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 84 THR OG1 : rot -28:sc= 0.065 USER MOD Set 1.2: A 86 ASN : amide:sc= 0 X(o=0.065,f=0.05) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.09 K(o=1.1,f=-6.7!) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 1.22 (180deg=-0.0576) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 0:sc= 1.24 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 53 ASN : amide:sc= 0.0901 K(o=0.09,f=-1.4) USER MOD Single : A 54 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0628 K(o=-0.063,f=-8.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -84:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0057) USER MOD Single : A 65 ASN : amide:sc= 0.464 X(o=0.46,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 85 ASN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0.663 (180deg=0.662) 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 -8.892 -5.442 3.342 1.00 0.00 N ATOM 624 CA LEU A 35 -8.814 -5.392 1.881 1.00 0.00 C ATOM 625 C LEU A 35 -9.813 -6.364 1.238 1.00 0.00 C ATOM 626 O LEU A 35 -9.867 -7.551 1.564 1.00 0.00 O ATOM 627 CB LEU A 35 -7.385 -5.668 1.374 1.00 0.00 C ATOM 628 CG LEU A 35 -6.388 -4.518 1.627 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.574 -4.718 2.905 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.410 -4.419 0.455 1.00 0.00 C ATOM 0 HA LEU A 35 -9.081 -4.379 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.010 -6.571 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.425 -5.870 0.304 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.978 -3.608 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.889 -3.880 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.247 -4.772 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.005 -5.645 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.707 -3.606 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.863 -5.357 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.962 -4.223 -0.464 1.00 0.00 H new ATOM 642 N SER A 36 -10.560 -5.828 0.279 1.00 0.00 N ATOM 643 CA SER A 36 -11.592 -6.495 -0.527 1.00 0.00 C ATOM 644 C SER A 36 -11.178 -6.604 -1.983 1.00 0.00 C ATOM 645 O SER A 36 -10.722 -7.663 -2.421 1.00 0.00 O ATOM 646 CB SER A 36 -12.961 -5.835 -0.304 1.00 0.00 C ATOM 647 OG SER A 36 -13.967 -6.518 -1.033 1.00 0.00 O ATOM 0 H SER A 36 -10.458 -4.846 0.021 1.00 0.00 H new ATOM 0 HA SER A 36 -11.698 -7.526 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.206 -5.842 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.923 -4.791 -0.616 1.00 0.00 H new ATOM 0 HG SER A 36 -14.833 -6.086 -0.879 1.00 0.00 H new ATOM 653 N GLU A 37 -11.274 -5.514 -2.733 1.00 0.00 N ATOM 654 CA GLU A 37 -10.974 -5.516 -4.161 1.00 0.00 C ATOM 655 C GLU A 37 -10.580 -4.128 -4.664 1.00 0.00 C ATOM 656 O GLU A 37 -9.589 -3.976 -5.373 1.00 0.00 O ATOM 657 CB GLU A 37 -12.206 -6.073 -4.897 1.00 0.00 C ATOM 658 CG GLU A 37 -11.741 -7.037 -5.984 1.00 0.00 C ATOM 659 CD GLU A 37 -12.914 -7.509 -6.864 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.569 -8.526 -6.525 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.181 -6.871 -7.911 1.00 0.00 O ATOM 0 H GLU A 37 -11.561 -4.605 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.109 -6.149 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.864 -6.586 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.782 -5.259 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.991 -6.549 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.260 -7.900 -5.524 1.00 0.00 H new ATOM 668 N GLU A 38 -11.277 -3.092 -4.193 1.00 0.00 N ATOM 669 CA GLU A 38 -10.938 -1.694 -4.472 1.00 0.00 C ATOM 670 C GLU A 38 -9.615 -1.303 -3.797 1.00 0.00 C ATOM 671 O GLU A 38 -8.854 -0.514 -4.353 1.00 0.00 O ATOM 672 CB GLU A 38 -12.131 -0.814 -4.057 1.00 0.00 C ATOM 673 CG GLU A 38 -11.952 0.688 -4.344 1.00 0.00 C ATOM 674 CD GLU A 38 -11.537 1.545 -3.125 1.00 0.00 C ATOM 675 OE1 GLU A 38 -10.972 1.019 -2.136 1.00 0.00 O ATOM 676 OE2 GLU A 38 -11.806 2.771 -3.150 1.00 0.00 O ATOM 0 H GLU A 38 -12.101 -3.200 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.766 -1.543 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.023 -1.166 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.310 -0.948 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.200 0.806 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.888 1.080 -4.742 1.00 0.00 H new ATOM 683 N GLN A 39 -9.272 -1.939 -2.669 1.00 0.00 N ATOM 684 CA GLN A 39 -8.031 -1.658 -1.942 1.00 0.00 C ATOM 685 C GLN A 39 -6.788 -2.184 -2.681 1.00 0.00 C ATOM 686 O GLN A 39 -5.740 -1.541 -2.670 1.00 0.00 O ATOM 687 CB GLN A 39 -8.129 -2.198 -0.511 1.00 0.00 C ATOM 688 CG GLN A 39 -9.159 -1.449 0.355 1.00 0.00 C ATOM 689 CD GLN A 39 -10.597 -1.905 0.127 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.955 -3.046 0.372 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.473 -1.079 -0.392 1.00 0.00 N ATOM 0 H GLN A 39 -9.848 -2.662 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.905 -0.577 -1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.395 -3.255 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.150 -2.131 -0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.906 -1.586 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.088 -0.381 0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.204 -0.119 -0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.424 -1.396 -0.580 1.00 0.00 H new ATOM 700 N LYS A 40 -6.903 -3.298 -3.414 1.00 0.00 N ATOM 701 CA LYS A 40 -5.834 -3.783 -4.316 1.00 0.00 C ATOM 702 C LYS A 40 -5.651 -2.900 -5.540 1.00 0.00 C ATOM 703 O LYS A 40 -4.520 -2.639 -5.945 1.00 0.00 O ATOM 704 CB LYS A 40 -6.146 -5.215 -4.758 1.00 0.00 C ATOM 705 CG LYS A 40 -5.760 -6.191 -3.645 1.00 0.00 C ATOM 706 CD LYS A 40 -6.661 -7.437 -3.641 1.00 0.00 C ATOM 707 CE LYS A 40 -7.345 -7.556 -2.275 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.182 -8.782 -2.176 1.00 0.00 N ATOM 0 H LYS A 40 -7.733 -3.891 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.900 -3.752 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.207 -5.312 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.598 -5.452 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.721 -6.494 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.830 -5.689 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.409 -7.363 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.069 -8.330 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.588 -7.569 -1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.967 -6.678 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.139 -9.154 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.167 -8.550 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.825 -9.500 -2.838 1.00 0.00 H new ATOM 722 N LYS A 41 -6.752 -2.342 -6.044 1.00 0.00 N