USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 0.337 K(o=0.34,f=-4.9!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot -72:sc= 1.14 USER MOD Set 2.2: A 39 GLN :FLIP amide:sc= 0.895 F(o=0.74,f=2) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.174) 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 53 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 54 ASN : amide:sc=0.000906 X(o=0.00091,f=0) USER MOD Single : A 61 SER OG : rot -47:sc= 1.28 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.018) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.9!) USER MOD Single : A 84 THR OG1 : rot 25:sc= 0.392 USER MOD Single : A 85 ASN : amide:sc= 0.588 K(o=0.59,f=-0.00065) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) 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 -170:sc= -0.0133 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -7.880 -5.843 3.266 1.00 0.00 N ATOM 624 CA LEU A 35 -8.017 -5.459 1.859 1.00 0.00 C ATOM 625 C LEU A 35 -9.085 -6.324 1.171 1.00 0.00 C ATOM 626 O LEU A 35 -9.083 -7.552 1.272 1.00 0.00 O ATOM 627 CB LEU A 35 -6.684 -5.578 1.090 1.00 0.00 C ATOM 628 CG LEU A 35 -5.730 -4.375 1.240 1.00 0.00 C ATOM 629 CD1 LEU A 35 -4.739 -4.534 2.391 1.00 0.00 C ATOM 630 CD2 LEU A 35 -4.918 -4.219 -0.048 1.00 0.00 C ATOM 0 HA LEU A 35 -8.321 -4.412 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.167 -6.476 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.905 -5.717 0.032 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.354 -3.505 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.097 -3.655 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.284 -4.641 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.127 -5.421 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.241 -3.371 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.340 -5.126 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.594 -4.049 -0.886 1.00 0.00 H new ATOM 642 N SER A 36 -9.953 -5.653 0.422 1.00 0.00 N ATOM 643 CA SER A 36 -11.065 -6.220 -0.353 1.00 0.00 C ATOM 644 C SER A 36 -10.677 -6.452 -1.811 1.00 0.00 C ATOM 645 O SER A 36 -10.226 -7.539 -2.174 1.00 0.00 O ATOM 646 CB SER A 36 -12.339 -5.373 -0.187 1.00 0.00 C ATOM 647 OG SER A 36 -12.117 -4.019 -0.575 1.00 0.00 O ATOM 0 H SER A 36 -9.901 -4.638 0.330 1.00 0.00 H new ATOM 0 HA SER A 36 -11.295 -7.207 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.142 -5.799 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.667 -5.406 0.852 1.00 0.00 H new ATOM 0 HG SER A 36 -11.562 -3.572 0.098 1.00 0.00 H new ATOM 653 N GLU A 37 -10.842 -5.437 -2.653 1.00 0.00 N ATOM 654 CA GLU A 37 -10.681 -5.530 -4.107 1.00 0.00 C ATOM 655 C GLU A 37 -10.432 -4.163 -4.761 1.00 0.00 C ATOM 656 O GLU A 37 -9.573 -4.034 -5.631 1.00 0.00 O ATOM 657 CB GLU A 37 -11.918 -6.249 -4.668 1.00 0.00 C ATOM 658 CG GLU A 37 -13.212 -5.429 -4.676 1.00 0.00 C ATOM 659 CD GLU A 37 -14.411 -6.298 -5.102 1.00 0.00 C ATOM 660 OE1 GLU A 37 -14.682 -6.411 -6.324 1.00 0.00 O ATOM 661 OE2 GLU A 37 -15.096 -6.873 -4.221 1.00 0.00 O ATOM 0 H GLU A 37 -11.098 -4.501 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.787 -6.107 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.702 -6.563 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.086 -7.154 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.392 -5.016 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.108 -4.585 -5.358 1.00 0.00 H new ATOM 668 N GLU A 38 -11.083 -3.112 -4.257 1.00 0.00 N ATOM 669 CA GLU A 38 -10.771 -1.716 -4.600 1.00 0.00 C ATOM 670 C GLU A 38 -9.402 -1.318 -4.035 1.00 0.00 C ATOM 671 O GLU A 38 -8.660 -0.565 -4.656 1.00 0.00 O ATOM 672 CB GLU A 38 -11.849 -0.782 -4.026 1.00 0.00 C ATOM 673 CG GLU A 38 -13.191 -0.931 -4.748 1.00 0.00 C ATOM 674 CD GLU A 38 -14.262 -0.015 -4.122 1.00 0.00 C ATOM 675 OE1 GLU A 38 -14.963 -0.450 -3.175 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.417 1.146 -4.575 1.00 0.00 O ATOM 0 H GLU A 38 -11.851 -3.204 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.748 -1.625 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.984 -0.995 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.510 0.251 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.069 -0.685 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.521 -1.969 -4.698 1.00 0.00 H new ATOM 683 N GLN A 39 -9.043 -1.874 -2.876 1.00 0.00 N ATOM 684 CA GLN A 39 -7.815 -1.548 -2.145 1.00 0.00 C ATOM 685 C GLN A 39 -6.573 -2.117 -2.852 1.00 0.00 C ATOM 686 O GLN A 39 -5.524 -1.474 -2.888 1.00 0.00 O ATOM 687 CB GLN A 39 -7.995 -2.016 -0.694 1.00 0.00 C ATOM 688 CG GLN A 39 -9.133 -1.225 -0.014 1.00 0.00 C ATOM 689 CD GLN A 39 -9.516 -1.808 1.337 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.412 -2.774 1.366 1.00 0.00 O flip ATOM 691 NE2 GLN A 39 -9.015 -1.412 2.378 1.00 0.00 N flip ATOM 0 H GLN A 39 -9.611 -2.580 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.638 -0.473 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.221 -3.082 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.066 -1.877 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.824 -0.188 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.007 -1.219 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.321 -0.664 2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.290 -1.829 3.267 1.00 0.00 H new ATOM 700 N LYS A 40 -6.718 -3.258 -3.539 1.00 0.00 N ATOM 701 CA LYS A 40 -5.733 -3.775 -4.512 1.00 0.00 C ATOM 702 C LYS A 40 -5.514 -2.857 -5.710 1.00 0.00 C ATOM 703 O LYS A 40 -4.367 -2.608 -6.076 1.00 0.00 O ATOM 704 CB LYS A 40 -6.196 -5.147 -5.019 1.00 0.00 C ATOM 705 CG LYS A 40 -5.517 -6.292 -4.262 1.00 0.00 C ATOM 706 CD LYS A 40 -6.509 -7.418 -3.932 1.00 0.00 C ATOM 707 CE LYS A 40 -6.903 -7.349 -2.449 1.00 0.00 C ATOM 708 NZ LYS A 40 -7.653 -8.556 -2.015 1.00 0.00 N ATOM 0 H LYS A 40 -7.534 -3.861 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.782 -3.841 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.277 -5.229 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.977 -5.234 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.699 -6.691 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.079 -5.910 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.397 -7.327 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.060 -8.386 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.005 -7.242 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.513 -6.462 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.495 -8.716 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.669 -8.415 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.321 -9.383 -2.552 1.00 0.00 H new ATOM 722 N LYS A 41 -6.591 -2.294 -6.265 1.00 0.00 N ATOM 723 CA LYS A 41 -6.516 -1.262 -7.330 1.00 0.00 C ATOM 724 C LYS A 41 -5.768 0.017 -6.900 1.00 0.00 C ATOM 725 O LYS A 41 -5.451 