USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot -117:sc= -0.603 USER MOD Set 1.2: A 102 GLN : amide:sc= -6.77! C(o=-7.4!,f=-7.6!) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.389 K(o=0.67,f=-3.1!) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.284 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.58 K(o=-6.1,f=-10!) USER MOD Set 3.2: A 59 THR OG1 : rot -96:sc= 1 USER MOD Set 3.3: A 97 GLN : amide:sc= -5.54! C(o=-6.1!,f=-7.7!) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -5.61! C(o=-13!,f=-14!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.33! C(o=-13!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 79:sc= -0.173 USER MOD Single : A 61 GLN : amide:sc= -2.11! C(o=-2.1!,f=-1.8!) USER MOD Single : A 67 TYR OH : rot -141:sc= 0.342 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= -0.0992 (180deg=-0.456) USER MOD Single : A 83 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.047) USER MOD Single : A 85 THR OG1 : rot -34:sc= 0.621 USER MOD Single : A 89 HIS : no HD1:sc= -3! C(o=-3!,f=-5.5!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.1 K(o=-2.1,f=-6.9!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 107 CYS SG : rot -100:sc= 0.658 USER MOD Single : A 108 GLN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -4.21 X(o=-4.2,f=-4!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.412 -12.437 -12.927 1.00 0.00 N ATOM 607 CA ASP A 42 0.883 -12.074 -11.616 1.00 0.00 C ATOM 608 C ASP A 42 1.199 -10.620 -11.283 1.00 0.00 C ATOM 609 O ASP A 42 1.874 -10.328 -10.297 1.00 0.00 O ATOM 610 CB ASP A 42 1.457 -12.994 -10.535 1.00 0.00 C ATOM 611 CG ASP A 42 0.425 -13.376 -9.493 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.620 -13.944 -9.873 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.662 -13.106 -8.297 1.00 0.00 O ATOM 0 HA ASP A 42 -0.200 -12.193 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.850 -13.897 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.295 -12.497 -10.047 1.00 0.00 H new ATOM 618 N TYR A 43 0.709 -9.714 -12.117 1.00 0.00 N ATOM 619 CA TYR A 43 0.943 -8.291 -11.917 1.00 0.00 C ATOM 620 C TYR A 43 0.368 -7.821 -10.585 1.00 0.00 C ATOM 621 O TYR A 43 -0.492 -8.479 -9.998 1.00 0.00 O ATOM 622 CB TYR A 43 0.332 -7.484 -13.063 1.00 0.00 C ATOM 623 CG TYR A 43 0.934 -7.783 -14.422 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.177 -8.397 -14.542 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.255 -7.446 -15.586 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.723 -8.664 -15.781 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.796 -7.713 -16.830 1.00 0.00 C ATOM 628 CZ TYR A 43 2.030 -8.322 -16.922 1.00 0.00 C ATOM 629 OH TYR A 43 2.570 -8.588 -18.159 1.00 0.00 O ATOM 0 H TYR A 43 0.147 -9.939 -12.938 1.00 0.00 H new ATOM 0 HA TYR A 43 2.021 -8.128 -11.902 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.739 -7.681 -13.101 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.453 -6.422 -12.850 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.723 -8.669 -13.651 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.711 -6.968 -15.518 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.690 -9.139 -15.856 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.255 -7.446 -17.726 1.00 0.00 H new ATOM 0 HH TYR A 43 1.953 -8.285 -18.857 1.00 0.00 H new ATOM 639 N ILE A 44 0.845 -6.671 -10.118 1.00 0.00 N ATOM 640 CA ILE A 44 0.377 -6.101 -8.861 1.00 0.00 C ATOM 641 C ILE A 44 -0.428 -4.832 -9.127 1.00 0.00 C ATOM 642 O ILE A 44 0.126 -3.738 -9.237 1.00 0.00 O ATOM 643 CB ILE A 44 1.553 -5.795 -7.907 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.319 -7.080 -7.583 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.057 -5.142 -6.624 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.442 -8.186 -7.045 1.00 0.00 C ATOM 0 H ILE A 44 1.557 -6.115 -10.593 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.264 -6.838 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 44 2.225 -5.098 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.821 -7.431 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.096 -6.856 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.904 -4.937 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.549 -4.208 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.362 -5.813 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.052 -9.065 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.960 -7.854 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.681 -8.438 -7.783 1.00 0.00 H new ATOM 658 N HIS A 45 -1.739 -5.002 -9.250 1.00 0.00 N ATOM 659 CA HIS A 45 -2.645 -3.895 -9.530 1.00 0.00 C ATOM 660 C HIS A 45 -2.728 -2.905 -8.371 1.00 0.00 C ATOM 661 O HIS A 45 -3.235 -3.227 -7.298 1.00 0.00 O ATOM 662 CB HIS A 45 -4.041 -4.439 -9.840 1.00 0.00 C ATOM 663 CG HIS A 45 -4.558 -4.046 -11.188 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.382 -4.818 -12.317 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.259 -2.959 -11.583 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.952 -4.222 -13.348 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.492 -3.092 -12.930 1.00 0.00 N ATOM 0 H HIS A 45 -2.202 -5.906 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.248 -3.358 -10.392 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.020 -5.527 -9.773 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.736 -4.086 -9.078 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.576 -2.139 -10.956 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.973 -4.595 -14.361 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.000 -2.426 -13.513 1.00 0.00 H new ATOM 676 N ILE A 46 -2.246 -1.689 -8.611 1.00 0.00 N ATOM 677 CA ILE A 46 -2.289 -0.633 -7.601 1.00 0.00 C ATOM 678 C ILE A 46 -3.706 -0.041 -7.519 1.00 0.00 C ATOM 679 O ILE A 46 -4.571 -0.609 -6.851 1.00 0.00 O ATOM 680 CB ILE A 46 -1.258 0.478 -7.898 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.149 -0.118 -8.017 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.296 1.550 -6.819 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.701 -0.650 -6.711 1.00 0.00 C ATOM 0 H ILE A 46 -1.821 -1.409 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.029 -1.076 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.518 0.944 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.130 -0.926 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.825 0.645 -8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.562 2.323 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.291 1.994 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.062 1.102 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.699 -1.055 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.754 0.159 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.048 -1.437 -6.334 1.00 0.00 H new ATOM 695 N ARG A 47 -3.953 1.082 -8.214 1.00 0.00 N ATOM 696 CA ARG A 47 -5.273 1.717 -8.233 1.00 0.00 C ATOM 697 C ARG A 47 -5.469 2.672 -7.060 1.00 0.00 C ATOM 698 O ARG A 47 -5.152 2.349 -5.915 1.00 0.00 O ATOM 699 CB ARG A 47 -6.389 0.666 -8.238 1.00 0.00 C ATOM 700 CG ARG A 47 -7.624 1.093 -9.015 1.00 0.00 C ATOM 701 CD ARG A 47 -8.134 -0.023 -9.913 1.00 0.00 C ATOM 702 NE ARG A 47 -9.352 0.361 -10.623 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.994 -0.432 -11.477 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.538 -1.653 -11.734 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.097 -0.005 -12.077 1.00 0.00 N ATOM 0 H ARG A 47 -3.250 1.567 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.326 2.299 -9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.003 -0.259 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.675 0.447 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.409 1.388 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.389 1.969 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.362 -0.289 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.329 -0.911 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.733 1.292 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.691 -1.988 -11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.035 -2.256 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.453 0.931 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.589 -0.613 -12.732 1.00 0.00 H new ATOM 719 N ILE A 48 -6.014 3.846 -7.364 1.00 0.00 N ATOM 720 CA ILE A 48 -6.285 4.864 -6.356 1.00 0.00 C ATOM 721 C ILE A 48 -7.792 5.071 -6.214 1.00 