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= 0.878 K(o=0.88,f=0.011) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.411 K(o=0.41,f=-7.2!) USER MOD Single : A 40 LYS NZ :NH3+ -117:sc= 0.302 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 1.27 (180deg=0.829) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 54 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.201 K(o=0.2,f=-7.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -3:sc= 0.37 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD Single : A 65 ASN : amide:sc= 0.428 X(o=0.43,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 20:sc= 0.324 USER MOD Single : A 85 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 86 ASN : amide:sc= -0.473 K(o=-0.47,f=-4.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -153:sc= 0 (180deg=-0.668) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.705 -5.391 2.873 1.00 0.00 N ATOM 624 CA LEU A 35 -8.732 -5.533 1.428 1.00 0.00 C ATOM 625 C LEU A 35 -10.037 -6.223 1.011 1.00 0.00 C ATOM 626 O LEU A 35 -10.275 -7.388 1.336 1.00 0.00 O ATOM 627 CB LEU A 35 -7.508 -6.359 0.978 1.00 0.00 C ATOM 628 CG LEU A 35 -6.384 -5.509 0.381 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.688 -4.596 1.389 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.345 -6.426 -0.258 1.00 0.00 C ATOM 0 HA LEU A 35 -8.689 -4.554 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.119 -6.913 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.828 -7.095 0.240 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.853 -4.857 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.905 -4.029 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.415 -3.908 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.246 -5.199 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.542 -5.825 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.935 -7.094 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.815 -7.015 -1.046 1.00 0.00 H new ATOM 642 N SER A 36 -10.845 -5.504 0.237 1.00 0.00 N ATOM 643 CA SER A 36 -12.015 -6.023 -0.479 1.00 0.00 C ATOM 644 C SER A 36 -11.729 -6.157 -1.962 1.00 0.00 C ATOM 645 O SER A 36 -11.549 -7.264 -2.473 1.00 0.00 O ATOM 646 CB SER A 36 -13.267 -5.197 -0.155 1.00 0.00 C ATOM 647 OG SER A 36 -14.406 -5.760 -0.788 1.00 0.00 O ATOM 0 H SER A 36 -10.701 -4.506 0.083 1.00 0.00 H new ATOM 0 HA SER A 36 -12.229 -7.033 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.421 -5.165 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.129 -4.168 -0.488 1.00 0.00 H new ATOM 0 HG SER A 36 -15.198 -5.225 -0.572 1.00 0.00 H new ATOM 653 N GLU A 37 -11.619 -5.029 -2.652 1.00 0.00 N ATOM 654 CA GLU A 37 -11.443 -4.979 -4.099 1.00 0.00 C ATOM 655 C GLU A 37 -10.956 -3.598 -4.537 1.00 0.00 C ATOM 656 O GLU A 37 -9.995 -3.473 -5.287 1.00 0.00 O ATOM 657 CB GLU A 37 -12.792 -5.325 -4.757 1.00 0.00 C ATOM 658 CG GLU A 37 -12.555 -6.324 -5.885 1.00 0.00 C ATOM 659 CD GLU A 37 -13.791 -6.458 -6.792 1.00 0.00 C ATOM 660 OE1 GLU A 37 -14.713 -7.246 -6.470 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.838 -5.762 -7.836 1.00 0.00 O ATOM 0 H GLU A 37 -11.650 -4.108 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.686 -5.699 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.474 -5.747 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.263 -4.422 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.699 -6.005 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.305 -7.298 -5.463 1.00 0.00 H new ATOM 668 N GLU A 38 -11.551 -2.552 -3.966 1.00 0.00 N ATOM 669 CA GLU A 38 -11.178 -1.149 -4.172 1.00 0.00 C ATOM 670 C GLU A 38 -9.936 -0.735 -3.357 1.00 0.00 C ATOM 671 O GLU A 38 -9.630 0.450 -3.269 1.00 0.00 O ATOM 672 CB GLU A 38 -12.394 -0.243 -3.893 1.00 0.00 C ATOM 673 CG GLU A 38 -13.577 -0.544 -4.827 1.00 0.00 C ATOM 674 CD GLU A 38 -14.726 0.458 -4.609 1.00 0.00 C ATOM 675 OE1 GLU A 38 -15.571 0.235 -3.707 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.801 1.475 -5.344 1.00 0.00 O ATOM 0 H GLU A 38 -12.335 -2.660 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.886 -1.025 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.710 -0.373 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.100 0.800 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.245 -0.501 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.936 -1.558 -4.649 1.00 0.00 H new ATOM 683 N GLN A 39 -9.217 -1.695 -2.753 1.00 0.00 N ATOM 684 CA GLN A 39 -7.965 -1.467 -2.014 1.00 0.00 C ATOM 685 C GLN A 39 -6.746 -2.076 -2.722 1.00 0.00 C ATOM 686 O GLN A 39 -5.742 -1.397 -2.940 1.00 0.00 O ATOM 687 CB GLN A 39 -8.117 -2.023 -0.590 1.00 0.00 C ATOM 688 CG GLN A 39 -9.198 -1.282 0.222 1.00 0.00 C ATOM 689 CD GLN A 39 -10.633 -1.726 -0.065 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.909 -2.773 -0.642 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.608 -0.940 0.331 1.00 0.00 N ATOM 0 H GLN A 39 -9.497 -2.676 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.782 -0.393 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.369 -3.082 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.162 -1.948 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.995 -1.422 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.116 -0.214 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.395 -0.066 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.578 -1.204 0.157 1.00 0.00 H new ATOM 700 N LYS A 40 -6.835 -3.331 -3.177 1.00 0.00 N ATOM 701 CA LYS A 40 -5.760 -3.984 -3.953 1.00 0.00 C ATOM 702 C LYS A 40 -5.564 -3.352 -5.340 1.00 0.00 C ATOM 703 O LYS A 40 -4.438 -3.317 -5.835 1.00 0.00 O ATOM 704 CB LYS A 40 -5.998 -5.502 -3.983 1.00 0.00 C ATOM 705 CG LYS A 40 -7.225 -5.913 -4.810 1.00 0.00 C ATOM 706 CD LYS A 40 -7.728 -7.332 -4.485 1.00 0.00 C ATOM 707 CE LYS A 40 -8.315 -7.466 -3.062 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.970 -8.788 -2.870 1.00 0.00 N ATOM 0 H LYS A 40 -7.649 -3.926 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.807 -3.814 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.114 -5.992 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.120 -5.863 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.030 -5.200 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.976 -5.856 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.490 -7.614 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.903 -8.036 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.521 -7.341 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.039 -6.670 -2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.985 -8.650 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.847 -9.364 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.537 -9.276 -2.060 1.00 0.00 H new ATOM 722 N LYS A 41 -6.611 -2.728 -5.897 1.00 0.00 N ATOM 723 CA LYS A 41 -6.556 -1.858 -7.093 1.00 0.00 