USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot -29:sc= 0.15 USER MOD Set 1.2: A 86 ASN : amide:sc= 0 X(o=0.15,f=0.12) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 0.613 X(o=0.61,f=0.16) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.742 K(o=0.74,f=-4.4!) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.792 (180deg=0.521) 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) USER MOD Single : A 54 ASN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.241 K(o=0.24,f=-9.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -77:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.487 X(o=0.49,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+ -164:sc= 1.27 (180deg=0.924) USER MOD Single : A 74 TYR OH : rot 150:sc= -0.178 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.16) 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 -172:sc= 0 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.689 -5.826 2.870 1.00 0.00 N ATOM 624 CA LEU A 35 -8.977 -6.052 1.607 1.00 0.00 C ATOM 625 C LEU A 35 -9.861 -6.675 0.508 1.00 0.00 C ATOM 626 O LEU A 35 -9.719 -7.836 0.118 1.00 0.00 O ATOM 627 CB LEU A 35 -7.628 -6.758 1.881 1.00 0.00 C ATOM 628 CG LEU A 35 -6.474 -6.093 1.112 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.944 -4.864 1.869 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.342 -7.092 0.898 1.00 0.00 C ATOM 0 HA LEU A 35 -8.723 -5.089 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.415 -6.734 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.701 -7.807 1.594 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.856 -5.766 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.129 -4.412 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.747 -4.137 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.580 -5.170 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.530 -6.611 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.975 -7.438 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.711 -7.942 0.324 1.00 0.00 H new ATOM 642 N SER A 36 -10.790 -5.863 -0.003 1.00 0.00 N ATOM 643 CA SER A 36 -11.982 -6.278 -0.753 1.00 0.00 C ATOM 644 C SER A 36 -12.091 -5.540 -2.092 1.00 0.00 C ATOM 645 O SER A 36 -12.827 -4.567 -2.252 1.00 0.00 O ATOM 646 CB SER A 36 -13.224 -6.089 0.129 1.00 0.00 C ATOM 647 OG SER A 36 -14.333 -6.772 -0.434 1.00 0.00 O ATOM 0 H SER A 36 -10.730 -4.850 0.099 1.00 0.00 H new ATOM 0 HA SER A 36 -11.901 -7.335 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.027 -6.466 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.452 -5.028 0.226 1.00 0.00 H new ATOM 0 HG SER A 36 -15.119 -6.646 0.137 1.00 0.00 H new ATOM 653 N GLU A 37 -11.302 -6.019 -3.060 1.00 0.00 N ATOM 654 CA GLU A 37 -11.395 -5.710 -4.507 1.00 0.00 C ATOM 655 C GLU A 37 -11.247 -4.223 -4.895 1.00 0.00 C ATOM 656 O GLU A 37 -11.586 -3.813 -6.004 1.00 0.00 O ATOM 657 CB GLU A 37 -12.664 -6.355 -5.097 1.00 0.00 C ATOM 658 CG GLU A 37 -12.662 -7.888 -5.011 1.00 0.00 C ATOM 659 CD GLU A 37 -13.872 -8.484 -5.758 1.00 0.00 C ATOM 660 OE1 GLU A 37 -14.956 -8.648 -5.144 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.749 -8.806 -6.966 1.00 0.00 O ATOM 0 H GLU A 37 -10.541 -6.666 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.511 -6.157 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.537 -5.970 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.763 -6.057 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.738 -8.279 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.687 -8.197 -3.966 1.00 0.00 H new ATOM 668 N GLU A 38 -10.680 -3.425 -3.992 1.00 0.00 N ATOM 669 CA GLU A 38 -10.377 -1.996 -4.166 1.00 0.00 C ATOM 670 C GLU A 38 -9.074 -1.621 -3.448 1.00 0.00 C ATOM 671 O GLU A 38 -8.259 -0.889 -4.002 1.00 0.00 O ATOM 672 CB GLU A 38 -11.534 -1.131 -3.634 1.00 0.00 C ATOM 673 CG GLU A 38 -12.722 -1.053 -4.602 1.00 0.00 C ATOM 674 CD GLU A 38 -13.798 -0.079 -4.078 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.596 1.158 -4.166 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.858 -0.540 -3.587 1.00 0.00 O ATOM 0 H GLU A 38 -10.404 -3.769 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.253 -1.807 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.875 -1.537 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.166 -0.124 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.376 -0.725 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.156 -2.044 -4.732 1.00 0.00 H new ATOM 683 N GLN A 39 -8.815 -2.174 -2.257 1.00 0.00 N ATOM 684 CA GLN A 39 -7.607 -1.864 -1.478 1.00 0.00 C ATOM 685 C GLN A 39 -6.337 -2.378 -2.172 1.00 0.00 C ATOM 686 O GLN A 39 -5.384 -1.635 -2.400 1.00 0.00 O ATOM 687 CB GLN A 39 -7.735 -2.428 -0.053 1.00 0.00 C ATOM 688 CG GLN A 39 -8.760 -1.693 0.834 1.00 0.00 C ATOM 689 CD GLN A 39 -10.184 -2.197 0.634 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.540 -3.274 1.081 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.030 -1.507 -0.096 1.00 0.00 N ATOM 0 H GLN A 39 -9.434 -2.847 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.515 -0.780 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.015 -3.480 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.759 -2.386 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.480 -1.814 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.723 -0.626 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.753 -0.603 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.964 -1.875 -0.279 1.00 0.00 H new ATOM 700 N LYS A 40 -6.354 -3.632 -2.633 1.00 0.00 N ATOM 701 CA LYS A 40 -5.286 -4.190 -3.483 1.00 0.00 C ATOM 702 C LYS A 40 -5.198 -3.516 -4.863 1.00 0.00 C ATOM 703 O LYS A 40 -4.105 -3.421 -5.416 1.00 0.00 O ATOM 704 CB LYS A 40 -5.437 -5.717 -3.549 1.00 0.00 C ATOM 705 CG LYS A 40 -6.707 -6.152 -4.302 1.00 0.00 C ATOM 706 CD LYS A 40 -7.213 -7.543 -3.882 1.00 0.00 C ATOM 707 CE LYS A 40 -7.701 -7.599 -2.419 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.238 -8.943 -2.067 1.00 0.00 N ATOM 0 H LYS A 40 -7.105 -4.292 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.322 -3.966 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.563 -6.144 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.463 -6.120 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.494 -5.418 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.504 -6.154 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.029 -7.840 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.412 -8.270 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.876 -7.350 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.474 -6.847 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.863 -8.861 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.776 -9.324 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.450 -9.584 -1.843 1.00 0.00 H new ATOM 722 N LYS A 41 -6.307 -2.944 -5.364 1.00 0.00 N ATOM 723 CA LYS A 41 -6.336 -2.078 -6.567 1.00 0.00 C ATOM 724 C LYS A 41 -5.650 -0.716 -6.380 1.00 0.00 C ATOM 725 O LYS A 41 -5.392 -0.031 -7.369 1.00 0.00 O ATOM 726 CB LYS A 41 -7.771 -1.889 -7.103 1.00 0.00 C ATOM 727 CG LYS A 41 -8.604 -3.167 -7.292 1.00 0.00 C ATOM 728 CD LYS A 41 -8.014 -4.111 -8.342 1.00 0.00 C ATOM 729 CE LYS A 41 -8.997 -5.250 -8.644 1.00 0.00 C ATOM 730 NZ LYS A 41 -8.561 -6.047 -9.823 1.00 0.00 N ATOM 0 H LYS A 41 -7.226 -3.070 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.748 -2.617 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.307 -1.230 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.712 -1.374 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.677 -3.691 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.618 -2.894 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.795 -3.559 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.070 -4.521 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.080 -5.901 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.989 -4.837 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.247 -6.808 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.506 -5.430 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.625 -6.461 -9.636 1.00 0.00 H new ATOM 744 N ILE A 42 -5.305 -0.343 -5.145 1.00 0.00 N ATOM 745 CA ILE A 42 -4.389 0.763 -4.819 1.00 0.00 C ATOM 746 C ILE A 42 -2.973 0.219 -4.606 1.00 0.00 C ATOM 747 O ILE A 42 -2.033 0.696 -5.234 1.00 0.00 O ATOM 748 CB ILE A 42 -4.919 1.533 -3.587 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.244 2.248 -3.936 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.917 2.548 -3.004 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.263 2.093 -2.808 1.00 0.00 C ATOM 0 H ILE A 42 -5.665 -0.815 -4.315 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.342 1.469 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.082 0.783 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.054 3.306 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.652 1.836 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.363 3.046 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.011 2.027 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.667 3.289 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.186 2.605 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.469 1.035 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.862 2.528 -1.893 1.00 0.00 H new ATOM 763 N VAL A 43 -2.814 -0.801 -3.756 1.00 0.00 N ATOM 764 CA VAL A 43 -1.499 -1.269 -3.281 1.00 0.00 C ATOM 765 C VAL A 43 -0.720 -1.984 -4.381 1.00 0.00 C ATOM 766 O VAL A 43 0.364 -1.537 -4.747 1.00 0.00 O ATOM 767 CB VAL A 43 -1.645 -2.175 -2.045 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.290 -2.727 -1.576 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.293 -1.408 -0.886 1.00 0.00 C ATOM 0 H VAL A 43 -3.597 -1.331 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.930 -0.385 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.280 -3.010 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.438 -3.361 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.161 -3.313 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.370 -1.899 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.387 -2.066 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.672 -0.552 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.281 -1.061 -1.187 1.00 0.00 H new ATOM 779 N ALA A 44 -1.260 -3.076 -4.928 1.00 0.00 N ATOM 780 CA ALA A 44 -0.559 -3.873 -5.935 1.00 0.00 C ATOM 781 C ALA A 44 -0.445 -3.124 -7.273 1.00 0.00 C ATOM 782 O ALA A 44 0.545 -3.277 -7.988 1.00 0.00 O ATOM 783 CB ALA A 44 -1.245 -5.233 -6.076 1.00 0.00 C ATOM 0 H ALA A 44 -2.186 -3.429 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 44 0.466 -4.044 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.723 -5.828 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.221 -5.754 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.281 -5.088 -6.384 1.00 0.00 H new ATOM 789 N ASP A 45 -1.400 -2.234 -7.565 1.00 0.00 N ATOM 790 CA ASP A 45 -1.248 -1.243 -8.637 1.00 0.00 C ATOM 791 C ASP A 45 -0.017 -0.331 -8.432 1.00 0.00 C ATOM 792 O ASP A 45 0.753 -0.142 -9.370 1.00 0.00 O ATOM 793 CB ASP A 45 -2.535 -0.425 -8.760 1.00 0.00 C ATOM 794 CG ASP A 45 -2.485 0.534 -9.961 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.652 0.063 -11.113 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.291 1.756 -9.760 1.00 0.00 O ATOM 0 H ASP A 45 -2.291 -2.180 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.071 -1.779 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.386 -1.098 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.693 0.145 -7.845 1.00 0.00 H new ATOM 801 N TYR A 46 0.236 0.161 -7.210 1.00 0.00 N ATOM 802 CA TYR A 46 1.435 0.950 -6.874 1.00 0.00 C ATOM 803 C TYR A 46 2.725 0.111 -6.989 1.00 0.00 C ATOM 804 O TYR A 46 3.738 0.585 -7.508 1.00 0.00 O ATOM 805 CB TYR A 46 1.278 1.559 -5.462 1.00 0.00 C ATOM 806 CG TYR A 46 1.910 2.923 -5.212 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.143 3.277 -5.784 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.261 3.842 -4.365 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.706 4.546 -5.565 1.00 0.00 C ATOM 810 CE2 TYR A 46 1.847 5.091 -4.079 1.00 0.00 C ATOM 811 CZ TYR A 46 3.066 5.456 -4.693 1.00 0.00 C ATOM 812 OH TYR A 46 3.630 6.663 -4.416 1.00 0.00 O ATOM 0 H TYR A 46 -0.391 0.022 -6.418 1.00 0.00 H new ATOM 0 HA TYR A 46 1.528 1.760 -7.597 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.213 1.637 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.699 0.856 -4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.667 2.563 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.306 3.587 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.624 4.825 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.365 5.769 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 46 3.053 7.160 -3.799 1.00 0.00 H new ATOM 822 N ILE A 47 2.700 -1.166 -6.593 1.00 0.00 N ATOM 823 CA ILE A 47 3.854 -2.076 -6.745 1.00 0.00 C ATOM 824 C ILE A 47 4.296 -2.169 -8.218 1.00 0.00 C ATOM 825 O ILE A 47 5.494 -2.166 -8.502 1.00 0.00 O ATOM 826 CB ILE A 47 3.533 -3.452 -6.105 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.220 -3.363 -4.588 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.648 -4.490 -6.294 1.00 0.00 C ATOM 829 CD1 ILE A 47 4.012 -2.306 -3.805 1.00 0.00 C ATOM 0 H ILE A 47 1.886 -1.602 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 47 4.711 -1.671 -6.207 1.00 0.00 H new ATOM 0 HB ILE A 47 2.643 -3.778 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.157 -3.157 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.409 -4.338 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.356 -5.428 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.814 -4.656 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.567 -4.124 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.714 -2.331 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.078 -2.518 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.806 -1.318 -4.217 1.00 0.00 H new ATOM 841 N SER A 48 3.351 -2.112 -9.160 1.00 0.00 N ATOM 842 CA SER A 48 3.624 -2.052 -10.605 1.00 0.00 C ATOM 843 C SER A 48 4.109 -0.683 -11.131 1.00 0.00 C ATOM 844 O SER A 48 4.524 -0.608 -12.289 1.00 0.00 O ATOM 845 CB SER A 48 2.390 -2.506 -11.396 1.00 0.00 C ATOM 846 OG SER A 48 2.072 -3.858 -11.096 1.00 0.00 O ATOM 0 H SER A 48 2.355 -2.106 -8.939 1.00 0.00 H new ATOM 0 HA SER A 48 4.461 -2.733 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.542 -1.865 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.577 -2.399 -12.465 1.00 0.00 H new ATOM 0 HG SER A 48 1.282 -4.130 -11.608 1.00 0.00 H new ATOM 852 N GLU A 49 4.098 0.395 -10.333 1.00 0.00 N ATOM 853 CA GLU A 49 4.562 1.732 -10.746 1.00 0.00 C ATOM 854 C GLU A 49 6.031 1.966 -10.382 1.00 0.00 C ATOM 855 O GLU A 49 6.830 2.351 -11.239 1.00 0.00 O ATOM 856 CB GLU A 49 3.721 2.839 -10.085 1.00 0.00 C ATOM 857 CG GLU A 49 2.255 2.856 -10.505 1.00 0.00 C ATOM 858 CD GLU A 49 2.071 3.426 -11.924 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.916 4.664 -12.068 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.086 2.649 -12.909 1.00 0.00 O ATOM 0 H GLU A 49 3.763 0.365 -9.370 1.00 0.00 H new ATOM 0 HA GLU A 49 4.450 1.772 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.774 2.721 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.165 3.806 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.854 1.843 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.681 3.453 -9.796 1.00 0.00 H new ATOM 867 N VAL A 50 6.372 1.760 -9.103 1.00 0.00 N ATOM 868 CA VAL A 50 7.644 2.234 -8.516 1.00 0.00 C ATOM 869 C VAL A 50 8.542 1.133 -7.937 1.00 0.00 C ATOM 870 O VAL A 50 9.717 1.386 -7.677 1.00 0.00 O ATOM 871 CB VAL A 50 7.398 3.361 -7.493 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.544 4.496 -8.067 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.774 2.833 -6.201 1.00 0.00 C ATOM 0 H VAL A 50 5.778 1.261 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 50 8.211 2.635 -9.356 1.00 0.00 H new ATOM 0 HB VAL A 50 8.381 3.770 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.400 5.264 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.048 4.930 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.575 4.103 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.618 3.660 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.817 2.362 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.442 2.101 -5.747 1.00 0.00 H new ATOM 883 N GLY A 51 8.030 -0.085 -7.739 1.00 0.00 N ATOM 884 CA GLY A 51 8.827 -1.295 -7.498 1.00 0.00 C ATOM 885 C GLY A 51 8.366 -2.078 -6.273 1.00 0.00 C ATOM 886 O GLY A 51 7.760 -3.137 -6.403 1.00 0.00 O ATOM 0 H GLY A 51 7.026 -0.263 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.774 -1.939 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.873 -1.015 -7.371 1.00 0.00 H new ATOM 890 N LEU A 52 8.691 -1.571 -5.082 1.00 0.00 N ATOM 891 CA LEU A 52 8.280 -2.143 -3.787 1.00 0.00 C ATOM 892 C LEU A 52 8.484 -1.157 -2.625 1.00 0.00 C ATOM 893 O LEU A 52 7.621 -1.008 -1.763 1.00 0.00 O ATOM 894 CB LEU A 52 9.092 -3.441 -3.541 1.00 0.00 C ATOM 895 CG LEU A 52 8.780 -4.191 -2.232 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.307 -4.578 -2.124 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.608 -5.477 -2.178 1.00 0.00 C ATOM 0 H LEU A 52 9.261 -0.731 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 52 7.213 -2.362 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.918 -4.119 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.153 -3.190 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 52 9.025 -3.519 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.137 -5.104 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.692 -3.679 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.039 -5.228 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.390 -6.011 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.355 -6.108 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.669 -5.228 -2.213 1.00 0.00 H new ATOM 909 N ASN A 53 9.637 -0.483 -2.628 1.00 0.00 N ATOM 910 CA ASN A 53 10.146 0.321 -1.506 1.00 0.00 C ATOM 911 C ASN A 53 10.189 1.840 -1.778 1.00 0.00 C ATOM 912 O ASN A 53 10.514 2.617 -0.878 1.00 0.00 O ATOM 913 CB ASN A 53 11.530 -0.228 -1.112 1.00 0.00 C ATOM 914 CG ASN A 53 11.469 -1.652 -0.583 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.877 -1.933 0.450 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.065 -2.601 -1.270 1.00 0.00 N ATOM 0 H ASN A 53 10.263 -0.479 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 53 9.443 0.223 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.189 -0.195 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.970 0.419 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.032 -3.566 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.560 -2.372 -2.132 1.00 0.00 H new ATOM 923 N ASN A 54 9.877 2.267 -3.007 1.00 0.00 N ATOM 924 CA ASN A 54 9.979 3.669 -3.445 1.00 0.00 C ATOM 925 C ASN A 54 8.663 4.457 -3.274 1.00 0.00 C ATOM 926 O ASN A 54 8.671 5.691 -3.304 1.00 0.00 O ATOM 927 CB ASN A 54 10.500 3.697 -4.891 1.00 0.00 C ATOM 928 CG ASN A 54 11.795 2.919 -5.051 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.830 3.256 -4.493 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.765 1.822 -5.775 1.00 0.00 N ATOM 0 H ASN A 54 9.541 1.641 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 54 10.688 4.184 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.743 3.280 -5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.659 4.731 -5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.605 1.252 -5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.902 1.541 -6.240 1.00 0.00 H new ATOM 937 N LEU A 55 7.542 3.756 -3.065 1.00 0.00 N ATOM 938 CA LEU A 55 6.271 4.330 -2.608 1.00 0.00 C ATOM 939 C LEU A 55 6.361 4.831 -1.156 1.00 0.00 C ATOM 940 O LEU A 55 7.296 4.477 -0.430 1.00 0.00 O ATOM 941 CB LEU A 55 5.153 3.290 -2.825 1.00 0.00 C ATOM 942 CG LEU A 55 5.269 1.967 -2.047 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.691 2.046 -0.637 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.485 0.887 -2.786 1.00 0.00 C ATOM 0 H LEU A 55 7.493 2.748 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 55 6.032 5.216 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.202 3.755 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.111 3.055 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 55 6.333 1.743 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.804 1.081 