USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 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= -0.183 X(o=-0.18,f=0) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.762 K(o=1.6,f=-3.1) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -166:sc= 0.837 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.657 K(o=0.66,f=-8.7!) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.901) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.352 K(o=0.35,f=-8.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -21:sc= 0.282 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.13) USER MOD Single : A 65 ASN : amide:sc= 0.32 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 -33:sc= 0.0224 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.023 X(o=-0.023,f=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 -175:sc= 0 (180deg=-0.0886) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.977 -5.911 3.268 1.00 0.00 N ATOM 624 CA LEU A 35 -8.797 -5.716 1.824 1.00 0.00 C ATOM 625 C LEU A 35 -9.829 -6.511 1.009 1.00 0.00 C ATOM 626 O LEU A 35 -9.867 -7.740 1.050 1.00 0.00 O ATOM 627 CB LEU A 35 -7.371 -6.116 1.389 1.00 0.00 C ATOM 628 CG LEU A 35 -6.295 -5.040 1.632 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.418 -5.359 2.843 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.385 -4.926 0.406 1.00 0.00 C ATOM 0 HA LEU A 35 -8.948 -4.655 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.085 -7.023 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.386 -6.362 0.327 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.823 -4.105 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.676 -4.571 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.040 -5.422 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.912 -6.312 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.627 -4.164 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.899 -5.885 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.980 -4.649 -0.464 1.00 0.00 H new ATOM 642 N SER A 36 -10.599 -5.794 0.191 1.00 0.00 N ATOM 643 CA SER A 36 -11.654 -6.335 -0.684 1.00 0.00 C ATOM 644 C SER A 36 -11.209 -6.423 -2.134 1.00 0.00 C ATOM 645 O SER A 36 -10.946 -7.515 -2.638 1.00 0.00 O ATOM 646 CB SER A 36 -12.981 -5.579 -0.519 1.00 0.00 C ATOM 647 OG SER A 36 -13.479 -5.740 0.801 1.00 0.00 O ATOM 0 H SER A 36 -10.506 -4.781 0.112 1.00 0.00 H new ATOM 0 HA SER A 36 -11.839 -7.359 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.833 -4.520 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.711 -5.951 -1.238 1.00 0.00 H new ATOM 0 HG SER A 36 -14.324 -5.252 0.894 1.00 0.00 H new ATOM 653 N GLU A 37 -11.094 -5.287 -2.809 1.00 0.00 N ATOM 654 CA GLU A 37 -10.802 -5.233 -4.242 1.00 0.00 C ATOM 655 C GLU A 37 -10.307 -3.849 -4.661 1.00 0.00 C ATOM 656 O GLU A 37 -9.273 -3.716 -5.316 1.00 0.00 O ATOM 657 CB GLU A 37 -12.085 -5.620 -5.002 1.00 0.00 C ATOM 658 CG GLU A 37 -11.721 -6.597 -6.114 1.00 0.00 C ATOM 659 CD GLU A 37 -12.947 -6.981 -6.962 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.213 -6.307 -7.987 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.649 -7.964 -6.617 1.00 0.00 O ATOM 0 H GLU A 37 -11.201 -4.369 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.000 -5.932 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.805 -6.074 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.559 -4.732 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.961 -6.151 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.284 -7.496 -5.679 1.00 0.00 H new ATOM 668 N GLU A 38 -10.980 -2.810 -4.166 1.00 0.00 N ATOM 669 CA GLU A 38 -10.535 -1.414 -4.299 1.00 0.00 C ATOM 670 C GLU A 38 -9.174 -1.205 -3.618 1.00 0.00 C ATOM 671 O GLU A 38 -8.336 -0.453 -4.109 1.00 0.00 O ATOM 672 CB GLU A 38 -11.576 -0.473 -3.668 1.00 0.00 C ATOM 673 CG GLU A 38 -12.904 -0.409 -4.435 1.00 0.00 C ATOM 674 CD GLU A 38 -12.745 0.289 -5.801 1.00 0.00 C ATOM 675 OE1 GLU A 38 -12.723 1.546 -5.840 1.00 0.00 O ATOM 676 OE2 GLU A 38 -12.640 -0.409 -6.836 1.00 0.00 O ATOM 0 H GLU A 38 -11.858 -2.910 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.430 -1.188 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.773 -0.798 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.154 0.530 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.286 -1.419 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.643 0.125 -3.838 1.00 0.00 H new ATOM 683 N GLN A 39 -8.921 -1.922 -2.517 1.00 0.00 N ATOM 684 CA GLN A 39 -7.702 -1.812 -1.715 1.00 0.00 C ATOM 685 C GLN A 39 -6.476 -2.347 -2.471 1.00 0.00 C ATOM 686 O GLN A 39 -5.410 -1.734 -2.437 1.00 0.00 O ATOM 687 CB GLN A 39 -7.910 -2.515 -0.365 1.00 0.00 C ATOM 688 CG GLN A 39 -9.002 -1.873 0.516 1.00 0.00 C ATOM 689 CD GLN A 39 -10.434 -2.115 0.049 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.739 -3.063 -0.665 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.357 -1.258 0.412 1.00 0.00 N ATOM 0 H GLN A 39 -9.577 -2.612 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.498 -0.759 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.171 -3.558 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.968 -2.513 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.898 -2.254 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.827 -0.798 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.112 -0.466 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.320 -1.383 0.100 1.00 0.00 H new ATOM 700 N LYS A 40 -6.629 -3.429 -3.247 1.00 0.00 N ATOM 701 CA LYS A 40 -5.575 -3.913 -4.160 1.00 0.00 C ATOM 702 C LYS A 40 -5.290 -2.943 -5.302 1.00 0.00 C ATOM 703 O LYS A 40 -4.126 -2.731 -5.640 1.00 0.00 O ATOM 704 CB LYS A 40 -5.947 -5.295 -4.721 1.00 0.00 C ATOM 705 CG LYS A 40 -5.682 -6.411 -3.696 1.00 0.00 C ATOM 706 CD LYS A 40 -6.841 -7.419 -3.561 1.00 0.00 C ATOM 707 CE LYS A 40 -7.383 -7.377 -2.128 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.418 -8.411 -1.871 1.00 0.00 N ATOM 0 H LYS A 40 -7.479 -3.992 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.661 -3.990 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.000 -5.302 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.372 -5.488 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.778 -6.948 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.490 -5.960 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.633 -7.177 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.494 -8.424 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.558 -7.514 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.805 -6.391 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.589 -8.485 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.301 -8.145 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.090 -9.329 -2.234 1.00 0.00 H new ATOM 722 N LYS A 41 -6.319 -2.256 -5.804 1.00 0.00 N ATOM 723 CA LYS A 41 -6.178 -1.150 -6.780 1.00 0.00 C ATOM 724 C LYS A 41 -5.440 0.092 -6.239 1.00 0.00 C ATOM 725 O LYS A 41 -5.211 1.037 -6.991 1.00 0.00 O ATOM 726 CB LYS A 41 -7.544 -0.787 -7.394 1.00 0.00 C ATOM 727 CG LYS A 41 -8.140 -1.935 -8.220 1.00 0.00 C ATOM 728 CD LYS A 41 -9.523 -1.550 -8.766 1.00 0.00 C ATOM 729 CE LYS A 41 -10.152 -2.660 -9.620 1.00 0.00 C ATOM 730 NZ LYS A 41 -9.483 -2.807 -10.941 1.00 0.00 N ATOM 0 H LYS A 41 -7.288 -2.447 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.528 -1.530 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.237 -0.519 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.432 0.093 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.473 -2.180 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.223 -2.829 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.186 -1.318 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.434 -0.643 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.096 -3.605 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.209 -2.442 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.943 -3.568 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.558 -1.914 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.480 -3.042 -10.798 1.00 0.00 H new ATOM 744 N ILE A 42 -5.027 0.079 -4.968 1.00 0.00 N ATOM 745 CA ILE A 42 -4.214 1.116 -4.301 1.00 0.00 C ATOM 746 C ILE A 42 -2.812 0.596 -3.915 1.00 0.00 C ATOM 747 O ILE A 42 -1.922 1.398 -3.633 1.00 0.00 O ATOM 748 CB ILE A 42 -5.020 1.652 -3.095 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.309 2.358 -3.580 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.239 2.613 -2.182 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.436 2.203 -2.562 1.00 0.00 C ATOM 0 H ILE A 42 -5.259 -0.691 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.019 1.939 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.255 0.772 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.107 3.416 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.619 1.939 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.881 2.939 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.366 2.101 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.916 3.480 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.329 2.709 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.652 1.145 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.132 2.645 -1.613 1.00 0.00 H new ATOM 763 N VAL A 43 -2.580 -0.727 -3.932 1.00 0.00 N ATOM 764 CA VAL A 43 -1.320 -1.355 -3.475 1.00 0.00 C ATOM 765 C VAL A 43 -0.683 -2.238 -4.543 1.00 0.00 C ATOM 766 O VAL A 43 0.427 -1.946 -4.973 1.00 0.00 O ATOM 767 CB VAL A 43 -1.500 -2.129 -2.154 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.127 -2.576 -1.628 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.167 -1.249 -1.094 1.00 0.00 C ATOM 0 H VAL A 43 -3.268 -1.402 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.631 -0.532 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.133 -2.995 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.256 -3.123 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.352 -3.222 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.498 -1.700 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.284 -1.817 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.547 -0.373 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.147 -0.930 -1.450 1.00 0.00 H new ATOM 779 N ALA A 44 -1.371 -3.269 -5.037 1.00 0.00 N ATOM 780 CA ALA A 44 -0.868 -4.103 -6.133 1.00 0.00 C ATOM 781 C ALA A 44 -0.673 -3.273 -7.417 1.00 0.00 C ATOM 782 O ALA A 44 0.330 -3.416 -8.120 1.00 0.00 O ATOM 783 CB ALA A 44 -1.849 -5.260 -6.347 1.00 0.00 C ATOM 0 H ALA A 44 -2.289 -3.549 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 44 0.112 -4.506 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.493 -5.893 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.922 -5.849 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.831 -4.862 -6.601 1.00 0.00 H new ATOM 789 N ASP A 45 -1.584 -2.327 -7.667 1.00 0.00 N ATOM 790 CA ASP A 45 -1.450 -1.328 -8.736 1.00 0.00 C ATOM 791 C ASP A 45 -0.254 -0.373 -8.525 1.00 0.00 C ATOM 792 O ASP A 45 0.386 0.039 -9.492 1.00 0.00 O ATOM 793 CB ASP A 45 -2.760 -0.538 -8.826 1.00 0.00 C ATOM 794 CG ASP A 45 -2.773 0.415 -10.034 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.948 -0.070 -11.177 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.628 1.646 -9.844 1.00 0.00 O ATOM 0 H ASP A 45 -2.445 -2.231 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.251 -1.854 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.598 -1.231 -8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.902 0.035 -7.910 1.00 0.00 H new ATOM 801 N TYR A 46 0.099 -0.065 -7.272 1.00 0.00 N ATOM 802 CA TYR A 46 1.232 0.806 -6.927 1.00 0.00 C ATOM 803 C TYR A 46 2.579 0.073 -7.057 1.00 0.00 C ATOM 804 O TYR A 46 3.555 0.608 -7.590 1.00 0.00 O ATOM 805 CB TYR A 46 1.018 1.367 -5.507 1.00 0.00 C ATOM 806 CG TYR A 46 1.699 2.683 -5.161 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.375 3.318 -3.945 1.00 0.00 C ATOM 808 CD2 TYR A 46 2.613 3.299 -6.037 1.00 0.00 C ATOM 809 CE1 TYR A 46 1.900 4.596 -3.648 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.176 4.545 -5.732 1.00 0.00 C ATOM 811 CZ TYR A 46 2.802 5.216 -4.546 1.00 0.00 C ATOM 812 OH TYR A 46 3.348 6.427 -4.255 1.00 0.00 O ATOM 0 H TYR A 46 -0.401 -0.418 -6.456 1.00 0.00 H new ATOM 0 HA TYR A 46 1.272 1.634 -7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.054 1.492 -5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.357 0.615 -4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.723 2.826 -3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.884 2.804 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.613 5.099 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.895 4.992 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 46 3.945 6.700 -4.983 1.00 0.00 H new ATOM 822 N ILE A 47 2.615 -1.204 -6.671 1.00 0.00 N ATOM 823 CA ILE A 47 3.738 -2.120 -6.914 1.00 0.00 C ATOM 824 C ILE A 47 3.991 -2.273 -8.427 1.00 0.00 C ATOM 825 O ILE A 47 5.141 -2.331 -8.865 1.00 0.00 O ATOM 826 CB ILE A 47 3.453 -3.445 -6.154 1.00 0.00 C ATOM 827 CG1 ILE A 47 4.007 -3.426 -4.709 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.033 -4.689 -6.837 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.634 -2.207 -3.858 1.00 0.00 C ATOM 0 H ILE A 47 1.845 -1.644 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 47 4.676 -1.727 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 47 2.365 -3.508 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.657 -4.322 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.094 -3.490 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.793 -5.573 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.604 -4.790 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.116 -4.589 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.078 -2.305 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.009 -1.302 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.550 -2.146 -3.765 1.00 0.00 H new ATOM 841 N SER A 48 2.937 -2.210 -9.246 1.00 0.00 N ATOM 842 CA SER A 48 3.037 -2.151 -10.712 1.00 0.00 C ATOM 843 C SER A 48 3.570 -0.809 -11.259 1.00 0.00 C ATOM 844 O SER A 48 3.990 -0.749 -12.417 1.00 0.00 O ATOM 845 CB SER A 48 1.663 -2.460 -11.322 1.00 0.00 C ATOM 846 OG SER A 48 1.794 -2.990 -12.632 1.00 0.00 O ATOM 0 H SER A 48 1.975 -2.198 -8.907 1.00 0.00 H new ATOM 0 HA SER A 48 3.774 -2.899 -11.004 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.132 -3.172 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.062 -1.551 -11.352 1.00 0.00 H new ATOM 0 HG SER A 48 0.905 -3.180 -12.998 1.00 0.00 H new ATOM 852 N GLU A 49 3.584 0.276 -10.468 1.00 0.00 N ATOM 853 CA GLU A 49 3.891 1.634 -10.942 1.00 0.00 C ATOM 854 C GLU A 49 5.299 2.109 -10.538 1.00 0.00 C ATOM 855 O GLU A 49 6.004 2.688 -11.367 1.00 0.00 O ATOM 856 CB GLU A 49 2.792 2.579 -10.424 1.00 0.00 C ATOM 857 CG GLU A 49 2.819 3.987 -11.032 1.00 0.00 C ATOM 858 CD GLU A 49 2.422 3.992 -12.522 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.207 4.070 -12.831 1.00 0.00 O ATOM 860 OE2 GLU A 49 3.317 3.935 -13.400 1.00 0.00 O ATOM 0 H GLU A 49 3.380 0.234 -9.470 1.00 0.00 H new ATOM 0 HA GLU A 49 3.901 1.635 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.820 2.129 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.885 2.664 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.140 4.633 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.819 4.407 -10.924 1.00 0.00 H new ATOM 867 N VAL A 50 5.730 1.859 -9.289 1.00 0.00 N ATOM 868 CA VAL A 50 6.998 2.395 -8.738 1.00 0.00 C ATOM 869 C VAL A 50 7.925 1.334 -8.126 1.00 0.00 C ATOM 870 O VAL A 50 9.093 1.625 -7.874 1.00 0.00 O ATOM 871 CB VAL A 50 6.738 3.553 -7.750 1.00 0.00 C ATOM 872 CG1 VAL A 50 5.841 4.638 -8.358 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.159 3.074 -6.420 1.00 0.00 C ATOM 0 H VAL A 50 5.212 1.280 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 50 7.541 2.785 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 50 7.715 3.990 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.685 5.432 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.320 5.050 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.880 4.204 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.996 3.930 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.210 2.567 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.857 2.383 -5.947 1.00 0.00 H new ATOM 883 N GLY A 51 7.444 0.111 -7.888 1.00 0.00 N ATOM 884 CA GLY A 51 8.255 -1.059 -7.529 1.00 0.00 C ATOM 885 C GLY A 51 7.683 -1.811 -6.333 1.00 0.00 C ATOM 886 O GLY A 51 7.001 -2.820 -6.487 1.00 0.00 O ATOM 0 H GLY A 51 6.448 -0.101 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.316 -1.732 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.272 -0.738 -7.302 1.00 0.00 H new ATOM 890 N LEU A 52 8.002 -1.312 -5.137 1.00 0.00 N ATOM 891 CA LEU A 52 7.612 -1.867 -3.829 1.00 0.00 C ATOM 892 C LEU A 52 7.988 -0.916 -2.684 1.00 0.00 C ATOM 893 O LEU A 52 7.229 -0.696 -1.746 1.00 0.00 O ATOM 894 CB LEU A 52 8.348 -3.215 -3.645 1.00 0.00 C ATOM 895 CG LEU A 52 8.057 -3.904 -2.300 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.994 -5.416 -2.511 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.115 -3.642 -1.228 1.00 0.00 C ATOM 0 H LEU A 52 8.567 -0.468 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 52 6.531 -2.004 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.064 -3.887 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.421 -3.047 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 52 7.112 -3.487 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.788 -5.908 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.201 -5.652 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.948 -5.769 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.839 -4.161 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.082 -4.007 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.179 -2.571 -1.034 1.00 0.00 H new ATOM 909 N ASN A 53 9.205 -0.387 -2.792 1.00 0.00 N ATOM 910 CA ASN A 53 9.919 0.357 -1.746 1.00 0.00 C ATOM 911 C ASN A 53 10.128 1.856 -2.042 1.00 0.00 C ATOM 912 O ASN A 53 10.636 2.590 -1.193 1.00 0.00 O ATOM 913 CB ASN A 53 11.214 -0.406 -1.386 1.00 0.00 C ATOM 914 CG ASN A 53 12.449 -0.014 -2.182 1.00 0.00 C ATOM 915 OD1 ASN A 53 13.322 0.698 -1.701 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.588 -0.488 -3.397 1.00 0.00 N ATOM 0 H ASN A 53 9.750 -0.467 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 53 9.279 0.394 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.422 -0.253 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.037 -1.472 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.422 -0.264 -3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.862 -1.081 -3.799 1.00 0.00 H new ATOM 923 N ASN A 54 9.725 2.311 -3.233 1.00 0.00 N ATOM 924 CA ASN A 54 9.843 3.709 -3.676 1.00 0.00 C ATOM 925 C ASN A 54 8.572 4.537 -3.388 1.00 0.00 C ATOM 926 O ASN A 54 8.638 5.762 -3.273 1.00 0.00 O ATOM 927 CB ASN A 54 10.217 3.714 -5.166 1.00 0.00 C ATOM 928 CG ASN A 54 11.469 2.897 -5.442 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.559 3.199 -4.979 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.337 1.807 -6.162 1.00 0.00 N ATOM 0 H ASN A 54 9.298 1.706 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 54 10.629 4.198 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.387 3.314 -5.749 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.374 4.741 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.145 1.210 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.426 1.557 -6.547 1.00 0.00 H new ATOM 937 N LEU A 55 7.424 3.863 -3.232 1.00 0.00 N ATOM 938 CA LEU A 55 6.197 4.416 -2.644 1.00 0.00 C ATOM 939 C LEU A 55 6.359 4.736 -1.148 1.00 0.00 C ATOM 940 O LEU A 55 7.291 4.255 -0.498 1.00 0.00 O ATOM 941 CB LEU A 55 5.040 3.429 -2.875 1.00 0.00 C ATOM 942 CG LEU A 55 5.229 2.021 -2.278 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.401 1.826 -1.012 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.798 0.960 -3.286 1.00 0.00 C ATOM 0 H LEU A 55 7.321 2.890 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 55 5.977 5.363 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.130 3.861 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.882 3.329 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 55 6.287 1.920 