0.842 -7.755 1.00 0.00 O ATOM 726 CB LYS A 41 -7.909 -0.913 -7.891 1.00 0.00 C ATOM 727 CG LYS A 41 -8.634 -2.098 -8.544 1.00 0.00 C ATOM 728 CD LYS A 41 -10.008 -1.654 -9.066 1.00 0.00 C ATOM 729 CE LYS A 41 -10.758 -2.837 -9.690 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.080 -2.420 -10.228 1.00 0.00 N ATOM 0 H LYS A 41 -7.545 -2.534 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.925 -1.716 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.527 -0.523 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.804 -0.115 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.035 -2.493 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.755 -2.904 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.595 -1.235 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.883 -0.864 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.158 -3.268 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.898 -3.617 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.561 -3.243 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.661 -2.031 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.944 -1.694 -10.960 1.00 0.00 H new ATOM 744 N ILE A 42 -5.440 0.165 -5.610 1.00 0.00 N ATOM 745 CA ILE A 42 -4.497 1.166 -5.085 1.00 0.00 C ATOM 746 C ILE A 42 -3.106 0.545 -4.838 1.00 0.00 C ATOM 747 O ILE A 42 -2.128 1.009 -5.422 1.00 0.00 O ATOM 748 CB ILE A 42 -5.093 1.858 -3.837 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.406 2.613 -4.178 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.093 2.843 -3.201 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.537 2.294 -3.192 1.00 0.00 C ATOM 0 H ILE A 42 -5.835 -0.426 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.344 1.944 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.313 1.067 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.216 3.686 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.722 2.349 -5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.548 3.310 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.194 2.305 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.829 3.612 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.433 2.847 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.748 1.225 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.235 2.583 -2.186 1.00 0.00 H new ATOM 763 N VAL A 43 -2.988 -0.511 -4.017 1.00 0.00 N ATOM 764 CA VAL A 43 -1.680 -1.071 -3.602 1.00 0.00 C ATOM 765 C VAL A 43 -0.950 -1.782 -4.744 1.00 0.00 C ATOM 766 O VAL A 43 0.189 -1.437 -5.055 1.00 0.00 O ATOM 767 CB VAL A 43 -1.806 -2.034 -2.400 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.437 -2.581 -1.968 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.423 -1.340 -1.182 1.00 0.00 C ATOM 0 H VAL A 43 -3.789 -1.003 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.087 -0.207 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.449 -2.847 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.565 -3.254 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.016 -3.124 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.211 -1.753 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.495 -2.049 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.795 -0.500 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.419 -0.976 -1.436 1.00 0.00 H new ATOM 779 N ALA A 44 -1.584 -2.768 -5.385 1.00 0.00 N ATOM 780 CA ALA A 44 -0.958 -3.546 -6.457 1.00 0.00 C ATOM 781 C ALA A 44 -0.655 -2.660 -7.679 1.00 0.00 C ATOM 782 O ALA A 44 0.372 -2.822 -8.338 1.00 0.00 O ATOM 783 CB ALA A 44 -1.865 -4.731 -6.810 1.00 0.00 C ATOM 0 H ALA A 44 -2.542 -3.048 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 44 0.001 -3.936 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.406 -5.315 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.000 -5.360 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.834 -4.361 -7.143 1.00 0.00 H new ATOM 789 N ASP A 45 -1.499 -1.654 -7.921 1.00 0.00 N ATOM 790 CA ASP A 45 -1.255 -0.613 -8.928 1.00 0.00 C ATOM 791 C ASP A 45 0.000 0.242 -8.634 1.00 0.00 C ATOM 792 O ASP A 45 0.722 0.597 -9.563 1.00 0.00 O ATOM 793 CB ASP A 45 -2.508 0.260 -9.048 1.00 0.00 C ATOM 794 CG ASP A 45 -2.413 1.239 -10.230 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.299 2.466 -9.998 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.476 0.782 -11.397 1.00 0.00 O ATOM 0 H ASP A 45 -2.380 -1.536 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.049 -1.106 -9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.384 -0.377 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.651 0.820 -8.124 1.00 0.00 H new ATOM 801 N TYR A 46 0.322 0.507 -7.359 1.00 0.00 N ATOM 802 CA TYR A 46 1.549 1.205 -6.934 1.00 0.00 C ATOM 803 C TYR A 46 2.793 0.298 -7.055 1.00 0.00 C ATOM 804 O TYR A 46 3.858 0.730 -7.500 1.00 0.00 O ATOM 805 CB TYR A 46 1.355 1.707 -5.485 1.00 0.00 C ATOM 806 CG TYR A 46 2.060 3.000 -5.097 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.255 3.406 -5.718 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.497 3.815 -4.096 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.844 4.641 -5.407 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.108 5.033 -3.734 1.00 0.00 C ATOM 811 CZ TYR A 46 3.277 5.461 -4.403 1.00 0.00 C ATOM 812 OH TYR A 46 3.880 6.621 -4.027 1.00 0.00 O ATOM 0 H TYR A 46 -0.274 0.237 -6.577 1.00 0.00 H new ATOM 0 HA TYR A 46 1.725 2.055 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.287 1.840 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.691 0.922 -4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.725 2.759 -6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.589 3.504 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.729 4.965 -5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.683 5.638 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 46 3.349 7.054 -3.326 1.00 0.00 H new ATOM 822 N ILE A 47 2.662 -0.999 -6.773 1.00 0.00 N ATOM 823 CA ILE A 47 3.708 -1.998 -7.072 1.00 0.00 C ATOM 824 C ILE A 47 4.001 -2.033 -8.588 1.00 0.00 C ATOM 825 O ILE A 47 5.158 -2.138 -9.003 1.00 0.00 O ATOM 826 CB ILE A 47 3.293 -3.355 -6.443 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.728 -3.506 -4.967 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.870 -4.570 -7.172 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.541 -2.273 -4.083 1.00 0.00 C ATOM 0 H ILE A 47 1.832 -1.394 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 47 4.662 -1.730 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 47 2.207 -3.334 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.169 -4.332 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.781 -3.787 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.538 -5.483 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.525 -4.572 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.959 -4.522 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.880 -2.496 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.123 -1.445 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.486 -1.998 -4.060 1.00 0.00 H new ATOM 841 N SER A 48 2.990 -1.809 -9.427 1.00 0.00 N ATOM 842 CA SER A 48 3.141 -1.605 -10.876 1.00 0.00 C ATOM 843 C SER A 48 3.585 -0.184 -11.281 1.00 0.00 C ATOM 844 O SER A 48 3.827 0.052 -12.467 1.00 0.00 O ATOM 845 CB SER A 48 1.848 -1.996 -11.604 1.00 0.00 C ATOM 846 OG SER A 48 1.609 -3.389 -11.466 1.00 0.00 O ATOM 0 H SER A 48 2.020 -1.762 -9.116 1.00 0.00 H new ATOM 0 HA SER A 48 3.957 -2.259 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.008 -1.433 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.924 -1.735 -12.660 1.00 0.00 H new ATOM 0 HG SER A 48 0.781 -3.627 -11.933 1.00 0.00 H new ATOM 852 N GLU A 49 3.731 0.765 -10.345 1.00 0.00 N ATOM 853 CA GLU A 49 4.116 2.156 -10.616 1.00 0.00 C ATOM 854 C GLU A 49 5.601 2.426 -10.313 1.00 0.00 C ATOM 855 O GLU A 49 6.260 3.131 -11.081 1.00 0.00 O ATOM 856 CB GLU A 49 3.193 3.088 -9.805 1.00 0.00 C ATOM 857 CG GLU A 49 3.376 4.560 -10.173 1.00 0.00 C ATOM 858 CD GLU A 49 2.397 5.485 -9.422 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.177 5.457 -9.715 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.850 6.287 -8.570 1.00 0.00 O ATOM 0 H GLU A 49 3.580 0.581 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 49 3.994 2.353 -11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.155 2.801 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.392 2.955 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.399 4.862 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.235 4.683 -11.247 1.00 0.00 H new ATOM 867 N VAL A 50 6.139 1.870 -9.214 1.00 0.00 N ATOM 868 CA VAL A 50 7.477 2.232 -8.693 1.00 0.00 C ATOM 869 C VAL A 50 8.384 1.045 -8.327 1.00 0.00 C ATOM 870 O VAL A 50 9.605 1.196 -8.277 1.00 0.00 O ATOM 871 CB VAL A 50 7.297 3.197 -7.502 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.995 2.479 -6.183 1.00 0.00 C ATOM 873 CG2 VAL A 50 8.481 4.161 -7.385 1.00 0.00 C ATOM 0 H VAL A 50 5.663 1.158 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 50 8.011 2.717 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 50 6.409 3.792 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.880 3.214 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.073 1.906 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.817 1.806 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.325 4.828 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.399 3.593 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.563 4.749 -8.299 1.00 0.00 H new ATOM 883 N GLY A 51 7.814 -0.132 -8.051 1.00 0.00 N ATOM 884 CA GLY A 51 8.553 -1.369 -7.764 1.00 0.00 C ATOM 885 C GLY A 51 7.859 -2.198 -6.694 1.00 0.00 C ATOM 886 O GLY A 51 7.093 -3.112 -6.990 1.00 0.00 O ATOM 0 H GLY A 51 6.802 -0.256 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.648 -1.957 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.563 -1.123 -7.437 1.00 0.00 H new ATOM 890 N LEU A 52 8.153 -1.858 -5.438 1.00 0.00 N ATOM 891 CA LEU A 52 7.570 -2.451 -4.228 1.00 0.00 C ATOM 892 C LEU A 52 7.863 -1.594 -2.991 1.00 0.00 C ATOM 893 O LEU A 52 7.002 -1.353 -2.150 1.00 0.00 O ATOM 894 CB LEU A 52 8.171 -3.866 -4.060 1.00 0.00 C ATOM 895 CG LEU A 52 7.650 -4.601 -2.815 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.410 -6.074 -3.144 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.617 -4.543 -1.630 1.00 0.00 C ATOM 0 H LEU A 52 8.834 -1.129 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 52 6.486 -2.504 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.942 -4.458 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.257 -3.788 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 52 6.728 -4.094 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.041 -6.589 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.673 -6.153 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.345 -6.532 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.189 -5.081 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.564 -5.003 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.788 -3.503 -1.350 1.00 0.00 H new ATOM 909 N ASN A 53 9.116 -1.155 -2.904 1.00 0.00 N ATOM 910 CA ASN A 53 9.732 -0.570 -1.714 1.00 0.00 C ATOM 911 C ASN A 53 9.908 0.959 -1.764 1.00 0.00 C ATOM 912 O ASN A 53 10.250 1.562 -0.744 1.00 0.00 O ATOM 913 CB ASN A 53 11.050 -1.326 -1.451 1.00 0.00 C ATOM 914 CG ASN A 53 12.182 -0.947 -2.394 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.851 0.062 -2.231 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.433 -1.735 -3.417 1.00 0.00 N ATOM 0 H ASN A 53 9.759 -1.199 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 53 9.050 -0.698 -0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.367 -1.136 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.865 -2.397 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.183 -1.502 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.878 -2.579 -3.559 1.00 0.00 H new ATOM 923 N ASN A 54 9.676 1.596 -2.922 1.00 0.00 N ATOM 924 CA ASN A 54 9.921 3.033 -3.099 1.00 0.00 C ATOM 925 C ASN A 54 8.672 3.892 -2.802 1.00 0.00 C ATOM 926 O ASN A 54 8.782 5.106 -2.613 1.00 0.00 O ATOM 927 CB ASN A 54 10.452 3.277 -4.519 1.00 0.00 C ATOM 928 CG ASN A 54 11.689 2.461 -4.853 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.775 2.696 -4.342 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.562 1.470 -5.712 1.00 0.00 N ATOM 0 H ASN A 54 9.316 1.132 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 54 10.670 3.346 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.667 3.042 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.683 4.336 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.371 0.897 -5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.655 1.276 -6.137 1.00 0.00 H new ATOM 937 N LEU A 55 7.488 3.266 -2.776 1.00 0.00 N ATOM 938 CA LEU A 55 6.194 3.909 -2.526 1.00 0.00 C ATOM 939 C LEU A 55 6.039 4.506 -1.115 1.00 0.00 C ATOM 940 O LEU A 55 6.753 4.142 -0.177 1.00 0.00 O ATOM 941 CB LEU A 55 5.074 2.915 -2.870 1.00 0.00 C ATOM 942 CG LEU A 55 4.925 1.695 -1.945 1.00 0.00 C ATOM 943 CD1 LEU A 55 3.893 1.945 -0.847 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.432 0.510 -2.768 1.00 0.00 C ATOM 0 H LEU A 55 7.403 2.262 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 55 6.128 4.780 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.128 3.456 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.239 2.554 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 55 5.897 1.502 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.815 1.062 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.203 2.798 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.924 