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.222 2.810 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.633 2.304 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.561 -0.055 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.438 1.181 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.895 0.761 -3.788 1.00 0.00 H new ATOM 956 N ASN A 56 5.376 5.618 -0.712 1.00 0.00 N ATOM 957 CA ASN A 56 5.236 6.003 0.691 1.00 0.00 C ATOM 958 C ASN A 56 3.941 5.448 1.309 1.00 0.00 C ATOM 959 O ASN A 56 3.037 4.961 0.626 1.00 0.00 O ATOM 960 CB ASN A 56 5.439 7.528 0.845 1.00 0.00 C ATOM 961 CG ASN A 56 4.266 8.401 0.430 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.119 7.992 0.367 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.501 9.666 0.192 1.00 0.00 N ATOM 0 H ASN A 56 4.653 6.005 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 56 6.026 5.538 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.673 7.740 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.309 7.820 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.731 10.293 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.454 10.025 0.240 1.00 0.00 H new ATOM 970 N ALA A 57 3.869 5.534 2.632 1.00 0.00 N ATOM 971 CA ALA A 57 2.745 5.061 3.427 1.00 0.00 C ATOM 972 C ALA A 57 1.577 6.066 3.457 1.00 0.00 C ATOM 973 O ALA A 57 0.431 5.676 3.680 1.00 0.00 O ATOM 974 CB ALA A 57 3.314 4.780 4.814 1.00 0.00 C ATOM 0 H ALA A 57 4.612 5.946 3.196 1.00 0.00 H new ATOM 0 HA ALA A 57 2.306 4.162 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.519 4.419 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.095 4.023 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.735 5.697 5.227 1.00 0.00 H new ATOM 980 N THR A 58 1.854 7.350 3.207 1.00 0.00 N ATOM 981 CA THR A 58 0.886 8.459 3.227 1.00 0.00 C ATOM 982 C THR A 58 -0.148 8.318 2.111 1.00 0.00 C ATOM 983 O THR A 58 -1.347 8.356 2.364 1.00 0.00 O ATOM 984 CB THR A 58 1.629 9.802 3.097 1.00 0.00 C ATOM 985 OG1 THR A 58 2.679 9.868 4.041 1.00 0.00 O ATOM 986 CG2 THR A 58 0.738 11.022 3.329 1.00 0.00 C ATOM 0 H THR A 58 2.797 7.661 2.975 1.00 0.00 H new ATOM 0 HA THR A 58 0.354 8.429 4.178 1.00 0.00 H new ATOM 0 HB THR A 58 1.995 9.833 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.147 10.724 3.950 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.330 11.931 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.070 11.027 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.318 10.980 4.334 1.00 0.00 H new ATOM 994 N GLU A 59 0.286 8.086 0.873 1.00 0.00 N ATOM 995 CA GLU A 59 -0.607 7.908 -0.283 1.00 0.00 C ATOM 996 C GLU A 59 -1.488 6.657 -0.140 1.00 0.00 C ATOM 997 O GLU A 59 -2.700 6.725 -0.356 1.00 0.00 O ATOM 998 CB GLU A 59 0.222 7.814 -1.574 1.00 0.00 C ATOM 999 CG GLU A 59 0.966 9.099 -1.965 1.00 0.00 C ATOM 1000 CD GLU A 59 0.003 10.226 -2.389 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.348 10.310 -3.592 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.404 11.040 -1.526 1.00 0.00 O ATOM 0 H GLU A 59 1.276 8.015 0.637 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.266 8.775 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.950 7.011 -1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.440 7.532 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.570 9.437 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.653 8.884 -2.783 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.897 5.538 0.300 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.631 4.319 0.663 1.00 0.00 C ATOM 1011 C LEU A 60 -2.696 4.604 1.734 1.00 0.00 C ATOM 1012 O LEU A 60 -3.878 4.413 1.474 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.648 3.211 1.108 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.268 2.232 -0.018 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.454 2.915 -1.177 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.644 1.134 0.525 1.00 0.00 C ATOM 0 H LEU A 60 0.113 5.453 0.415 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.161 3.961 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.259 3.676 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.094 2.650 1.930 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.205 1.818 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.697 2.176 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.191 3.682 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.372 3.376 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.906 0.448 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.551 1.582 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.126 0.588 1.313 1.00 0.00 H new ATOM 1028 N SER A 61 -2.320 5.123 2.904 1.00 0.00 N ATOM 1029 CA SER A 61 -3.239 5.420 4.018 1.00 0.00 C ATOM 1030 C SER A 61 -4.325 6.454 3.689 1.00 0.00 C ATOM 1031 O SER A 61 -5.388 6.427 4.311 1.00 0.00 O ATOM 1032 CB SER A 61 -2.464 5.835 5.276 1.00 0.00 C ATOM 1033 OG SER A 61 -1.586 6.909 5.029 1.00 0.00 O ATOM 0 H SER A 61 -1.349 5.356 3.114 1.00 0.00 H new ATOM 0 HA SER A 61 -3.768 4.486 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.169 6.116 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.897 4.982 5.649 1.00 0.00 H new ATOM 0 HG SER A 61 -0.787 6.579 4.567 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.123 7.293 2.667 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.111 8.276 2.171 1.00 0.00 C ATOM 1041 C LYS A 62 -6.182 7.630 1.288 1.00 0.00 C ATOM 1042 O LYS A 62 -7.367 7.922 1.450 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.392 9.413 1.423 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.717 10.409 2.383 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.696 11.311 1.666 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.297 12.218 0.583 1.00 0.00 C ATOM 1047 NZ LYS A 62 -4.159 13.288 1.156 1.00 0.00 N ATOM 0 H LYS A 62 -3.248 7.313 2.144 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.629 8.690 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.641 8.989 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.110 9.944 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.479 11.030 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.216 9.859 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.197 11.934 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.931 10.682 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.492 12.673 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.883 11.614 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.542 13.874 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.943 12.856 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.595 13.882 1.797 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.781 6.728 0.383 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.680 5.971 -0.514 1.00 0.00 C ATOM 1063 C ARG A 63 -7.354 4.774 0.173 1.00 0.00 C ATOM 1064 O ARG A 63 -8.506 4.466 -0.124 