C ATOM 724 C LYS A 41 -5.756 -0.559 -6.878 1.00 0.00 C ATOM 725 O LYS A 41 -5.446 0.123 -7.853 1.00 0.00 O ATOM 726 CB LYS A 41 -7.988 -1.546 -7.566 1.00 0.00 C ATOM 727 CG LYS A 41 -8.702 -2.788 -8.126 1.00 0.00 C ATOM 728 CD LYS A 41 -10.184 -2.496 -8.412 1.00 0.00 C ATOM 729 CE LYS A 41 -10.957 -3.811 -8.558 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.407 -3.577 -8.784 1.00 0.00 N ATOM 0 H LYS A 41 -7.554 -2.814 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.017 -2.409 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.564 -1.144 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.954 -0.772 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.209 -3.112 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.621 -3.609 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.609 -1.902 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.278 -1.906 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.547 -4.383 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.822 -4.414 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.957 -4.325 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.675 -2.652 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.606 -3.590 -9.805 1.00 0.00 H new ATOM 744 N ILE A 42 -5.390 -0.237 -5.631 1.00 0.00 N ATOM 745 CA ILE A 42 -4.381 0.772 -5.279 1.00 0.00 C ATOM 746 C ILE A 42 -3.038 0.098 -4.987 1.00 0.00 C ATOM 747 O ILE A 42 -2.063 0.409 -5.661 1.00 0.00 O ATOM 748 CB ILE A 42 -4.885 1.698 -4.140 1.00 0.00 C ATOM 749 CG1 ILE A 42 -5.994 2.631 -4.684 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.772 2.554 -3.498 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.403 2.108 -4.397 1.00 0.00 C ATOM 0 H ILE A 42 -5.801 -0.686 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.214 1.431 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.270 1.043 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.881 3.620 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.867 2.749 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.199 3.175 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.011 1.901 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.319 3.191 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.139 2.803 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.531 1.132 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.545 2.016 -3.320 1.00 0.00 H new ATOM 763 N VAL A 43 -2.952 -0.844 -4.038 1.00 0.00 N ATOM 764 CA VAL A 43 -1.638 -1.330 -3.561 1.00 0.00 C ATOM 765 C VAL A 43 -0.909 -2.192 -4.595 1.00 0.00 C ATOM 766 O VAL A 43 0.254 -1.924 -4.896 1.00 0.00 O ATOM 767 CB VAL A 43 -1.727 -2.063 -2.210 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.321 -2.384 -1.681 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.443 -1.199 -1.167 1.00 0.00 C ATOM 0 H VAL A 43 -3.757 -1.281 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.043 -0.429 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.287 -2.984 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.401 -2.902 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.200 -3.020 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.237 -1.458 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.494 -1.738 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.893 -0.269 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.453 -0.975 -1.511 1.00 0.00 H new ATOM 779 N ALA A 44 -1.574 -3.193 -5.182 1.00 0.00 N ATOM 780 CA ALA A 44 -0.942 -4.053 -6.186 1.00 0.00 C ATOM 781 C ALA A 44 -0.621 -3.261 -7.467 1.00 0.00 C ATOM 782 O ALA A 44 0.464 -3.399 -8.034 1.00 0.00 O ATOM 783 CB ALA A 44 -1.838 -5.267 -6.460 1.00 0.00 C ATOM 0 H ALA A 44 -2.546 -3.426 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 44 0.010 -4.418 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.367 -5.906 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.979 -5.830 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.806 -4.929 -6.830 1.00 0.00 H new ATOM 789 N ASP A 45 -1.524 -2.358 -7.867 1.00 0.00 N ATOM 790 CA ASP A 45 -1.289 -1.407 -8.963 1.00 0.00 C ATOM 791 C ASP A 45 -0.084 -0.470 -8.716 1.00 0.00 C ATOM 792 O ASP A 45 0.692 -0.210 -9.635 1.00 0.00 O ATOM 793 CB ASP A 45 -2.568 -0.594 -9.189 1.00 0.00 C ATOM 794 CG ASP A 45 -2.455 0.324 -10.416 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.317 1.559 -10.245 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.522 -0.189 -11.560 1.00 0.00 O ATOM 0 H ASP A 45 -2.444 -2.265 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.036 -1.982 -9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.411 -1.273 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.777 0.007 -8.304 1.00 0.00 H new ATOM 801 N TYR A 46 0.123 -0.004 -7.478 1.00 0.00 N ATOM 802 CA TYR A 46 1.238 0.881 -7.110 1.00 0.00 C ATOM 803 C TYR A 46 2.582 0.134 -7.048 1.00 0.00 C ATOM 804 O TYR A 46 3.616 0.659 -7.475 1.00 0.00 O ATOM 805 CB TYR A 46 0.896 1.569 -5.777 1.00 0.00 C ATOM 806 CG TYR A 46 1.726 2.764 -5.340 1.00 0.00 C ATOM 807 CD1 TYR A 46 2.624 3.413 -6.209 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.528 3.272 -4.043 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.318 4.560 -5.792 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.192 4.442 -3.625 1.00 0.00 C ATOM 811 CZ TYR A 46 3.091 5.094 -4.502 1.00 0.00 C ATOM 812 OH TYR A 46 3.765 6.199 -4.080 1.00 0.00 O ATOM 0 H TYR A 46 -0.486 -0.233 -6.693 1.00 0.00 H new ATOM 0 HA TYR A 46 1.365 1.637 -7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.144 1.890 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.960 0.817 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.780 3.025 -7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.862 2.761 -3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.025 5.035 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.015 4.841 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 46 3.483 6.426 -3.169 1.00 0.00 H new ATOM 822 N ILE A 47 2.573 -1.133 -6.622 1.00 0.00 N ATOM 823 CA ILE A 47 3.739 -2.026 -6.704 1.00 0.00 C ATOM 824 C ILE A 47 4.196 -2.213 -8.160 1.00 0.00 C ATOM 825 O ILE A 47 5.401 -2.218 -8.422 1.00 0.00 O ATOM 826 CB ILE A 47 3.431 -3.350 -5.954 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.978 -3.302 -4.515 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.069 -4.589 -6.599 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.460 -2.157 -3.643 1.00 0.00 C ATOM 0 H ILE A 47 1.752 -1.573 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 47 4.594 -1.573 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 47 2.345 -3.436 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.738 -4.245 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.065 -3.235 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.810 -5.475 -6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.698 -4.700 