ATOM 723 CA LYS A 41 -6.737 -1.281 -7.077 1.00 0.00 C ATOM 724 C LYS A 41 -6.089 0.041 -6.606 1.00 0.00 C ATOM 725 O LYS A 41 -5.989 0.981 -7.392 1.00 0.00 O ATOM 726 CB LYS A 41 -8.148 -1.046 -7.656 1.00 0.00 C ATOM 727 CG LYS A 41 -8.781 -2.304 -8.274 1.00 0.00 C ATOM 728 CD LYS A 41 -10.239 -2.045 -8.692 1.00 0.00 C ATOM 729 CE LYS A 41 -11.022 -3.344 -8.936 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.545 -4.086 -10.133 1.00 0.00 N ATOM 0 H LYS A 41 -7.692 -2.609 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.094 -1.651 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.799 -0.674 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.094 -0.267 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.201 -2.617 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.746 -3.123 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.738 -1.464 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.251 -1.441 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.937 -3.985 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.079 -3.109 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.107 -4.953 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.650 -3.488 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.543 -4.337 -10.010 1.00 0.00 H new ATOM 744 N ILE A 42 -5.609 0.101 -5.357 1.00 0.00 N ATOM 745 CA ILE A 42 -4.740 1.151 -4.802 1.00 0.00 C ATOM 746 C ILE A 42 -3.339 0.596 -4.488 1.00 0.00 C ATOM 747 O ILE A 42 -2.351 1.157 -4.956 1.00 0.00 O ATOM 748 CB ILE A 42 -5.421 1.779 -3.565 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.708 2.533 -3.981 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.497 2.716 -2.766 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.828 2.330 -2.962 1.00 0.00 C ATOM 0 H ILE A 42 -5.827 -0.619 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.597 1.939 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.673 0.950 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.492 3.597 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.037 2.182 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.040 3.121 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.630 2.158 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.166 3.534 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.716 2.873 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.060 1.268 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.508 2.704 -1.990 1.00 0.00 H new ATOM 763 N VAL A 43 -3.233 -0.509 -3.733 1.00 0.00 N ATOM 764 CA VAL A 43 -1.940 -1.068 -3.282 1.00 0.00 C ATOM 765 C VAL A 43 -1.184 -1.762 -4.412 1.00 0.00 C ATOM 766 O VAL A 43 -0.080 -1.346 -4.756 1.00 0.00 O ATOM 767 CB VAL A 43 -2.105 -2.023 -2.080 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.752 -2.595 -1.629 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.719 -1.295 -0.884 1.00 0.00 C ATOM 0 H VAL A 43 -4.041 -1.044 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.344 -0.216 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.759 -2.829 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.904 -3.263 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.299 -3.149 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.092 -1.779 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.825 -1.989 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.071 -0.470 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.699 -0.906 -1.159 1.00 0.00 H new ATOM 779 N ALA A 44 -1.762 -2.797 -5.025 1.00 0.00 N ATOM 780 CA ALA A 44 -1.123 -3.534 -6.120 1.00 0.00 C ATOM 781 C ALA A 44 -0.975 -2.667 -7.383 1.00 0.00 C ATOM 782 O ALA A 44 -0.002 -2.804 -8.125 1.00 0.00 O ATOM 783 CB ALA A 44 -1.923 -4.808 -6.388 1.00 0.00 C ATOM 0 H ALA A 44 -2.687 -3.149 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.109 -3.807 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.458 -5.366 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.939 -5.423 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.944 -4.545 -6.666 1.00 0.00 H new ATOM 789 N ASP A 45 -1.883 -1.704 -7.560 1.00 0.00 N ATOM 790 CA ASP A 45 -1.769 -0.621 -8.553 1.00 0.00 C ATOM 791 C ASP A 45 -0.595 0.360 -8.294 1.00 0.00 C ATOM 792 O ASP A 45 -0.243 1.153 -9.167 1.00 0.00 O ATOM 793 CB ASP A 45 -3.112 0.119 -8.609 1.00 0.00 C ATOM 794 CG ASP A 45 -3.221 1.069 -9.816 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.288 2.308 -9.621 1.00 0.00 O ATOM 796 OD2 ASP A 45 -3.283 0.572 -10.967 1.00 0.00 O ATOM 0 H ASP A 45 -2.738 -1.650 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.534 -1.075 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.921 -0.610 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.245 0.690 -7.690 1.00 0.00 H new ATOM 801 N TYR A 46 0.041 0.290 -7.117 1.00 0.00 N ATOM 802 CA TYR A 46 1.320 0.940 -6.806 1.00 0.00 C ATOM 803 C TYR A 46 2.508 -0.027 -7.019 1.00 0.00 C ATOM 804 O TYR A 46 3.559 0.363 -7.533 1.00 0.00 O ATOM 805 CB TYR A 46 1.268 1.499 -5.366 1.00 0.00 C ATOM 806 CG TYR A 46 1.969 2.832 -5.146 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.429 3.779 -4.252 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.155 3.134 -5.832 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.064 5.025 -4.058 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.767 4.387 -5.690 1.00 0.00 C ATOM 811 CZ TYR A 46 3.230 5.340 -4.799 1.00 0.00 C ATOM 812 OH TYR A 46 3.864 6.534 -4.665 1.00 0.00 O ATOM 0 H TYR A 46 -0.334 -0.238 -6.329 1.00 0.00 H new ATOM 0 HA TYR A 46 1.481 1.772 -7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.223 1.608 -5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.710 0.763 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.523 3.550 -3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.602 2.392 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.663 5.734 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.651 4.623 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 46 3.389 7.085 -4.008 1.00 0.00 H new ATOM 822 N ILE A 47 2.345 -1.315 -6.701 1.00 0.00 N ATOM 823 CA ILE A 47 3.394 -2.342 -6.879 1.00 0.00 C ATOM 824 C ILE A 47 3.763 -2.541 -8.364 1.00 0.00 C ATOM 825 O ILE A 47 4.914 -2.835 -8.690 1.00 0.00 O ATOM 826 CB ILE A 47 2.958 -3.654 -6.178 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.646 -3.459 -4.671 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.977 -4.796 -6.314 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.587 -2.514 -3.912 1.00 0.00 C ATOM 0 H ILE A 47 1.478 -1.684 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 47 4.312 -1.999 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 47 2.047 -3.935 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.628 -3.081 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.671 -4.434 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.603 -5.681 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.126 -5.027 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.925 -4.492 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.277 -2.452 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.607 -2.896 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.547 -1.522 -4.362 1.00 0.00 H new ATOM 841 N SER A 48 2.833 -2.279 -9.286 1.00 0.00 N ATOM 842 CA SER A 48 3.106 -2.184 -10.728 1.00 0.00 C ATOM 843 C SER A 48 3.953 -0.972 -11.150 1.00 0.00 C ATOM 844 O SER A 48 4.508 -0.976 -12.251 1.00 0.00 O ATOM 845 CB SER A 48 1.787 -2.113 -11.508 1.00 0.00 C ATOM 846 OG SER A 48 0.892 -1.179 -10.930 1.00 0.00 O ATOM 0 H SER A 48 1.853 -2.124 -9.051 1.00 0.00 H new ATOM 0 HA SER A 48 3.682 -3.080 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.989 -1.833 -12.542 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.322 -3.099 -11.530 1.00 0.00 H new ATOM 0 HG SER A 48 0.062 -1.156 -11.451 1.00 0.00 H new ATOM 852 N GLU A 49 4.039 0.080 -10.330 1.00 0.00 N ATOM 853 CA GLU A 49 4.389 1.423 -10.792 1.00 0.00 C ATOM 854 C GLU A 49 5.809 1.850 -10.389 1.00 0.00 C ATOM 855 O GLU A 49 6.532 2.419 -11.212 1.00 0.00 O ATOM 856 CB GLU A 49 3.314 2.383 -10.258 1.00 0.00 C ATOM 857 CG GLU A 49 3.320 3.752 -10.938 1.00 0.00 C ATOM 858 CD GLU A 49 2.756 3.707 -12.373 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.523 3.435 -13.328 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.543 3.971 -12.563 1.00 0.00 O ATOM 0 H GLU A 49 3.867 0.022 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 49 4.406 1.441 -11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.333 1.926 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.461 2.519 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.732 4.451 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.340 4.135 -10.965 1.00 0.00 H new ATOM 867 N VAL A 50 6.229 1.558 -9.147 1.00 0.00 N ATOM 868 CA VAL A 50 7.538 1.991 -8.600 1.00 0.00 C ATOM 869 C VAL A 50 8.393 0.871 -7.991 1.00 0.00 C ATOM 870 O VAL A 50 9.582 1.074 -7.746 1.00 0.00 O ATOM 871 CB VAL A 50 7.371 3.153 -7.600 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.563 4.314 -8.190 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.757 2.688 -6.277 1.00 0.00 C ATOM 0 H VAL A 50 5.673 1.014 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 50 8.096 2.336 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 50 8.376 3.520 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.472 5.108 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.072 4.699 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.570 3.962 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.658 3.539 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.774 2.257 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.402 1.937 -5.821 1.00 0.00 H new ATOM 883 N GLY A 51 7.813 -0.302 -7.724 1.00 0.00 N ATOM 884 CA GLY A 51 8.497 -1.510 -7.264 1.00 0.00 C ATOM 885 C GLY A 51 7.765 -2.105 -6.068 1.00 0.00 C ATOM 886 O GLY A 51 6.819 -2.871 -6.219 1.00 0.00 O ATOM 0 H GLY A 51 6.808 -0.440 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.543 -2.241 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.525 -1.273 -6.989 1.00 0.00 H new ATOM 890 N LEU A 52 8.212 -1.715 -4.875 1.00 0.00 N ATOM 891 CA LEU A 52 7.617 -2.076 -3.574 1.00 0.00 C ATOM 892 C LEU A 52 8.095 -1.184 -2.416 1.00 0.00 C ATOM 893 O LEU A 52 7.376 -0.973 -1.441 1.00 0.00 O ATOM 894 CB LEU A 52 7.910 -3.563 -3.273 1.00 0.00 C ATOM 895 CG LEU A 52 9.392 -3.943 -3.047 1.00 0.00 C ATOM 896 CD1 LEU A 52 9.723 -4.098 -1.559 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.729 -5.269 -3.732 1.00 0.00 C ATOM 0 H LEU A 52 9.031 -1.115 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 52 6.542 -1.912 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.345 -3.849 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.527 -4.160 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 52 9.980 -3.130 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.774 -4.365 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.530 -3.157 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.101 -4.882 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.777 -5.513 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.100 -6.060 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.551 -5.180 -4.804 1.00 0.00 H new ATOM 909 N ASN A 53 9.317 -0.663 -2.541 1.00 0.00 N ATOM 910 CA ASN A 53 10.055 0.077 -1.510 1.00 0.00 C ATOM 911 C ASN A 53 10.186 1.592 -1.776 1.00 0.00 C ATOM 912 O ASN A 53 10.587 2.337 -0.881 1.00 0.00 O ATOM 913 CB ASN A 53 11.433 -0.593 -1.349 1.00 0.00 C ATOM 914 CG ASN A 53 12.316 -0.401 -2.573 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.050 -0.929 -3.643 1.00 0.00 O ATOM 916 ND2 ASN A 53 13.355 0.395 -2.476 1.00 0.00 N ATOM 0 H ASN A 53 9.848 -0.749 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 53 9.482 0.026 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.935 -0.181 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.297 -1.659 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.939 0.573 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.578 0.836 -1.584 1.00 0.00 H new ATOM 923 N ASN A 54 9.873 2.047 -2.995 1.00 0.00 N ATOM 924 CA ASN A 54 10.032 3.449 -3.420 1.00 0.00 C ATOM 925 C ASN A 54 8.761 4.295 -3.191 1.00 0.00 C ATOM 926 O ASN A 54 8.833 5.522 -3.104 1.00 0.00 O ATOM 927 CB ASN A 54 10.502 3.466 -4.886 1.00 0.00 C ATOM 928 CG ASN A 54 11.757 2.633 -5.091 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.819 2.915 -4.554 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.665 1.550 -5.827 1.00 0.00 N ATOM 0 H ASN A 54 9.496 1.445 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 54 10.789 3.924 -2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.706 3.086 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.695 4.494 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.478 0.946 -5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.781 1.312 -6.276 1.00 0.00 H new ATOM 937 N LEU A 55 7.604 3.635 -3.056 1.00 0.00 N ATOM 938 CA LEU A 55 6.344 4.208 -2.563 1.00 0.00 C ATOM 939 C LEU A 55 6.419 4.580 -1.071 1.00 0.00 C ATOM 940 O LEU A 55 7.305 4.102 -0.355 1.00 0.00 O ATOM 941 CB LEU A 55 5.204 3.214 -2.865 1.00 0.00 C ATOM 942 CG LEU A 55 5.318 1.816 -2.227 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.643 1.737 -0.862 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.645 0.775 -3.121 1.00 0.00 C ATOM 0 H LEU A 55 7.516 2.648 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 55 6.146 5.146 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.266 3.662 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.138 3.090 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 55 6.384 1.622 