USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.846 K(o=0.85,f=0.18) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.216 K(o=0.22,f=-6.7!) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 0.924 (180deg=0.221) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.739) 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= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 54 ASN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.225 K(o=0.22,f=-9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -43:sc= 1.23 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= 0.324 X(o=0.32,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 -10:sc= 0.409 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -131:sc= 0.00609 (180deg=0) 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 -171:sc=-0.00857 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.780 -6.148 2.964 1.00 0.00 N ATOM 624 CA LEU A 35 -8.745 -5.876 1.533 1.00 0.00 C ATOM 625 C LEU A 35 -9.839 -6.667 0.811 1.00 0.00 C ATOM 626 O LEU A 35 -9.906 -7.897 0.878 1.00 0.00 O ATOM 627 CB LEU A 35 -7.358 -6.170 0.941 1.00 0.00 C ATOM 628 CG LEU A 35 -6.296 -5.126 1.335 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.501 -5.522 2.579 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.321 -4.935 0.175 1.00 0.00 C ATOM 0 HA LEU A 35 -8.940 -4.814 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.030 -7.155 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.435 -6.208 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.829 -4.203 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.769 -4.747 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.180 -5.637 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.986 -6.465 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.568 -4.197 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.834 -5.884 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.865 -4.588 -0.704 1.00 0.00 H new ATOM 642 N SER A 36 -10.654 -5.919 0.080 1.00 0.00 N ATOM 643 CA SER A 36 -11.803 -6.404 -0.699 1.00 0.00 C ATOM 644 C SER A 36 -11.501 -6.430 -2.183 1.00 0.00 C ATOM 645 O SER A 36 -11.257 -7.494 -2.756 1.00 0.00 O ATOM 646 CB SER A 36 -13.089 -5.634 -0.358 1.00 0.00 C ATOM 647 OG SER A 36 -13.428 -5.821 1.009 1.00 0.00 O ATOM 0 H SER A 36 -10.533 -4.909 0.005 1.00 0.00 H new ATOM 0 HA SER A 36 -11.986 -7.439 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.951 -4.573 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.906 -5.978 -0.993 1.00 0.00 H new ATOM 0 HG SER A 36 -14.248 -5.324 1.214 1.00 0.00 H new ATOM 653 N GLU A 37 -11.487 -5.264 -2.814 1.00 0.00 N ATOM 654 CA GLU A 37 -11.341 -5.153 -4.260 1.00 0.00 C ATOM 655 C GLU A 37 -10.845 -3.775 -4.682 1.00 0.00 C ATOM 656 O GLU A 37 -9.952 -3.665 -5.513 1.00 0.00 O ATOM 657 CB GLU A 37 -12.702 -5.462 -4.905 1.00 0.00 C ATOM 658 CG GLU A 37 -12.464 -6.333 -6.134 1.00 0.00 C ATOM 659 CD GLU A 37 -13.691 -6.374 -7.061 1.00 0.00 C ATOM 660 OE1 GLU A 37 -14.614 -7.193 -6.833 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.726 -5.580 -8.034 1.00 0.00 O ATOM 0 H GLU A 37 -11.577 -4.367 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.589 -5.867 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.350 -5.976 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.207 -4.538 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.605 -5.952 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.216 -7.346 -5.817 1.00 0.00 H new ATOM 668 N GLU A 38 -11.354 -2.723 -4.045 1.00 0.00 N ATOM 669 CA GLU A 38 -10.841 -1.361 -4.243 1.00 0.00 C ATOM 670 C GLU A 38 -9.418 -1.225 -3.683 1.00 0.00 C ATOM 671 O GLU A 38 -8.603 -0.494 -4.239 1.00 0.00 O ATOM 672 CB GLU A 38 -11.784 -0.338 -3.590 1.00 0.00 C ATOM 673 CG GLU A 38 -13.153 -0.289 -4.280 1.00 0.00 C ATOM 674 CD GLU A 38 -14.050 0.798 -3.658 1.00 0.00 C ATOM 675 OE1 GLU A 38 -14.750 0.514 -2.654 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.071 1.944 -4.172 1.00 0.00 O ATOM 0 H GLU A 38 -12.127 -2.784 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.799 -1.161 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.918 -0.590 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.326 0.650 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.021 -0.091 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.641 -1.260 -4.195 1.00 0.00 H new ATOM 683 N GLN A 39 -9.089 -1.969 -2.621 1.00 0.00 N ATOM 684 CA GLN A 39 -7.834 -1.817 -1.881 1.00 0.00 C ATOM 685 C GLN A 39 -6.628 -2.314 -2.687 1.00 0.00 C ATOM 686 O GLN A 39 -5.615 -1.629 -2.808 1.00 0.00 O ATOM 687 CB GLN A 39 -7.939 -2.543 -0.527 1.00 0.00 C ATOM 688 CG GLN A 39 -8.926 -1.888 0.454 1.00 0.00 C ATOM 689 CD GLN A 39 -10.394 -2.065 0.078 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.798 -3.035 -0.557 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.235 -1.118 0.420 1.00 0.00 N ATOM 0 H GLN A 39 -9.694 -2.701 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.670 -0.754 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.245 -3.575 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.952 -2.577 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.764 -2.306 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.705 -0.823 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.906 -0.310 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.218 -1.190 0.158 1.00 0.00 H new ATOM 700 N LYS A 40 -6.739 -3.478 -3.327 1.00 0.00 N ATOM 701 CA LYS A 40 -5.681 -4.007 -4.206 1.00 0.00 C ATOM 702 C LYS A 40 -5.553 -3.229 -5.527 1.00 0.00 C ATOM 703 O LYS A 40 -4.449 -3.138 -6.063 1.00 0.00 O ATOM 704 CB LYS A 40 -5.850 -5.527 -4.356 1.00 0.00 C ATOM 705 CG LYS A 40 -7.179 -5.918 -5.024 1.00 0.00 C ATOM 706 CD LYS A 40 -7.681 -7.326 -4.654 1.00 0.00 C ATOM 707 CE LYS A 40 -7.931 -7.524 -3.142 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.697 -8.770 -2.870 1.00 0.00 N ATOM 0 H LYS A 40 -7.558 -4.082 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.710 -3.845 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.023 -5.923 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.793 -5.993 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.940 -5.189 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.060 -5.860 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.606 -7.525 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.951 -8.062 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.976 -7.562 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.478 -6.667 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.369 -9.191 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.710 -8.546 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.548 -9.446 -3.646 1.00 0.00 H new ATOM 722 N LYS A 41 -6.614 -2.528 -5.954 1.00 0.00 N ATOM 723 CA LYS A 41 -6.576 -1.483 -7.008 1.00 0.00 C ATOM 724 C LYS A 41 -5.868 -0.185 -6.577 1.00 0.00 C ATOM 725 O LYS A 41 -5.768 0.747 -7.373 1.00 0.00 O ATOM 726 CB LYS A 41 -7.992 -1.198 -7.548 1.00 0.00 C ATOM 727 CG LYS A 41 -8.646 -2.433 -8.181 1.00 0.00 C ATOM 728 CD LYS A 41 -10.131 -2.189 -8.489 1.00 0.00 C ATOM 729 CE LYS A 41 -10.853 -3.525 -8.704 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.313 -3.338 -8.905 1.00 0.00 N ATOM 0 H LYS A 41 -7.549 -2.670 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.966 -1.891 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.620 -0.837 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.940 -0.400 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.121 -2.693 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.548 -3.284 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.596 -1.644 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.228 -1.567 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.429 -4.032 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.685 -4.172 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.824 -4.158 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.623 -2.475 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.515 -3.250 -9.921 1.00 0.00 H new ATOM 744 N ILE A 42 -5.344 -0.132 -5.348 1.00 0.00 N ATOM 745 CA ILE A 42 -4.438 0.908 -4.835 1.00 0.00 C ATOM 746 C ILE A 42 -3.062 0.305 -4.512 1.00 0.00 C ATOM 747 O ILE A 42 -2.061 0.874 -4.931 1.00 0.00 O ATOM 748 CB ILE A 42 -5.091 1.614 -3.625 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.361 2.381 -4.063 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.147 2.569 -2.868 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.457 2.291 -3.003 1.00 0.00 C ATOM 0 H ILE A 42 -5.548 -0.846 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.269 1.668 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.350 0.816 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.112 3.427 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.728 1.973 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.682 3.024 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.291 2.010 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.800 3.350 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.336 2.840 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.722 1.246 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.096 2.723 -2.069 1.00 0.00 H new ATOM 763 N VAL A 43 -2.977 -0.854 -3.840 1.00 0.00 N ATOM 764 CA VAL A 43 -1.689 -1.482 -3.466 1.00 0.00 C ATOM 765 C VAL A 43 -0.965 -2.078 -4.679 1.00 0.00 C ATOM 766 O VAL A 43 0.132 -1.639 -5.024 1.00 0.00 O ATOM 767 CB VAL A 43 -1.845 -2.560 -2.371 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.475 -3.125 -1.959 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.529 -2.029 -1.106 1.00 0.00 C ATOM 0 H VAL A 43 -3.794 -1.385 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.081 -0.674 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.471 -3.336 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.611 -3.882 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.009 -3.574 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.149 -2.320 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.611 -2.831 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.938 -1.214 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.525 -1.664 -1.357 1.00 0.00 H new ATOM 779 N ALA A 44 -1.566 -3.068 -5.347 1.00 0.00 N ATOM 780 CA ALA A 44 -0.935 -3.748 -6.483 1.00 0.00 C ATOM 781 C ALA A 44 -0.789 -2.795 -7.685 1.00 0.00 C ATOM 782 O ALA A 44 0.217 -2.828 -8.396 1.00 0.00 O ATOM 783 CB ALA A 44 -1.739 -5.006 -6.829 1.00 0.00 C ATOM 0 H ALA A 44 -2.496 -3.418 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 44 0.075 -4.055 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.273 -5.515 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.758 -5.674 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.759 -4.725 -7.092 1.00 0.00 H new ATOM 789 N ASP A 45 -1.747 -1.876 -7.836 1.00 0.00 N ATOM 790 CA ASP A 45 -1.673 -0.751 -8.779 1.00 0.00 C ATOM 791 C ASP A 45 -0.499 0.225 -8.520 1.00 0.00 C ATOM 792 O ASP A 45 -0.055 0.896 -9.450 1.00 0.00 O ATOM 793 CB ASP A 45 -3.010 -0.005 -8.729 1.00 0.00 C ATOM 794 CG ASP A 45 -3.139 1.049 -9.845 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.077 2.266 -9.550 1.00 0.00 O ATOM 796 OD2 ASP A 45 -3.339 0.656 -11.021 1.00 0.00 O ATOM 0 H ASP A 45 -2.613 -1.891 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.479 -1.165 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.826 -0.722 -8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.115 0.482 -7.760 1.00 0.00 H new ATOM 801 N TYR A 46 0.041 0.297 -7.294 1.00 0.00 N ATOM 802 CA TYR A 46 1.253 1.073 -6.980 1.00 0.00 C ATOM 803 C TYR A 46 2.527 0.261 -7.277 1.00 0.00 C ATOM 804 O TYR A 46 3.488 0.767 -7.863 1.00 0.00 O ATOM 805 CB TYR A 46 1.208 1.547 -5.511 1.00 0.00 C ATOM 806 CG TYR A 46 1.890 2.865 -5.179 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.444 3.610 -4.069 1.00 0.00 C ATOM 808 CD2 TYR A 46 2.939 3.370 -5.967 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.015 4.868 -3.775 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.520 4.615 -5.684 1.00 0.00 C ATOM 811 CZ TYR A 46 3.054 5.377 -4.590 1.00 0.00 C ATOM 812 OH TYR A 46 3.636 6.573 -4.304 1.00 0.00 O ATOM 0 H TYR A 46 -0.353 -0.185 -6.486 1.00 0.00 H new ATOM 0 HA TYR A 46 1.282 1.953 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.162 1.625 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.658 0.770 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.660 3.216 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.303 2.791 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.660 5.440 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.322 4.990 -6.302 1.00 0.00 H new ATOM 0 HH TYR A 46 4.331 6.766 -4.968 1.00 0.00 H new ATOM 822 N ILE A 47 2.526 -1.033 -6.948 1.00 0.00 N ATOM 823 CA ILE A 47 3.644 -1.948 -7.235 1.00 0.00 C ATOM 824 C ILE A 47 3.980 -1.975 -8.739 1.00 0.00 C ATOM 825 O ILE A 47 5.155 -1.986 -9.109 1.00 0.00 O ATOM 826 CB ILE A 47 3.331 -3.332 -6.609 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.865 -3.471 -5.164 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.918 -4.507 -7.396 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.624 -2.265 -4.252 1.00 0.00 C ATOM 0 H ILE A 47 1.745 -1.483 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 47 4.562 -1.591 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 47 2.242 -3.373 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.404 -4.347 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.937 -3.662 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.659 -5.443 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.511 -4.508 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.003 -4.409 