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.870 5.525 -1.745 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.644 6.627 -2.792 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.915 6.901 -3.610 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.660 7.849 -4.715 1.00 0.00 N ATOM 1069 CZ ARG A 63 -7.031 9.116 -4.799 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.768 9.806 -5.872 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -7.666 9.729 -3.839 1.00 0.00 N ATOM 0 H ARG A 63 -4.798 6.494 0.247 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.498 6.626 -0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.901 5.154 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.385 4.690 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.327 7.543 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.836 6.333 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.296 5.964 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.689 7.304 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.135 7.482 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.275 9.370 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.056 10.783 -5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.896 9.230 -2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.933 10.708 -3.947 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.653 4.124 1.103 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.111 2.954 1.870 1.00 0.00 C ATOM 1087 C LEU A 64 -7.882 3.321 3.148 1.00 0.00 C ATOM 1088 O LEU A 64 -8.667 2.507 3.637 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.881 2.111 2.246 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.103 1.517 1.062 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -3.785 0.929 1.554 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -5.898 0.404 0.401 1.00 0.00 C ATOM 0 H LEU A 64 -5.707 4.408 1.357 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.805 2.401 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.202 2.731 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.204 1.295 2.892 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.922 2.316 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.237 0.509 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.188 1.713 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.986 0.144 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.329 -0.003 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.091 -0.386 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.845 0.801 0.036 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.658 4.523 3.694 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.212 4.986 4.976 1.00 0.00 C ATOM 1106 C ASN A 65 -7.793 4.075 6.161 1.00 0.00 C ATOM 1107 O ASN A 65 -8.613 3.632 6.971 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.725 5.266 4.824 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.276 6.216 5.879 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.566 7.375 5.615 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.443 5.768 7.101 1.00 0.00 N ATOM 0 H ASN A 65 -7.068 5.223 3.243 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.770 5.944 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.911 5.686 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.268 4.322 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.813 6.385 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.203 4.803 7.328 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.489 3.796 6.237 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.790 3.137 7.360 1.00 0.00 C ATOM 1120 C ILE A 66 -4.936 4.150 8.138 1.00 0.00 C ATOM 1121 O ILE A 66 -4.735 5.290 7.719 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.919 1.931 6.898 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.043 2.283 5.682 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.779 0.681 6.687 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.187 1.153 5.112 1.00 0.00 C ATOM 0 H ILE A 66 -5.851 4.034 5.478 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.561 2.740 8.020 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.219 1.694 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.692 2.653 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.383 3.104 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.146 -0.146 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.273 0.417 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.531 0.881 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.616 1.523 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.502 0.793 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.832 0.336 4.789 1.00 0.00 H new ATOM 1137 N THR A 67 -4.388 3.699 9.260 1.00 0.00 N ATOM 1138 CA THR A 67 -3.312 4.362 10.003 1.00 0.00 C ATOM 1139 C THR A 67 -1.999 4.244 9.219 1.00 0.00 C ATOM 1140 O THR A 67 -1.681 3.170 8.704 1.00 0.00 O ATOM 1141 CB THR A 67 -3.220 3.706 11.390 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.326 4.115 12.165 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.955 4.031 12.173 1.00 0.00 C ATOM 0 H THR A 67 -4.689 2.828 9.698 1.00 0.00 H new ATOM 0 HA THR A 67 -3.514 5.425 10.132 1.00 0.00 H new ATOM 0 HB THR A 67 -3.205 2.632 11.204 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.276 3.700 13.051 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.983 3.523 13.137 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.083 3.696 11.611 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.892 5.107 12.332 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.203 5.319 9.154 1.00 0.00 N ATOM 1152 CA VAL A 68 0.074 5.355 8.401 1.00 0.00 C ATOM 1153 C VAL A 68 1.031 4.247 8.856 1.00 0.00 C ATOM 1154 O VAL A 68 1.672 3.587 8.046 1.00 0.00 O ATOM 1155 CB VAL A 68 0.774 6.729 8.537 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.952 6.853 7.562 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.169 7.911 8.269 1.00 0.00 C ATOM 0 H VAL A 68 -1.421 6.198 9.623 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.179 5.190 7.354 1.00 0.00 H new ATOM 0 HB VAL A 68 1.118 6.772 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.423 7.829 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.681 6.070 7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.590 6.748 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.380 8.846 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.563 7.839 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.993 7.888 8.982 1.00 0.00 H new ATOM 1167 N ASP A 69 1.072 3.976 10.159 1.00 0.00 N ATOM 1168 CA ASP A 69 1.930 2.953 10.761 1.00 0.00 C ATOM 1169 C ASP A 69 1.472 1.513 10.487 1.00 0.00 C ATOM 1170 O ASP A 69 2.306 0.604 10.475 1.00 0.00 O ATOM 1171 CB ASP A 69 2.074 3.250 12.261 1.00 0.00 C ATOM 1172 CG ASP A 69 3.381 2.682 12.833 