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.153 -4.472 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.911 -2.221 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.724 -1.203 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.376 -2.229 -3.554 1.00 0.00 H new ATOM 841 N SER A 48 3.260 -2.260 -9.112 1.00 0.00 N ATOM 842 CA SER A 48 3.559 -2.269 -10.552 1.00 0.00 C ATOM 843 C SER A 48 4.031 -0.915 -11.111 1.00 0.00 C ATOM 844 O SER A 48 4.532 -0.876 -12.236 1.00 0.00 O ATOM 845 CB SER A 48 2.330 -2.718 -11.351 1.00 0.00 C ATOM 846 OG SER A 48 1.964 -4.048 -11.015 1.00 0.00 O ATOM 0 H SER A 48 2.262 -2.293 -8.905 1.00 0.00 H new ATOM 0 HA SER A 48 4.385 -2.971 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.496 -2.046 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.542 -2.654 -12.418 1.00 0.00 H new ATOM 0 HG SER A 48 1.177 -4.312 -11.536 1.00 0.00 H new ATOM 852 N GLU A 49 3.884 0.196 -10.376 1.00 0.00 N ATOM 853 CA GLU A 49 4.154 1.543 -10.886 1.00 0.00 C ATOM 854 C GLU A 49 5.522 2.078 -10.428 1.00 0.00 C ATOM 855 O GLU A 49 6.234 2.685 -11.232 1.00 0.00 O ATOM 856 CB GLU A 49 2.997 2.458 -10.451 1.00 0.00 C ATOM 857 CG GLU A 49 3.025 3.859 -11.069 1.00 0.00 C ATOM 858 CD GLU A 49 2.686 3.849 -12.574 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.609 3.723 -13.414 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.490 3.984 -12.931 1.00 0.00 O ATOM 0 H GLU A 49 3.572 0.183 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 49 4.210 1.515 -11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.054 1.978 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.015 2.554 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.315 4.498 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.013 4.296 -10.926 1.00 0.00 H new ATOM 867 N VAL A 50 5.916 1.838 -9.166 1.00 0.00 N ATOM 868 CA VAL A 50 7.167 2.380 -8.596 1.00 0.00 C ATOM 869 C VAL A 50 7.985 1.350 -7.809 1.00 0.00 C ATOM 870 O VAL A 50 9.193 1.534 -7.667 1.00 0.00 O ATOM 871 CB VAL A 50 6.905 3.639 -7.734 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.055 4.691 -8.457 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.274 3.316 -6.384 1.00 0.00 C ATOM 0 H VAL A 50 5.381 1.266 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 50 7.773 2.664 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 50 7.895 4.059 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.905 5.550 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.567 5.011 -9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.088 4.261 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.115 4.239 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.318 2.817 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.938 2.661 -5.820 1.00 0.00 H new ATOM 883 N GLY A 51 7.378 0.266 -7.307 1.00 0.00 N ATOM 884 CA GLY A 51 8.022 -0.689 -6.418 1.00 0.00 C ATOM 885 C GLY A 51 7.771 -0.354 -4.949 1.00 0.00 C ATOM 886 O GLY A 51 7.913 0.783 -4.499 1.00 0.00 O ATOM 0 H GLY A 51 6.408 0.031 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.651 -1.691 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.095 -0.699 -6.611 1.00 0.00 H new ATOM 890 N LEU A 52 7.452 -1.399 -4.192 1.00 0.00 N ATOM 891 CA LEU A 52 7.227 -1.434 -2.735 1.00 0.00 C ATOM 892 C LEU A 52 8.309 -0.735 -1.897 1.00 0.00 C ATOM 893 O LEU A 52 8.055 -0.286 -0.781 1.00 0.00 O ATOM 894 CB LEU A 52 7.115 -2.904 -2.290 1.00 0.00 C ATOM 895 CG LEU A 52 8.371 -3.783 -2.508 1.00 0.00 C ATOM 896 CD1 LEU A 52 8.932 -4.274 -1.176 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.062 -4.992 -3.393 1.00 0.00 C ATOM 0 H LEU A 52 7.332 -2.323 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 52 6.308 -0.876 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.864 -2.922 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.281 -3.360 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 52 9.112 -3.158 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.814 -4.889 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.207 -3.418 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.177 -4.866 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.966 -5.587 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.292 -5.602 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.707 -4.650 -4.365 1.00 0.00 H new ATOM 909 N ASN A 53 9.512 -0.649 -2.459 1.00 0.00 N ATOM 910 CA ASN A 53 10.690 -0.058 -1.835 1.00 0.00 C ATOM 911 C ASN A 53 10.834 1.456 -2.094 1.00 0.00 C ATOM 912 O ASN A 53 11.622 2.119 -1.416 1.00 0.00 O ATOM 913 CB ASN A 53 11.943 -0.837 -2.282 1.00 0.00 C ATOM 914 CG ASN A 53 12.037 -2.227 -1.667 1.00 0.00 C ATOM 915 OD1 ASN A 53 11.800 -2.433 -0.486 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.409 -3.224 -2.439 1.00 0.00 N ATOM 0 H ASN A 53 9.699 -1.003 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 53 10.570 -0.144 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.938 -0.927 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.832 -0.267 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.498 -4.163 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.608 -3.058 -3.426 1.00 0.00 H new ATOM 923 N ASN A 54 10.093 1.999 -3.067 1.00 0.00 N ATOM 924 CA ASN A 54 10.221 3.381 -3.548 1.00 0.00 C ATOM 925 C ASN A 54 8.977 4.247 -3.266 1.00 0.00 C ATOM 926 O ASN A 54 9.078 5.476 -3.226 1.00 0.00 O ATOM 927 CB ASN A 54 10.548 3.351 -5.049 1.00 0.00 C ATOM 928 CG ASN A 54 11.763 2.494 -5.370 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.857 2.694 -4.860 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.604 1.494 -6.206 1.00 0.00 N ATOM 0 H ASN A 54 9.367 1.475 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 54 11.031 3.855 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.686 2.971 -5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.724 4.368 -5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.392 0.886 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.693 1.326 -6.632 1.00 0.00 H new ATOM 937 N LEU A 55 7.815 3.620 -3.054 1.00 0.00 N ATOM 938 CA LEU A 55 6.585 4.276 -2.593 1.00 0.00 C ATOM 939 C LEU A 55 6.679 4.759 -1.134 1.00 0.00 C ATOM 940 O LEU A 55 7.609 4.403 -0.405 1.00 0.00 O ATOM 941 CB LEU A 55 5.380 3.348 -2.837 1.00 0.00 C ATOM 942 CG LEU A 55 5.424 1.931 -2.241 1.00 0.00 C ATOM 943 CD1 LEU A 55 5.074 1.887 -0.756 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.401 1.063 -2.967 1.00 0.00 C ATOM 0 H LEU A 55 7.700 2.617 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 55 6.441 5.184 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.492 3.846 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.246 3.252 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 55 6.447 1.575 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.125 0.858 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.782 2.499 