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.754 0.730 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.108 2.453 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.584 1.971 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.731 -0.210 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.592 1.027 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.132 0.764 -4.096 1.00 0.00 H new ATOM 956 N ASN A 56 5.476 5.397 -0.586 1.00 0.00 N ATOM 957 CA ASN A 56 5.331 5.700 0.838 1.00 0.00 C ATOM 958 C ASN A 56 4.000 5.173 1.406 1.00 0.00 C ATOM 959 O ASN A 56 3.110 4.716 0.686 1.00 0.00 O ATOM 960 CB ASN A 56 5.606 7.202 1.083 1.00 0.00 C ATOM 961 CG ASN A 56 4.476 8.152 0.716 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.302 7.827 0.742 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.787 9.388 0.419 1.00 0.00 N ATOM 0 H ASN A 56 4.790 5.868 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 56 6.084 5.159 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.844 7.341 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.493 7.487 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.051 10.064 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.765 9.676 0.393 1.00 0.00 H new ATOM 970 N ALA A 57 3.879 5.250 2.727 1.00 0.00 N ATOM 971 CA ALA A 57 2.721 4.799 3.491 1.00 0.00 C ATOM 972 C ALA A 57 1.593 5.849 3.552 1.00 0.00 C ATOM 973 O ALA A 57 0.434 5.510 3.796 1.00 0.00 O ATOM 974 CB ALA A 57 3.270 4.453 4.874 1.00 0.00 C ATOM 0 H ALA A 57 4.612 5.643 3.317 1.00 0.00 H new ATOM 0 HA ALA A 57 2.246 3.940 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.457 4.104 5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.021 3.668 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.724 5.339 5.317 1.00 0.00 H new ATOM 980 N THR A 58 1.923 7.121 3.314 1.00 0.00 N ATOM 981 CA THR A 58 1.007 8.269 3.353 1.00 0.00 C ATOM 982 C THR A 58 -0.021 8.215 2.220 1.00 0.00 C ATOM 983 O THR A 58 -1.214 8.369 2.462 1.00 0.00 O ATOM 984 CB THR A 58 1.807 9.582 3.290 1.00 0.00 C ATOM 985 OG1 THR A 58 2.820 9.583 4.277 1.00 0.00 O ATOM 986 CG2 THR A 58 0.933 10.811 3.531 1.00 0.00 C ATOM 0 H THR A 58 2.877 7.393 3.078 1.00 0.00 H new ATOM 0 HA THR A 58 0.458 8.226 4.293 1.00 0.00 H new ATOM 0 HB THR A 58 2.228 9.636 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.324 10.422 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.547 11.710 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.152 10.857 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.475 10.744 4.518 1.00 0.00 H new ATOM 994 N GLU A 59 0.403 7.951 0.983 1.00 0.00 N ATOM 995 CA GLU A 59 -0.510 7.851 -0.171 1.00 0.00 C ATOM 996 C GLU A 59 -1.463 6.652 -0.050 1.00 0.00 C ATOM 997 O GLU A 59 -2.674 6.806 -0.224 1.00 0.00 O ATOM 998 CB GLU A 59 0.269 7.793 -1.492 1.00 0.00 C ATOM 999 CG GLU A 59 1.145 9.031 -1.714 1.00 0.00 C ATOM 1000 CD GLU A 59 1.492 9.204 -3.200 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.836 10.018 -3.894 1.00 0.00 O ATOM 1002 OE2 GLU A 59 2.433 8.527 -3.676 1.00 0.00 O ATOM 0 H GLU A 59 1.384 7.800 0.747 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.120 8.755 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.897 6.902 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.433 7.696 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.624 9.918 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.062 8.941 -1.131 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.945 5.477 0.332 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.771 4.321 0.712 1.00 0.00 C ATOM 1011 C LEU A 60 -2.811 4.681 1.787 1.00 0.00 C ATOM 1012 O LEU A 60 -4.006 4.517 1.556 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.884 3.152 1.194 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.508 2.156 0.084 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.477 2.745 -0.922 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.123 0.915 0.716 1.00 0.00 C ATOM 0 H LEU A 60 0.058 5.300 0.387 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.316 4.009 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.029 3.557 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.405 2.617 1.988 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.424 1.906 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.708 2.000 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.034 3.622 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.393 3.034 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.392 0.205 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.018 1.203 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.590 0.451 1.398 1.00 0.00 H new ATOM 1028 N SER A 61 -2.396 5.215 2.939 1.00 0.00 N ATOM 1029 CA SER A 61 -3.296 5.542 4.056 1.00 0.00 C ATOM 1030 C SER A 61 -4.317 6.645 3.734 1.00 0.00 C ATOM 1031 O SER A 61 -5.393 6.665 4.334 1.00 0.00 O ATOM 1032 CB SER A 61 -2.512 5.862 5.336 1.00 0.00 C ATOM 1033 OG SER A 61 -1.538 6.861 5.139 1.00 0.00 O ATOM 0 H SER A 61 -1.418 5.436 3.127 1.00 0.00 H new ATOM 0 HA SER A 61 -3.883 4.640 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.206 6.185 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.029 4.955 5.698 1.00 0.00 H new ATOM 0 HG SER A 61 -0.717 6.454 4.791 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.043 7.486 2.729 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.961 8.511 2.191 1.00 0.00 C ATOM 1041 C LYS A 62 -6.081 7.898 1.347 1.00 0.00 C ATOM 1042 O LYS A 62 -7.251 8.220 1.561 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.176 9.542 1.356 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.496 10.624 2.208 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.463 11.393 1.363 1.00 0.00 C ATOM 1046 CE LYS A 62 -1.919 12.634 2.087 1.00 0.00 C ATOM 1047 NZ LYS A 62 -2.918 13.735 2.159 1.00 0.00 N ATOM 0 H LYS A 62 -3.144 7.475 2.247 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.427 9.008 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.419 9.023 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.855 10.019 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.244 11.314 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.006 10.166 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.635 10.729 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.922 11.697 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.614 12.357 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.027 12.990 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.486 14.566 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.229 13.985 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.738 13.424 2.718 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.742 7.006 0.406 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.716 6.330 -0.479 1.00 0.00 C ATOM 1063 C ARG A 63 -7.487 5.212 0.236 