2.154 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.323 -0.361 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.468 0.753 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.152 0.289 -3.556 1.00 0.00 H new ATOM 956 N ASN A 56 5.072 5.416 -0.969 1.00 0.00 N ATOM 957 CA ASN A 56 4.791 6.149 0.261 1.00 0.00 C ATOM 958 C ASN A 56 3.585 5.541 1.001 1.00 0.00 C ATOM 959 O ASN A 56 2.476 5.469 0.468 1.00 0.00 O ATOM 960 CB ASN A 56 4.600 7.631 -0.111 1.00 0.00 C ATOM 961 CG ASN A 56 4.396 8.551 1.082 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.342 8.141 2.232 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.257 9.832 0.841 1.00 0.00 N ATOM 0 H ASN A 56 4.444 5.669 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 56 5.621 6.073 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.472 7.969 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.740 7.720 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.104 10.482 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.301 10.178 -0.117 1.00 0.00 H new ATOM 970 N ALA A 57 3.797 5.155 2.258 1.00 0.00 N ATOM 971 CA ALA A 57 2.771 4.605 3.144 1.00 0.00 C ATOM 972 C ALA A 57 1.627 5.602 3.436 1.00 0.00 C ATOM 973 O ALA A 57 0.483 5.189 3.628 1.00 0.00 O ATOM 974 CB ALA A 57 3.496 4.165 4.419 1.00 0.00 C ATOM 0 H ALA A 57 4.713 5.218 2.701 1.00 0.00 H new ATOM 0 HA ALA A 57 2.272 3.762 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.776 3.744 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.244 3.411 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.986 5.026 4.875 1.00 0.00 H new ATOM 980 N THR A 58 1.904 6.910 3.411 1.00 0.00 N ATOM 981 CA THR A 58 0.890 7.960 3.599 1.00 0.00 C ATOM 982 C THR A 58 -0.091 8.017 2.422 1.00 0.00 C ATOM 983 O THR A 58 -1.299 8.083 2.633 1.00 0.00 O ATOM 984 CB THR A 58 1.554 9.327 3.826 1.00 0.00 C ATOM 985 OG1 THR A 58 2.411 9.260 4.949 1.00 0.00 O ATOM 986 CG2 THR A 58 0.539 10.436 4.100 1.00 0.00 C ATOM 0 H THR A 58 2.844 7.275 3.259 1.00 0.00 H new ATOM 0 HA THR A 58 0.316 7.706 4.490 1.00 0.00 H new ATOM 0 HB THR A 58 2.098 9.561 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.834 10.133 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.063 11.379 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.136 10.530 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.035 10.191 4.994 1.00 0.00 H new ATOM 994 N GLU A 59 0.393 7.913 1.183 1.00 0.00 N ATOM 995 CA GLU A 59 -0.452 7.867 -0.022 1.00 0.00 C ATOM 996 C GLU A 59 -1.383 6.643 -0.038 1.00 0.00 C ATOM 997 O GLU A 59 -2.553 6.773 -0.398 1.00 0.00 O ATOM 998 CB GLU A 59 0.423 7.889 -1.286 1.00 0.00 C ATOM 999 CG GLU A 59 1.233 9.182 -1.463 1.00 0.00 C ATOM 1000 CD GLU A 59 0.335 10.419 -1.651 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.233 10.600 -2.755 1.00 0.00 O ATOM 1002 OE2 GLU A 59 0.198 11.221 -0.696 1.00 0.00 O ATOM 0 H GLU A 59 1.391 7.858 0.981 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.087 8.753 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.110 7.043 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.214 7.749 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.871 9.329 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.891 9.080 -2.326 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.916 5.477 0.433 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.797 4.327 0.684 1.00 0.00 C ATOM 1011 C LEU A 60 -2.849 4.636 1.762 1.00 0.00 C ATOM 1012 O LEU A 60 -4.037 4.406 1.542 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.980 3.081 1.076 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.027 2.528 0.002 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.532 1.191 0.491 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.719 2.297 -1.341 1.00 0.00 C ATOM 0 H LEU A 60 0.066 5.306 0.648 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.325 4.120 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.394 3.321 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.675 2.290 1.357 1.00 0.00 H new ATOM 0 HG LEU A 60 0.758 3.268 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.210 0.784 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.073 1.343 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.288 0.492 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.002 1.907 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.530 1.579 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.124 3.240 -1.709 1.00 0.00 H new ATOM 1028 N SER A 61 -2.449 5.216 2.897 1.00 0.00 N ATOM 1029 CA SER A 61 -3.340 5.531 4.025 1.00 0.00 C ATOM 1030 C SER A 61 -4.478 6.497 3.668 1.00 0.00 C ATOM 1031 O SER A 61 -5.565 6.414 4.240 1.00 0.00 O ATOM 1032 CB SER A 61 -2.515 6.056 5.211 1.00 0.00 C ATOM 1033 OG SER A 61 -2.229 7.439 5.110 1.00 0.00 O ATOM 0 H SER A 61 -1.480 5.486 3.064 1.00 0.00 H new ATOM 0 HA SER A 61 -3.833 4.600 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.058 5.869 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.580 5.500 5.272 1.00 0.00 H new ATOM 0 HG SER A 61 -1.911 7.642 4.206 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.255 7.349 2.659 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.205 8.348 2.135 1.00 0.00 C ATOM 1041 C LYS A 62 -6.305 7.728 1.265 1.00 0.00 C ATOM 1042 O LYS A 62 -7.393 8.295 1.163 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.417 9.400 1.331 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.691 10.414 2.228 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.625 11.177 1.425 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.072 12.399 2.171 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.032 13.536 2.184 1.00 0.00 N ATOM 0 H LYS A 62 -3.366 7.364 2.160 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.711 8.809 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.688 8.895 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.101 9.932 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.410 11.117 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.223 9.897 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.804 10.501 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.055 11.501 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.832 12.118 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.141 12.718 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.614 14.337 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.242 13.824 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.911 13.243 2.655 1.00 0.00 H new ATOM 1061 N ARG A 63 -6.026 6.580 0.636 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.937 5.864 -0.282 1.00 0.00 C ATOM 1063 C ARG A 63 -7.559 4.611 0.351 1.00 0.00 C ATOM 1064 O ARG A 63 -8.742 4.351 0.135 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.181 5.526 -1.579 1.00 0.00 C ATOM 1066 CG ARG A 63 -6.168 6.633 -2.647 