.316 3.106 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.257 -6.374 0.819 1.00 0.00 H new ATOM 1268 N ILE A 75 2.826 -3.186 3.909 1.00 0.00 N ATOM 1269 CA ILE A 75 3.753 -3.293 2.767 1.00 0.00 C ATOM 1270 C ILE A 75 4.636 -4.552 2.905 1.00 0.00 C ATOM 1271 O ILE A 75 4.473 -5.516 2.155 1.00 0.00 O ATOM 1272 CB ILE A 75 4.558 -1.969 2.656 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.664 -0.818 2.134 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.799 -2.087 1.750 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.220 0.579 2.463 1.00 0.00 C ATOM 0 H ILE A 75 2.830 -2.258 4.332 1.00 0.00 H new ATOM 0 HA ILE A 75 3.208 -3.422 1.832 1.00 0.00 H new ATOM 0 HB ILE A 75 4.902 -1.750 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.554 -0.913 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.668 -0.916 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.317 -1.128 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.470 -2.847 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.489 -2.369 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.547 1.341 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.304 0.692 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.204 0.695 2.009 1.00 0.00 H new ATOM 1287 N LYS A 76 5.512 -4.602 3.917 1.00 0.00 N ATOM 1288 CA LYS A 76 6.369 -5.767 4.211 1.00 0.00 C ATOM 1289 C LYS A 76 5.600 -7.027 4.632 1.00 0.00 C ATOM 1290 O LYS A 76 6.085 -8.129 4.400 1.00 0.00 O ATOM 1291 CB LYS A 76 7.457 -5.396 5.241 1.00 0.00 C ATOM 1292 CG LYS A 76 6.904 -4.826 6.560 1.00 0.00 C ATOM 1293 CD LYS A 76 7.965 -4.667 7.658 1.00 0.00 C ATOM 1294 CE LYS A 76 8.221 -6.009 8.358 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.232 -5.880 9.441 1.00 0.00 N ATOM 0 H LYS A 76 5.650 -3.827 4.565 1.00 0.00 H new ATOM 0 HA LYS A 76 6.847 -6.032 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.051 -6.283 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.130 -4.664 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.449 -3.855 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.112 -5.481 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.893 -4.294 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.634 -3.927 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.287 -6.386 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.562 -6.742 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.379 -6.806 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.130 -5.544 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.895 -5.200 10.152 1.00 0.00 H new ATOM 1309 N ASN A 77 4.410 -6.903 5.221 1.00 0.00 N ATOM 1310 CA ASN A 77 3.639 -8.050 5.709 1.00 0.00 C ATOM 1311 C ASN A 77 3.008 -8.874 4.571 1.00 0.00 C ATOM 1312 O ASN A 77 2.993 -10.106 4.633 1.00 0.00 O ATOM 1313 CB ASN A 77 2.596 -7.567 6.730 1.00 0.00 C ATOM 1314 CG ASN A 77 2.142 -8.699 7.630 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.096 -9.305 7.446 1.00 0.00 O ATOM 1316 ND2 ASN A 77 2.935 -9.021 8.629 1.00 0.00 N ATOM 0 H ASN A 77 3.952 -6.004 5.374 1.00 0.00 H new ATOM 0 HA ASN A 77 4.325 -8.736 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.020 -6.766 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.737 -7.149 6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.679 -9.782 9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.806 -8.510 8.774 1.00 0.00 H new ATOM 1420 N THR A 84 6.956 -13.063 -3.153 1.00 0.00 N ATOM 1421 CA THR A 84 7.269 -14.051 -2.099 1.00 0.00 C ATOM 1422 C THR A 84 8.635 -14.742 -2.281 1.00 0.00 C ATOM 1423 O THR A 84 8.791 -15.927 -1.988 1.00 0.00 O ATOM 1424 CB THR A 84 6.101 -15.042 -1.877 1.00 0.00 C ATOM 1425 OG1 THR A 84 4.850 -14.428 -2.136 1.00 0.00 O ATOM 1426 CG2 THR A 84 6.035 -15.511 -0.422 1.00 0.00 C ATOM 0 HA THR A 84 7.377 -13.486 -1.173 1.00 0.00 H new ATOM 0 HB THR A 84 6.287 -15.875 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.991 -13.595 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.204 -16.206 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.967 -16.011 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.887 -14.651 0.231 1.00 0.00 H new ATOM 1434 N ASN A 85 9.624 -14.015 -2.828 1.00 0.00 N ATOM 1435 CA ASN A 85 10.956 -14.502 -3.231 1.00 0.00 C ATOM 1436 C ASN A 85 10.962 -15.646 -4.279 1.00 0.00 C ATOM 1437 O ASN A 85 12.023 -16.145 -4.641 1.00 0.00 O ATOM 1438 CB ASN A 85 11.778 -14.790 -1.951 1.00 0.00 C ATOM 1439 CG ASN A 85 13.249 -15.085 -2.197 1.00 0.00 C ATOM 1440 OD1 ASN A 85 13.710 -16.212 -2.072 1.00 0.00 O ATOM 1441 ND2 ASN A 85 14.039 -14.089 -2.532 1.00 0.00 N ATOM 0 H ASN A 85 9.510 -13.018 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 85 11.448 -13.711 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.700 -13.932 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.332 -15.639 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.033 -14.257 -2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.658 -13.149 -2.637 1.00 0.00 H new ATOM 1448 N ASN A 86 9.809 -16.051 -4.823 1.00 0.00 N ATOM 1449 CA ASN A 86 9.688 -17.207 -5.726 1.00 0.00 C ATOM 1450 C ASN A 86 10.114 -16.904 -7.183 1.00 0.00 C ATOM 1451 O ASN A 86 10.312 -17.823 -7.978 1.00 0.00 O ATOM 1452 CB ASN A 86 8.273 -17.812 -5.580 1.00 0.00 C ATOM 1453 CG ASN A 86 7.343 -17.511 -6.743 1.00 0.00 C ATOM 1454 OD1 ASN A 86 6.946 -18.382 -7.502 1.00 0.00 O ATOM 1455 ND2 ASN A 86 6.980 -16.264 -6.921 1.00 0.00 N ATOM 0 H ASN A 86 8.921 -15.581 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 86 10.408 -17.968 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.362 -18.893 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.822 -17.435 -4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.364 -16.018 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.314 -15.540 -6.285 1.00 0.00 H new ATOM 1462 N PHE A 87 10.322 -15.625 -7.522 1.00 0.00 N ATOM 1463 CA PHE A 87 10.656 -15.101 -8.862 1.00 0.00 C ATOM 1464 C PHE A 87 12.060 -15.489 -9.396 1.00 0.00 C ATOM 1465 O PHE A 87 12.514 -14.984 -10.424 1.00 0.00 O ATOM 1466 CB PHE A 87 10.433 -13.578 -8.847 1.00 0.00 C ATOM 1467 CG PHE A 87 11.422 -12.788 -8.004 1.00 0.00 C ATOM 1468 CD1 PHE A 87 12.614 -12.312 -8.583 1.00 0.00 C ATOM 1469 CD2 PHE A 87 11.150 -12.512 -6.649 1.00 0.00 C ATOM 1470 CE1 PHE A 87 13.540 -11.589 -7.809 1.00 0.00 C ATOM 1471 CE2 PHE A 87 12.070 -11.776 -5.879 1.00 0.00 C ATOM 1472 CZ PHE A 87 13.268 -11.321 -6.456 1.00 0.00 C ATOM 0 H PHE A 87 10.259 -14.879 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 87 9.989 -15.581 -9.578 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.478 -13.210 -9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.426 -13.378 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.818 -12.503 -9.626 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.234 -12.866 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 87 14.460 -11.240 -8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.855 -11.560 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.978 -10.766 -5.861 1.00 0.00 H new ATOM 1482 N LYS A 88 12.747 -16.399 -8.698 1.00 0.00 N ATOM 1483 CA LYS A 88 14.139 -16.844 -8.887 1.00 0.00 C ATOM 1484 C LYS A 88 14.291 -18.067 -9.804 1.00 0.00 C ATOM 1485 O LYS A 88 15.411 -18.459 -10.132 1.00 0.00 O ATOM 1486 CB LYS A 88 14.737 -17.097 -7.488 1.00 0.00 C ATOM 1487 CG LYS A 88 13.970 -18.158 -6.671 1.00 0.00 C ATOM 1488 CD LYS A 88 14.423 -18.206 -5.207 1.00 0.00 C ATOM 1489 CE LYS A 88 13.371 -18.955 -4.377 1.00 0.00 C