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.563 0.821 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.703 2.558 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.344 1.960 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.936 -0.031 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.747 1.103 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.402 1.049 -4.189 1.00 0.00 H new ATOM 956 N ASN A 56 5.420 5.505 -0.587 1.00 0.00 N ATOM 957 CA ASN A 56 5.335 5.759 0.849 1.00 0.00 C ATOM 958 C ASN A 56 4.012 5.239 1.439 1.00 0.00 C ATOM 959 O ASN A 56 3.097 4.808 0.732 1.00 0.00 O ATOM 960 CB ASN A 56 5.627 7.251 1.122 1.00 0.00 C ATOM 961 CG ASN A 56 4.522 8.205 0.700 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.339 7.934 0.806 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.861 9.380 0.240 1.00 0.00 N ATOM 0 H ASN A 56 4.691 5.972 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 56 6.101 5.191 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.812 7.381 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.545 7.528 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.140 10.052 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.846 9.625 0.144 1.00 0.00 H new ATOM 970 N ALA A 57 3.929 5.294 2.763 1.00 0.00 N ATOM 971 CA ALA A 57 2.777 4.858 3.540 1.00 0.00 C ATOM 972 C ALA A 57 1.616 5.863 3.499 1.00 0.00 C ATOM 973 O ALA A 57 0.456 5.465 3.523 1.00 0.00 O ATOM 974 CB ALA A 57 3.291 4.675 4.962 1.00 0.00 C ATOM 0 H ALA A 57 4.686 5.655 3.343 1.00 0.00 H new ATOM 0 HA ALA A 57 2.365 3.937 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.474 4.346 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.082 3.926 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.685 5.622 5.331 1.00 0.00 H new ATOM 980 N THR A 58 1.932 7.156 3.417 1.00 0.00 N ATOM 981 CA THR A 58 0.985 8.278 3.496 1.00 0.00 C ATOM 982 C THR A 58 0.011 8.296 2.317 1.00 0.00 C ATOM 983 O THR A 58 -1.199 8.378 2.499 1.00 0.00 O ATOM 984 CB THR A 58 1.764 9.605 3.561 1.00 0.00 C ATOM 985 OG1 THR A 58 2.751 9.541 4.573 1.00 0.00 O ATOM 986 CG2 THR A 58 0.871 10.803 3.872 1.00 0.00 C ATOM 0 H THR A 58 2.895 7.467 3.288 1.00 0.00 H new ATOM 0 HA THR A 58 0.391 8.150 4.401 1.00 0.00 H new ATOM 0 HB THR A 58 2.207 9.742 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.242 10.389 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.476 11.709 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.112 10.902 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.387 10.655 4.837 1.00 0.00 H new ATOM 994 N GLU A 59 0.507 8.161 1.088 1.00 0.00 N ATOM 995 CA GLU A 59 -0.323 8.130 -0.129 1.00 0.00 C ATOM 996 C GLU A 59 -1.221 6.889 -0.201 1.00 0.00 C ATOM 997 O GLU A 59 -2.316 6.932 -0.769 1.00 0.00 O ATOM 998 CB GLU A 59 0.589 8.145 -1.367 1.00 0.00 C ATOM 999 CG GLU A 59 1.361 9.454 -1.565 1.00 0.00 C ATOM 1000 CD GLU A 59 0.403 10.601 -1.930 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.038 10.672 -3.107 1.00 0.00 O ATOM 1002 OE2 GLU A 59 0.050 11.412 -1.040 1.00 0.00 O ATOM 0 H GLU A 59 1.505 8.069 0.901 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.967 9.009 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.302 7.324 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.017 7.957 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.904 9.703 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.103 9.329 -2.354 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.759 5.792 0.398 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.468 4.522 0.494 1.00 0.00 C ATOM 1011 C LEU A 60 -2.571 4.606 1.564 1.00 0.00 C ATOM 1012 O LEU A 60 -3.725 4.285 1.286 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.387 3.451 0.740 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.790 2.002 0.437 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.486 1.165 0.326 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -1.672 1.395 1.527 1.00 0.00 C ATOM 0 H LEU A 60 0.157 5.766 0.847 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.010 4.256 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.485 3.698 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.077 3.510 1.783 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.364 2.002 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.224 0.129 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.109 1.557 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.035 1.212 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.926 0.369 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.134 1.400 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.585 1.982 1.625 1.00 0.00 H new ATOM 1028 N SER A 61 -2.263 5.136 2.752 1.00 0.00 N ATOM 1029 CA SER A 61 -3.207 5.330 3.857 1.00 0.00 C ATOM 1030 C SER A 61 -4.275 6.389 3.568 1.00 0.00 C ATOM 1031 O SER A 61 -5.408 6.240 4.028 1.00 0.00 O ATOM 1032 CB SER A 61 -2.455 5.655 5.152 1.00 0.00 C ATOM 1033 OG SER A 61 -1.860 6.937 5.101 1.00 0.00 O ATOM 0 H SER A 61 -1.320 5.452 2.978 1.00 0.00 H new ATOM 0 HA SER A 61 -3.741 4.387 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.144 5.606 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.685 4.903 5.325 1.00 0.00 H new ATOM 0 HG SER A 61 -1.752 7.211 4.166 1.00 0.00 H new ATOM 1039 N LYS A 62 -3.966 7.397 2.741 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.919 8.422 2.265 1.00 0.00 C ATOM 1041 C LYS A 62 -6.001 7.842 1.347 1.00 0.00 C ATOM 1042 O LYS A 62 -7.164 8.235 1.453 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.155 9.546 1.541 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.500 10.536 2.522 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.418 11.404 1.857 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.966 12.287 0.728 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.879 13.072 0.087 1.00 0.00 N ATOM 0 H LYS A 62 -3.024 7.530 2.372 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.429 8.823 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.387 9.108 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.841 10.086 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.268 11.182 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.057 9.982 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.953 12.037 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.636 10.758 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.458 11.664 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.722 12.964 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.293 13.835 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.268 13.483 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.314 12.448 -0.524 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.635 6.902 0.465 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.552 