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.037 -2.468 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.110 -1.386 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.553 -2.082 -4.167 1.00 0.00 H new ATOM 841 N SER A 48 2.980 -1.865 -9.618 1.00 0.00 N ATOM 842 CA SER A 48 3.193 -1.770 -11.071 1.00 0.00 C ATOM 843 C SER A 48 3.667 -0.391 -11.583 1.00 0.00 C ATOM 844 O SER A 48 4.005 -0.283 -12.765 1.00 0.00 O ATOM 845 CB SER A 48 1.952 -2.261 -11.826 1.00 0.00 C ATOM 846 OG SER A 48 0.814 -1.470 -11.530 1.00 0.00 O ATOM 0 H SER A 48 1.998 -1.839 -9.345 1.00 0.00 H new ATOM 0 HA SER A 48 4.034 -2.430 -11.284 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.144 -2.236 -12.899 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.752 -3.300 -11.562 1.00 0.00 H new ATOM 0 HG SER A 48 0.041 -1.809 -12.029 1.00 0.00 H new ATOM 852 N GLU A 49 3.758 0.651 -10.740 1.00 0.00 N ATOM 853 CA GLU A 49 4.258 1.982 -11.128 1.00 0.00 C ATOM 854 C GLU A 49 5.725 2.182 -10.736 1.00 0.00 C ATOM 855 O GLU A 49 6.553 2.541 -11.575 1.00 0.00 O ATOM 856 CB GLU A 49 3.416 3.087 -10.467 1.00 0.00 C ATOM 857 CG GLU A 49 1.978 3.145 -10.972 1.00 0.00 C ATOM 858 CD GLU A 49 1.872 3.858 -12.335 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.993 3.194 -13.394 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.669 5.097 -12.361 1.00 0.00 O ATOM 0 H GLU A 49 3.484 0.593 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 49 4.176 2.044 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.407 2.929 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.893 4.051 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.584 2.133 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.358 3.665 -10.242 1.00 0.00 H new ATOM 867 N VAL A 50 6.035 1.969 -9.450 1.00 0.00 N ATOM 868 CA VAL A 50 7.313 2.393 -8.834 1.00 0.00 C ATOM 869 C VAL A 50 8.199 1.239 -8.349 1.00 0.00 C ATOM 870 O VAL A 50 9.389 1.443 -8.119 1.00 0.00 O ATOM 871 CB VAL A 50 7.074 3.439 -7.726 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.248 4.625 -8.236 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.427 2.830 -6.480 1.00 0.00 C ATOM 0 H VAL A 50 5.408 1.496 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 50 7.884 2.861 -9.636 1.00 0.00 H new ATOM 0 HB VAL A 50 8.058 3.808 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.101 5.340 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.776 5.110 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.279 4.270 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.280 3.607 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.464 2.395 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.076 2.054 -6.076 1.00 0.00 H new ATOM 883 N GLY A 51 7.654 0.028 -8.202 1.00 0.00 N ATOM 884 CA GLY A 51 8.396 -1.221 -8.000 1.00 0.00 C ATOM 885 C GLY A 51 7.827 -2.030 -6.839 1.00 0.00 C ATOM 886 O GLY A 51 7.088 -2.988 -7.043 1.00 0.00 O ATOM 0 H GLY A 51 6.644 -0.115 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.361 -1.817 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.445 -0.995 -7.807 1.00 0.00 H new ATOM 890 N LEU A 52 8.175 -1.627 -5.613 1.00 0.00 N ATOM 891 CA LEU A 52 7.642 -2.188 -4.360 1.00 0.00 C ATOM 892 C LEU A 52 7.963 -1.302 -3.146 1.00 0.00 C ATOM 893 O LEU A 52 7.119 -1.034 -2.295 1.00 0.00 O ATOM 894 CB LEU A 52 8.248 -3.596 -4.157 1.00 0.00 C ATOM 895 CG LEU A 52 7.628 -4.318 -2.948 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.278 -5.760 -3.315 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.553 -4.333 -1.734 1.00 0.00 C ATOM 0 H LEU A 52 8.853 -0.882 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 52 6.556 -2.241 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.091 -4.192 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.325 -3.511 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 52 6.730 -3.761 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.840 -6.259 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.562 -5.763 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.182 -6.288 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.065 -4.855 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.480 -4.846 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.775 -3.309 -1.433 1.00 0.00 H new ATOM 909 N ASN A 53 9.216 -0.861 -3.094 1.00 0.00 N ATOM 910 CA ASN A 53 9.833 -0.126 -1.979 1.00 0.00 C ATOM 911 C ASN A 53 9.854 1.404 -2.160 1.00 0.00 C ATOM 912 O ASN A 53 10.107 2.131 -1.199 1.00 0.00 O ATOM 913 CB ASN A 53 11.261 -0.665 -1.760 1.00 0.00 C ATOM 914 CG ASN A 53 11.294 -2.045 -1.126 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.904 -2.235 0.019 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.759 -3.049 -1.834 1.00 0.00 N ATOM 0 H ASN A 53 9.867 -1.011 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 53 9.210 -0.298 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.779 -0.701 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.811 0.031 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.795 -3.985 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.084 -2.893 -2.788 1.00 0.00 H new ATOM 923 N ASN A 54 9.615 1.900 -3.380 1.00 0.00 N ATOM 924 CA ASN A 54 9.779 3.320 -3.723 1.00 0.00 C ATOM 925 C ASN A 54 8.516 4.166 -3.449 1.00 0.00 C ATOM 926 O ASN A 54 8.594 5.395 -3.376 1.00 0.00 O ATOM 927 CB ASN A 54 10.271 3.428 -5.176 1.00 0.00 C ATOM 928 CG ASN A 54 11.531 2.610 -5.403 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.585 2.868 -4.839 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.443 1.557 -6.184 1.00 0.00 N ATOM 0 H ASN A 54 9.301 1.325 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 54 10.532 3.750 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.488 3.086 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.466 4.473 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.254 0.954 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.563 1.343 -6.654 1.00 0.00 H new ATOM 937 N LEU A 55 7.366 3.511 -3.258 1.00 0.00 N ATOM 938 CA LEU A 55 6.148 4.100 -2.686 1.00 0.00 C ATOM 939 C LEU A 55 6.321 4.459 -1.199 1.00 0.00 C ATOM 940 O LEU A 55 7.250 3.980 -0.542 1.00 0.00 O ATOM 941 CB LEU A 55 4.973 3.134 -2.919 1.00 0.00 C ATOM 942 CG LEU A 55 5.079 1.757 -2.236 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.354 1.712 -0.892 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.443 0.696 -3.129 1.00 0.00 C ATOM 0 H LEU A 55 7.252 2.528 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 55 5.937 5.043 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.059 3.618 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.866 2.977 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 55 6.140 1.570 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.460 0.719 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.787 2.453 