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.065 2.273 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.421 0.054 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.406 1.488 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.644 1.025 -4.029 1.00 0.00 H new ATOM 956 N ASN A 56 5.690 5.545 -0.699 1.00 0.00 N ATOM 957 CA ASN A 56 5.499 5.919 0.701 1.00 0.00 C ATOM 958 C ASN A 56 4.208 5.308 1.274 1.00 0.00 C ATOM 959 O ASN A 56 3.358 4.780 0.553 1.00 0.00 O ATOM 960 CB ASN A 56 5.613 7.453 0.853 1.00 0.00 C ATOM 961 CG ASN A 56 4.422 8.262 0.360 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.310 7.790 0.192 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.599 9.544 0.161 1.00 0.00 N ATOM 0 H ASN A 56 4.989 5.945 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 56 6.295 5.493 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.772 7.683 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.501 7.787 0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.815 10.128 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.521 9.959 0.296 1.00 0.00 H new ATOM 970 N ALA A 57 4.063 5.399 2.593 1.00 0.00 N ATOM 971 CA ALA A 57 2.897 4.915 3.326 1.00 0.00 C ATOM 972 C ALA A 57 1.722 5.913 3.301 1.00 0.00 C ATOM 973 O ALA A 57 0.567 5.511 3.441 1.00 0.00 O ATOM 974 CB ALA A 57 3.386 4.630 4.742 1.00 0.00 C ATOM 0 H ALA A 57 4.769 5.821 3.196 1.00 0.00 H new ATOM 0 HA ALA A 57 2.492 4.017 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.557 4.262 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.174 3.877 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.778 5.547 5.183 1.00 0.00 H new ATOM 980 N THR A 58 2.012 7.200 3.085 1.00 0.00 N ATOM 981 CA THR A 58 1.044 8.308 3.040 1.00 0.00 C ATOM 982 C THR A 58 0.017 8.136 1.916 1.00 0.00 C ATOM 983 O THR A 58 -1.180 8.300 2.121 1.00 0.00 O ATOM 984 CB THR A 58 1.795 9.640 2.865 1.00 0.00 C ATOM 985 OG1 THR A 58 2.825 9.748 3.828 1.00 0.00 O ATOM 986 CG2 THR A 58 0.885 10.855 3.022 1.00 0.00 C ATOM 0 H THR A 58 2.970 7.515 2.929 1.00 0.00 H new ATOM 0 HA THR A 58 0.496 8.307 3.982 1.00 0.00 H new ATOM 0 HB THR A 58 2.197 9.632 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.298 10.598 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.468 11.766 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.095 10.817 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.441 10.851 4.018 1.00 0.00 H new ATOM 994 N GLU A 59 0.455 7.759 0.716 1.00 0.00 N ATOM 995 CA GLU A 59 -0.443 7.498 -0.422 1.00 0.00 C ATOM 996 C GLU A 59 -1.357 6.284 -0.192 1.00 0.00 C ATOM 997 O GLU A 59 -2.519 6.313 -0.605 1.00 0.00 O ATOM 998 CB GLU A 59 0.389 7.303 -1.701 1.00 0.00 C ATOM 999 CG GLU A 59 1.048 8.589 -2.221 1.00 0.00 C ATOM 1000 CD GLU A 59 0.010 9.565 -2.800 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.396 9.393 -3.976 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.438 10.482 -2.071 1.00 0.00 O ATOM 0 H GLU A 59 1.442 7.624 0.499 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.095 8.365 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.165 6.562 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.254 6.895 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.591 9.074 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.780 8.338 -2.989 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.881 5.250 0.513 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.714 4.118 0.937 1.00 0.00 C ATOM 1011 C LEU A 60 -2.755 4.546 1.982 1.00 0.00 C ATOM 1012 O LEU A 60 -3.945 4.318 1.780 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.853 2.958 1.473 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.341 1.987 0.396 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.796 2.570 -0.439 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.166 0.713 1.073 1.00 0.00 C ATOM 0 H LEU A 60 0.093 5.175 0.806 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.249 3.764 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.003 3.374 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.438 2.396 2.201 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.177 1.784 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.114 1.838 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.451 3.472 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.636 2.816 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.531 0.019 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.977 0.963 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.648 0.248 1.629 1.00 0.00 H new ATOM 1028 N SER A 61 -2.352 5.223 3.060 1.00 0.00 N ATOM 1029 CA SER A 61 -3.253 5.680 4.131 1.00 0.00 C ATOM 1030 C SER A 61 -4.322 6.676 3.653 1.00 0.00 C ATOM 1031 O SER A 61 -5.362 6.812 4.303 1.00 0.00 O ATOM 1032 CB SER A 61 -2.451 6.271 5.297 1.00 0.00 C ATOM 1033 OG SER A 61 -1.661 7.363 4.882 1.00 0.00 O ATOM 0 H SER A 61 -1.377 5.475 3.220 1.00 0.00 H new ATOM 0 HA SER A 61 -3.791 4.795 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.134 6.593 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.811 5.500 5.727 1.00 0.00 H new ATOM 0 HG SER A 61 -1.750 7.482 3.913 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.129 7.306 2.484 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.081 8.252 1.869 1.00 0.00 C ATOM 1041 C LYS A 62 -6.174 7.551 1.056 1.00 0.00 C ATOM 1042 O LYS A 62 -7.298 8.051 0.990 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.309 9.258 0.994 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.601 10.340 1.830 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.517 11.084 1.034 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.089 11.868 -0.154 1.00 0.00 C ATOM 1047 NZ LYS A 62 -2.006 12.484 -0.960 1.00 0.00 N ATOM 0 H LYS A 62 -3.287 7.170 1.924 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.592 8.778 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.571 8.724 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.999 9.734 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.339 11.057 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.150 9.878 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.991 11.770 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.782 10.366 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.680 11.202 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.762 12.644 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.413 12.922 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.523 13.211 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.322 11.752 -1.240 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.854 6.406 0.437 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.751 5.648 -0.463 1.00 0.00 C ATOM 1063 C ARG A 63 -7.371 4.412 0.202 1.00 0.00 C ATOM 1064 O ARG A 63 -8.539 4.117 -0.045 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.989 5.270 -1.747 