1.00 0.00 C ATOM 1064 O ARG A 63 -8.691 5.069 0.029 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.005 5.779 -1.729 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.837 6.770 -2.892 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.865 7.923 -2.606 1.00 0.00 C ATOM 1068 NE ARG A 63 -4.540 8.673 -3.837 1.00 0.00 N ATOM 1069 CZ ARG A 63 -5.245 9.629 -4.417 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -4.824 10.171 -5.524 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -6.372 10.066 -3.927 1.00 0.00 N ATOM 0 H ARG A 63 -4.776 6.727 0.232 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.450 7.078 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.018 5.422 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.562 4.915 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.488 6.226 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.813 7.187 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.305 8.598 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.949 7.528 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.664 8.422 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.949 9.858 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.369 10.909 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.741 9.668 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.884 10.806 -4.407 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.808 4.443 1.090 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.375 3.316 1.849 1.00 0.00 C ATOM 1087 C LEU A 64 -8.120 3.757 3.122 1.00 0.00 C ATOM 1088 O LEU A 64 -8.965 3.011 3.619 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.244 2.342 2.226 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.460 1.734 1.050 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.221 1.019 1.582 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.302 0.727 0.276 1.00 0.00 C ATOM 0 H LEU A 64 -5.817 4.589 1.281 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.110 2.831 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.541 2.866 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.672 1.528 2.811 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.183 2.547 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.664 0.588 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.588 1.732 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.524 0.226 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.715 0.319 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.606 -0.081 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.188 1.222 -0.121 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.815 4.952 3.646 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.375 5.504 4.891 1.00 0.00 C ATOM 1106 C ASN A 65 -8.071 4.603 6.113 1.00 0.00 C ATOM 1107 O ASN A 65 -8.960 4.109 6.812 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.855 5.893 4.680 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.376 6.861 5.733 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.568 8.044 5.486 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.623 6.403 6.939 1.00 0.00 N ATOM 0 H ASN A 65 -7.149 5.584 3.201 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.871 6.436 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.969 6.343 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.466 4.991 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.972 7.032 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.466 5.418 7.153 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.774 4.394 6.341 1.00 0.00 N ATOM 1119 CA ILE A 66 -6.162 3.667 7.471 1.00 0.00 C ATOM 1120 C ILE A 66 -5.162 4.585 8.196 1.00 0.00 C ATOM 1121 O ILE A 66 -4.920 5.717 7.773 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.481 2.354 6.995 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.500 2.618 5.834 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.533 1.302 6.623 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.730 1.409 5.297 1.00 0.00 C ATOM 0 H ILE A 66 -6.067 4.751 5.699 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.947 3.383 8.171 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.894 1.957 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.060 3.059 5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.776 3.364 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.035 0.391 6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.151 1.082 7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.161 1.684 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.075 1.726 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.131 0.974 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.434 0.665 4.926 1.00 0.00 H new ATOM 1137 N THR A 67 -4.539 4.094 9.267 1.00 0.00 N ATOM 1138 CA THR A 67 -3.339 4.727 9.839 1.00 0.00 C ATOM 1139 C THR A 67 -2.101 4.416 8.990 1.00 0.00 C ATOM 1140 O THR A 67 -1.981 3.328 8.416 1.00 0.00 O ATOM 1141 CB THR A 67 -3.140 4.357 11.318 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.030 5.066 11.821 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.877 2.872 11.570 1.00 0.00 C ATOM 0 H THR A 67 -4.843 3.256 9.762 1.00 0.00 H new ATOM 0 HA THR A 67 -3.490 5.806 9.815 1.00 0.00 H new ATOM 0 HB THR A 67 -4.076 4.614 11.815 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.896 4.838 12.765 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.749 2.701 12.639 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.722 2.286 11.208 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.973 2.568 11.043 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.152 5.355 8.941 1.00 0.00 N ATOM 1152 CA VAL A 68 0.153 5.209 8.266 1.00 0.00 C ATOM 1153 C VAL A 68 0.888 3.956 8.757 1.00 0.00 C ATOM 1154 O VAL A 68 1.536 3.251 7.984 1.00 0.00 O ATOM 1155 CB VAL A 68 1.033 6.452 8.533 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.313 6.443 7.689 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.309 7.771 8.223 1.00 0.00 C ATOM 0 H VAL A 68 -1.268 6.268 9.381 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.032 5.113 7.196 1.00 0.00 H new ATOM 0 HB VAL A 68 1.269 6.396 9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.900 7.334 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.899 5.555 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.051 6.433 6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.975 8.609 8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.018 7.788 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.581 7.853 8.847 1.00 0.00 H new ATOM 1167 N ASP A 69 0.730 3.632 10.042 1.00 0.00 N ATOM 1168 CA ASP A 69 1.419 2.520 10.692 1.00 0.00 C ATOM 1169 C ASP A 69 0.929 1.131 10.262 1.00 0.00 C ATOM 1170 O ASP A 69 1.713 0.179 10.303 1.00 0.00 O ATOM 1171 CB ASP A 69 1.336 2.688 12.216 1.00 0.00 C ATOM 1172 CG ASP A 69 2.203 