6.261 -0.500 1.00 0.00 C ATOM 1063 C ARG A 63 -7.278 5.039 0.074 1.00 0.00 C ATOM 1064 O ARG A 63 -8.479 4.883 -0.144 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.782 5.896 -1.779 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.399 7.119 -2.624 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.708 6.664 -3.917 1.00 0.00 C ATOM 1068 NE ARG A 63 -4.436 7.797 -4.823 1.00 0.00 N ATOM 1069 CZ ARG A 63 -3.332 8.521 -4.900 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -3.228 9.458 -5.798 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -2.319 8.342 -4.101 1.00 0.00 N ATOM 0 H ARG A 63 -4.678 6.557 0.397 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.332 6.985 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.877 5.352 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.391 5.222 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.289 7.701 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.735 7.771 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.772 6.163 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.336 5.934 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.187 8.051 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.998 9.634 -6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.376 10.016 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.359 7.621 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.486 8.923 -4.195 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.569 4.189 0.823 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.097 2.958 1.440 1.00 0.00 C ATOM 1087 C LEU A 64 -7.850 3.253 2.760 1.00 0.00 C ATOM 1088 O LEU A 64 -8.680 2.455 3.190 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.913 1.973 1.586 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.210 0.465 1.483 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.901 -0.285 1.233 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.836 -0.146 2.736 1.00 0.00 C ATOM 0 H LEU A 64 -5.581 4.339 1.026 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.856 2.495 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.176 2.221 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.444 2.156 2.553 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.929 0.365 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.102 -1.354 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.453 0.065 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.213 -0.102 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.011 -1.210 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.161 -0.014 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.784 0.349 2.948 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.620 4.430 3.360 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.232 4.913 4.607 1.00 0.00 C ATOM 1106 C ASN A 65 -7.871 4.020 5.815 1.00 0.00 C ATOM 1107 O ASN A 65 -8.707 3.314 6.389 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.735 5.194 4.391 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.348 6.031 5.504 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.613 7.216 5.351 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.588 5.455 6.660 1.00 0.00 N ATOM 0 H ASN A 65 -6.967 5.108 2.967 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.802 5.876 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.870 5.709 3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.270 4.247 4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.993 5.995 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.369 4.468 6.793 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.590 4.070 6.182 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.951 3.341 7.294 1.00 0.00 C ATOM 1120 C ILE A 66 -5.024 4.270 8.096 1.00 0.00 C ATOM 1121 O ILE A 66 -4.817 5.437 7.762 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.173 2.086 6.795 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.344 2.395 5.537 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.122 0.899 6.624 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.467 1.269 4.995 1.00 0.00 C ATOM 0 H ILE A 66 -5.922 4.657 5.682 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.747 2.992 7.952 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.448 1.799 7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.029 2.703 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.703 3.250 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.561 0.032 6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.591 0.667 7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.892 1.151 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.936 1.616 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.746 0.971 5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.092 0.415 4.733 1.00 0.00 H new ATOM 1137 N THR A 67 -4.439 3.715 9.151 1.00 0.00 N ATOM 1138 CA THR A 67 -3.323 4.288 9.911 1.00 0.00 C ATOM 1139 C THR A 67 -2.029 4.184 9.093 1.00 0.00 C ATOM 1140 O THR A 67 -1.810 3.191 8.396 1.00 0.00 O ATOM 1141 CB THR A 67 -3.231 3.544 11.257 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.342 3.897 12.053 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.975 3.841 12.065 1.00 0.00 C ATOM 0 H THR A 67 -4.740 2.813 9.520 1.00 0.00 H new ATOM 0 HA THR A 67 -3.483 5.347 10.111 1.00 0.00 H new ATOM 0 HB THR A 67 -3.206 2.484 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.292 3.426 12.911 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.998 3.273 12.995 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.095 3.556 11.488 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.931 4.906 12.291 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.138 5.179 9.191 1.00 0.00 N ATOM 1152 CA VAL A 68 0.139 5.213 8.441 1.00 0.00 C ATOM 1153 C VAL A 68 1.009 3.991 8.760 1.00 0.00 C ATOM 1154 O VAL A 68 1.583 3.373 7.867 1.00 0.00 O ATOM 1155 CB VAL A 68 0.934 6.506 8.733 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.129 6.662 7.784 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.082 7.776 8.595 1.00 0.00 C ATOM 0 H VAL A 68 -1.277 5.990 9.794 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.118 5.193 7.382 1.00 0.00 H new ATOM 0 HB VAL A 68 1.268 6.400 9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.663 7.582 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.801 5.812 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.773 6.703 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.695 8.651 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.304 7.847 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.751 7.733 9.297 1.00 0.00 H new ATOM 1167 N ASP A 69 1.043 3.577 10.025 1.00 0.00 N ATOM 1168 CA ASP A 69 1.810 2.410 10.477 1.00 0.00 C ATOM 1169 C ASP A 69 1.233 1.076 9.977 1.00 0.00 C ATOM 1170 O ASP A 69 