0.00 C ATOM 722 O ILE A 48 -8.550 4.820 -7.151 1.00 0.00 O ATOM 723 CB ILE A 48 -5.605 6.209 -6.717 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.157 6.226 -6.223 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.373 7.391 -6.138 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.431 7.514 -6.545 1.00 0.00 C ATOM 0 H ILE A 48 -6.279 4.117 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.873 4.516 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.609 6.303 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.146 6.071 -5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.618 5.391 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.870 8.319 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.387 7.397 -6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.412 7.303 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.410 7.460 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.411 7.660 -7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.948 8.350 -6.075 1.00 0.00 H new ATOM 738 N GLN A 49 -8.222 5.531 -5.044 1.00 0.00 N ATOM 739 CA GLN A 49 -9.640 5.768 -4.800 1.00 0.00 C ATOM 740 C GLN A 49 -9.859 7.075 -4.045 1.00 0.00 C ATOM 741 O GLN A 49 -9.644 7.151 -2.835 1.00 0.00 O ATOM 742 CB GLN A 49 -10.252 4.603 -4.021 1.00 0.00 C ATOM 743 CG GLN A 49 -9.664 4.418 -2.633 1.00 0.00 C ATOM 744 CD GLN A 49 -9.276 2.979 -2.350 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.555 2.354 -3.128 1.00 0.00 O ATOM 746 NE2 GLN A 49 -9.757 2.444 -1.234 1.00 0.00 N ATOM 0 H GLN A 49 -7.613 5.746 -4.254 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.136 5.846 -5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.327 4.762 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.112 3.684 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.786 5.055 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.389 4.748 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.351 2.998 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.532 1.479 -0.993 1.00 0.00 H new ATOM 755 N GLN A 50 -10.291 8.101 -4.771 1.00 0.00 N ATOM 756 CA GLN A 50 -10.548 9.406 -4.177 1.00 0.00 C ATOM 757 C GLN A 50 -12.049 9.647 -4.045 1.00 0.00 C ATOM 758 O GLN A 50 -12.726 9.974 -5.019 1.00 0.00 O ATOM 759 CB GLN A 50 -9.904 10.507 -5.024 1.00 0.00 C ATOM 760 CG GLN A 50 -9.059 11.477 -4.219 1.00 0.00 C ATOM 761 CD GLN A 50 -8.406 12.538 -5.081 1.00 0.00 C ATOM 762 OE1 GLN A 50 -9.046 13.131 -5.950 1.00 0.00 O ATOM 763 NE2 GLN A 50 -7.123 12.782 -4.843 1.00 0.00 N ATOM 0 H GLN A 50 -10.471 8.053 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.107 9.427 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.282 10.046 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.687 11.062 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.684 11.959 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.287 10.923 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.633 12.266 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.628 13.486 -5.391 1.00 0.00 H new ATOM 772 N ARG A 51 -12.563 9.467 -2.832 1.00 0.00 N ATOM 773 CA ARG A 51 -13.988 9.648 -2.565 1.00 0.00 C ATOM 774 C ARG A 51 -14.475 11.024 -3.017 1.00 0.00 C ATOM 775 O ARG A 51 -15.066 11.159 -4.089 1.00 0.00 O ATOM 776 CB ARG A 51 -14.275 9.454 -1.074 1.00 0.00 C ATOM 777 CG ARG A 51 -14.580 8.014 -0.697 1.00 0.00 C ATOM 778 CD ARG A 51 -13.307 7.228 -0.426 1.00 0.00 C ATOM 779 NE ARG A 51 -13.507 5.789 -0.584 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.084 5.016 0.333 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.520 5.539 1.473 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.226 3.716 0.110 1.00 0.00 N ATOM 0 H ARG A 51 -12.014 9.196 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.531 8.896 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.415 9.797 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.119 10.082 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.216 7.995 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.139 7.537 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.523 7.562 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.961 7.437 0.586 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.186 5.351 