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.451 3.259 12.529 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.338 1.693 13.603 1.00 0.00 O ATOM 0 H ASP A 69 0.498 4.471 10.842 1.00 0.00 H new ATOM 0 HA ASP A 69 2.908 3.010 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.045 4.328 12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.227 2.824 12.799 1.00 0.00 H new ATOM 1179 N LYS A 70 0.185 1.298 10.163 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.282 0.023 9.604 1.00 0.00 C ATOM 1181 C LYS A 70 0.127 -0.106 8.143 1.00 0.00 C ATOM 1182 O LYS A 70 0.546 -1.186 7.741 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.804 -0.137 9.769 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.233 -0.240 11.241 1.00 0.00 C ATOM 1185 CD LYS A 70 -3.756 -0.424 11.351 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.244 -0.462 12.807 1.00 0.00 C ATOM 1187 NZ LYS A 70 -3.834 -1.706 13.515 1.00 0.00 N ATOM 0 H LYS A 70 -0.550 1.995 10.280 1.00 0.00 H new ATOM 0 HA LYS A 70 0.195 -0.782 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.307 0.713 9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.131 -1.030 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.725 -1.080 11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.931 0.660 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.255 0.390 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.043 -1.349 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.850 0.403 13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.331 -0.379 12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.188 -1.682 14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.231 -2.532 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.796 -1.774 13.524 1.00 0.00 H new ATOM 1201 N ALA A 71 0.105 0.988 7.379 1.00 0.00 N ATOM 1202 CA ALA A 71 0.526 0.981 5.974 1.00 0.00 C ATOM 1203 C ALA A 71 2.019 0.637 5.853 1.00 0.00 C ATOM 1204 O ALA A 71 2.388 -0.284 5.123 1.00 0.00 O ATOM 1205 CB ALA A 71 0.179 2.329 5.322 1.00 0.00 C ATOM 0 H ALA A 71 -0.204 1.901 7.714 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.016 0.203 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.493 2.320 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.897 2.493 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.695 3.132 5.849 1.00 0.00 H new ATOM 1211 N LYS A 72 2.861 1.297 6.660 1.00 0.00 N ATOM 1212 CA LYS A 72 4.325 1.119 6.730 1.00 0.00 C ATOM 1213 C LYS A 72 4.758 -0.344 6.905 1.00 0.00 C ATOM 1214 O LYS A 72 5.756 -0.750 6.311 1.00 0.00 O ATOM 1215 CB LYS A 72 4.872 1.962 7.895 1.00 0.00 C ATOM 1216 CG LYS A 72 4.979 3.464 7.584 1.00 0.00 C ATOM 1217 CD LYS A 72 5.181 4.353 8.823 1.00 0.00 C ATOM 1218 CE LYS A 72 6.300 3.844 9.739 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.350 4.585 11.026 1.00 0.00 N ATOM 0 H LYS A 72 2.528 2.004 7.315 1.00 0.00 H new ATOM 0 HA LYS A 72 4.735 1.448 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.226 1.826 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.858 1.587 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.811 3.623 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.074 3.782 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.413 5.369 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.249 4.401 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.150 2.783 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.258 3.941 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.262 4.408 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.246 5.604 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.577 4.263 11.642 1.00 0.00 H new ATOM 1233 N THR A 73 4.013 -1.137 7.682 1.00 0.00 N ATOM 1234 CA THR A 73 4.317 -2.573 7.901 1.00 0.00 C ATOM 1235 C THR A 73 3.531 -3.517 6.984 1.00 0.00 C ATOM 1236 O THR A 73 4.052 -4.554 6.566 1.00 0.00 O ATOM 1237 CB THR A 73 4.175 -2.937 9.388 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.787 -4.183 9.620 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.731 -3.020 9.889 1.00 0.00 C ATOM 0 H THR A 73 3.184 -0.813 8.179 1.00 0.00 H new ATOM 0 HA THR A 73 5.359 -2.721 7.616 1.00 0.00 H new ATOM 0 HB THR A 73 4.655 -2.126 9.936 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.700 -4.419 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.727 -3.282 10.947 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.242 -2.055 9.752 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.193 -3.782 9.325 1.00 0.00 H new ATOM 1247 N TYR A 74 2.313 -3.148 6.580 1.00 0.00 N ATOM 1248 CA TYR A 74 1.507 -3.904 5.616 1.00 0.00 C ATOM 1249 C TYR A 74 2.161 -3.967 4.221 1.00 0.00 C ATOM 1250 O TYR A 74 2.078 -5.002 3.558 1.00 0.00 O ATOM 1251 CB TYR A 74 0.101 -3.289 5.567 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.736 -3.828 4.434 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.782 -3.103 3.231 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.353 -5.090 4.533 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.392 -3.669 2.105 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.982 -5.650 3.404 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.969 -4.953 2.178 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.461 -5.539 1.055 1.00 0.00 O ATOM 0 H TYR A 74 1.852 -2.303 6.918 1.00 0.00 H new ATOM 0 HA TYR A 74 1.438 -4.940 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.408 -3.482 6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.186 -2.207 5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.349 -2.115 3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.344 -5.626 5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.421 -3.119 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.472 -6.609 3.477 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.377 -6.512 1.130 1.00 0.00 H new ATOM 1268 N ILE A 75 2.899 -2.920 3.818 1.00 0.00 N ATOM 1269 CA ILE A 75 3.705 -2.862 2.578 1.00 0.00 C ATOM 1270 C ILE A 75 4.646 -4.078 2.418 1.00 0.00 C ATOM 1271 O ILE A 75 4.953 -4.461 1.289 1.00 0.00 O ATOM 1272 CB ILE A 75 4.482 -1.515 2.541 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.535 -0.347 2.172 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.664 -1.514 1.552 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.068 1.033 2.601 1.00 0.00 C ATOM 0 H ILE A 75 2.956 -2.059 4.362 1.00 0.00 H new ATOM 0 HA ILE A 75 3.028 -2.910 1.725 1.00 0.00 H new ATOM 0 HB ILE A 75 4.886 -1.385 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.374 -0.347 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.565 -0.515 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.160 -0.544 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.374 -2.292 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.295 -1.705 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.355 1.805 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.203 