1.995 0.153 9.679 1.00 0.00 O ATOM 1171 CB ASP A 69 1.925 2.441 12.007 1.00 0.00 C ATOM 1172 CG ASP A 69 2.869 1.348 12.535 1.00 0.00 C ATOM 1173 OD1 ASP A 69 2.384 0.390 13.184 1.00 0.00 O ATOM 1174 OD2 ASP A 69 4.100 1.465 12.326 1.00 0.00 O ATOM 0 H ASP A 69 0.535 4.045 10.776 1.00 0.00 H new ATOM 0 HA ASP A 69 2.805 2.474 10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.289 3.418 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.937 2.311 12.448 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.091 0.996 9.775 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.731 -0.151 9.116 1.00 0.00 C ATOM 1181 C LYS A 70 -0.286 -0.270 7.667 1.00 0.00 C ATOM 1182 O LYS A 70 -0.017 -1.382 7.233 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.271 -0.062 9.214 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.884 -0.985 10.279 1.00 0.00 C ATOM 1185 CD LYS A 70 -2.949 -2.457 9.830 1.00 0.00 C ATOM 1186 CE LYS A 70 -3.691 -3.289 10.886 1.00 0.00 C ATOM 1187 NZ LYS A 70 -3.824 -4.719 10.493 1.00 0.00 N ATOM 0 H LYS A 70 -0.746 1.723 10.063 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.413 -1.053 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.552 0.968 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.701 -0.308 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.297 -0.915 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.889 -0.638 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.459 -2.532 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.942 -2.848 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.159 -3.224 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.682 -2.866 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.331 -5.238 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.355 -4.786 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.879 -5.133 10.365 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.118 0.842 6.951 1.00 0.00 N ATOM 1202 CA ALA A 71 0.396 0.820 5.578 1.00 0.00 C ATOM 1203 C ALA A 71 1.873 0.400 5.571 1.00 0.00 C ATOM 1204 O ALA A 71 2.254 -0.530 4.859 1.00 0.00 O ATOM 1205 CB ALA A 71 0.186 2.201 4.939 1.00 0.00 C ATOM 0 H ALA A 71 -0.332 1.776 7.301 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.149 0.085 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.566 2.191 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.878 2.439 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.720 2.955 5.518 1.00 0.00 H new ATOM 1211 N LYS A 72 2.684 1.021 6.438 1.00 0.00 N ATOM 1212 CA LYS A 72 4.129 0.757 6.578 1.00 0.00 C ATOM 1213 C LYS A 72 4.439 -0.708 6.873 1.00 0.00 C ATOM 1214 O LYS A 72 5.355 -1.269 6.269 1.00 0.00 O ATOM 1215 CB LYS A 72 4.710 1.670 7.675 1.00 0.00 C ATOM 1216 CG LYS A 72 5.799 2.606 7.131 1.00 0.00 C ATOM 1217 CD LYS A 72 5.872 3.905 7.942 1.00 0.00 C ATOM 1218 CE LYS A 72 6.522 3.694 9.315 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.690 4.982 10.040 1.00 0.00 N ATOM 0 H LYS A 72 2.348 1.740 7.079 1.00 0.00 H new ATOM 0 HA LYS A 72 4.600 0.980 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.908 2.264 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.126 1.056 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.764 2.101 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.594 2.838 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.440 4.649 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.867 4.305 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.908 3.017 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.494 3.216 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.132 4.805 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.296 5.618 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.760 5.425 10.180 1.00 0.00 H new ATOM 1233 N THR A 73 3.667 -1.340 7.759 1.00 0.00 N ATOM 1234 CA THR A 73 3.873 -2.761 8.093 1.00 0.00 C ATOM 1235 C THR A 73 3.224 -3.708 7.075 1.00 0.00 C ATOM 1236 O THR A 73 3.846 -4.688 6.661 1.00 0.00 O ATOM 1237 CB THR A 73 3.486 -3.047 9.554 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.230 -4.151 10.019 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.000 -3.324 9.788 1.00 0.00 C ATOM 0 H THR A 73 2.896 -0.898 8.259 1.00 0.00 H new ATOM 0 HA THR A 73 4.940 -2.972 8.015 1.00 0.00 H new ATOM 0 HB THR A 73 3.712 -2.133 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.990 -4.338 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.828 -3.514 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.415 -2.459 9.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.697 -4.196 9.209 1.00 0.00 H new ATOM 1247 N TYR A 74 2.036 -3.377 6.552 1.00 0.00 N ATOM 1248 CA TYR A 74 1.352 -4.184 5.536 1.00 0.00 C ATOM 1249 C TYR A 74 2.156 -4.312 4.231 1.00 0.00 C ATOM 1250 O TYR A 74 2.206 -5.402 3.660 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.036 -3.596 5.269 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.767 -4.258 4.126 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.244 -5.576 4.259 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.904 -3.569 2.909 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.824 -6.225 3.152 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.501 -4.209 1.813 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.927 -5.550 1.916 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.392 -6.199 0.815 1.00 0.00 O ATOM 0 H TYR A 74 1.522 -2.539 6.823 1.00 0.00 H new ATOM 0 HA TYR A 74 1.254 -5.196 5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.638 -3.684 6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.065 -2.532 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.165 -6.088 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.552 -2.552 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.189 -7.237 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.635 -3.672 0.885 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.398 -5.585 0.051 1.00 0.00 H new ATOM 1268 N ILE A 75 2.865 -3.256 3.805 1.00 0.00 N ATOM 1269 CA ILE A 75 3.784 -3.286 2.649 1.00 0.00 C ATOM 1270 C ILE A 75 4.758 -4.481 2.741 1.00 0.00 C ATOM 1271 O ILE A 75 4.910 -5.224 1.768 1.00 0.00 O ATOM 1272 CB ILE A 75 4.522 -1.923 2.536 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.585 -0.831 1.959 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.784 -2.019 1.659 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.064 0.605 2.242 1.00 0.00 C ATOM 0 H ILE A 75 2.818 -2.343 4.257 1.00 0.00 H new ATOM 0 HA ILE A 75 3.209 -3.433 1.734 1.00 0.00 H new ATOM 0 HB ILE A 75 4.824 -1.650 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.499 -0.971 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.587 -0.962 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.267 -1.043 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.474 -2.743 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.506 -2.338 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.360 1.315 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.123 0.763 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.049 0.754 1.799 1.00 0.00 H new ATOM 1287 N LYS A 76 5.362 -4.723 3.911 1.00 0.00 N ATOM 1288 CA LYS A 76 6.332 -5.815 4.131 1.00 0.00 C ATOM 1289 C LYS A 76 5.735 -7.123 4.664 1.00 0.00 C ATOM 1290 O LYS A 76 6.413 -8.144 4.596 1.00 0.00 O ATOM 1291 CB LYS A 76 7.501 -5.315 5.004 1.00 0.00 C ATOM 1292 CG LYS A 76 7.069 -4.910 6.424 1.00 0.00 C ATOM 1293 CD LYS A 76 8.271 -4.602 7.323 1.00 0.00 C ATOM 1294 CE LYS A 76 7.778 -4.216 8.725 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.911 -3.990 9.661 1.00 0.00 N ATOM 0 H LYS A 76 5.192 -4.161 4.745 1.00 0.00 H new ATOM 0 HA LYS A 76 6.704 -6.087 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.256 -6.098 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.970 -4.460 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.422 -4.034 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.481 -5.714 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.926 -5.471 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.859 -3.789 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.172 -3.312 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.135 -5.005 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.541 -3.731 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.475 -4.860 9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.511 -3.220 9.301 1.00 0.00 H new ATOM 1309 N ASN A 77 4.488 -7.139 5.138 1.00 0.00 N ATOM 1310 CA ASN A 77 3.775 -8.389 5.446 1.00 0.00 C ATOM 1311 C ASN A 77 3.129 -9.020 4.197 1.00 0.00 C ATOM 1312 O ASN A 77 3.050 -10.245 4.097 1.00 0.00 O ATOM 1313 CB ASN A 77 2.735 -8.158 6.560 1.00 0.00 C ATOM 1314 CG ASN A 77 3.304 -7.704 7.897 1.00 0.00 C ATOM 1315 OD1 ASN A 77 2.722 -6.878 8.585 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.409 -8.260 8.350 1.00 0.00 N ATOM 0 H ASN A 77 3.944 -6.296 5.319 1.00 0.00 H new ATOM 0 HA ASN A 77 4.514 -9.105 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.019 -7.412 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.181 -9.084 6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.772 -8.000 9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.902 -8.950 7.783 1.00 0.00 H new ATOM 1420 N THR A 84 15.118 -10.177 -0.989 1.00 0.00 N ATOM 1421 CA THR A 84 16.096 -9.613 -0.035 1.00 0.00 C ATOM 1422 C THR A 84 16.535 -8.187 -0.354 1.00 0.00 C ATOM 1423 O THR A 84 17.634 -7.741 -0.031 1.00 0.00 O ATOM 1424 CB THR A 84 17.268 -10.572 0.234 1.00 0.00 C ATOM 1425 OG1 THR A 84 17.955 -10.966 -0.937 1.00 0.00 O ATOM 1426 CG2 THR A 84 16.753 -11.841 0.908 1.00 0.00 C ATOM 0 HA THR A 84 15.558 -9.515 0.908 1.00 0.00 H new ATOM 0 HB THR A 84 17.962 -10.022 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.323 -11.020 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.587 -12.517 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 84 16.275 -11.583 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.029 -12.331 0.257 1.00 0.00 H new ATOM 1434 N ASN A 85 15.604 -7.430 -0.934 1.00 0.00 N ATOM 1435 CA ASN A 85 15.819 -6.096 -1.497 1.00 0.00 C ATOM 1436 C ASN A 85 15.936 -5.010 -0.401 1.00 0.00 C ATOM 1437 O ASN A 85 16.279 -3.863 -0.672 1.00 0.00 O ATOM 1438 CB ASN A 85 14.696 -5.849 -2.517 1.00 0.00 C ATOM 1439 CG ASN A 85 14.927 -4.610 -3.366 1.00 0.00 C ATOM 1440 OD1 ASN A 85 14.261 -3.593 -3.231 1.00 0.00 O ATOM 1441 ND2 ASN A 85 15.867 -4.657 -4.285 1.00 0.00 N ATOM 0 H ASN A 85 14.638 -7.743 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 85 16.779 -6.038 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.607 -6.718 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.748 -5.749 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.038 -3.847 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.425 -5.503 -4.401 1.00 0.00 H new ATOM 1448 N ASN A 86 15.718 -5.419 0.851 1.00 0.00 N ATOM 1449 CA ASN A 86 15.888 -4.674 2.101 1.00 0.00 C ATOM 1450 C ASN A 86 17.361 -4.308 2.409 1.00 0.00 C ATOM 1451 O ASN A 86 17.625 -3.371 3.162 1.00 0.00 O ATOM 1452 CB ASN A 86 15.233 -5.566 3.183 1.00 0.00 C ATOM 1453 CG ASN A 86 15.835 -5.427 4.567 1.00 0.00 C ATOM 1454 OD1 ASN A 86 15.450 -4.601 5.379 1.00 0.00 O ATOM 1455 ND2 ASN A 86 16.811 -6.257 4.853 1.00 0.00 N ATOM 0 H ASN A 86 15.388 -6.367 1.032 1.00 0.00 H new ATOM 0 HA ASN A 86 15.413 -3.695 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.171 -5.327 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.310 -6.608 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.262 -6.219 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.119 -6.940 4.161 1.00 0.00 H new ATOM 1462 N PHE A 87 18.327 -5.005 1.805 1.00 0.00 N ATOM 1463 CA PHE A 87 19.775 -4.922 2.062 1.00 0.00 C ATOM 1464 C PHE A 87 20.481 -3.592 1.686 1.00 0.00 C ATOM 1465 O PHE A 87 21.712 -3.532 1.651 1.00 0.00 O ATOM 1466 CB PHE A 87 20.443 -6.128 1.371 1.00 0.00 C ATOM 1467 CG PHE A 87 20.757 -5.945 -0.113 1.00 0.00 C ATOM 1468 CD1 PHE A 87 22.081 -6.065 -0.580 1.00 0.00 C ATOM 1469 CD2 PHE A 87 19.732 -5.649 -1.033 1.00 0.00 C ATOM 1470 CE1 PHE A 87 22.369 -5.900 -1.948 1.00 0.00 C ATOM 1471 CE2 PHE A 87 20.012 -5.500 -2.399 1.00 0.00 C ATOM 1472 CZ PHE A 87 21.335 -5.621 -2.860 1.00 0.00 C ATOM 0 H PHE A 87 18.110 -5.686 1.077 1.00 0.00 H new ATOM 0 HA PHE A 87 19.894 -4.945 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 87 21.371 -6.357 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 87 19.792 -6.995 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 87 22.878 -6.285 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.717 -5.535 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.387 -5.988 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 87 19.213 -5.293 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 87 21.556 -5.500 -3.910 1.00 0.00 H new ATOM 1482 N LYS A 88 19.731 -2.517 1.397 1.00 0.00 N ATOM 1483 CA LYS A 88 20.248 -1.261 0.807 1.00 0.00 C ATOM 1484 C LYS A 88 20.824 -0.254 1.810 1.00 0.00 C ATOM 1485 O LYS A 88 21.349 0.785 1.413 1.00 0.00 O ATOM 1486 CB LYS A 88 19.175 -0.608 -0.082 1.00 0.00 C ATOM 1487 CG LYS A 88 17.929 -0.067 0.648 1.00 0.00 C ATOM 1488 CD LYS A 88 16.706 -0.979 0.480 1.00 0.00 C ATOM 1489 CE LYS A 88 15.480 -0.498 1.268 1.00 0.00 C ATOM 1490 NZ LYS A 88 14.908 0.762 0.717 1.00 0.00 N ATOM 0 H LYS A 88 18.726 -2.491 1.569 1.00 0.00 H new ATOM 0 HA LYS A 88 21.104 -1.558 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.636 0.214 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 88 18.849 -1.340 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.153 0.043 