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.413 6.538 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.961 4.942 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.893 3.309 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.668 3.123 0.813 1.00 0.00 H new ATOM 796 N ASN A 52 -14.231 12.041 -2.195 1.00 0.00 N ATOM 797 CA ASN A 52 -14.655 13.400 -2.516 1.00 0.00 C ATOM 798 C ASN A 52 -13.550 14.167 -3.237 1.00 0.00 C ATOM 799 O ASN A 52 -13.279 15.327 -2.925 1.00 0.00 O ATOM 800 CB ASN A 52 -15.058 14.144 -1.239 1.00 0.00 C ATOM 801 CG ASN A 52 -16.062 13.368 -0.410 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.006 12.783 -0.944 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.866 13.361 0.903 1.00 0.00 N ATOM 0 H ASN A 52 -13.743 11.950 -1.304 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.516 13.335 -3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.169 14.338 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.482 15.113 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.511 12.857 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.071 13.859 1.303 1.00 0.00 H new ATOM 810 N GLY A 53 -12.913 13.512 -4.203 1.00 0.00 N ATOM 811 CA GLY A 53 -11.845 14.147 -4.951 1.00 0.00 C ATOM 812 C GLY A 53 -10.727 14.635 -4.054 1.00 0.00 C ATOM 813 O GLY A 53 -9.994 15.559 -4.408 1.00 0.00 O ATOM 0 H GLY A 53 -13.118 12.552 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.443 13.440 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.249 14.988 -5.514 1.00 0.00 H new ATOM 817 N ARG A 54 -10.600 14.015 -2.885 1.00 0.00 N ATOM 818 CA ARG A 54 -9.568 14.393 -1.930 1.00 0.00 C ATOM 819 C ARG A 54 -9.145 13.196 -1.084 1.00 0.00 C ATOM 820 O ARG A 54 -7.955 12.945 -0.898 1.00 0.00 O ATOM 821 CB ARG A 54 -10.071 15.531 -1.039 1.00 0.00 C ATOM 822 CG ARG A 54 -11.048 15.086 0.040 1.00 0.00 C ATOM 823 CD ARG A 54 -11.513 16.261 0.885 1.00 0.00 C ATOM 824 NE ARG A 54 -10.391 16.994 1.468 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.518 18.144 2.123 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.714 18.696 2.286 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.445 18.746 2.619 1.00 0.00 N ATOM 0 H ARG A 54 -11.199 13.249 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.694 14.738 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.216 16.012 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.553 16.282 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.910 14.605 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.573 14.342 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.107 16.937 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.163 15.900 1.682 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.456 16.600 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.543 18.238 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.804 19.578 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.523 18.327 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.542 19.628 3.122 1.00 0.00 H new ATOM 841 N LYS A 55 -10.127 12.456 -0.579 1.00 0.00 N ATOM 842 CA LYS A 55 -9.854 11.283 0.241 1.00 0.00 C ATOM 843 C LYS A 55 -9.284 10.156 -0.613 1.00 0.00 C ATOM 844 O LYS A 55 -9.918 9.117 -0.798 1.00 0.00 O ATOM 845 CB LYS A 55 -11.129 10.817 0.947 1.00 0.00 C ATOM 846 CG LYS A 55 -10.892 10.292 2.355 1.00 0.00 C ATOM 847 CD LYS A 55 -10.359 11.379 3.277 1.00 0.00 C ATOM 848 CE LYS A 55 -11.279 12.589 3.308 1.00 0.00 C ATOM 849 NZ LYS A 55 -11.068 13.417 4.526 1.00 0.00 N ATOM 0 H LYS A 55 -11.118 12.648 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.116 11.555 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.833 11.648 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.598 10.034 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.825 9.897 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.184 9.464 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.249 10.980 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.367 11.684 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.107 13.198 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.317 12.257 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.714 14.232 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.257 