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.297 1.931 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.518 -0.278 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.393 0.940 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.963 0.667 -4.087 1.00 0.00 H new ATOM 956 N ASN A 56 5.406 5.264 -0.651 1.00 0.00 N ATOM 957 CA ASN A 56 5.355 5.575 0.777 1.00 0.00 C ATOM 958 C ASN A 56 4.028 5.128 1.419 1.00 0.00 C ATOM 959 O ASN A 56 3.063 4.750 0.750 1.00 0.00 O ATOM 960 CB ASN A 56 5.728 7.058 1.003 1.00 0.00 C ATOM 961 CG ASN A 56 4.647 8.072 0.657 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.458 7.806 0.671 1.00 0.00 O ATOM 963 ND2 ASN A 56 5.021 9.296 0.385 1.00 0.00 N ATOM 0 H ASN A 56 4.673 5.722 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 56 6.106 4.989 1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.001 7.189 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.615 7.284 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.321 10.011 0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.013 9.535 0.369 1.00 0.00 H new ATOM 970 N ALA A 57 4.003 5.180 2.747 1.00 0.00 N ATOM 971 CA ALA A 57 2.868 4.787 3.570 1.00 0.00 C ATOM 972 C ALA A 57 1.781 5.876 3.648 1.00 0.00 C ATOM 973 O ALA A 57 0.607 5.563 3.833 1.00 0.00 O ATOM 974 CB ALA A 57 3.445 4.467 4.945 1.00 0.00 C ATOM 0 H ALA A 57 4.798 5.507 3.296 1.00 0.00 H new ATOM 0 HA ALA A 57 2.360 3.926 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.641 4.163 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.169 3.657 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.938 5.352 5.348 1.00 0.00 H new ATOM 980 N THR A 58 2.163 7.145 3.477 1.00 0.00 N ATOM 981 CA THR A 58 1.267 8.310 3.536 1.00 0.00 C ATOM 982 C THR A 58 0.223 8.264 2.420 1.00 0.00 C ATOM 983 O THR A 58 -0.973 8.316 2.694 1.00 0.00 O ATOM 984 CB THR A 58 2.079 9.615 3.451 1.00 0.00 C ATOM 985 OG1 THR A 58 3.143 9.585 4.384 1.00 0.00 O ATOM 986 CG2 THR A 58 1.233 10.849 3.762 1.00 0.00 C ATOM 0 H THR A 58 3.132 7.401 3.288 1.00 0.00 H new ATOM 0 HA THR A 58 0.742 8.280 4.491 1.00 0.00 H new ATOM 0 HB THR A 58 2.446 9.684 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.656 10.418 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.852 11.743 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.412 10.917 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.830 10.769 4.772 1.00 0.00 H new ATOM 994 N GLU A 59 0.645 8.082 1.167 1.00 0.00 N ATOM 995 CA GLU A 59 -0.260 7.982 0.011 1.00 0.00 C ATOM 996 C GLU A 59 -1.186 6.761 0.122 1.00 0.00 C ATOM 997 O GLU A 59 -2.383 6.854 -0.161 1.00 0.00 O ATOM 998 CB GLU A 59 0.556 7.903 -1.290 1.00 0.00 C ATOM 999 CG GLU A 59 1.360 9.173 -1.611 1.00 0.00 C ATOM 1000 CD GLU A 59 0.447 10.375 -1.917 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.064 10.572 -3.095 1.00 0.00 O ATOM 1002 OE2 GLU A 59 0.103 11.133 -0.978 1.00 0.00 O ATOM 0 H GLU A 59 1.631 7.999 0.920 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.884 8.876 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.243 7.059 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.122 7.697 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.007 9.415 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.009 8.984 -2.466 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.655 5.635 0.613 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.439 4.432 0.890 1.00 0.00 C ATOM 1011 C LEU A 60 -2.509 4.688 1.968 1.00 0.00 C ATOM 1012 O LEU A 60 -3.675 4.373 1.758 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.487 3.279 1.273 1.00 0.00 C ATOM 1014 CG LEU A 60 -1.001 1.907 0.802 1.00 0.00 C ATOM 1015 CD1 LEU A 60 -0.769 1.733 -0.703 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.262 0.783 1.530 1.00 0.00 C ATOM 0 H LEU A 60 0.337 5.535 0.830 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.983 4.145 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.495 3.464 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.359 3.263 2.355 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.067 1.860 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.139 0.757 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.300 2.515 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.297 1.803 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.637 -0.181 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.805 0.853 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.427 0.875 2.604 1.00 0.00 H new ATOM 1028 N SER A 61 -2.164 5.346 3.077 1.00 0.00 N ATOM 1029 CA SER A 61 -3.101 5.690 4.160 1.00 0.00 C ATOM 1030 C SER A 61 -4.235 6.623 3.720 1.00 0.00 C ATOM 1031 O SER A 61 -5.332 6.573 4.285 1.00 0.00 O ATOM 1032 CB SER A 61 -2.332 6.290 5.346 1.00 0.00 C ATOM 1033 OG SER A 61 -1.965 7.643 5.141 1.00 0.00 O ATOM 0 H SER A 61 -1.211 5.662 3.255 1.00 0.00 H new ATOM 0 HA SER A 61 -3.583 4.761 4.463 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.946 6.218 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.434 5.699 5.526 1.00 0.00 H new ATOM 0 HG SER A 61 -1.624 7.755 4.229 1.00 0.00 H new ATOM 1039 N LYS A 62 -3.996 7.418 2.670 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.927 8.423 2.129 1.00 0.00 C ATOM 1041 C LYS A 62 -5.934 7.807 1.156 1.00 0.00 C ATOM 1042 O LYS A 62 -7.110 8.172 1.186 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.125 9.556 1.460 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.429 10.469 2.486 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.294 11.301 1.867 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.784 12.246 0.762 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.649 12.971 0.136 1.00 0.00 N ATOM 0 H LYS A 62 -3.118 7.380 2.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.508 8.834 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.376 9.124 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.794 10.154 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.166 11.140 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.027 9.859 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.809 11.885 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.540 10.630 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.319 11.676 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.491 12.963 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.016 13.699 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.075 13.423 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.060 12.300 -0.397 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.490 6.857 0.321 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.332 6.169 -0.679 1.00 0.00 C ATOM 1063 C ARG A 63 -6.979 4.884 -0.148 1.00 0.00 C ATOM 1064 O ARG A 63 -8.147 4.632 -0.440 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.522 5.924 -1.963 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.100 7.241 -2.638 