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.936 6.367 -2.829 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.293 7.679 -2.365 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.034 8.599 -3.491 1.00 0.00 N ATOM 1069 CZ ARG A 63 -3.872 8.810 -4.085 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -3.730 9.762 -4.961 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -2.819 8.097 -3.816 1.00 0.00 N ATOM 0 H ARG A 63 -4.941 5.965 0.548 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.590 6.297 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.968 4.999 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.452 4.381 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.382 5.988 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.950 6.574 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.947 8.167 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.356 7.462 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.833 9.125 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.522 10.359 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.826 9.911 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.873 7.347 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.938 8.288 -4.294 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.627 3.721 1.070 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.112 2.585 1.870 1.00 0.00 C ATOM 1087 C LEU A 64 -7.797 3.014 3.178 1.00 0.00 C ATOM 1088 O LEU A 64 -8.514 2.207 3.772 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.959 1.595 2.148 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.837 0.491 1.092 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.538 1.028 -0.308 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.743 -0.499 1.487 1.00 0.00 C ATOM 0 H LEU A 64 -5.646 3.939 1.243 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.879 2.086 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.020 2.147 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.111 1.137 3.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.808 -0.003 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.464 0.196 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.341 1.695 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.596 1.576 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.666 -1.278 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.790 0.024 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.991 -0.951 2.448 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.602 4.265 3.620 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.176 4.805 4.864 1.00 0.00 C ATOM 1106 C ASN A 65 -7.744 3.975 6.100 1.00 0.00 C ATOM 1107 O ASN A 65 -8.546 3.568 6.945 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.694 5.023 4.673 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.313 5.983 5.680 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.621 7.127 5.375 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.525 5.557 6.903 1.00 0.00 N ATOM 0 H ASN A 65 -7.031 4.943 3.115 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.769 5.792 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.872 5.403 3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.201 4.061 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.945 6.179 7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.270 4.604 7.162 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.440 3.708 6.162 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.703 3.035 7.246 1.00 0.00 C ATOM 1120 C ILE A 66 -4.791 4.042 7.957 1.00 0.00 C ATOM 1121 O ILE A 66 -4.440 5.073 7.382 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.891 1.829 6.703 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.026 2.206 5.474 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.835 0.655 6.417 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.229 1.059 4.847 1.00 0.00 C ATOM 0 H ILE A 66 -5.818 3.975 5.399 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.420 2.644 7.968 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.183 1.518 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.678 2.631 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.328 2.990 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.261 -0.189 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.342 0.363 7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.574 0.955 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.660 1.434 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.544 0.645 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.914 0.281 4.511 1.00 0.00 H new ATOM 1137 N THR A 67 -4.361 3.748 9.186 1.00 0.00 N ATOM 1138 CA THR A 67 -3.282 4.520 9.831 1.00 0.00 C ATOM 1139 C THR A 67 -1.943 4.281 9.123 1.00 0.00 C ATOM 1140 O THR A 67 -1.714 3.215 8.542 1.00 0.00 O ATOM 1141 CB THR A 67 -3.201 4.262 11.345 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.278 5.161 11.918 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.753 2.849 11.718 1.00 0.00 C ATOM 0 H THR A 67 -4.736 2.989 9.755 1.00 0.00 H new ATOM 0 HA THR A 67 -3.525 5.577 9.724 1.00 0.00 H new ATOM 0 HB THR A 67 -4.214 4.397 11.723 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.223 5.003 12.884 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.723 2.752 12.803 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.456 2.124 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.760 2.662 11.309 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.041 5.264 9.176 1.00 0.00 N ATOM 1152 CA VAL A 68 0.259 5.229 8.480 1.00 0.00 C ATOM 1153 C VAL A 68 1.089 4.017 8.913 1.00 0.00 C ATOM 1154 O VAL A 68 1.727 3.371 8.086 1.00 0.00 O ATOM 1155 CB VAL A 68 1.057 6.532 8.711 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.254 6.624 7.756 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.204 7.791 8.489 1.00 0.00 C ATOM 0 H VAL A 68 -1.190 6.121 9.709 1.00 0.00 H new ATOM 0 HA VAL A 68 0.050 5.140 7.414 1.00 0.00 H new ATOM 0 HB VAL A 68 1.387 6.491 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.797 7.551 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.918 5.775 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.899 6.611 6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.812 8.678 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.168 7.803 7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.638 7.786 9.181 1.00 0.00 H new ATOM 1167 N ASP A 69 1.020 3.637 10.189 1.00 0.00 N ATOM 1168 CA ASP A 69 1.765 2.495 10.726 1.00 0.00 C ATOM 1169 C ASP A 69 1.268 1.133 10.220 1.00 0.00 C ATOM 1170 O ASP A 69 2.083 0.237 9.980 1.00 0.00 O ATOM 1171 CB ASP A 69 1.761 2.571 12.257 1.00 0.00 C ATOM 1172 CG ASP A 69 2.654 1.492 12.891 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.900 1.613 12.803 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.114 