12.843 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.085 13.756 4.550 1.00 0.00 H new ATOM 863 N THR A 56 -8.085 10.375 -1.140 1.00 0.00 N ATOM 864 CA THR A 56 -7.425 9.388 -1.983 1.00 0.00 C ATOM 865 C THR A 56 -6.914 8.215 -1.155 1.00 0.00 C ATOM 866 O THR A 56 -6.390 8.398 -0.057 1.00 0.00 O ATOM 867 CB THR A 56 -6.269 10.037 -2.746 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.369 11.449 -2.709 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.205 9.620 -4.198 1.00 0.00 C ATOM 0 H THR A 56 -7.549 11.231 -0.997 1.00 0.00 H new ATOM 0 HA THR A 56 -8.155 9.007 -2.697 1.00 0.00 H new ATOM 0 HB THR A 56 -5.364 9.694 -2.244 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.472 11.842 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.363 10.115 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.075 8.540 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.130 9.904 -4.699 1.00 0.00 H new ATOM 877 N LEU A 57 -7.069 7.010 -1.692 1.00 0.00 N ATOM 878 CA LEU A 57 -6.622 5.805 -1.007 1.00 0.00 C ATOM 879 C LEU A 57 -6.047 4.799 -2.002 1.00 0.00 C ATOM 880 O LEU A 57 -6.788 4.056 -2.645 1.00 0.00 O ATOM 881 CB LEU A 57 -7.781 5.173 -0.235 1.00 0.00 C ATOM 882 CG LEU A 57 -7.712 5.339 1.284 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.036 6.770 1.679 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.656 4.364 1.971 1.00 0.00 C ATOM 0 H LEU A 57 -7.501 6.843 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.837 6.084 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.715 5.608 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.816 4.109 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.696 5.117 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.982 6.869 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.318 7.447 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.041 7.022 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.593 4.497 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.678 4.553 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.375 3.343 1.714 1.00 0.00 H new ATOM 896 N THR A 58 -4.725 4.782 -2.129 1.00 0.00 N ATOM 897 CA THR A 58 -4.059 3.869 -3.053 1.00 0.00 C ATOM 898 C THR A 58 -4.105 2.434 -2.540 1.00 0.00 C ATOM 899 O THR A 58 -3.560 2.125 -1.481 1.00 0.00 O ATOM 900 CB THR A 58 -2.605 4.298 -3.264 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.450 5.684 -3.015 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.099 4.023 -4.663 1.00 0.00 C ATOM 0 H THR A 58 -4.094 5.388 -1.605 1.00 0.00 H new ATOM 0 HA THR A 58 -4.589 3.910 -4.004 1.00 0.00 H new ATOM 0 HB THR A 58 -2.022 3.704 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.409 5.840 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.063 4.350 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.159 2.954 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.710 4.566 -5.384 1.00 0.00 H new ATOM 910 N THR A 59 -4.752 1.555 -3.298 1.00 0.00 N ATOM 911 CA THR A 59 -4.854 0.152 -2.914 1.00 0.00 C ATOM 912 C THR A 59 -3.805 -0.683 -3.637 1.00 0.00 C ATOM 913 O THR A 59 -3.377 -0.339 -4.737 1.00 0.00 O ATOM 914 CB THR A 59 -6.249 -0.397 -3.218 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.875 0.359 -4.240 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.168 -0.397 -2.017 1.00 0.00 C ATOM 0 H THR A 59 -5.212 1.788 -4.178 1.00 0.00 H new ATOM 0 HA THR A 59 -4.678 0.089 -1.840 1.00 0.00 H new ATOM 0 HB THR A 59 -6.090 -1.429 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.451 1.041 -3.836 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.140 -0.799 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.737 -1.015 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.290 0.623 -1.652 1.00 0.00 H new ATOM 924 N VAL A 60 -3.396 -1.783 -3.016 1.00 0.00 N ATOM 925 CA VAL A 60 -2.402 -2.665 -3.612 1.00 0.00 C ATOM 926 C VAL A 60 -2.962 -4.070 -3.787 1.00 0.00 C ATOM 927 O VAL A 60 -3.320 -4.736 -2.813 1.00 0.00 O ATOM 928 CB VAL A 60 -1.117 -2.720 -2.768 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.092 -3.655 -3.399 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.540 -1.325 -2.608 1.00 0.00 C ATOM 0 H VAL A 60 -3.736 -2.084 