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.399 7.899 -2.242 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.250 8.824 -3.383 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.119 9.725 -3.810 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -5.847 10.454 -4.855 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -7.267 9.922 -3.225 1.00 0.00 N ATOM 0 H ARG A 63 -5.132 6.103 0.752 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.776 6.522 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.150 5.279 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.625 4.631 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.729 6.233 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.197 6.907 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.924 8.402 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.415 7.624 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.375 8.761 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.962 10.331 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.519 11.148 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.523 9.371 -2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.909 10.627 -3.586 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.799 3.869 1.164 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.293 2.729 1.955 1.00 0.00 C ATOM 1087 C LEU A 64 -8.008 3.174 3.246 1.00 0.00 C ATOM 1088 O LEU A 64 -8.761 2.387 3.821 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.146 1.743 2.272 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.768 0.804 1.110 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.926 1.481 0.031 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.979 -0.395 1.637 1.00 0.00 C ATOM 0 H LEU A 64 -5.803 4.045 1.295 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.035 2.216 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.264 2.314 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.432 1.138 3.132 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.712 0.496 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.696 0.762 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.482 2.318 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.998 1.847 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.717 -1.052 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.069 -0.046 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.588 -0.944 2.356 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.806 4.425 3.683 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.411 5.010 4.890 1.00 0.00 C ATOM 1106 C ASN A 65 -8.035 4.226 6.166 1.00 0.00 C ATOM 1107 O ASN A 65 -8.871 3.675 6.887 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.916 5.273 4.663 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.582 5.971 5.839 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.528 5.480 6.440 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.126 7.151 6.203 1.00 0.00 N ATOM 0 H ASN A 65 -7.198 5.079 3.191 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.983 5.994 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.042 5.882 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.421 4.325 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.561 7.648 6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.338 7.568 5.708 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.725 4.183 6.408 1.00 0.00 N ATOM 1119 CA ILE A 66 -6.032 3.528 7.530 1.00 0.00 C ATOM 1120 C ILE A 66 -5.072 4.526 8.198 1.00 0.00 C ATOM 1121 O ILE A 66 -4.887 5.644 7.715 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.286 2.251 7.046 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.376 2.540 5.833 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.298 1.138 6.744 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.555 1.363 5.300 1.00 0.00 C ATOM 0 H ILE A 66 -6.065 4.639 5.779 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.766 3.211 8.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.630 1.914 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.998 2.917 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.688 3.340 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.769 0.247 6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.862 0.904 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.983 1.471 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.958 1.692 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.896 0.994 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.226 0.564 4.985 1.00 0.00 H new ATOM 1137 N THR A 67 -4.422 4.125 9.292 1.00 0.00 N ATOM 1138 CA THR A 67 -3.238 4.835 9.804 1.00 0.00 C ATOM 1139 C THR A 67 -2.000 4.498 8.965 1.00 0.00 C ATOM 1140 O THR A 67 -1.859 3.377 8.463 1.00 0.00 O ATOM 1141 CB THR A 67 -3.010 4.583 11.304 1.00 0.00 C ATOM 1142 OG1 THR A 67 -1.887 5.320 11.734 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.743 3.123 11.666 1.00 0.00 C ATOM 0 H THR A 67 -4.693 3.311 9.845 1.00 0.00 H new ATOM 0 HA THR A 67 -3.425 5.904 9.705 1.00 0.00 H new ATOM 0 HB THR A 67 -3.936 4.886 11.792 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.739 5.163 12.690 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.594 3.036 12.742 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.595 2.512 11.368 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.849 2.777 11.147 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.068 5.449 8.844 1.00 0.00 N ATOM 1152 CA VAL A 68 0.232 5.261 8.170 1.00 0.00 C ATOM 1153 C VAL A 68 1.019 4.103 8.798 1.00 0.00 C ATOM 1154 O VAL A 68 1.750 3.393 8.109 1.00 0.00 O ATOM 1155 CB VAL A 68 1.069 6.560 8.234 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.339 6.463 7.378 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.285 7.784 7.741 1.00 0.00 C ATOM 0 H VAL A 68 -1.193 6.390 9.217 1.00 0.00 H new ATOM 0 HA VAL A 68 0.032 5.017 7.127 1.00 0.00 H new ATOM 0 HB VAL A 68 1.326 6.681 9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.899 7.396 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.957 5.640 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.064 6.284 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.916 8.670 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.018 7.629 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.601 7.923 8.361 1.00 0.00 H new ATOM 1167 N ASP A 69 0.821 3.850 10.095 1.00 0.00 N ATOM 1168 CA ASP A 69 1.522 2.799 10.835 1.00 0.00 C ATOM 1169 C ASP A 69 1.090 1.375 10.445 1.00 0.00 C ATOM 1170 O ASP A 69 1.924 0.467 10.430 1.00 0.00 O ATOM 1171 CB ASP A 69 1.363 3.075 12.338 1.00 0.00 C ATOM 1172 CG ASP A 69 2.314 2.239 13.209 1.00 0.00 C ATOM 1173 OD1 ASP A 69 1.902 1.165 13.705 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.462 2.690 13.443 1.00 0.00 O ATOM 0 H ASP A 69 0.161 4.377 10.667 1.00 0.00 H new ATOM 0 HA ASP