0.538 13.502 1.00 0.00 O ATOM 0 H ASP A 69 0.444 4.114 10.883 1.00 0.00 H new ATOM 0 HA ASP A 69 2.787 2.566 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.105 3.556 12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.740 2.457 12.623 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.039 0.992 9.948 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.566 -0.194 9.265 1.00 0.00 C ATOM 1181 C LYS A 70 -0.088 -0.243 7.823 1.00 0.00 C ATOM 1182 O LYS A 70 0.294 -1.314 7.370 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.102 -0.253 9.326 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.614 -0.753 10.684 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.142 -0.898 10.644 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.671 -1.461 11.967 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.140 -1.684 11.905 1.00 0.00 N ATOM 0 H LYS A 70 -0.747 1.685 10.191 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.181 -1.068 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.509 0.739 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.469 -0.910 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.155 -1.712 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.326 -0.055 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.599 0.072 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.428 -1.556 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.167 -2.400 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.439 -0.771 12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.472 -2.065 12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.620 -0.782 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.357 -2.361 11.146 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.019 0.896 7.134 1.00 0.00 N ATOM 1202 CA ALA A 71 0.460 0.949 5.751 1.00 0.00 C ATOM 1203 C ALA A 71 1.948 0.558 5.681 1.00 0.00 C ATOM 1204 O ALA A 71 2.316 -0.346 4.931 1.00 0.00 O ATOM 1205 CB ALA A 71 0.182 2.346 5.176 1.00 0.00 C ATOM 0 H ALA A 71 -0.291 1.802 7.515 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.076 0.225 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.536 2.393 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.890 2.543 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.702 3.095 5.773 1.00 0.00 H new ATOM 1211 N LYS A 72 2.777 1.159 6.546 1.00 0.00 N ATOM 1212 CA LYS A 72 4.227 0.911 6.655 1.00 0.00 C ATOM 1213 C LYS A 72 4.561 -0.571 6.863 1.00 0.00 C ATOM 1214 O LYS A 72 5.491 -1.070 6.230 1.00 0.00 O ATOM 1215 CB LYS A 72 4.810 1.739 7.817 1.00 0.00 C ATOM 1216 CG LYS A 72 4.975 3.230 7.497 1.00 0.00 C ATOM 1217 CD LYS A 72 5.291 4.090 8.733 1.00 0.00 C ATOM 1218 CE LYS A 72 6.542 3.671 9.522 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.799 3.904 8.760 1.00 0.00 N ATOM 0 H LYS A 72 2.448 1.856 7.214 1.00 0.00 H new ATOM 0 HA LYS A 72 4.676 1.214 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.161 1.634 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.781 1.327 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.774 3.351 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.060 3.598 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.413 5.125 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.432 4.062 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.580 4.227 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.468 2.615 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.613 3.606 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.777 3.354 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.886 4.916 8.535 1.00 0.00 H new ATOM 1233 N THR A 73 3.811 -1.281 7.714 1.00 0.00 N ATOM 1234 CA THR A 73 4.084 -2.706 7.992 1.00 0.00 C ATOM 1235 C THR A 73 3.395 -3.660 7.009 1.00 0.00 C ATOM 1236 O THR A 73 3.974 -4.681 6.631 1.00 0.00 O ATOM 1237 CB THR A 73 3.800 -3.052 9.463 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.507 -4.226 9.794 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.325 -3.277 9.798 1.00 0.00 C ATOM 0 H THR A 73 3.013 -0.899 8.222 1.00 0.00 H new ATOM 0 HA THR A 73 5.150 -2.859 7.826 1.00 0.00 H new ATOM 0 HB THR A 73 4.120 -2.185 10.041 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.336 -4.458 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.225 -3.515 10.857 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.759 -2.373 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.938 -4.104 9.202 1.00 0.00 H new ATOM 1247 N TYR A 74 2.203 -3.311 6.515 1.00 0.00 N ATOM 1248 CA TYR A 74 1.465 -4.105 5.528 1.00 0.00 C ATOM 1249 C TYR A 74 2.203 -4.199 4.181 1.00 0.00 C ATOM 1250 O TYR A 74 2.235 -5.278 3.589 1.00 0.00 O ATOM 1251 CB TYR A 74 0.065 -3.505 5.357 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.722 -4.117 4.225 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.887 -3.386 3.035 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.214 -5.432 4.328 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.499 -3.987 1.927 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.823 -6.039 3.214 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.930 -5.329 1.999 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.398 -5.961 0.892 1.00 0.00 O ATOM 0 H TYR A 74 1.717 -2.458 6.793 1.00 0.00 H new ATOM 0 HA TYR A 74 1.383 -5.128 5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.491 -3.633 6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.157 -2.433 5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.543 -2.364 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.124 -5.973 5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.641 -3.423 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.207 -7.045 3.289 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.650 -6.880 1.122 1.00 0.00 H new ATOM 1268 N ILE A 75 2.870 -3.118 3.745 1.00 0.00 N ATOM 1269 CA ILE A 75 3.722 -3.091 2.538 1.00 0.00 C ATOM 1270 C ILE A 75 4.686 -4.290 2.516 1.00 0.00 C ATOM 1271 O ILE A 75 4.724 -5.034 1.535 1.00 0.00 O ATOM 1272 CB ILE A 75 4.474 -1.734 2.458 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.521 -0.613 1.983 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.691 -1.785 1.514 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.004 0.801 2.348 1.00 0.00 C ATOM 0 H ILE A 75 2.834 -2.220 4.228 1.00 0.00 H new ATOM 0 HA ILE A 75 3.092 -3.181 1.653 1.00 0.00 H new ATOM 0 HB ILE A 75 4.834 -1.523 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.405 -0.680 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.536 -0.776 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.179 -0.810 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.396 -2.537 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.361 -2.044 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.286 1.536 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.093 0.887 