ATOM 1490 NZ LYS A 88 13.713 -18.936 -2.932 1.00 0.00 N ATOM 0 H LYS A 88 12.309 -16.888 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 88 14.685 -16.059 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.774 -17.414 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.748 -16.160 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.902 -17.942 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.115 -19.138 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.388 -18.706 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.555 -17.195 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.393 -18.499 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.298 -19.986 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.003 -19.478 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.651 -19.363 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.725 -17.954 -2.591 1.00 0.00 H new ATOM 1504 N THR A 89 13.165 -18.652 -10.215 1.00 0.00 N ATOM 1505 CA THR A 89 13.064 -19.934 -10.923 1.00 0.00 C ATOM 1506 C THR A 89 11.976 -19.869 -11.995 1.00 0.00 C ATOM 1507 O THR A 89 12.211 -20.257 -13.138 1.00 0.00 O ATOM 1508 CB THR A 89 12.742 -21.044 -9.907 1.00 0.00 C ATOM 1509 OG1 THR A 89 13.795 -21.172 -8.973 1.00 0.00 O ATOM 1510 CG2 THR A 89 12.555 -22.403 -10.566 1.00 0.00 C ATOM 0 H THR A 89 12.252 -18.225 -10.056 1.00 0.00 H new ATOM 0 HA THR A 89 14.013 -20.151 -11.414 1.00 0.00 H new ATOM 0 HB THR A 89 11.811 -20.750 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.578 -21.880 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 89 12.330 -23.149 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.731 -22.352 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.470 -22.683 -11.089 1.00 0.00 H new ATOM 1518 N ILE A 90 10.799 -19.325 -11.662 1.00 0.00 N ATOM 1519 CA ILE A 90 9.716 -19.078 -12.621 1.00 0.00 C ATOM 1520 C ILE A 90 10.136 -18.045 -13.680 1.00 0.00 C ATOM 1521 O ILE A 90 11.161 -17.380 -13.534 1.00 0.00 O ATOM 1522 CB ILE A 90 8.421 -18.679 -11.884 1.00 0.00 C ATOM 1523 CG1 ILE A 90 8.563 -17.356 -11.105 1.00 0.00 C ATOM 1524 CG2 ILE A 90 7.961 -19.825 -10.962 1.00 0.00 C ATOM 1525 CD1 ILE A 90 7.210 -16.738 -10.747 1.00 0.00 C ATOM 0 H ILE A 90 10.570 -19.041 -10.709 1.00 0.00 H new ATOM 0 HA ILE A 90 9.508 -20.003 -13.158 1.00 0.00 H new ATOM 0 HB ILE A 90 7.656 -18.505 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.130 -17.535 -10.191 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.136 -16.647 -11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.046 -19.532 -10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.772 -20.718 -11.558 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.739 -20.036 -10.228 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.368 -15.809 -10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.652 -16.531 -11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.645 -17.433 -10.126 1.00 0.00 H new ATOM 1537 N LYS A 91 9.340 -17.911 -14.747 1.00 0.00 N ATOM 1538 CA LYS A 91 9.567 -17.030 -15.915 1.00 0.00 C ATOM 1539 C LYS A 91 10.732 -17.420 -16.847 1.00 0.00 C ATOM 1540 O LYS A 91 10.751 -16.936 -17.980 1.00 0.00 O ATOM 1541 CB LYS A 91 9.673 -15.544 -15.486 1.00 0.00 C ATOM 1542 CG LYS A 91 8.577 -14.968 -14.565 1.00 0.00 C ATOM 1543 CD LYS A 91 7.246 -14.618 -15.252 1.00 0.00 C ATOM 1544 CE LYS A 91 6.370 -15.840 -15.561 1.00 0.00 C ATOM 1545 NZ LYS A 91 5.056 -15.435 -16.128 1.00 0.00 N ATOM 0 H LYS A 91 8.472 -18.440 -14.830 1.00 0.00 H new ATOM 0 HA LYS A 91 8.677 -17.177 -16.527 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.632 -15.410 -14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.699 -14.938 -16.391 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.377 -15.690 -13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.965 -14.069 -14.087 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.687 -13.934 -14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.455 -14.088 -16.181 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.887 -16.492 -16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.213 -16.417 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.487 -16.283 -16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.554 -14.833 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.207 -14.906 -17.010 1.00 0.00 H new ATOM 1559 N MET A 92 11.656 -18.305 -16.445 1.00 0.00 N ATOM 1560 CA MET A 92 12.760 -18.779 -17.309 1.00 0.00 C ATOM 1561 C MET A 92 13.088 -20.283 -17.174 1.00 0.00 C ATOM 1562 O MET A 92 14.183 -20.715 -17.543 1.00 0.00 O ATOM 1563 CB MET A 92 14.002 -17.880 -17.138 1.00 0.00 C ATOM 1564 CG MET A 92 14.539 -17.820 -15.701 1.00 0.00 C ATOM 1565 SD MET A 92 14.030 -16.342 -14.779 1.00 0.00 S ATOM 1566 CE MET A 92 14.632 -16.798 -13.132 1.00 0.00 C ATOM 0 H MET A 92 11.663 -18.716 -15.511 1.00 0.00 H new ATOM 0 HA MET A 92 12.404 -18.687 -18.335 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.793 -18.242 -17.795 1.00 0.00 H new ATOM 0 HB3 MET A 92 13.754 -16.870 -17.464 1.00 0.00 H new ATOM 0 HG2 MET A 92 14.202 -18.705 -15.162 1.00 0.00 H new ATOM 0 HG3 MET A 92 15.628 -17.860 -15.730 1.00 0.00 H new ATOM 0 HE1 MET A 92 14.404 -15.998 -12.427 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.144 -17.717 -12.808 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.710 -16.953 -13.169 1.00 0.00 H new ATOM 1576 N PHE A 93 12.157 -21.090 -16.648 1.00 0.00 N ATOM 1577 CA PHE A 93 12.375 -22.527 -16.394 1.00 0.00 C ATOM 1578 C PHE A 93 11.154 -23.432 -16.656 1.00 0.00 C ATOM 1579 O PHE A 93 11.316 -24.624 -16.922 1.00 0.00 O ATOM 1580 CB PHE A 93 12.847 -22.674 -14.941 1.00 0.00 C ATOM 1581 CG PHE A 93 13.555 -23.974 -14.639 1.00 0.00 C ATOM 1582 CD1 PHE A 93 14.913 -24.113 -14.975 1.00 0.00 C ATOM 1583 CD2 PHE A 93 12.869 -25.034 -14.018 1.00 0.00 C ATOM 1584 CE1 PHE A 93 15.589 -25.314 -14.694 1.00 0.00 C ATOM 1585 CE2 PHE A 93 13.545 -26.236 -13.737 1.00 0.00 C ATOM 1586 CZ PHE A 93 14.904 -26.376 -14.075 1.00 0.00 C ATOM 0 H PHE A 93 11.226 -20.766 -16.384 1.00 0.00 H new ATOM 0 HA PHE A 93 13.122 -22.871 -17.109 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.517 -21.847 -14.705 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.984 -22.584 -14.281 1.00 0.00 H new ATOM 0 HD1 PHE A 93 15.438 -23.297 -15.449 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.826 -24.926 -13.758 1.00 0.00 H new ATOM 0 HE1 PHE A 93 16.632 -25.421 -14.953 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.020 -27.052 -13.262 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.421 -27.299 -13.859 1.00 0.00 H new ATOM 1596 N GLU A 94 9.930 -22.896 -16.591 1.00 0.00 N ATOM 1597 CA GLU A 94 8.691 -23.663 -16.793 1.00 0.00 C ATOM 1598 C GLU A 94 8.353 -23.818 -18.290 1.00 0.00 C ATOM 1599 O GLU A 94 8.313 -22.834 -19.032 1.00 0.00 O ATOM 1600 CB GLU A 94 7.522 -23.002 -16.045 1.00 0.00 C ATOM 1601 CG GLU A 94 7.732 -22.924 -14.526 1.00 0.00 C ATOM 1602 CD GLU A 94 6.498 -22.306 -13.843 1.00 0.00 C ATOM 1603 OE1 GLU A 94 5.713 -23.050 -13.204 1.00 0.00 O ATOM 1604 OE2 GLU A 94 6.305 -21.070 -13.944 1.00 0.00 O ATOM 0 H GLU A 94 9.768 -21.908 -16.395 1.00 0.00 H new ATOM 0 HA GLU A 94 8.852 -24.661 -16.386 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.374 -21.995 -16.435 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.608 -23.560 -16.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.915 -23.921 -14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.616 -22.325 -14.305 1.00 0.00 H new