A 69 2.578 2.833 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.542 4.133 12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.334 2.868 12.632 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.168 1.188 10.014 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.607 -0.055 9.368 1.00 0.00 C ATOM 1181 C LYS A 70 -0.069 -0.157 7.952 1.00 0.00 C ATOM 1182 O LYS A 70 0.332 -1.241 7.550 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.141 -0.170 9.354 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.716 -0.630 10.700 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.233 -0.847 10.583 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.797 -1.427 11.885 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.255 -1.699 11.774 1.00 0.00 N ATOM 0 H LYS A 70 -0.903 1.890 10.103 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.205 -0.880 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.571 0.797 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.441 -0.873 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.232 -1.555 11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.506 0.115 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.725 0.099 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.446 -1.523 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.271 -2.350 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.617 -0.730 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.604 -2.091 12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.758 -0.814 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.423 -2.383 11.009 1.00 0.00 H new ATOM 1201 N ALA A 71 0.007 0.954 7.221 1.00 0.00 N ATOM 1202 CA ALA A 71 0.456 0.941 5.829 1.00 0.00 C ATOM 1203 C ALA A 71 1.930 0.533 5.731 1.00 0.00 C ATOM 1204 O ALA A 71 2.275 -0.379 4.977 1.00 0.00 O ATOM 1205 CB ALA A 71 0.164 2.307 5.194 1.00 0.00 C ATOM 0 H ALA A 71 -0.238 1.880 7.572 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.096 0.189 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.496 2.304 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.907 2.504 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.695 3.084 5.743 1.00 0.00 H new ATOM 1211 N LYS A 72 2.790 1.129 6.565 1.00 0.00 N ATOM 1212 CA LYS A 72 4.241 0.881 6.530 1.00 0.00 C ATOM 1213 C LYS A 72 4.660 -0.511 7.022 1.00 0.00 C ATOM 1214 O LYS A 72 5.735 -0.972 6.641 1.00 0.00 O ATOM 1215 CB LYS A 72 4.997 2.030 7.214 1.00 0.00 C ATOM 1216 CG LYS A 72 4.933 2.006 8.746 1.00 0.00 C ATOM 1217 CD LYS A 72 5.521 3.311 9.296 1.00 0.00 C ATOM 1218 CE LYS A 72 5.635 3.259 10.824 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.256 4.501 11.356 1.00 0.00 N ATOM 0 H LYS A 72 2.504 1.795 7.282 1.00 0.00 H new ATOM 0 HA LYS A 72 4.534 0.868 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.042 1.996 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.591 2.978 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.901 1.890 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.489 1.152 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.505 3.483 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.891 4.151 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.645 3.127 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.231 2.395 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.321 4.440 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.209 4.612 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.672 5.321 11.094 1.00 0.00 H new ATOM 1233 N THR A 73 3.821 -1.206 7.801 1.00 0.00 N ATOM 1234 CA THR A 73 4.065 -2.616 8.167 1.00 0.00 C ATOM 1235 C THR A 73 3.374 -3.595 7.209 1.00 0.00 C ATOM 1236 O THR A 73 3.991 -4.570 6.783 1.00 0.00 O ATOM 1237 CB THR A 73 3.748 -2.866 9.652 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.484 -3.978 10.107 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.276 -3.121 9.973 1.00 0.00 C ATOM 0 H THR A 73 2.963 -0.817 8.193 1.00 0.00 H new ATOM 0 HA THR A 73 5.130 -2.816 8.047 1.00 0.00 H new ATOM 0 HB THR A 73 4.022 -1.939 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.284 -4.137 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.160 -3.285 11.044 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.683 -2.257 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.933 -4.003 9.432 1.00 0.00 H new ATOM 1247 N TYR A 74 2.147 -3.301 6.759 1.00 0.00 N ATOM 1248 CA TYR A 74 1.408 -4.125 5.794 1.00 0.00 C ATOM 1249 C TYR A 74 2.199 -4.354 4.497 1.00 0.00 C ATOM 1250 O TYR A 74 2.259 -5.491 4.029 1.00 0.00 O ATOM 1251 CB TYR A 74 0.048 -3.480 5.488 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.610 -4.050 4.250 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.107 -5.367 4.251 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.594 -3.300 3.059 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.546 -5.952 3.049 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.032 -3.883 1.859 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.480 -5.221 1.842 1.00 0.00 C ATOM 1258 OH TYR A 74 -1.839 -5.799 0.663 1.00 0.00 O ATOM 0 H TYR A 74 1.633 -2.473 7.059 1.00 0.00 H new ATOM 0 HA TYR A 74 1.252 -5.103 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.615 -3.619 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.182 -2.406 5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.151 -5.928 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.245 -2.278 3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.933 -6.960 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.026 -3.306 0.946 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.733 -5.151 -0.065 1.00 0.00 H new ATOM 1268 N ILE A 75 2.857 -3.311 3.967 1.00 0.00 N ATOM 1269 CA ILE A 75 3.729 -3.384 2.781 1.00 0.00 C ATOM 1270 C ILE A 75 4.698 -4.575 2.898 1.00 0.00 C ATOM 1271 O ILE A 75 4.597 -5.536 2.135 1.00 0.00 O ATOM 1272 CB ILE A 75 4.466 -2.031 2.592 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.501 -0.948 2.057 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.682 -2.133 1.649 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.019 0.477 2.314 1.00 0.00 C ATOM 0 H ILE A 75 2.797 -2.371 4.359 1.00 0.00 H new ATOM 0 HA ILE A 75 3.127 -3.558 1.889 1.00 0.00 H new ATOM 0 HB ILE A 75 4.833 -1.751 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.356 -1.091 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.526 -1.068 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.155 -1.155 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.399 -2.846 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.353 -2.470 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.305 1.200 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.138 0.633 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.981 0.609 1.819 1.00 0.00 H new ATOM 1287 N LYS A 76 5.599 -4.563 3.887 1.00 0.00 N