3.850 12.724 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.405 3.625 13.001 1.00 0.00 O ATOM 1174 OD2 ASP A 69 1.689 4.986 12.861 1.00 0.00 O ATOM 0 H ASP A 69 0.109 4.144 10.669 1.00 0.00 H new ATOM 0 HA ASP A 69 2.457 2.562 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.299 2.859 12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.653 1.764 12.699 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.315 1.000 9.774 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.769 -0.236 9.126 1.00 0.00 C ATOM 1181 C LYS A 70 -0.250 -0.334 7.704 1.00 0.00 C ATOM 1182 O LYS A 70 0.160 -1.416 7.302 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.303 -0.352 9.156 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.825 -0.821 10.523 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.344 -1.048 10.459 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.904 -1.721 11.721 1.00 0.00 C ATOM 1187 NZ LYS A 70 -4.892 -0.823 12.907 1.00 0.00 N ATOM 0 H LYS A 70 -1.021 1.735 9.817 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.358 -1.071 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.743 0.615 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.628 -1.052 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.324 -1.744 10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.592 -0.077 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.843 -0.090 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.577 -1.665 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.926 -2.049 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.319 -2.614 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.280 -1.328 13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.915 -0.530 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.472 0.018 12.712 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.179 0.776 6.971 1.00 0.00 N ATOM 1202 CA ALA A 71 0.292 0.764 5.584 1.00 0.00 C ATOM 1203 C ALA A 71 1.772 0.359 5.532 1.00 0.00 C ATOM 1204 O ALA A 71 2.137 -0.564 4.804 1.00 0.00 O ATOM 1205 CB ALA A 71 0.039 2.144 4.956 1.00 0.00 C ATOM 0 H ALA A 71 -0.442 1.699 7.315 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.259 0.024 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.387 2.143 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.028 2.364 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.579 2.905 5.520 1.00 0.00 H new ATOM 1211 N LYS A 72 2.608 0.975 6.380 1.00 0.00 N ATOM 1212 CA LYS A 72 4.066 0.755 6.371 1.00 0.00 C ATOM 1213 C LYS A 72 4.481 -0.677 6.734 1.00 0.00 C ATOM 1214 O LYS A 72 5.481 -1.158 6.201 1.00 0.00 O ATOM 1215 CB LYS A 72 4.787 1.829 7.204 1.00 0.00 C ATOM 1216 CG LYS A 72 4.809 1.562 8.715 1.00 0.00 C ATOM 1217 CD LYS A 72 5.374 2.781 9.461 1.00 0.00 C ATOM 1218 CE LYS A 72 5.530 2.526 10.967 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.681 1.640 11.285 1.00 0.00 N ATOM 0 H LYS A 72 2.297 1.638 7.090 1.00 0.00 H new ATOM 0 HA LYS A 72 4.395 0.868 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.814 1.916 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.306 2.791 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.801 1.346 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.417 0.683 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.343 3.045 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.715 3.635 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.658 3.479 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.614 2.077 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.739 1.502 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.550 0.720 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.561 2.078 10.944 1.00 0.00 H new ATOM 1233 N THR A 73 3.713 -1.380 7.580 1.00 0.00 N ATOM 1234 CA THR A 73 3.986 -2.798 7.890 1.00 0.00 C ATOM 1235 C THR A 73 3.271 -3.759 6.938 1.00 0.00 C ATOM 1236 O THR A 73 3.823 -4.799 6.572 1.00 0.00 O ATOM 1237 CB THR A 73 3.713 -3.118 9.368 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.366 -4.323 9.700 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.233 -3.273 9.720 1.00 0.00 C ATOM 0 H THR A 73 2.901 -0.995 8.062 1.00 0.00 H new ATOM 0 HA THR A 73 5.051 -2.957 7.723 1.00 0.00 H new ATOM 0 HB THR A 73 4.086 -2.265 9.934 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.200 -4.536 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.133 -3.498 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.706 -2.346 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.803 -4.086 9.135 1.00 0.00 H new ATOM 1247 N TYR A 74 2.076 -3.407 6.457 1.00 0.00 N ATOM 1248 CA TYR A 74 1.327 -4.226 5.505 1.00 0.00 C ATOM 1249 C TYR A 74 2.062 -4.390 4.165 1.00 0.00 C ATOM 1250 O TYR A 74 2.074 -5.489 3.609 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.063 -3.620 5.302 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.848 -4.339 4.239 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.122 -3.694 3.020 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.201 -5.686 4.430 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.765 -4.399 1.992 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.803 -6.404 3.386 1.00 0.00 C ATOM 1257 CZ TYR A 74 -2.086 -5.767 2.160 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.647 -6.491 1.154 1.00 0.00 O ATOM 0 H TYR A 74 1.601 -2.543 6.719 1.00 0.00 H new ATOM 0 HA TYR A 74 1.230 -5.228 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.613 -3.654 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.037 -2.569 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.839 -2.662 2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.009 -6.167 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.016 -3.896 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.050 -7.447 3.521 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.794 -7.412 1.456 1.00 0.00 H new ATOM 1268 N ILE A 75 2.748 -3.336 3.698 1.00 0.00 N ATOM 1269 CA ILE A 75 3.634 -3.376 2.525 1.00 0.00 C ATOM 1270 C ILE A 75 4.622 -4.555 2.643 1.00 0.00 C ATOM 1271 O ILE A 75 4.539 -5.504 1.860 1.00 0.00 O ATOM 1272 CB ILE A 75 4.336 -2.004 2.350 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.358 -0.914 1.847 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.505 -2.107 1.356 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.840 0.510 2.180 1.00 0.00 C ATOM 0 H ILE A 75 2.702 -2.415 4.133 1.00 0.00 H new ATOM 0 HA ILE A 75 3.051 -3.551 1.621 1.00 0.00 H new ATOM 0 HB ILE A 75 4.708 -1.720 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.236 -1.010 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.377 -1.076 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.980 -1.132 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.234 -2.828 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.130 -2.434 