1.051 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.024 1.221 2.113 1.00 0.00 H new ATOM 1287 N LYS A 76 5.079 -4.719 3.516 1.00 0.00 N ATOM 1288 CA LYS A 76 5.919 -5.937 3.494 1.00 0.00 C ATOM 1289 C LYS A 76 5.247 -7.187 4.072 1.00 0.00 C ATOM 1290 O LYS A 76 5.537 -8.295 3.621 1.00 0.00 O ATOM 1291 CB LYS A 76 7.272 -5.626 4.168 1.00 0.00 C ATOM 1292 CG LYS A 76 7.161 -5.265 5.660 1.00 0.00 C ATOM 1293 CD LYS A 76 8.539 -5.006 6.280 1.00 0.00 C ATOM 1294 CE LYS A 76 8.387 -4.605 7.754 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.708 -4.365 8.391 1.00 0.00 N ATOM 0 H LYS A 76 4.854 -4.404 4.460 1.00 0.00 H new ATOM 0 HA LYS A 76 6.082 -6.200 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.926 -6.491 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.748 -4.800 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.537 -4.379 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.666 -6.075 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.156 -5.901 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.051 -4.216 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.778 -3.704 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.859 -5.391 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.570 -4.096 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.279 -5.233 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.201 -3.598 7.890 1.00 0.00 H new ATOM 1309 N ASN A 77 4.281 -7.039 4.977 1.00 0.00 N ATOM 1310 CA ASN A 77 3.426 -8.125 5.481 1.00 0.00 C ATOM 1311 C ASN A 77 2.258 -8.459 4.516 1.00 0.00 C ATOM 1312 O ASN A 77 1.152 -8.794 4.946 1.00 0.00 O ATOM 1313 CB ASN A 77 2.994 -7.806 6.926 1.00 0.00 C ATOM 1314 CG ASN A 77 4.149 -7.940 7.905 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.471 -9.024 8.372 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.822 -6.863 8.234 1.00 0.00 N ATOM 0 H ASN A 77 4.061 -6.135 5.395 1.00 0.00 H new ATOM 0 HA ASN A 77 4.000 -9.051 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.596 -6.792 6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.188 -8.478 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.611 -6.931 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.556 -5.958 7.847 1.00 0.00 H new ATOM 1420 N THR A 84 10.589 -10.734 -7.664 1.00 0.00 N ATOM 1421 CA THR A 84 11.986 -10.507 -7.226 1.00 0.00 C ATOM 1422 C THR A 84 12.504 -9.059 -7.376 1.00 0.00 C ATOM 1423 O THR A 84 13.712 -8.821 -7.421 1.00 0.00 O ATOM 1424 CB THR A 84 12.931 -11.551 -7.869 1.00 0.00 C ATOM 1425 OG1 THR A 84 12.728 -11.718 -9.258 1.00 0.00 O ATOM 1426 CG2 THR A 84 12.753 -12.926 -7.223 1.00 0.00 C ATOM 0 HA THR A 84 11.982 -10.653 -6.146 1.00 0.00 H new ATOM 0 HB THR A 84 13.933 -11.156 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.792 -11.529 -9.477 1.00 0.00 H new ATOM 0 HG21 THR A 84 13.429 -13.640 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.979 -12.860 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.724 -13.260 -7.355 1.00 0.00 H new ATOM 1434 N ASN A 85 11.590 -8.084 -7.490 1.00 0.00 N ATOM 1435 CA ASN A 85 11.833 -6.708 -7.951 1.00 0.00 C ATOM 1436 C ASN A 85 12.602 -6.587 -9.297 1.00 0.00 C ATOM 1437 O ASN A 85 13.055 -5.507 -9.662 1.00 0.00 O ATOM 1438 CB ASN A 85 12.414 -5.899 -6.766 1.00 0.00 C ATOM 1439 CG ASN A 85 12.498 -4.399 -7.001 1.00 0.00 C ATOM 1440 OD1 ASN A 85 13.567 -3.806 -7.037 1.00 0.00 O ATOM 1441 ND2 ASN A 85 11.377 -3.725 -7.130 1.00 0.00 N ATOM 0 H ASN A 85 10.611 -8.242 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 85 10.883 -6.257 -8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.800 -6.081 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.413 -6.274 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.402 -2.714 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.482 -4.213 -7.101 1.00 0.00 H new ATOM 1448 N ASN A 86 12.721 -7.665 -10.085 1.00 0.00 N ATOM 1449 CA ASN A 86 13.467 -7.684 -11.355 1.00 0.00 C ATOM 1450 C ASN A 86 12.680 -7.071 -12.539 1.00 0.00 C ATOM 1451 O ASN A 86 13.265 -6.704 -13.557 1.00 0.00 O ATOM 1452 CB ASN A 86 13.998 -9.110 -11.619 1.00 0.00 C ATOM 1453 CG ASN A 86 13.129 -9.929 -12.556 1.00 0.00 C ATOM 1454 OD1 ASN A 86 13.470 -10.190 -13.702 1.00 0.00 O ATOM 1455 ND2 ASN A 86 11.967 -10.335 -12.110 1.00 0.00 N ATOM 0 H ASN A 86 12.296 -8.563 -9.856 1.00 0.00 H new ATOM 0 HA ASN A 86 14.329 -7.023 -11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.002 -9.041 -12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.085 -9.636 -10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.346 -10.869 -12.718 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.683 -10.117 -11.155 1.00 0.00 H new ATOM 1462 N PHE A 87 11.368 -6.874 -12.377 1.00 0.00 N ATOM 1463 CA PHE A 87 10.443 -6.245 -13.338 1.00 0.00 C ATOM 1464 C PHE A 87 10.593 -4.705 -13.449 1.00 0.00 C ATOM 1465 O PHE A 87 9.739 -4.019 -14.007 1.00 0.00 O ATOM 1466 CB PHE A 87 9.010 -6.680 -12.977 1.00 0.00 C ATOM 1467 CG PHE A 87 8.461 -6.054 -11.705 1.00 0.00 C ATOM 1468 CD1 PHE A 87 8.725 -6.642 -10.451 1.00 0.00 C ATOM 1469 CD2 PHE A 87 7.696 -4.874 -11.772 1.00 0.00 C ATOM 1470 CE1 PHE A 87 8.225 -6.054 -9.275 1.00 0.00 C ATOM 1471 CE2 PHE A 87 7.216 -4.276 -10.596 1.00 0.00 C ATOM 1472 CZ PHE A 87 7.472 -4.870 -9.350 1.00 0.00 C ATOM 0 H PHE A 87 10.891 -7.164 -11.524 1.00 0.00 H new ATOM 0 HA PHE A 87 10.697 -6.594 -14.339 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.348 -6.428 -13.806 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.989 -7.765 -12.871 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.313 -7.546 -10.393 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.478 -4.428 -12.731 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.419 -6.512 -8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.649 -3.358 -10.650 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.090 -4.416 -8.448 1.00 0.00 H new ATOM 1482 N LYS A 88 11.699 -4.153 -12.933 1.00 0.00 N ATOM 1483 CA LYS A 88 12.015 -2.717 -12.795 1.00 0.00 C ATOM 1484 C LYS A 88 12.556 -2.060 -14.073 1.00 0.00 C ATOM 1485 O LYS A 88 12.959 -0.897 -14.063 1.00 0.00 O ATOM 1486 CB LYS A 88 12.980 -2.549 -11.607 1.00 0.00 C ATOM 1487 CG LYS A 88 14.310 -3.308 -11.783 1.00 0.00 C ATOM 1488 CD LYS A 88 15.167 -3.281 -10.510 1.00 0.00 C ATOM 1489 CE LYS A 88 16.134 -4.474 -10.481 1.00 0.00 C ATOM 1490 NZ LYS A 88 17.247 -4.315 -11.456 1.00 0.00 N ATOM 0 H LYS A 88 12.454 -4.737 -12.574 1.00 0.00 H new ATOM 0 HA LYS A 88 11.082 -2.186 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.192 -1.489 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.489 -2.898 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.102 -4.342 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.872 -2.867 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.730 -2.349 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.523 -3.307 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.545 -4.583 -9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.586 -5.390 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.876 -5.142 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.858 -4.237 -12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.787 -3.455 -11.230 1.00 0.00 H new ATOM 1504 N THR A 89 12.573 -2.829 -15.159 1.00 0.00 N ATOM 1505 CA THR A 89 13.207 -2.528 -16.443 1.00 0.00 C ATOM 1506 C THR A 89 12.364 -3.093 -17.592 1.00 0.00 C ATOM 1507 O THR A 89 12.061 -2.400 -18.562 1.00 0.00 O ATOM 1508 CB THR A 89 14.605 -3.173 -16.453 1.00 0.00 C ATOM 1509 OG1 THR A 89 15.378 -2.755 -15.347 1.00 0.00 O ATOM 1510 CG2 THR A 89 15.389 -2.804 -17.696 1.00 0.00 C ATOM 0 H THR A 89 12.114 -3.740 -15.167 1.00 0.00 H new ATOM 0 HA THR A 89 13.289 -1.449 -16.575 1.00 0.00 H new ATOM 0 HB THR A 89 14.429 -4.248 -16.