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 88 17.692 0.927 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.449 -1.040 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.965 -1.987 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.716 -1.276 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.760 -0.341 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.245 1.172 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.675 1.439 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.404 0.556 -0.169 1.00 0.00 H new ATOM 1504 N THR A 89 20.695 -0.560 3.099 1.00 0.00 N ATOM 1505 CA THR A 89 20.933 0.357 4.219 1.00 0.00 C ATOM 1506 C THR A 89 21.666 -0.353 5.355 1.00 0.00 C ATOM 1507 O THR A 89 22.669 0.150 5.861 1.00 0.00 O ATOM 1508 CB THR A 89 19.576 0.900 4.702 1.00 0.00 C ATOM 1509 OG1 THR A 89 18.983 1.691 3.694 1.00 0.00 O ATOM 1510 CG2 THR A 89 19.689 1.769 5.944 1.00 0.00 C ATOM 0 H THR A 89 20.411 -1.490 3.408 1.00 0.00 H new ATOM 0 HA THR A 89 21.564 1.182 3.890 1.00 0.00 H new ATOM 0 HB THR A 89 18.973 0.023 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 89 18.120 2.030 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 89 18.699 2.120 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.119 1.186 6.758 1.00 0.00 H new ATOM 0 HG23 THR A 89 20.330 2.625 5.732 1.00 0.00 H new ATOM 1518 N ILE A 90 21.196 -1.546 5.729 1.00 0.00 N ATOM 1519 CA ILE A 90 21.807 -2.385 6.768 1.00 0.00 C ATOM 1520 C ILE A 90 23.143 -2.989 6.303 1.00 0.00 C ATOM 1521 O ILE A 90 23.447 -2.997 5.111 1.00 0.00 O ATOM 1522 CB ILE A 90 20.811 -3.461 7.247 1.00 0.00 C ATOM 1523 CG1 ILE A 90 20.364 -4.415 6.116 1.00 0.00 C ATOM 1524 CG2 ILE A 90 19.612 -2.795 7.946 1.00 0.00 C ATOM 1525 CD1 ILE A 90 19.709 -5.684 6.666 1.00 0.00 C ATOM 0 H ILE A 90 20.365 -1.965 5.312 1.00 0.00 H new ATOM 0 HA ILE A 90 22.043 -1.751 7.623 1.00 0.00 H new ATOM 0 HB ILE A 90 21.330 -4.091 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 90 19.662 -3.898 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 90 21.227 -4.686 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 90 18.914 -3.562 8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 90 19.963 -2.224 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 90 19.109 -2.127 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.410 -6.327 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 90 20.420 -6.215 7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 90 18.831 -5.415 7.253 1.00 0.00 H new ATOM 1537 N LYS A 91 23.936 -3.512 7.251 1.00 0.00 N ATOM 1538 CA LYS A 91 25.231 -4.205 7.043 1.00 0.00 C ATOM 1539 C LYS A 91 26.384 -3.350 6.476 1.00 0.00 C ATOM 1540 O LYS A 91 27.535 -3.777 6.563 1.00 0.00 O ATOM 1541 CB LYS A 91 25.034 -5.486 6.190 1.00 0.00 C ATOM 1542 CG LYS A 91 23.894 -6.449 6.584 1.00 0.00 C ATOM 1543 CD LYS A 91 24.259 -7.525 7.617 1.00 0.00 C ATOM 1544 CE LYS A 91 24.597 -6.958 9.001 1.00 0.00 C ATOM 1545 NZ LYS A 91 24.819 -8.042 9.995 1.00 0.00 N ATOM 0 H LYS A 91 23.684 -3.464 8.238 1.00 0.00 H new ATOM 0 HA LYS A 91 25.559 -4.459 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 91 24.869 -5.178 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 91 25.968 -6.048 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 91 23.065 -5.860 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 91 23.534 -6.944 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.427 -8.222 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 91 25.112 -8.095 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 91 25.490 -6.337 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.786 -6.313 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 25.045 -7.624 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 23.958 -8.619 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 25.609 -8.642 9.684 1.00 0.00 H new ATOM 1559 N MET A 92 26.121 -2.155 5.933 1.00 0.00 N ATOM 1560 CA MET A 92 27.138 -1.299 5.296 1.00 0.00 C ATOM 1561 C MET A 92 27.886 -0.415 6.303 1.00 0.00 C ATOM 1562 O MET A 92 29.111 -0.295 6.224 1.00 0.00 O ATOM 1563 CB MET A 92 26.501 -0.414 4.212 1.00 0.00 C ATOM 1564 CG MET A 92 25.820 -1.215 3.095 1.00 0.00 C ATOM 1565 SD MET A 92 25.433 -0.258 1.598 1.00 0.00 S ATOM 1566 CE MET A 92 24.447 1.093 2.304 1.00 0.00 C ATOM 0 H MET A 92 25.186 -1.748 5.922 1.00 0.00 H new ATOM 0 HA MET A 92 27.866 -1.973 4.844 1.00 0.00 H new ATOM 0 HB2 MET A 92 25.767 0.245 4.676 1.00 0.00 H new ATOM 0 HB3 MET A 92 27.270 0.223 3.775 1.00 0.00 H new ATOM 0 HG2 MET A 92 26.466 -2.049 2.819 1.00 0.00 H new ATOM 0 HG3 MET A 92 24.896 -1.643 3.485 1.00 0.00 H new ATOM 0 HE1 MET A 92 24.059 1.719 1.500 1.00 0.00 H new ATOM 0 HE2 MET A 92 23.616 0.678 2.874 1.00 0.00 H new ATOM 0 HE3 MET A 92 25.073 1.695 2.962 1.00 0.00 H new ATOM 1576 N PHE A 93 27.160 0.196 7.248 1.00 0.00 N ATOM 1577 CA PHE A 93 27.712 1.139 8.236 1.00 0.00 C ATOM 1578 C PHE A 93 27.885 0.545 9.648 1.00 0.00 C ATOM 1579 O PHE A 93 28.454 1.189 10.530 1.00 0.00 O ATOM 1580 CB PHE A 93 26.863 2.422 8.250 1.00 0.00 C ATOM 1581 CG PHE A 93 25.486 2.292 8.882 1.00 0.00 C ATOM 1582 CD1 PHE A 93 25.323 2.488 10.268 1.00 0.00 C ATOM 1583 CD2 PHE A 93 24.361 2.003 8.086 1.00 0.00 C ATOM 1584 CE1 PHE A 93 24.049 2.383 10.856 1.00 0.00 C ATOM 1585 CE2 PHE A 93 23.086 1.902 8.673 1.00 0.00 C ATOM 1586 CZ PHE A 93 22.930 2.090 10.058 1.00 0.00 C ATOM 0 H PHE A 93 26.156 0.048 7.351 1.00 0.00 H new ATOM 0 HA PHE A 93 28.727 1.378 7.919 1.00 0.00 H new ATOM 0 HB2 PHE A 93 27.416 3.196 8.782 1.00 0.00 H new ATOM 0 HB3 PHE A 93 26.741 2.767 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 93 26.181 2.720 10.882 1.00 0.00 H new ATOM 0 HD2 PHE A 93 24.477 1.858 7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 93 23.931 2.527 11.920 1.00 0.00 H new ATOM 0 HE2 PHE A 93 22.226 1.680 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 93 21.951 2.009 10.508 1.00 0.00 H new ATOM 1596 N GLU A 94 27.389 -0.673 9.878 1.00 0.00 N ATOM 1597 CA GLU A 94 27.350 -1.322 11.194 1.00 0.00 C ATOM 1598 C GLU A 94 28.703 -1.997 11.512 1.00 0.00 C ATOM 1599 O GLU A 94 29.012 -3.076 10.999 1.00 0.00 O ATOM 1600 CB GLU A 94 26.145 -2.290 11.242 1.00 0.00 C ATOM 1601 CG GLU A 94 25.297 -2.130 12.508 1.00 0.00 C ATOM 1602 CD GLU A 94 26.062 -2.529 13.784 1.00 0.00 C ATOM 1603 OE1 GLU A 94 26.083 -3.734 14.134 1.00 0.00 O ATOM 1604 OE2 GLU A 94 26.639 -1.635 14.450 1.00 0.00 O ATOM 0 H GLU A 94 26.993 -1.251 9.137 1.00 0.00 H new ATOM 0 HA GLU A 94 27.203 -0.582 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 94 25.517 -2.122 10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 94 26.508 -3.316 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 94 24.969 -1.094 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 94 24.399 -2.742 12.420 1.00 0.00 H new