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.975 0.984 1.889 1.00 0.00 H new ATOM 1287 N LYS A 76 5.424 -4.530 3.608 1.00 0.00 N ATOM 1288 CA LYS A 76 6.390 -5.639 3.692 1.00 0.00 C ATOM 1289 C LYS A 76 5.770 -6.978 4.098 1.00 0.00 C ATOM 1290 O LYS A 76 6.240 -8.012 3.642 1.00 0.00 O ATOM 1291 CB LYS A 76 7.592 -5.242 4.571 1.00 0.00 C ATOM 1292 CG LYS A 76 7.227 -4.957 6.040 1.00 0.00 C ATOM 1293 CD LYS A 76 8.465 -4.610 6.875 1.00 0.00 C ATOM 1294 CE LYS A 76 8.058 -4.360 8.333 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.234 -4.038 9.183 1.00 0.00 N ATOM 0 H LYS A 76 5.371 -3.965 4.456 1.00 0.00 H new ATOM 0 HA LYS A 76 6.755 -5.815 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.332 -6.042 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.063 -4.356 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.515 -4.133 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.732 -5.829 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.188 -5.424 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.953 -3.725 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.342 -3.539 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.555 -5.243 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.921 -3.875 10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.905 -4.832 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.700 -3.181 8.821 1.00 0.00 H new ATOM 1309 N ASN A 77 4.699 -6.998 4.892 1.00 0.00 N ATOM 1310 CA ASN A 77 4.065 -8.259 5.309 1.00 0.00 C ATOM 1311 C ASN A 77 3.218 -8.915 4.199 1.00 0.00 C ATOM 1312 O ASN A 77 3.049 -10.137 4.205 1.00 0.00 O ATOM 1313 CB ASN A 77 3.271 -8.044 6.611 1.00 0.00 C ATOM 1314 CG ASN A 77 4.182 -8.079 7.826 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.387 -9.111 8.449 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.788 -6.973 8.186 1.00 0.00 N ATOM 0 H ASN A 77 4.250 -6.160 5.261 1.00 0.00 H new ATOM 0 HA ASN A 77 4.861 -8.977 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.753 -7.086 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.507 -8.815 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.426 -6.977 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.621 -6.109 7.670 1.00 0.00 H new ATOM 1420 N THR A 84 4.892 -12.677 -0.860 1.00 0.00 N ATOM 1421 CA THR A 84 5.461 -13.582 0.166 1.00 0.00 C ATOM 1422 C THR A 84 5.645 -15.028 -0.346 1.00 0.00 C ATOM 1423 O THR A 84 5.477 -16.005 0.386 1.00 0.00 O ATOM 1424 CB THR A 84 4.705 -13.441 1.508 1.00 0.00 C ATOM 1425 OG1 THR A 84 4.509 -12.064 1.776 1.00 0.00 O ATOM 1426 CG2 THR A 84 5.474 -13.963 2.727 1.00 0.00 C ATOM 0 HA THR A 84 6.482 -13.265 0.378 1.00 0.00 H new ATOM 0 HB THR A 84 3.791 -14.021 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.596 -11.553 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.871 -13.825 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.690 -15.023 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.409 -13.413 2.830 1.00 0.00 H new ATOM 1434 N ASN A 85 5.967 -15.167 -1.642 1.00 0.00 N ATOM 1435 CA ASN A 85 6.152 -16.428 -2.372 1.00 0.00 C ATOM 1436 C ASN A 85 4.942 -17.389 -2.283 1.00 0.00 C ATOM 1437 O ASN A 85 5.104 -18.608 -2.309 1.00 0.00 O ATOM 1438 CB ASN A 85 7.524 -17.030 -1.990 1.00 0.00 C ATOM 1439 CG ASN A 85 7.995 -18.135 -2.926 1.00 0.00 C ATOM 1440 OD1 ASN A 85 8.120 -19.296 -2.557 1.00 0.00 O ATOM 1441 ND2 ASN A 85 8.309 -17.811 -4.161 1.00 0.00 N ATOM 0 H ASN A 85 6.113 -14.355 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 85 6.179 -16.225 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.269 -16.234 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.466 -17.426 -0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.654 -18.524 -4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.208 -16.846 -4.477 1.00 0.00 H new ATOM 1448 N ASN A 86 3.718 -16.857 -2.173 1.00 0.00 N ATOM 1449 CA ASN A 86 2.490 -17.643 -1.976 1.00 0.00 C ATOM 1450 C ASN A 86 1.776 -18.067 -3.280 1.00 0.00 C ATOM 1451 O ASN A 86 0.872 -18.903 -3.264 1.00 0.00 O ATOM 1452 CB ASN A 86 1.584 -16.891 -0.993 1.00 0.00 C ATOM 1453 CG ASN A 86 0.824 -15.703 -1.558 1.00 0.00 C ATOM 1454 OD1 ASN A 86 0.694 -15.466 -2.750 1.00 0.00 O ATOM 1455 ND2 ASN A 86 0.284 -14.915 -0.670 1.00 0.00 N ATOM 0 H ASN A 86 3.549 -15.852 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 86 2.769 -18.604 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.861 -17.597 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.196 -16.542 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.249 -14.098 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.394 -15.115 0.324 1.00 0.00 H new ATOM 1462 N PHE A 87 2.195 -17.510 -4.419 1.00 0.00 N ATOM 1463 CA PHE A 87 1.458 -17.477 -5.693 1.00 0.00 C ATOM 1464 C PHE A 87 1.442 -18.801 -6.490 1.00 0.00 C ATOM 1465 O PHE A 87 0.997 -18.844 -7.638 1.00 0.00 O ATOM 1466 CB PHE A 87 1.992 -16.288 -6.505 1.00 0.00 C ATOM 1467 CG PHE A 87 3.473 -16.367 -6.826 1.00 0.00 C ATOM 1468 CD1 PHE A 87 3.920 -17.157 -7.901 1.00 0.00 C ATOM 1469 CD2 PHE A 87 4.406 -15.666 -6.038 1.00 0.00 C ATOM 1470 CE1 PHE A 87 5.294 -17.238 -8.194 1.00 0.00 C ATOM 1471 CE2 PHE A 87 5.779 -15.738 -6.337 1.00 0.00 C ATOM 1472 CZ PHE A 87 6.223 -16.526 -7.414 1.00 0.00 C ATOM 0 H PHE A 87 3.101 -17.046 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 87 0.400 -17.345 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.433 -16.220 -7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.801 -15.369 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.207 -17.702 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.067 -15.072 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.635 -17.847 -9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.492 -15.188 -5.740 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.277 -16.584 -7.642 1.00 0.00 H new ATOM 1482 N LYS A 88 1.910 -19.895 -5.878 1.00 0.00 N ATOM 1483 CA LYS A 88 2.039 -21.244 -6.469 1.00 0.00 C ATOM 1484 C LYS A 88 0.743 -22.072 -6.455 1.00 0.00 C ATOM 1485 O LYS A 88 0.680 -23.137 -7.071 1.00 0.00 O ATOM 1486 CB LYS A 88 3.169 -21.989 -5.733 1.00 0.00 C ATOM 1487 CG LYS A 88 2.898 -22.164 -4.223 1.00 0.00 C ATOM 1488 CD LYS A 88 3.893 -21.396 -3.345 1.00 0.00 C ATOM 1489 CE LYS A 88 3.436 -21.313 -1.879 1.00 0.00 C ATOM 1490 NZ LYS A 88 3.433 -22.641 -1.207 1.00 0.00 N ATOM 0 H LYS A 88 2.226 -19.869 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 88 2.273 -21.114 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.305 -22.970 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.103 -21.443 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.887 -21.825 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.942 -23.224 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.867 -21.883 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.021 -20.388 