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.259 -3.184 -15.383 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.369 -3.280 -17.663 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.850 -3.144 -18.580 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.513 -1.722 -17.740 1.00 0.00 H new ATOM 1518 N ILE A 90 11.930 -4.351 -17.459 1.00 0.00 N ATOM 1519 CA ILE A 90 11.031 -5.037 -18.402 1.00 0.00 C ATOM 1520 C ILE A 90 9.616 -4.427 -18.291 1.00 0.00 C ATOM 1521 O ILE A 90 9.288 -3.791 -17.289 1.00 0.00 O ATOM 1522 CB ILE A 90 11.059 -6.578 -18.167 1.00 0.00 C ATOM 1523 CG1 ILE A 90 12.499 -7.100 -17.907 1.00 0.00 C ATOM 1524 CG2 ILE A 90 10.468 -7.339 -19.375 1.00 0.00 C ATOM 1525 CD1 ILE A 90 12.595 -8.594 -17.572 1.00 0.00 C ATOM 0 H ILE A 90 12.200 -4.939 -16.671 1.00 0.00 H new ATOM 0 HA ILE A 90 11.372 -4.886 -19.426 1.00 0.00 H new ATOM 0 HB ILE A 90 10.450 -6.763 -17.282 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.107 -6.901 -18.790 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.933 -6.530 -17.086 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.501 -8.411 -19.181 1.00 0.00 H new ATOM 0 HG22 ILE A 90 9.434 -7.030 -19.529 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.051 -7.113 -20.268 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.638 -8.864 -17.407 1.00 0.00 H new ATOM 0 HD12 ILE A 90 12.020 -8.802 -16.670 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.196 -9.179 -18.400 1.00 0.00 H new ATOM 1537 N LYS A 91 8.774 -4.605 -19.318 1.00 0.00 N ATOM 1538 CA LYS A 91 7.365 -4.149 -19.397 1.00 0.00 C ATOM 1539 C LYS A 91 7.145 -2.622 -19.463 1.00 0.00 C ATOM 1540 O LYS A 91 5.992 -2.195 -19.545 1.00 0.00 O ATOM 1541 CB LYS A 91 6.511 -4.807 -18.277 1.00 0.00 C ATOM 1542 CG LYS A 91 6.540 -6.347 -18.239 1.00 0.00 C ATOM 1543 CD LYS A 91 5.590 -6.958 -19.280 1.00 0.00 C ATOM 1544 CE LYS A 91 5.975 -8.379 -19.717 1.00 0.00 C ATOM 1545 NZ LYS A 91 5.892 -9.365 -18.606 1.00 0.00 N ATOM 0 H LYS A 91 9.065 -5.095 -20.164 1.00 0.00 H new ATOM 0 HA LYS A 91 7.021 -4.493 -20.372 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.855 -4.431 -17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.477 -4.483 -18.395 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.556 -6.697 -18.424 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.260 -6.692 -17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.580 -6.976 -18.870 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.566 -6.313 -20.158 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.319 -8.695 -20.528 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.990 -8.370 -20.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.162 -10.306 -18.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.538 -9.082 -17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.918 -9.397 -18.243 1.00 0.00 H new ATOM 1559 N MET A 92 8.204 -1.799 -19.464 1.00 0.00 N ATOM 1560 CA MET A 92 8.093 -0.324 -19.452 1.00 0.00 C ATOM 1561 C MET A 92 8.435 0.362 -20.789 1.00 0.00 C ATOM 1562 O MET A 92 7.720 1.277 -21.202 1.00 0.00 O ATOM 1563 CB MET A 92 8.937 0.268 -18.314 1.00 0.00 C ATOM 1564 CG MET A 92 8.503 -0.250 -16.935 1.00 0.00 C ATOM 1565 SD MET A 92 9.043 0.755 -15.523 1.00 0.00 S ATOM 1566 CE MET A 92 10.835 0.711 -15.782 1.00 0.00 C ATOM 0 H MET A 92 9.167 -2.134 -19.473 1.00 0.00 H new ATOM 0 HA MET A 92 7.036 -0.116 -19.284 1.00 0.00 H new ATOM 0 HB2 MET A 92 9.986 0.023 -18.478 1.00 0.00 H new ATOM 0 HB3 MET A 92 8.857 1.355 -18.333 1.00 0.00 H new ATOM 0 HG2 MET A 92 7.415 -0.318 -16.917 1.00 0.00 H new ATOM 0 HG3 MET A 92 8.888 -1.262 -16.808 1.00 0.00 H new ATOM 0 HE1 MET A 92 11.338 1.160 -14.925 1.00 0.00 H new ATOM 0 HE2 MET A 92 11.161 -0.323 -15.893 1.00 0.00 H new ATOM 0 HE3 MET A 92 11.086 1.270 -16.684 1.00 0.00 H new ATOM 1576 N PHE A 93 9.499 -0.067 -21.479 1.00 0.00 N ATOM 1577 CA PHE A 93 9.919 0.499 -22.779 1.00 0.00 C ATOM 1578 C PHE A 93 9.170 -0.114 -23.975 1.00 0.00 C ATOM 1579 O PHE A 93 9.109 0.473 -25.057 1.00 0.00 O ATOM 1580 CB PHE A 93 11.427 0.293 -22.969 1.00 0.00 C ATOM 1581 CG PHE A 93 12.273 0.748 -21.800 1.00 0.00 C ATOM 1582 CD1 PHE A 93 12.602 2.107 -21.643 1.00 0.00 C ATOM 1583 CD2 PHE A 93 12.713 -0.197 -20.855 1.00 0.00 C ATOM 1584 CE1 PHE A 93 13.376 2.522 -20.544 1.00 0.00 C ATOM 1585 CE2 PHE A 93 13.491 0.218 -19.760 1.00 0.00 C ATOM 1586 CZ PHE A 93 13.822 1.577 -19.602 1.00 0.00 C ATOM 0 H PHE A 93 10.101 -0.823 -21.153 1.00 0.00 H new ATOM 0 HA PHE A 93 9.673 1.561 -22.753 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.617 -0.765 -23.149 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.745 0.830 -23.863 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.260 2.832 -22.367 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.454 -1.239 -20.971 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.628 3.565 -20.424 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.836 -0.508 -19.038 1.00 0.00 H new ATOM 0 HZ PHE A 93 14.418 1.894 -18.759 1.00 0.00 H new ATOM 1596 N GLU A 94 8.616 -1.309 -23.777 1.00 0.00 N ATOM 1597 CA GLU A 94 7.828 -2.068 -24.747 1.00 0.00 C ATOM 1598 C GLU A 94 6.343 -1.648 -24.701 1.00 0.00 C ATOM 1599 O GLU A 94 5.772 -1.468 -23.623 1.00 0.00 O ATOM 1600 CB GLU A 94 8.017 -3.564 -24.432 1.00 0.00 C ATOM 1601 CG GLU A 94 9.350 -4.140 -24.936 1.00 0.00 C ATOM 1602 CD GLU A 94 9.392 -4.253 -26.474 1.00 0.00 C ATOM 1603 OE1 GLU A 94 8.874 -5.254 -27.026 1.00 0.00 O ATOM 1604 OE2 GLU A 94 9.949 -3.347 -27.141 1.00 0.00 O ATOM 0 H GLU A 94 8.710 -1.800 -22.888 1.00 0.00 H new ATOM 0 HA GLU A 94 8.168 -1.864 -25.763 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.953 -3.710 -23.354 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.197 -4.126 -24.878 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.169 -3.505 -24.598 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.507 -5.125 -24.497 1.00 0.00 H new