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.118 1.235 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.936 0.618 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.808 0.686 1.710 1.00 0.00 H new ATOM 1287 N LYS A 76 5.505 -4.563 3.654 1.00 0.00 N ATOM 1288 CA LYS A 76 6.492 -5.644 3.846 1.00 0.00 C ATOM 1289 C LYS A 76 5.866 -7.014 4.135 1.00 0.00 C ATOM 1290 O LYS A 76 6.424 -8.026 3.725 1.00 0.00 O ATOM 1291 CB LYS A 76 7.550 -5.261 4.899 1.00 0.00 C ATOM 1292 CG LYS A 76 6.990 -5.086 6.321 1.00 0.00 C ATOM 1293 CD LYS A 76 8.103 -4.950 7.366 1.00 0.00 C ATOM 1294 CE LYS A 76 7.483 -4.873 8.767 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.523 -4.853 9.829 1.00 0.00 N ATOM 0 H LYS A 76 5.557 -3.827 4.358 1.00 0.00 H new ATOM 0 HA LYS A 76 6.997 -5.757 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.323 -6.029 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.031 -4.332 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.353 -4.202 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.362 -5.941 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.781 -5.801 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.694 -4.056 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.868 -3.977 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.823 -5.727 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.066 -4.801 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.094 -5.720 9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.137 -4.024 9.698 1.00 0.00 H new ATOM 1309 N ASN A 77 4.690 -7.070 4.766 1.00 0.00 N ATOM 1310 CA ASN A 77 3.961 -8.330 4.985 1.00 0.00 C ATOM 1311 C ASN A 77 3.440 -8.958 3.674 1.00 0.00 C ATOM 1312 O ASN A 77 3.261 -10.175 3.615 1.00 0.00 O ATOM 1313 CB ASN A 77 2.834 -8.119 6.013 1.00 0.00 C ATOM 1314 CG ASN A 77 3.323 -8.266 7.445 1.00 0.00 C ATOM 1315 OD1 ASN A 77 3.267 -9.337 8.035 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.834 -7.220 8.049 1.00 0.00 N ATOM 0 H ASN A 77 4.215 -6.248 5.140 1.00 0.00 H new ATOM 0 HA ASN A 77 4.668 -9.053 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.404 -7.126 5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.037 -8.839 5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.182 -7.302 9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.884 -6.324 7.563 1.00 0.00 H new ATOM 1420 N THR A 84 11.814 -8.838 -5.577 1.00 0.00 N ATOM 1421 CA THR A 84 11.039 -9.742 -6.452 1.00 0.00 C ATOM 1422 C THR A 84 11.808 -10.978 -6.955 1.00 0.00 C ATOM 1423 O THR A 84 11.428 -11.602 -7.947 1.00 0.00 O ATOM 1424 CB THR A 84 10.344 -8.953 -7.584 1.00 0.00 C ATOM 1425 OG1 THR A 84 11.226 -8.133 -8.321 1.00 0.00 O ATOM 1426 CG2 THR A 84 9.249 -8.041 -7.029 1.00 0.00 C ATOM 0 HA THR A 84 10.263 -10.175 -5.820 1.00 0.00 H new ATOM 0 HB THR A 84 9.932 -9.718 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.973 -7.860 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.777 -7.498 -7.848 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.500 -8.643 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.688 -7.331 -6.328 1.00 0.00 H new ATOM 1434 N ASN A 85 12.909 -11.333 -6.277 1.00 0.00 N ATOM 1435 CA ASN A 85 13.929 -12.293 -6.712 1.00 0.00 C ATOM 1436 C ASN A 85 14.397 -12.080 -8.175 1.00 0.00 C ATOM 1437 O ASN A 85 14.688 -13.042 -8.892 1.00 0.00 O ATOM 1438 CB ASN A 85 13.464 -13.722 -6.351 1.00 0.00 C ATOM 1439 CG ASN A 85 14.614 -14.664 -6.021 1.00 0.00 C ATOM 1440 OD1 ASN A 85 14.786 -15.100 -4.891 1.00 0.00 O ATOM 1441 ND2 ASN A 85 15.439 -15.007 -6.983 1.00 0.00 N ATOM 0 H ASN A 85 13.121 -10.936 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 85 14.853 -12.116 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.788 -13.672 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.895 -14.133 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.219 -15.634 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.300 -14.646 -7.927 1.00 0.00 H new ATOM 1448 N ASN A 86 14.447 -10.820 -8.636 1.00 0.00 N ATOM 1449 CA ASN A 86 14.816 -10.442 -10.011 1.00 0.00 C ATOM 1450 C ASN A 86 16.250 -9.877 -10.157 1.00 0.00 C ATOM 1451 O ASN A 86 16.749 -9.726 -11.271 1.00 0.00 O ATOM 1452 CB ASN A 86 13.721 -9.529 -10.608 1.00 0.00 C ATOM 1453 CG ASN A 86 14.066 -8.048 -10.588 1.00 0.00 C ATOM 1454 OD1 ASN A 86 14.322 -7.429 -11.610 1.00 0.00 O ATOM 1455 ND2 ASN A 86 14.110 -7.436 -9.431 1.00 0.00 N ATOM 0 H ASN A 86 14.227 -10.016 -8.049 1.00 0.00 H new ATOM 0 HA ASN A 86 14.859 -11.356 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.532 -9.833 -11.638 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.794 -9.682 -10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.357 -6.447 -9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.897 -7.948 -8.575 1.00 0.00 H new ATOM 1462 N PHE A 87 16.938 -9.612 -9.043 1.00 0.00 N ATOM 1463 CA PHE A 87 18.249 -8.938 -8.945 1.00 0.00 C ATOM 1464 C PHE A 87 19.466 -9.766 -9.442 1.00 0.00 C ATOM 1465 O PHE A 87 20.620 -9.436 -9.164 1.00 0.00 O ATOM 1466 CB PHE A 87 18.410 -8.459 -7.490 1.00 0.00 C ATOM 1467 CG PHE A 87 18.536 -9.577 -6.468 1.00 0.00 C ATOM 1468 CD1 PHE A 87 17.389 -10.112 -5.849 1.00 0.00 C ATOM 1469 CD2 PHE A 87 19.805 -10.098 -6.149 1.00 0.00 C ATOM 1470 CE1 PHE A 87 17.510 -11.183 -4.946 1.00 0.00 C ATOM 1471 CE2 PHE A 87 19.924 -11.171 -5.250 1.00 0.00 C ATOM 1472 CZ PHE A 87 18.776 -11.718 -4.650 1.00 0.00 C ATOM 0 H PHE A 87 16.578 -9.876 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 87 18.248 -8.097 -9.638 1.00 0.00 H new ATOM 0 HB2 PHE A 87 19.294 -7.824 -7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 87 17.552 -7.839 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.416 -9.699 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 87 20.690 -9.671 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.628 -11.596 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 87 20.898 -11.576 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 87 18.867 -12.547 -3.964 1.00 0.00 H new ATOM 1482 N LYS A 88 19.214 -10.853 -10.179 1.00 0.00 N ATOM 1483 CA LYS A 88 20.142 -11.950 -10.530 1.00 0.00 C ATOM 1484 C LYS A 88 20.891 -11.768 -11.858 1.00 0.00 C ATOM 1485 O LYS A 88 21.740 -12.587 -12.206 1.00 0.00 O ATOM 1486 CB LYS A 88 19.327 -13.257 -10.512 1.00 0.00 C ATOM 1487 CG LYS A 88 18.211 -13.289 -11.581 1.00 0.00 C ATOM 1488 CD LYS A 88 17.006 -14.128 -11.135 1.00 0.00 C ATOM 1489 CE LYS A 88 15.779 -13.784 -11.991 1.00 0.00 C ATOM 1490 NZ LYS A 88 14.552 -14.436 -11.465 1.00 0.00 N ATOM 0 H LYS A 88 18.288 -11.007 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 88 20.944 -11.964 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.999 -14.100 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 88 18.881 -13.387 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.884 -12.271 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.611 -13.696 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.238 -15.189 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.790 -13.939 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.639 -12.703 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.950 -14.102 -13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.744 -14.198 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.685 -15.467 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.367 -14.100 -10.498 1.00 0.00 H new ATOM 1504 N THR A 89 20.561 -10.703 -12.590 1.00 0.00 N ATOM 1505 CA THR A 89 20.961 -10.451 -13.980 1.00 0.00 C ATOM 1506 C THR A 89 21.169 -8.953 -14.214 1.00 0.00 C ATOM 1507 O THR A 89 22.187 -8.541 -14.767 1.00 0.00 O ATOM 1508 CB THR A 89 19.860 -10.987 -14.914 1.00 0.00 C ATOM 1509 OG1 THR A 89 19.747 -12.390 -14.789 1.00 0.00 O ATOM 1510 CG2 THR A 89 20.128 -10.684 -16.379 1.00 0.00 C ATOM 0 H THR A 89 19.979 -9.955 -12.214 1.00 0.00 H new ATOM 0 HA THR A 89 21.903 -10.959 -14.187 1.00 0.00 H new ATOM 0 HB THR A 89 18.943 -10.483 -14.610 1.00 0.00 H new ATOM 0 HG1 THR A 89 19.042 -12.716 -15.387 1.00 0.00 H new ATOM 0 HG21 THR A 89 19.318 -11.086 -16.988 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.188 -9.605 -16.522 1.00 0.00 H new ATOM 0 HG23 THR A 89 21.070 -11.143 -16.679 1.00 0.00 H new ATOM 1518 N ILE A 90 20.231 -8.120 -13.745 1.00 0.00 N ATOM 1519 CA ILE A 90 20.331 -6.658 -13.767 1.00 0.00 C ATOM 1520 C ILE A 90 21.481 -6.157 -12.880 1.00 0.00 C ATOM 1521 O ILE A 90 22.040 -6.915 -12.086 1.00 0.00 O ATOM 1522 CB ILE A 90 18.976 -6.025 -13.388 1.00 0.00 C ATOM 1523 CG1 ILE A 90 18.492 -6.459 -11.987 1.00 0.00 C ATOM 1524 CG2 ILE A 90 17.933 -6.339 -14.477 1.00 0.00 C ATOM 1525 CD1 ILE A 90 17.385 -5.549 -11.449 1.00 0.00 C ATOM 0 H ILE A 90 19.361 -8.454 -13.330 1.00 0.00 H new ATOM 0 HA ILE A 90 20.571 -6.342 -14.782 1.00 0.00 H new ATOM 0 HB ILE A 90 19.111 -4.945 -13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 90 18.126 -7.485 -12.033 1.00 0.00 H new ATOM 0 HG13 ILE A 90 19.334 -6.451 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 90 16.977 -5.890 -14.206 1.00 0.00 H new ATOM 0 HG22 ILE A 90 18.268 -5.930 -15.430 1.00 0.00 H new ATOM 0 HG23 ILE A 90 17.814 -7.419 -14.567 1.00 0.00 H new ATOM 0 HD11 ILE A 90 17.078 -5.894 -10.462 1.00 0.00 H new ATOM 0 HD12 ILE A 90 17.757 -4.527 -11.376 1.00 0.00 H new ATOM 0 HD13 ILE A 90 16.531 -5.577 -12.125 1.00 0.00 H new ATOM 1537 N LYS A 91 21.839 -4.874 -13.024 1.00 0.00 N ATOM 1538 CA LYS A 91 22.957 -4.188 -12.334 1.00 0.00 C ATOM 1539 C LYS A 91 24.375 -4.661 -12.713 1.00 0.00 C ATOM 1540 O LYS A 91 25.340 -3.993 -12.338 1.00 0.00 O ATOM 1541 CB LYS A 91 22.755 -4.221 -10.798 1.00 0.00 C ATOM 1542 CG LYS A 91 21.385 -3.804 -10.228 1.00 0.00 C ATOM 1543 CD LYS A 91 21.071 -2.299 -10.287 1.00 0.00 C ATOM 1544 CE LYS A 91 20.566 -1.832 -11.659 1.00 0.00 C ATOM 1545 NZ LYS A 91 20.206 -0.389 -11.641 1.00 0.00 N ATOM 0 H LYS A 91 21.336 -4.249 -13.654 1.00 0.00 H new ATOM 0 HA LYS A 91 22.912 -3.161 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 91 22.960 -5.236 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 91 23.511 -3.576 -10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.607 -4.341 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.330 -4.128 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.320 -2.063 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.969 -1.738 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.335 -2.007 -12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.697 -2.422 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.868 -0.104 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.455 -0.227 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.043 0.174 -11.388 1.00 0.00 H new ATOM 1559 N MET A 92 24.529 -5.763 -13.461 1.00 0.00 N ATOM 1560 CA MET A 92 25.834 -6.349 -13.826 1.00 0.00 C ATOM 1561 C MET A 92 25.872 -6.947 -15.248 1.00 0.00 C ATOM 1562 O MET A 92 26.726 -7.781 -15.559 1.00 0.00 O ATOM 1563 CB MET A 92 26.260 -7.356 -12.738 1.00 0.00 C ATOM 1564 CG MET A 92 25.289 -8.534 -12.582 1.00 0.00 C ATOM 1565 SD MET A 92 25.649 -9.594 -11.157 1.00 0.00 S ATOM 1566 CE MET A 92 24.100 -10.533 -11.119 1.00 0.00 C ATOM 0 H MET A 92 23.737 -6.284 -13.838 1.00 0.00 H new ATOM 0 HA MET A 92 26.565 -5.542 -13.865 1.00 0.00 H new ATOM 0 HB2 MET A 92 27.251 -7.741 -12.978 1.00 0.00 H new ATOM 0 HB3 MET A 92 26.343 -6.835 -11.784 1.00 0.00 H new ATOM 0 HG2 MET A 92 24.275 -8.147 -12.488 1.00 0.00 H new ATOM 0 HG3 MET A 92 25.317 -9.138 -13.489 1.00 0.00 H new ATOM 0 HE1 MET A 92 24.128 -11.249 -10.297 1.00 0.00 H new ATOM 0 HE2 MET A 92 23.263 -9.849 -10.976 1.00 0.00 H new ATOM 0 HE3 MET A 92 23.975 -11.067 -12.061 1.00 0.00 H new ATOM 1576 N PHE A 93 24.935 -6.537 -16.112 1.00 0.00 N ATOM 1577 CA PHE A 93 24.775 -7.063 -17.478 1.00 0.00 C ATOM 1578 C PHE A 93 24.144 -6.041 -18.445 1.00 0.00 C ATOM 1579 O PHE A 93 24.581 -5.913 -19.590 1.00 0.00 O ATOM 1580 CB PHE A 93 23.911 -8.331 -17.402 1.00 0.00 C ATOM 1581 CG PHE A 93 24.011 -9.224 -18.616 1.00 0.00 C ATOM 1582 CD1 PHE A 93 23.047 -9.150 -19.637 1.00 0.00 C ATOM 1583 CD2 PHE A 93 25.071 -10.144 -18.713 1.00 0.00 C ATOM 1584 CE1 PHE A 93 23.146 -9.994 -20.759 1.00 0.00 C ATOM 1585 CE2 PHE A 93 25.170 -10.988 -19.834 1.00 0.00 C ATOM 1586 CZ PHE A 93 24.207 -10.913 -20.857 1.00 0.00 C ATOM 0 H PHE A 93 24.252 -5.816 -15.879 1.00 0.00 H new ATOM 0 HA PHE A 93 25.764 -7.286 -17.879 1.00 0.00 H new ATOM 0 HB2 PHE A 93 24.201 -8.902 -16.520 1.00 0.00 H new ATOM 0 HB3 PHE A 93 22.870 -8.040 -17.264 1.00 0.00 H new ATOM 0 HD1 PHE A 93 22.231 -8.446 -19.560 1.00 0.00 H new ATOM 0 HD2 PHE A 93 25.809 -10.202 -17.927 1.00 0.00 H new ATOM 0 HE1 PHE A 93 22.407 -9.936 -21.545 1.00 0.00 H new ATOM 0 HE2 PHE A 93 25.985 -11.693 -19.909 1.00 0.00 H new ATOM 0 HZ PHE A 93 24.282 -11.561 -21.718 1.00 0.00 H new ATOM 1596 N GLU A 94 23.142 -5.288 -17.978 1.00 0.00 N ATOM 1597 CA GLU A 94 22.484 -4.205 -18.727 1.00 0.00 C ATOM 1598 C GLU A 94 23.282 -2.883 -18.688 1.00 0.00 C ATOM 1599 O GLU A 94 24.099 -2.655 -17.790 1.00 0.00 O ATOM 1600 CB GLU A 94 21.061 -3.984 -18.174 1.00 0.00 C ATOM 1601 CG GLU A 94 20.125 -5.194 -18.331 1.00 0.00 C ATOM 1602 CD GLU A 94 19.849 -5.528 -19.811 1.00 0.00 C ATOM 1603 OE1 GLU A 94 20.356 -6.561 -20.311 1.00 0.00 O ATOM 1604 OE2 GLU A 94 19.120 -4.760 -20.486 1.00 0.00 O ATOM 0 H GLU A 94 22.754 -5.416 -17.044 1.00 0.00 H new ATOM 0 HA GLU A 94 22.436 -4.513 -19.771 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.131 -3.728 -17.117 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.616 -3.127 -18.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.569 -6.061 -17.841 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.182 -4.990 -17.824 1.00 0.00 H new