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.450 7.018 -4.013 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.411 6.519 -5.021 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.303 7.224 -5.700 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -7.095 6.636 -6.550 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -6.434 8.512 -5.554 1.00 0.00 N ATOM 0 H ARG A 63 -4.521 6.537 0.318 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.168 6.828 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.634 5.338 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.117 5.334 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.974 7.882 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.400 7.769 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.016 7.955 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.631 6.306 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.383 5.518 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.030 5.628 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.781 7.183 -7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.837 9.014 -4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.134 9.018 -6.097 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.260 4.098 0.662 1.00 0.00 N ATOM 1086 CA LEU A 64 -6.759 2.858 1.283 1.00 0.00 C ATOM 1087 C LEU A 64 -7.605 3.113 2.546 1.00 0.00 C ATOM 1088 O LEU A 64 -8.372 2.237 2.945 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.571 1.936 1.633 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.802 0.456 1.308 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.507 0.229 -0.168 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.872 -0.447 2.113 1.00 0.00 C ATOM 0 H LEU A 64 -5.294 4.308 0.912 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.412 2.380 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.688 2.280 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.353 2.032 2.697 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.835 0.213 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.667 -0.821 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.171 0.848 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.471 0.497 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.064 -1.489 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.836 -0.201 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.051 -0.297 3.178 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.464 4.297 3.163 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.140 4.709 4.405 1.00 0.00 C ATOM 1106 C ASN A 65 -7.762 3.804 5.603 1.00 0.00 C ATOM 1107 O ASN A 65 -8.573 3.026 6.115 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.650 4.891 4.140 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.366 5.644 5.252 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.700 6.816 5.129 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.623 5.009 6.372 1.00 0.00 N ATOM 0 H ASN A 65 -6.850 5.024 2.795 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.779 5.688 4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.786 5.427 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.112 3.911 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.099 5.492 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.347 4.033 6.480 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.505 3.923 6.036 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.888 3.200 7.166 1.00 0.00 C ATOM 1120 C ILE A 66 -5.020 4.131 8.021 1.00 0.00 C ATOM 1121 O ILE A 66 -4.666 5.239 7.619 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.031 1.990 6.697 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.081 2.367 5.540 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.928 0.787 6.396 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.171 1.249 5.033 1.00 0.00 C ATOM 0 H ILE A 66 -5.848 4.561 5.587 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.715 2.823 7.768 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.371 1.691 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.682 2.727 4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.456 3.199 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.314 -0.052 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.475 0.507 7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.635 1.048 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.548 1.626 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.535 0.900 5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.780 0.422 4.668 1.00 0.00 H new ATOM 1137 N THR A 67 -4.620 3.633 9.188 1.00 0.00 N ATOM 1138 CA THR A 67 -3.519 4.155 10.001 1.00 0.00 C ATOM 1139 C THR A 67 -2.201 4.084 9.215 1.00 0.00 C ATOM 1140 O THR A 67 -1.922 3.077 8.562 1.00 0.00 O ATOM 1141 CB THR A 67 -3.440 3.308 11.283 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.638 3.452 12.018 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.288 3.679 12.205 1.00 0.00 C ATOM 0 H THR A 67 -5.070 2.822 9.612 1.00 0.00 H new ATOM 0 HA THR A 67 -3.692 5.200 10.257 1.00 0.00 H new ATOM 0 HB THR A 67 -3.278 2.284 10.948 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.588 2.911 12.834 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.304 3.035 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.343 3.549 11.677 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.390 4.719 12.515 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.349 5.113 9.304 1.00 0.00 N ATOM 1152 CA VAL A 68 -0.053 5.149 8.584 1.00 0.00 C ATOM 1153 C VAL A 68 0.862 3.998 9.016 1.00 0.00 C ATOM 1154 O VAL A 68 1.545 3.395 8.196 1.00 0.00 O ATOM 1155 CB VAL A 68 0.669 6.503 8.769 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.892 6.617 7.848 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.240 7.700 8.460 1.00 0.00 C ATOM 0 H VAL A 68 -1.529 5.942 9.870 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.280 5.029 7.525 1.00 0.00 H new ATOM 0 HB VAL A 68 0.968 6.528 9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.376 7.581 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.596 5.816 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.574 6.535 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.316 8.626 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.582 7.640 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.101 7.685 9.128 1.00 0.00 H new ATOM 1167 N ASP A 69 0.818 3.613 10.292 1.00 0.00 N ATOM 1168 CA ASP A 69 1.604 2.491 10.820 1.00 0.00 C ATOM 1169 C ASP A 69 1.113 1.120 10.332 1.00 0.00 C ATOM 1170 O ASP A 69 1.931 0.224 10.103 1.00 0.00 O ATOM 1171 CB ASP A 69 1.647 2.573 12.351 1.00 0.00 C ATOM 1172 CG ASP A 69 2.611 1.536 12.955 1.00 0.00 C ATOM 1173 OD1 ASP A 69 2.135 0.578 13.610 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.845 1.697 12.797 1.00 0.00 O ATOM 0 H ASP A 69 0.235 4.070 10.993 