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.094 -20.635 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.434 -20.886 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.118 -22.531 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.786 -23.282 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.394 -23.039 -1.221 1.00 0.00 H new ATOM 1504 N THR A 89 -0.268 -21.595 -5.727 1.00 0.00 N ATOM 1505 CA THR A 89 -1.440 -22.362 -5.286 1.00 0.00 C ATOM 1506 C THR A 89 -2.719 -21.541 -5.434 1.00 0.00 C ATOM 1507 O THR A 89 -3.727 -22.047 -5.921 1.00 0.00 O ATOM 1508 CB THR A 89 -1.240 -22.782 -3.820 1.00 0.00 C ATOM 1509 OG1 THR A 89 -0.111 -23.624 -3.705 1.00 0.00 O ATOM 1510 CG2 THR A 89 -2.425 -23.557 -3.260 1.00 0.00 C ATOM 0 H THR A 89 -0.296 -20.624 -5.414 1.00 0.00 H new ATOM 0 HA THR A 89 -1.542 -23.248 -5.912 1.00 0.00 H new ATOM 0 HB THR A 89 -1.118 -21.856 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.009 -23.884 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.226 -23.826 -2.223 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.321 -22.938 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.578 -24.463 -3.847 1.00 0.00 H new ATOM 1518 N ILE A 90 -2.680 -20.254 -5.076 1.00 0.00 N ATOM 1519 CA ILE A 90 -3.765 -19.303 -5.334 1.00 0.00 C ATOM 1520 C ILE A 90 -3.915 -19.019 -6.839 1.00 0.00 C ATOM 1521 O ILE A 90 -3.093 -19.443 -7.654 1.00 0.00 O ATOM 1522 CB ILE A 90 -3.560 -18.021 -4.500 1.00 0.00 C ATOM 1523 CG1 ILE A 90 -2.216 -17.327 -4.798 1.00 0.00 C ATOM 1524 CG2 ILE A 90 -3.705 -18.334 -3.000 1.00 0.00 C ATOM 1525 CD1 ILE A 90 -2.227 -15.850 -4.396 1.00 0.00 C ATOM 0 H ILE A 90 -1.884 -19.838 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.708 -19.748 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.339 -17.316 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.417 -17.841 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.994 -17.411 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.558 -17.422 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.702 -18.730 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.958 -19.072 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.259 -15.403 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.008 -15.328 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.422 -15.765 -3.327 1.00 0.00 H new ATOM 1537 N LYS A 91 -4.983 -18.302 -7.210 1.00 0.00 N ATOM 1538 CA LYS A 91 -5.362 -17.915 -8.587 1.00 0.00 C ATOM 1539 C LYS A 91 -5.774 -19.067 -9.525 1.00 0.00 C ATOM 1540 O LYS A 91 -6.476 -18.798 -10.500 1.00 0.00 O ATOM 1541 CB LYS A 91 -4.269 -17.035 -9.246 1.00 0.00 C ATOM 1542 CG LYS A 91 -3.633 -15.890 -8.429 1.00 0.00 C ATOM 1543 CD LYS A 91 -4.520 -14.672 -8.115 1.00 0.00 C ATOM 1544 CE LYS A 91 -5.629 -14.969 -7.097 1.00 0.00 C ATOM 1545 NZ LYS A 91 -6.122 -13.734 -6.434 1.00 0.00 N ATOM 0 H LYS A 91 -5.649 -17.953 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.275 -17.335 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.464 -17.696 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.699 -16.596 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.281 -16.304 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.754 -15.538 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.894 -13.865 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.973 -14.314 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.459 -15.466 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.253 -15.660 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.870 -13.980 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.337 -13.272 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.505 -13.085 -7.150 1.00 0.00 H new ATOM 1559 N MET A 92 -5.403 -20.324 -9.243 1.00 0.00 N ATOM 1560 CA MET A 92 -5.739 -21.494 -10.086 1.00 0.00 C ATOM 1561 C MET A 92 -6.633 -22.544 -9.397 1.00 0.00 C ATOM 1562 O MET A 92 -7.134 -23.457 -10.055 1.00 0.00 O ATOM 1563 CB MET A 92 -4.441 -22.090 -10.662 1.00 0.00 C ATOM 1564 CG MET A 92 -3.527 -22.791 -9.643 1.00 0.00 C ATOM 1565 SD MET A 92 -3.950 -24.524 -9.295 1.00 0.00 S ATOM 1566 CE MET A 92 -2.642 -24.930 -8.110 1.00 0.00 C ATOM 0 H MET A 92 -4.856 -20.566 -8.417 1.00 0.00 H new ATOM 0 HA MET A 92 -6.364 -21.139 -10.906 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.704 -22.806 -11.441 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.876 -21.291 -11.142 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.501 -22.750 -10.009 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.554 -22.231 -8.708 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.435 -25.999 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.738 -24.376 -8.362 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.965 -24.659 -7.105 1.00 0.00 H new ATOM 1576 N PHE A 93 -6.848 -22.410 -8.083 1.00 0.00 N ATOM 1577 CA PHE A 93 -7.435 -23.447 -7.221 1.00 0.00 C ATOM 1578 C PHE A 93 -8.839 -23.104 -6.683 1.00 0.00 C ATOM 1579 O PHE A 93 -9.650 -24.001 -6.448 1.00 0.00 O ATOM 1580 CB PHE A 93 -6.429 -23.680 -6.088 1.00 0.00 C ATOM 1581 CG PHE A 93 -6.648 -24.929 -5.267 1.00 0.00 C ATOM 1582 CD1 PHE A 93 -6.038 -26.130 -5.668 1.00 0.00 C ATOM 1583 CD2 PHE A 93 -7.416 -24.885 -4.090 1.00 0.00 C ATOM 1584 CE1 PHE A 93 -6.200 -27.295 -4.894 1.00 0.00 C ATOM 1585 CE2 PHE A 93 -7.581 -26.049 -3.316 1.00 0.00 C ATOM 1586 CZ PHE A 93 -6.973 -27.253 -3.719 1.00 0.00 C ATOM 0 H PHE A 93 -6.613 -21.557 -7.576 1.00 0.00 H new ATOM 0 HA PHE A 93 -7.604 -24.351 -7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.428 -23.720 -6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.455 -22.819 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.445 -26.159 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.879 -23.960 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.732 -28.219 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -8.174 -26.018 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 93 -7.100 -28.146 -3.125 1.00 0.00 H new ATOM 1596 N GLU A 94 -9.148 -21.814 -6.510 1.00 0.00 N ATOM 1597 CA GLU A 94 -10.458 -21.325 -6.049 1.00 0.00 C ATOM 1598 C GLU A 94 -11.475 -21.199 -7.202 1.00 0.00 C ATOM 1599 O GLU A 94 -11.104 -21.007 -8.364 1.00 0.00 O ATOM 1600 CB GLU A 94 -10.296 -19.976 -5.324 1.00 0.00 C ATOM 1601 CG GLU A 94 -9.478 -20.050 -4.024 1.00 0.00 C ATOM 1602 CD GLU A 94 -10.194 -20.868 -2.932 1.00 0.00 C ATOM 1603 OE1 GLU A 94 -9.811 -22.039 -2.692 1.00 0.00 O ATOM 1604 OE2 GLU A 94 -11.144 -20.345 -2.299 1.00 0.00 O ATOM 0 H GLU A 94 -8.482 -21.063 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.854 -22.064 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.817 -19.268 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.285 -19.579 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.507 -20.498 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.291 -19.041 -3.656 1.00 0.00 H new