ATOM 1288 CA LYS A 76 6.637 -5.598 4.028 1.00 0.00 C ATOM 1289 C LYS A 76 6.104 -6.941 4.523 1.00 0.00 C ATOM 1290 O LYS A 76 6.621 -7.980 4.116 1.00 0.00 O ATOM 1291 CB LYS A 76 7.797 -5.094 4.909 1.00 0.00 C ATOM 1292 CG LYS A 76 7.352 -4.473 6.244 1.00 0.00 C ATOM 1293 CD LYS A 76 8.538 -4.231 7.183 1.00 0.00 C ATOM 1294 CE LYS A 76 8.027 -3.677 8.519 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.135 -3.506 9.496 1.00 0.00 N ATOM 0 H LYS A 76 5.632 -3.843 4.608 1.00 0.00 H new ATOM 0 HA LYS A 76 7.015 -5.787 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.470 -5.926 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.368 -4.353 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.841 -3.529 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.633 -5.132 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.082 -5.161 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.237 -3.529 6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.536 -2.718 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.277 -4.352 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.756 -3.130 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.587 -4.426 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.838 -2.843 9.112 1.00 0.00 H new ATOM 1309 N ASN A 77 5.070 -6.951 5.361 1.00 0.00 N ATOM 1310 CA ASN A 77 4.538 -8.194 5.924 1.00 0.00 C ATOM 1311 C ASN A 77 3.694 -8.980 4.908 1.00 0.00 C ATOM 1312 O ASN A 77 3.763 -10.209 4.885 1.00 0.00 O ATOM 1313 CB ASN A 77 3.801 -7.890 7.240 1.00 0.00 C ATOM 1314 CG ASN A 77 4.783 -7.639 8.380 1.00 0.00 C ATOM 1315 OD1 ASN A 77 5.580 -6.716 8.386 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.817 -8.493 9.373 1.00 0.00 N ATOM 0 H ASN A 77 4.581 -6.110 5.667 1.00 0.00 H new ATOM 0 HA ASN A 77 5.367 -8.861 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.162 -7.016 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.149 -8.726 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.498 -8.376 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.163 -9.275 9.396 1.00 0.00 H new ATOM 1420 N THR A 84 5.080 -11.094 -7.018 1.00 0.00 N ATOM 1421 CA THR A 84 4.585 -12.400 -6.532 1.00 0.00 C ATOM 1422 C THR A 84 5.477 -13.589 -6.945 1.00 0.00 C ATOM 1423 O THR A 84 4.998 -14.689 -7.226 1.00 0.00 O ATOM 1424 CB THR A 84 3.089 -12.608 -6.864 1.00 0.00 C ATOM 1425 OG1 THR A 84 2.384 -11.378 -6.832 1.00 0.00 O ATOM 1426 CG2 THR A 84 2.401 -13.500 -5.828 1.00 0.00 C ATOM 0 HA THR A 84 4.658 -12.370 -5.445 1.00 0.00 H new ATOM 0 HB THR A 84 3.067 -13.062 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.007 -10.639 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.351 -13.624 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.887 -14.475 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.474 -13.037 -4.844 1.00 0.00 H new ATOM 1434 N ASN A 85 6.794 -13.356 -7.033 1.00 0.00 N ATOM 1435 CA ASN A 85 7.816 -14.295 -7.512 1.00 0.00 C ATOM 1436 C ASN A 85 7.528 -14.891 -8.916 1.00 0.00 C ATOM 1437 O ASN A 85 7.901 -16.029 -9.205 1.00 0.00 O ATOM 1438 CB ASN A 85 8.117 -15.317 -6.389 1.00 0.00 C ATOM 1439 CG ASN A 85 9.545 -15.844 -6.411 1.00 0.00 C ATOM 1440 OD1 ASN A 85 10.368 -15.514 -5.568 1.00 0.00 O ATOM 1441 ND2 ASN A 85 9.890 -16.673 -7.367 1.00 0.00 N ATOM 0 H ASN A 85 7.195 -12.460 -6.757 1.00 0.00 H new ATOM 0 HA ASN A 85 8.740 -13.751 -7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.926 -14.849 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.427 -16.156 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.841 -17.040 -7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.207 -16.951 -8.072 1.00 0.00 H new ATOM 1448 N ASN A 86 6.870 -14.132 -9.807 1.00 0.00 N ATOM 1449 CA ASN A 86 6.575 -14.530 -11.195 1.00 0.00 C ATOM 1450 C ASN A 86 7.548 -13.930 -12.243 1.00 0.00 C ATOM 1451 O ASN A 86 7.559 -14.354 -13.398 1.00 0.00 O ATOM 1452 CB ASN A 86 5.075 -14.293 -11.489 1.00 0.00 C ATOM 1453 CG ASN A 86 4.795 -13.124 -12.419 1.00 0.00 C ATOM 1454 OD1 ASN A 86 4.448 -13.280 -13.581 1.00 0.00 O ATOM 1455 ND2 ASN A 86 4.953 -11.918 -11.937 1.00 0.00 N ATOM 0 H ASN A 86 6.519 -13.202 -9.578 1.00 0.00 H new ATOM 0 HA ASN A 86 6.763 -15.599 -11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.656 -15.199 -11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.555 -14.124 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.787 -11.106 -12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.243 -11.790 -10.967 1.00 0.00 H new ATOM 1462 N PHE A 87 8.411 -12.991 -11.842 1.00 0.00 N ATOM 1463 CA PHE A 87 9.347 -12.233 -12.700 1.00 0.00 C ATOM 1464 C PHE A 87 10.598 -13.023 -13.165 1.00 0.00 C ATOM 1465 O PHE A 87 11.578 -12.449 -13.637 1.00 0.00 O ATOM 1466 CB PHE A 87 9.716 -10.924 -11.979 1.00 0.00 C ATOM 1467 CG PHE A 87 10.668 -11.089 -10.804 1.00 0.00 C ATOM 1468 CD1 PHE A 87 10.188 -11.510 -9.547 1.00 0.00 C ATOM 1469 CD2 PHE A 87 12.044 -10.842 -10.974 1.00 0.00 C ATOM 1470 CE1 PHE A 87 11.082 -11.713 -8.481 1.00 0.00 C ATOM 1471 CE2 PHE A 87 12.937 -11.049 -9.908 1.00 0.00 C ATOM 1472 CZ PHE A 87 12.458 -11.489 -8.662 1.00 0.00 C ATOM 0 H PHE A 87 8.485 -12.720 -10.861 1.00 0.00 H new ATOM 0 HA PHE A 87 8.830 -12.019 -13.636 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.167 -10.243 -12.701 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.801 -10.451 -11.623 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.131 -11.677 -9.403 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.414 -10.492 -11.926 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.711 -12.042 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 87 13.993 -10.870 -10.047 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.145 -11.655 -7.846 1.00 0.00 H new ATOM 1482 N LYS A 88 10.568 -14.353 -13.043 1.00 0.00 N ATOM 1483 CA LYS A 88 11.684 -15.308 -13.219 1.00 0.00 C ATOM 1484 C LYS A 88 11.954 -15.736 -14.667 1.00 0.00 C ATOM 1485 O LYS A 88 12.715 -16.671 -14.917 1.00 0.00 O ATOM 1486 CB LYS A 88 11.421 -16.513 -12.304 1.00 0.00 C ATOM 1487 CG LYS A 88 10.129 -17.283 -12.653 1.00 0.00 C ATOM 1488 CD LYS A 88 9.548 -17.983 -11.415 1.00 0.00 C ATOM 1489 CE LYS A 88 8.086 -18.400 -11.630 1.00 0.00 C ATOM 1490 NZ LYS A 88 7.975 -19.618 -12.478 1.00 0.00 N ATOM 0 H LYS A 88 9.702 -14.834 -12.801 1.00 0.00 H new ATOM 0 HA LYS A 88 12.604 -14.795 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.268 -17.196 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.361 -16.169 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.391 -16.594 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.340 -18.022 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.146 -18.863 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.613 -17.315 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.616 -18.586 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.540 -17.581 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.972 -19.866 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.401 -19.433 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.474 -20.407 -12.020 1.00 0.00 H new ATOM 1504 N THR A 89 11.299 -15.058 -15.604 1.00 0.00 N ATOM 1505 CA THR A 89 11.192 -15.415 -17.020 1.00 0.00 C ATOM 1506 C THR A 89 11.162 -14.147 -17.881 1.00 0.00 C ATOM 1507 O THR A 89 11.895 -14.029 -18.861 1.00 0.00 O ATOM 1508 CB THR A 89 9.895 -16.218 -17.219 1.00 0.00 C ATOM 1509 OG1 THR A 89 9.856 -17.353 -16.377 1.00 0.00 O ATOM 1510 CG2 THR A 89 9.765 -16.718 -18.644 1.00 0.00 C ATOM 0 H THR A 89 10.800 -14.196 -15.386 1.00 0.00 H new ATOM 0 HA THR A 89 12.052 -16.013 -17.321 1.00 0.00 H new ATOM 0 HB THR A 89 9.080 -15.536 -16.979 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.020 -17.842 -16.525 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.838 -17.281 -18.749 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.754 -15.869 -19.328 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.610 -17.364 -18.882 1.00 0.00 H new ATOM 1518 N ILE A 90 10.342 -13.173 -17.474 1.00 0.00 N ATOM 1519 CA ILE A 90 10.211 -11.836 -18.082 1.00 0.00 C ATOM 1520 C ILE A 90 11.434 -10.982 -17.701 1.00 0.00 C ATOM 1521 O ILE A 90 12.145 -11.299 -16.747 1.00 0.00 O ATOM 1522 CB ILE A 90 8.868 -11.203 -17.623 1.00 0.00 C ATOM 1523 CG1 ILE A 90 7.654 -12.104 -17.976 1.00 0.00 C ATOM 1524 CG2 ILE A 90 8.621 -9.800 -18.214 1.00 0.00 C ATOM 1525 CD1 ILE A 90 6.428 -11.831 -17.095 1.00 0.00 C ATOM 0 H ILE A 90 9.721 -13.296 -16.675 1.00 0.00 H new ATOM 0 HA ILE A 90 10.189 -11.899 -19.170 1.00 0.00 H new ATOM 0 HB ILE A 90 8.961 -11.110 -16.541 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.385 -11.949 -19.021 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.943 -13.150 -17.873 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.667 -9.416 -17.853 1.00 0.00 H new ATOM 0 HG22 ILE A 90 9.422 -9.129 -17.905 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.599 -9.862 -19.302 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.613 -12.492 -17.391 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.682 -12.013 -16.051 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.116 -10.794 -17.217 1.00 0.00 H new ATOM 1537 N LYS A 91 11.692 -9.892 -18.434 1.00 0.00 N ATOM 1538 CA LYS A 91 12.767 -8.913 -18.211 1.00 0.00 C ATOM 1539 C LYS A 91 14.217 -9.416 -18.361 1.00 0.00 C ATOM 1540 O LYS A 91 15.131 -8.591 -18.389 1.00 0.00 O ATOM 1541 CB LYS A 91 12.516 -8.208 -16.859 1.00 0.00 C ATOM 1542 CG LYS A 91 12.771 -6.697 -16.912 1.00 0.00 C ATOM 1543 CD LYS A 91 11.497 -5.850 -17.065 1.00 0.00 C ATOM 1544 CE LYS A 91 10.765 -6.108 -18.389 1.00 0.00 C ATOM 1545 NZ LYS A 91 9.539 -5.275 -18.505 1.00 0.00 N ATOM 0 H LYS A 91 11.123 -9.654 -19.247 1.00 0.00 H new ATOM 0 HA LYS A 91 12.705 -8.206 -19.038 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.486 -8.386 -16.549 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.159 -8.653 -16.099 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.288 -6.395 -16.001 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.440 -6.481 -17.745 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.823 -6.063 -16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.759 -4.794 -17.000 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.433 -5.893 -19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.498 -7.162 -18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.069 -5.474 -19.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.892 -5.499 -17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.798 -4.269 -18.463 1.00 0.00 H new ATOM 1559 N MET A 92 14.451 -10.728 -18.491 1.00 0.00 N ATOM 1560 CA MET A 92 15.803 -11.318 -18.536 1.00 0.00 C ATOM 1561 C MET A 92 16.361 -11.497 -19.956 1.00 0.00 C ATOM 1562 O MET A 92 17.572 -11.396 -20.149 1.00 0.00 O ATOM 1563 CB MET A 92 15.823 -12.669 -17.811 1.00 0.00 C ATOM 1564 CG MET A 92 15.421 -12.576 -16.333 1.00 0.00 C ATOM 1565 SD MET A 92 15.858 -14.025 -15.328 1.00 0.00 S ATOM 1566 CE MET A 92 15.203 -15.362 -16.365 1.00 0.00 C ATOM 0 H MET A 92 13.704 -11.419 -18.569 1.00 0.00 H new ATOM 0 HA MET A 92 16.450 -10.601 -18.031 1.00 0.00 H new ATOM 0 HB2 MET A 92 15.147 -13.356 -18.321 1.00 0.00 H new ATOM 0 HB3 MET A 92 16.824 -13.095 -17.881 1.00 0.00 H new ATOM 0 HG2 MET A 92 15.893 -11.695 -15.898 1.00 0.00 H new ATOM 0 HG3 MET A 92 14.343 -12.423 -16.274 1.00 0.00 H new ATOM 0 HE1 MET A 92 15.231 -16.300 -15.810 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.174 -15.136 -16.643 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.810 -15.455 -17.265 1.00 0.00 H new ATOM 1576 N PHE A 93 15.498 -11.762 -20.946 1.00 0.00 N ATOM 1577 CA PHE A 93 15.887 -11.968 -22.353 1.00 0.00 C ATOM 1578 C PHE A 93 15.657 -10.732 -23.245 1.00 0.00 C ATOM 1579 O PHE A 93 16.113 -10.689 -24.388 1.00 0.00 O ATOM 1580 CB PHE A 93 15.167 -13.210 -22.904 1.00 0.00 C ATOM 1581 CG PHE A 93 13.666 -13.053 -23.087 1.00 0.00 C ATOM 1582 CD1 PHE A 93 13.148 -12.561 -24.301 1.00 0.00 C ATOM 1583 CD2 PHE A 93 12.786 -13.399 -22.045 1.00 0.00 C ATOM 1584 CE1 PHE A 93 11.759 -12.407 -24.466 1.00 0.00 C ATOM 1585 CE2 PHE A 93 11.398 -13.240 -22.208 1.00 0.00 C ATOM 1586 CZ PHE A 93 10.884 -12.742 -23.419 1.00 0.00 C ATOM 0 H PHE A 93 14.493 -11.841 -20.792 1.00 0.00 H new ATOM 0 HA PHE A 93 16.964 -12.132 -22.374 1.00 0.00 H new ATOM 0 HB2 PHE A 93 15.610 -13.472 -23.865 1.00 0.00 H new ATOM 0 HB3 PHE A 93 15.350 -14.047 -22.230 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.818 -12.301 -25.107 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.178 -13.788 -21.117 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.365 -12.031 -25.399 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.727 -13.500 -21.403 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.818 -12.617 -23.544 1.00 0.00 H new ATOM 1596 N GLU A 94 14.949 -9.720 -22.734 1.00 0.00 N ATOM 1597 CA GLU A 94 14.463 -8.541 -23.472 1.00 0.00 C ATOM 1598 C GLU A 94 15.541 -7.437 -23.638 1.00 0.00 C ATOM 1599 O GLU A 94 15.280 -6.248 -23.439 1.00 0.00 O ATOM 1600 CB GLU A 94 13.164 -8.035 -22.812 1.00 0.00 C ATOM 1601 CG GLU A 94 12.049 -9.095 -22.774 1.00 0.00 C ATOM 1602 CD GLU A 94 10.783 -8.545 -22.093 1.00 0.00 C ATOM 1603 OE1 GLU A 94 9.903 -7.985 -22.792 1.00 0.00 O ATOM 1604 OE2 GLU A 94 10.665 -8.671 -20.850 1.00 0.00 O ATOM 0 H GLU A 94 14.685 -9.696 -21.749 1.00 0.00 H new ATOM 0 HA GLU A 94 14.236 -8.839 -24.496 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.383 -7.712 -21.794 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.806 -7.160 -23.354 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.811 -9.413 -23.789 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.400 -9.977 -22.238 1.00 0.00 H new