1.00 0.00 H new ATOM 0 HA ASP A 69 2.617 2.583 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.956 3.574 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.646 2.414 12.751 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.194 0.977 10.054 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.710 -0.200 9.343 1.00 0.00 C ATOM 1181 C LYS A 70 -0.160 -0.260 7.927 1.00 0.00 C ATOM 1182 O LYS A 70 0.252 -1.334 7.512 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.249 -0.254 9.337 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.825 -0.765 10.665 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.356 -0.884 10.577 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.967 -1.659 11.754 1.00 0.00 C ATOM 1187 NZ LYS A 70 -4.838 -0.940 13.050 1.00 0.00 N ATOM 0 H LYS A 70 -0.908 1.659 10.310 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.364 -1.078 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.643 0.741 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.583 -0.902 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.392 -1.736 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.553 -0.085 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.791 0.115 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.623 -1.381 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.022 -1.846 11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.481 -2.631 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.267 -1.509 13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.832 -0.784 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.325 -0.023 12.988 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.050 0.867 7.224 1.00 0.00 N ATOM 1202 CA ALA A 71 0.526 0.901 5.873 1.00 0.00 C ATOM 1203 C ALA A 71 2.015 0.518 5.900 1.00 0.00 C ATOM 1204 O ALA A 71 2.439 -0.378 5.168 1.00 0.00 O ATOM 1205 CB ALA A 71 0.300 2.287 5.253 1.00 0.00 C ATOM 0 H ALA A 71 -0.354 1.778 7.569 1.00 0.00 H new ATOM 0 HA ALA A 71 0.024 0.162 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.728 2.311 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.769 2.490 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.781 3.045 5.871 1.00 0.00 H new ATOM 1211 N LYS A 72 2.785 1.129 6.811 1.00 0.00 N ATOM 1212 CA LYS A 72 4.228 0.884 6.994 1.00 0.00 C ATOM 1213 C LYS A 72 4.543 -0.593 7.256 1.00 0.00 C ATOM 1214 O LYS A 72 5.513 -1.108 6.699 1.00 0.00 O ATOM 1215 CB LYS A 72 4.764 1.744 8.156 1.00 0.00 C ATOM 1216 CG LYS A 72 4.872 3.240 7.824 1.00 0.00 C ATOM 1217 CD LYS A 72 5.114 4.133 9.051 1.00 0.00 C ATOM 1218 CE LYS A 72 6.353 3.776 9.887 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.624 4.049 9.164 1.00 0.00 N ATOM 0 H LYS A 72 2.415 1.825 7.459 1.00 0.00 H new ATOM 0 HA LYS A 72 4.722 1.163 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.110 1.620 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.748 1.374 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.686 3.387 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.955 3.560 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.207 5.166 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.235 4.085 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.337 4.346 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.313 2.721 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.430 3.792 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.654 3.486 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.678 5.060 8.927 1.00 0.00 H new ATOM 1233 N THR A 73 3.732 -1.286 8.065 1.00 0.00 N ATOM 1234 CA THR A 73 3.970 -2.707 8.383 1.00 0.00 C ATOM 1235 C THR A 73 3.321 -3.674 7.387 1.00 0.00 C ATOM 1236 O THR A 73 3.913 -4.707 7.063 1.00 0.00 O ATOM 1237 CB THR A 73 3.612 -3.016 9.846 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.336 -4.155 10.255 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.128 -3.279 10.105 1.00 0.00 C ATOM 0 H THR A 73 2.905 -0.890 8.513 1.00 0.00 H new ATOM 0 HA THR A 73 5.040 -2.879 8.270 1.00 0.00 H new ATOM 0 HB THR A 73 3.870 -2.121 10.412 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.119 -4.363 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.975 -3.487 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.548 -2.401 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.802 -4.136 9.516 1.00 0.00 H new ATOM 1247 N TYR A 74 2.156 -3.335 6.823 1.00 0.00 N ATOM 1248 CA TYR A 74 1.459 -4.145 5.817 1.00 0.00 C ATOM 1249 C TYR A 74 2.271 -4.296 4.525 1.00 0.00 C ATOM 1250 O TYR A 74 2.315 -5.393 3.970 1.00 0.00 O ATOM 1251 CB TYR A 74 0.086 -3.523 5.522 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.619 -4.122 4.328 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.553 -3.452 3.093 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.273 -5.364 4.430 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.104 -4.040 1.945 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.833 -5.953 3.280 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.728 -5.306 2.029 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.194 -5.928 0.913 1.00 0.00 O ATOM 0 H TYR A 74 1.662 -2.474 7.057 1.00 0.00 H new ATOM 0 HA TYR A 74 1.330 -5.148 6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.549 -3.638 6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.212 -2.453 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.078 -2.484 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.345 -5.863 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.052 -3.526 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.344 -6.902 3.355 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.591 -6.789 1.160 1.00 0.00 H new ATOM 1268 N ILE A 75 2.971 -3.239 4.086 1.00 0.00 N ATOM 1269 CA ILE A 75 3.870 -3.267 2.916 1.00 0.00 C ATOM 1270 C ILE A 75 4.824 -4.473 2.993 1.00 0.00 C ATOM 1271 O ILE A 75 4.850 -5.298 2.079 1.00 0.00 O ATOM 1272 CB ILE A 75 4.607 -1.906 2.805 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.650 -0.845 2.212 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.892 -1.978 1.957 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.113 0.606 2.428 1.00 0.00 C ATOM 0 H ILE A 75 2.930 -2.326 4.539 1.00 0.00 H new ATOM 0 HA ILE A 75 3.294 -3.401 2.000 1.00 0.00 H new ATOM 0 HB ILE A 75 4.911 -1.627 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.542 -1.026 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.663 -0.971 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.359 -0.994 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.584 -2.691 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.643 -2.300 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.389 1.289 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.193 0.807 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.085 0.752 1.957 1.00 0.00 H new ATOM 1287 N LYS A 76 5.538 -4.641 4.114 1.00 0.00 N ATOM 1288 CA LYS A 76 6.464 -5.768 4.314 1.00 0.00 C ATOM 1289 C LYS A 76 5.790 -7.077 4.739 1.00 0.00 C ATOM 1290 O LYS A 76 6.250 -8.141 4.338 1.00 0.00 O ATOM 1291 CB LYS A 76 7.617 -5.360 5.253 1.00 0.00 C ATOM 1292 CG LYS A 76 7.164 -4.935 6.661 1.00 0.00 C ATOM 1293 CD LYS A 76 8.358 -4.668 7.585 1.00 0.00 C ATOM 1294 CE LYS A 76 7.862 -4.233 8.970 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.986 -4.067 9.930 1.00 0.00 N ATOM 0 H LYS A 76 5.491 -4.002 4.907 1.00 0.00 H new ATOM 0 HA LYS A 76 6.883 -5.998 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.310 -6.196 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.168 -4.537 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.551 -4.037 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.537 -5.715 7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.968 -5.567 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.993 -3.893 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.316 -3.293 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.161 -4.974 9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.612 -3.773 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.491 -4.970 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.642 -3.342 9.575 1.00 0.00 H new ATOM 1309 N ASN A 77 4.693 -7.044 5.494 1.00 0.00 N ATOM 1310 CA ASN A 77 4.025 -8.276 5.943 1.00 0.00 C ATOM 1311 C ASN A 77 3.214 -8.967 4.829 1.00 0.00 C ATOM 1312 O ASN A 77 3.059 -10.191 4.854 1.00 0.00 O ATOM 1313 CB ASN A 77 3.178 -8.000 7.198 1.00 0.00 C ATOM 1314 CG ASN A 77 4.029 -8.002 8.457 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.162 -9.006 9.144 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.660 -6.901 8.786 1.00 0.00 N ATOM 0 H ASN A 77 4.245 -6.184 5.809 1.00 0.00 H new ATOM 0 HA ASN A 77 4.806 -8.989 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.679 -7.036 7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.397 -8.756 7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.259 -6.884 9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.552 -6.062 8.216 1.00 0.00 H new ATOM 1420 N THR A 84 5.565 -10.051 -5.019 1.00 0.00 N ATOM 1421 CA THR A 84 4.134 -9.979 -4.665 1.00 0.00 C ATOM 1422 C THR A 84 3.434 -11.338 -4.500 1.00 0.00 C ATOM 1423 O THR A 84 2.208 -11.432 -4.563 1.00 0.00 O ATOM 1424 CB THR A 84 3.361 -9.002 -5.586 1.00 0.00 C ATOM 1425 OG1 THR A 84 4.006 -8.721 -6.814 1.00 0.00 O ATOM 1426 CG2 THR A 84 3.181 -7.667 -4.873 1.00 0.00 C ATOM 0 HA THR A 84 4.113 -9.561 -3.659 1.00 0.00 H new ATOM 0 HB THR A 84 2.418 -9.502 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.917 -9.081 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.637 -6.979 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.619 -7.819 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.158 -7.246 -4.636 1.00 0.00 H new ATOM 1434 N ASN A 85 4.214 -12.410 -4.308 1.00 0.00 N ATOM 1435 CA ASN A 85 3.786 -13.809 -4.388 1.00 0.00 C ATOM 1436 C ASN A 85 2.968 -14.130 -5.660 1.00 0.00 C ATOM 1437 O ASN A 85 2.085 -14.986 -5.630 1.00 0.00 O ATOM 1438 CB ASN A 85 3.134 -14.224 -3.054 1.00 0.00 C ATOM 1439 CG ASN A 85 4.134 -14.229 -1.910 1.00 0.00 C ATOM 1440 OD1 ASN A 85 4.250 -13.285 -1.140 1.00 0.00 O ATOM 1441 ND2 ASN A 85 4.905 -15.285 -1.772 1.00 0.00 N ATOM 0 H ASN A 85 5.205 -12.319 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 85 4.663 -14.444 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.319 -13.539 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.696 -15.217 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.598 -15.316 -1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.810 -16.073 -2.413 1.00 0.00 H new ATOM 1448 N ASN A 86 3.262 -13.453 -6.782 1.00 0.00 N ATOM 1449 CA ASN A 86 2.582 -13.619 -8.078 1.00 0.00 C ATOM 1450 C ASN A 86 3.414 -14.376 -9.149 1.00 0.00 C ATOM 1451 O ASN A 86 2.915 -14.676 -10.234 1.00 0.00 O ATOM 1452 CB ASN A 86 2.073 -12.236 -8.549 1.00 0.00 C ATOM 1453 CG ASN A 86 2.930 -11.588 -9.627 1.00 0.00 C ATOM 1454 OD1 ASN A 86 2.490 -11.332 -10.740 1.00 0.00 O ATOM 1455 ND2 ASN A 86 4.180 -11.320 -9.342 1.00 0.00 N ATOM 0 H ASN A 86 4.003 -12.753 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 86 1.729 -14.282 -7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.056 -12.345 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.024 -11.568 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.785 -10.899 -10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.549 -11.533 -8.415 1.00 0.00 H new ATOM 1462 N PHE A 87 4.677 -14.704 -8.855 1.00 0.00 N ATOM 1463 CA PHE A 87 5.698 -15.205 -9.799 1.00 0.00 C ATOM 1464 C PHE A 87 5.537 -16.684 -10.234 1.00 0.00 C ATOM 1465 O PHE A 87 6.449 -17.284 -10.801 1.00 0.00 O ATOM 1466 CB PHE A 87 7.086 -14.935 -9.190 1.00 0.00 C ATOM 1467 CG PHE A 87 7.389 -15.749 -7.936 1.00 0.00 C ATOM 1468 CD1 PHE A 87 6.977 -15.291 -6.668 1.00 0.00 C ATOM 1469 CD2 PHE A 87 8.064 -16.981 -8.038 1.00 0.00 C ATOM 1470 CE1 PHE A 87 7.230 -16.059 -5.518 1.00 0.00 C ATOM 1471 CE2 PHE A 87 8.312 -17.752 -6.889 1.00 0.00 C ATOM 1472 CZ PHE A 87 7.895 -17.292 -5.628 1.00 0.00 C ATOM 0 H PHE A 87 5.039 -14.625 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 87 5.565 -14.660 -10.733 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.847 -15.148 -9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.164 -13.875 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.464 -14.345 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.393 -17.335 -9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.913 -15.701 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.824 -18.699 -6.975 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.085 -17.885 -4.746 1.00 0.00 H new ATOM 1482 N LYS A 88 4.375 -17.291 -9.968 1.00 0.00 N ATOM 1483 CA LYS A 88 4.114 -18.752 -9.983 1.00 0.00 C ATOM 1484 C LYS A 88 3.620 -19.278 -11.338 1.00 0.00 C ATOM 1485 O LYS A 88 3.133 -20.403 -11.453 1.00 0.00 O ATOM 1486 CB LYS A 88 3.125 -19.076 -8.853 1.00 0.00 C ATOM 1487 CG LYS A 88 3.649 -18.562 -7.502 1.00 0.00 C ATOM 1488 CD LYS A 88 2.641 -18.725 -6.362 1.00 0.00 C ATOM 1489 CE LYS A 88 1.457 -17.774 -6.579 1.00 0.00 C ATOM 1490 NZ LYS A 88 0.590 -17.697 -5.375 1.00 0.00 N ATOM 0 H LYS A 88 3.542 -16.757 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 88 5.060 -19.268 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.158 -18.622 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.967 -20.153 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.564 -19.096 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.911 -17.508 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.289 -19.756 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.120 -18.512 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.829 -16.779 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.868 -18.114 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.403 -17.827 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.862 -18.443 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.704 -16.767 -4.924 1.00 0.00 H new ATOM 1504 N THR A 89 3.735 -18.418 -12.343 1.00 0.00 N ATOM 1505 CA THR A 89 3.186 -18.515 -13.698 1.00 0.00 C ATOM 1506 C THR A 89 4.109 -17.757 -14.654 1.00 0.00 C ATOM 1507 O THR A 89 4.522 -18.289 -15.681 1.00 0.00 O ATOM 1508 CB THR A 89 1.772 -17.899 -13.696 1.00 0.00 C ATOM 1509 OG1 THR A 89 0.866 -18.785 -13.074 1.00 0.00 O ATOM 1510 CG2 THR A 89 1.217 -17.594 -15.088 1.00 0.00 C ATOM 0 H THR A 89 4.263 -17.554 -12.223 1.00 0.00 H new ATOM 0 HA THR A 89 3.120 -19.553 -14.023 1.00 0.00 H new ATOM 0 HB THR A 89 1.872 -16.956 -13.159 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.030 -18.389 -13.073 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.220 -17.164 -14.996 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.873 -16.885 -15.594 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.162 -18.515 -15.668 1.00 0.00 H new ATOM 1518 N ILE A 90 4.489 -16.528 -14.286 1.00 0.00 N ATOM 1519 CA ILE A 90 5.383 -15.666 -15.077 1.00 0.00 C ATOM 1520 C ILE A 90 6.831 -16.192 -14.971 1.00 0.00 C ATOM 1521 O ILE A 90 7.166 -16.886 -14.010 1.00 0.00 O ATOM 1522 CB ILE A 90 5.230 -14.177 -14.656 1.00 0.00 C ATOM 1523 CG1 ILE A 90 3.739 -13.787 -14.460 1.00 0.00 C ATOM 1524 CG2 ILE A 90 5.870 -13.246 -15.701 1.00 0.00 C ATOM 1525 CD1 ILE A 90 3.486 -12.317 -14.098 1.00 0.00 C ATOM 0 H ILE A 90 4.180 -16.095 -13.416 1.00 0.00 H new ATOM 0 HA ILE A 90 5.104 -15.704 -16.130 1.00 0.00 H new ATOM 0 HB ILE A 90 5.746 -14.059 -13.703 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.197 -14.016 -15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.317 -14.415 -13.675 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.751 -12.209 -15.386 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.931 -13.478 -15.793 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.382 -13.391 -16.665 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.415 -12.150 -13.984 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.992 -12.080 -13.162 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.871 -11.676 -14.891 1.00 0.00 H new ATOM 1537 N LYS A 91 7.689 -15.884 -15.953 1.00 0.00 N ATOM 1538 CA LYS A 91 9.107 -16.299 -16.073 1.00 0.00 C ATOM 1539 C LYS A 91 9.365 -17.800 -16.314 1.00 0.00 C ATOM 1540 O LYS A 91 10.511 -18.165 -16.580 1.00 0.00 O ATOM 1541 CB LYS A 91 9.940 -15.779 -14.873 1.00 0.00 C ATOM 1542 CG LYS A 91 9.855 -14.278 -14.527 1.00 0.00 C ATOM 1543 CD LYS A 91 10.716 -13.367 -15.416 1.00 0.00 C ATOM 1544 CE LYS A 91 10.124 -13.085 -16.807 1.00 0.00 C ATOM 1545 NZ LYS A 91 9.427 -11.772 -16.871 1.00 0.00 N ATOM 0 H LYS A 91 7.400 -15.301 -16.739 1.00 0.00 H new ATOM 0 HA LYS A 91 9.440 -15.826 -16.997 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.640 -16.343 -13.989 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.986 -16.019 -15.064 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.815 -13.960 -14.602 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.156 -14.140 -13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.869 -12.418 -14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.698 -13.824 -15.539 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.922 -13.106 -17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.424 -13.878 -17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.045 -11.628 -17.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.648 -11.758 -16.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.100 -11.011 -16.648 1.00 0.00 H new ATOM 1559 N MET A 92 8.348 -18.670 -16.262 1.00 0.00 N ATOM 1560 CA MET A 92 8.524 -20.131 -16.368 1.00 0.00 C ATOM 1561 C MET A 92 8.288 -20.680 -17.784 1.00 0.00 C ATOM 1562 O MET A 92 9.135 -21.405 -18.308 1.00 0.00 O ATOM 1563 CB MET A 92 7.630 -20.860 -15.354 1.00 0.00 C ATOM 1564 CG MET A 92 7.920 -20.452 -13.902 1.00 0.00 C ATOM 1565 SD MET A 92 7.257 -21.576 -12.637 1.00 0.00 S ATOM 1566 CE MET A 92 5.533 -21.715 -13.181 1.00 0.00 C ATOM 0 H MET A 92 7.376 -18.383 -16.145 1.00 0.00 H new ATOM 0 HA MET A 92 9.571 -20.325 -16.136 1.00 0.00 H new ATOM 0 HB2 MET A 92 6.585 -20.652 -15.583 1.00 0.00 H new ATOM 0 HB3 MET A 92 7.772 -21.936 -15.459 1.00 0.00 H new ATOM 0 HG2 MET A 92 9.000 -20.379 -13.770 1.00 0.00 H new ATOM 0 HG3 MET A 92 7.510 -19.457 -13.732 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.953 -22.241 -12.422 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.117 -20.719 -13.330 1.00 0.00 H new ATOM 0 HE3 MET A 92 5.491 -22.269 -14.118 1.00 0.00 H new ATOM 1576 N PHE A 93 7.159 -20.333 -18.417 1.00 0.00 N ATOM 1577 CA PHE A 93 6.774 -20.846 -19.746 1.00 0.00 C ATOM 1578 C PHE A 93 7.255 -19.968 -20.919 1.00 0.00 C ATOM 1579 O PHE A 93 7.120 -20.346 -22.084 1.00 0.00 O ATOM 1580 CB PHE A 93 5.252 -21.067 -19.796 1.00 0.00 C ATOM 1581 CG PHE A 93 4.422 -19.801 -19.949 1.00 0.00 C ATOM 1582 CD1 PHE A 93 4.023 -19.073 -18.815 1.00 0.00 C ATOM 1583 CD2 PHE A 93 4.052 -19.346 -21.231 1.00 0.00 C ATOM 1584 CE1 PHE A 93 3.273 -17.891 -18.956 1.00 0.00 C ATOM 1585 CE2 PHE A 93 3.299 -18.166 -21.374 1.00 0.00 C ATOM 1586 CZ PHE A 93 2.911 -17.436 -20.236 1.00 0.00 C ATOM 0 H PHE A 93 6.480 -19.683 -18.021 1.00 0.00 H new ATOM 0 HA PHE A 93 7.287 -21.799 -19.878 1.00 0.00 H new ATOM 0 HB2 PHE A 93 5.024 -21.735 -20.627 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.944 -21.577 -18.883 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.294 -19.423 -17.830 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.348 -19.905 -22.106 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.975 -17.333 -18.081 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.019 -17.821 -22.358 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.336 -16.528 -20.345 1.00 0.00 H new ATOM 1596 N GLU A 94 7.811 -18.790 -20.624 1.00 0.00 N ATOM 1597 CA GLU A 94 8.111 -17.724 -21.597 1.00 0.00 C ATOM 1598 C GLU A 94 9.454 -17.902 -22.339 1.00 0.00 C ATOM 1599 O GLU A 94 9.879 -17.025 -23.095 1.00 0.00 O ATOM 1600 CB GLU A 94 8.028 -16.357 -20.892 1.00 0.00 C ATOM 1601 CG GLU A 94 6.649 -16.072 -20.276 1.00 0.00 C ATOM 1602 CD GLU A 94 6.646 -14.699 -19.581 1.00 0.00 C ATOM 1603 OE1 GLU A 94 6.159 -13.708 -20.178 1.00 0.00 O ATOM 1604 OE2 GLU A 94 7.143 -14.611 -18.432 1.00 0.00 O ATOM 0 H GLU A 94 8.075 -18.539 -19.671 1.00 0.00 H new ATOM 0 HA GLU A 94 7.357 -17.784 -22.382 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.784 -16.314 -20.108 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.267 -15.571 -21.609 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.885 -16.095 -21.053 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.397 -16.851 -19.557 1.00 0.00 H new