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.152 -2.255 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.367 -3.112 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.808 -3.677 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.509 -4.660 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.160 -3.298 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.369 -1.374 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.306 -0.913 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.268 -0.685 -2.110 1.00 0.00 H new ATOM 940 N GLN A 61 -3.035 -4.509 -5.040 1.00 0.00 N ATOM 941 CA GLN A 61 -3.551 -5.831 -5.365 1.00 0.00 C ATOM 942 C GLN A 61 -2.462 -6.701 -5.984 1.00 0.00 C ATOM 943 O GLN A 61 -1.525 -6.196 -6.599 1.00 0.00 O ATOM 944 CB GLN A 61 -4.732 -5.712 -6.326 1.00 0.00 C ATOM 945 CG GLN A 61 -5.822 -6.741 -6.081 1.00 0.00 C ATOM 946 CD GLN A 61 -6.379 -7.315 -7.368 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.632 -8.516 -7.468 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.572 -6.456 -8.362 1.00 0.00 N ATOM 0 H GLN A 61 -2.741 -3.963 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.887 -6.303 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.161 -4.714 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.369 -5.816 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.422 -7.550 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.630 -6.281 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.348 -5.469 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.944 -6.783 -9.254 1.00 0.00 H new ATOM 957 N GLY A 62 -2.593 -8.011 -5.812 1.00 0.00 N ATOM 958 CA GLY A 62 -1.612 -8.932 -6.353 1.00 0.00 C ATOM 959 C GLY A 62 -0.665 -9.440 -5.287 1.00 0.00 C ATOM 960 O GLY A 62 -0.161 -10.560 -5.370 1.00 0.00 O ATOM 0 H GLY A 62 -3.362 -8.452 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.123 -9.776 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.042 -8.435 -7.138 1.00 0.00 H new ATOM 964 N ILE A 63 -0.426 -8.605 -4.284 1.00 0.00 N ATOM 965 CA ILE A 63 0.465 -8.953 -3.186 1.00 0.00 C ATOM 966 C ILE A 63 -0.044 -10.181 -2.436 1.00 0.00 C ATOM 967 O ILE A 63 -1.250 -10.416 -2.351 1.00 0.00 O ATOM 968 CB ILE A 63 0.628 -7.757 -2.217 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.402 -6.617 -2.894 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.321 -8.178 -0.929 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.461 -7.080 -3.872 1.00 0.00 C ATOM 0 H ILE A 63 -0.840 -7.676 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 63 1.441 -9.194 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.369 -7.399 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.695 -5.975 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.876 -6.008 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.420 -7.315 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.730 -8.948 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.310 -8.573 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.960 -6.213 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.193 -7.697 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.994 -7.663 -4.665 1.00 0.00 H new ATOM 983 N ALA A 64 0.887 -10.966 -1.903 1.00 0.00 N ATOM 984 CA ALA A 64 0.542 -12.178 -1.172 1.00 0.00 C ATOM 985 C ALA A 64 0.306 -11.889 0.305 1.00 0.00 C ATOM 986 O ALA A 64 1.099 -11.204 0.950 1.00 0.00 O ATOM 987 CB ALA A 64 1.639 -13.218 -1.339 1.00 0.00 C ATOM 0 H ALA A 64 1.889 -10.783 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.387 -12.569 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.372 -14.120 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.755 -13.458 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.578 -12.822 -0.952 1.00 0.00 H new ATOM 993 N ASP A 65 -0.786 -12.429 0.838 1.00 0.00 N ATOM 994 CA ASP A 65 -1.120 -12.239 2.244 1.00 0.00 C ATOM 995 C ASP A 65 0.007 -12.749 3.137 1.00 0.00 C ATOM 996 O ASP A 65 0.135 -12.333 4.288 1.00 0.00 O ATOM 997 CB ASP A 65 -2.425 -12.963 2.583 1.00 0.00 C ATOM 998 CG ASP A 65 -3.073 -12.428 3.844 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.554 -11.275 3.822 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.099 -13.161 4.855 1.00 0.00 O ATOM 0 H ASP A 65 -1.453 -13.000 0.318 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.251 -11.172 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.120 -12.862 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.226 -14.028 2.704 1.00 0.00 H new ATOM 1005 N ASP A 66 0.827 -13.646 2.595 1.00 0.00 N ATOM 1006 CA ASP A 66 1.948 -14.206 3.340 1.00 0.00 C ATOM 1007 C ASP A 66 2.911 -13.102 3.767 1.00 0.00 C ATOM 1008 O ASP A 66 3.605 -13.227 4.775 1.00 0.00 O ATOM 1009 CB ASP A 66 2.684 -15.245 2.495 1.00 0.00 C ATOM 1010 CG ASP A 66 1.865 -16.503 2.281 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.624 -16.432 2.406 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.464 -17.560 1.989 1.00 0.00 O ATOM 0 H ASP A 66 0.735 -14.000 1.643 1.00 0.00 H new ATOM 0 HA ASP A 66 1.557 -14.693 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.936 -14.810 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.624 -15.505 2.982 1.00 0.00 H new ATOM 1017 N TYR A 67 2.940 -12.019 2.994 1.00 0.00 N ATOM 1018 CA TYR A 67 3.810 -10.887 3.289 1.00 0.00 C ATOM 1019 C TYR A 67 3.598 -10.403 4.720 1.00 0.00 C ATOM 1020 O TYR A 67 2.807 -10.974 5.470 1.00 0.00 O ATOM 1021 CB TYR A 67 3.521 -9.736 2.323 1.00 0.00 C ATOM 1022 CG TYR A 67 3.917 -9.994 0.884 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.191 -11.275 0.414 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.009 -8.938 -0.009 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.549 -11.488 -0.905 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.363 -9.141 -1.325 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.632 -10.417 -1.770 1.00 0.00 C ATOM 1028 OH TYR A 67 4.986 -10.625 -3.084 1.00 0.00 O ATOM 0 H TYR A 67 2.369 -11.903 2.157 1.00 0.00 H new ATOM 0 HA TYR A 67 4.843 -11.214 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.455 -9.513 2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.044 -8.847 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.123 -12.115 1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.799 -7.936 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.762 -12.487 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.429 -8.304 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 67 5.579 -9.904 -3.381 1.00 0.00 H new ATOM 1038 N ASP A 68 4.295 -9.335 5.083 1.00 0.00 N ATOM 1039 CA ASP A 68 4.168 -8.760 6.414 1.00 0.00 C ATOM 1040 C ASP A 68 3.169 -7.610 6.391 1.00 0.00 C ATOM 1041 O ASP A 68 3.553 -6.444 6.323 1.00 0.00 O ATOM 1042 CB ASP A 68 5.527 -8.271 6.918 1.00 0.00 C ATOM 1043 CG ASP A 68 6.471 -9.413 7.235 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.299 -10.047 8.297 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.384 -9.673 6.423 1.00 0.00 O ATOM 0 H ASP A 68 4.954 -8.850 4.474 1.00 0.00 H new ATOM 0 HA ASP A 68 3.805 -9.530 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.980 -7.627 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.383 -7.664 7.812 1.00 0.00 H new ATOM 1050 N LYS A 69 1.881 -7.954 6.432 1.00 0.00 N ATOM 1051 CA LYS A 69 0.804 -6.963 6.400 1.00 0.00 C ATOM 1052 C LYS A 69 1.150 -5.716 7.211 1.00 0.00 C ATOM 1053 O LYS A 69 1.132 -4.601 6.690 1.00 0.00 O ATOM 1054 CB LYS A 69 -0.493 -7.580 6.927 1.00 0.00 C ATOM 1055 CG LYS A 69 -1.117 -8.587 5.976 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.178 -9.427 6.670 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.578 -9.032 6.230 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.594 -10.044 6.633 1.00 0.00 N ATOM 0 H LYS A 69 1.556 -8.919 6.488 1.00 0.00 H new ATOM 0 HA LYS A 69 0.672 -6.658 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.292 -8.069 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.211 -6.784 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.562 -8.063 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.341 -9.239 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.010 -10.481 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.088 -9.309 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.836 -8.066 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.597 -8.910 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.535 -9.737 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.363 -10.960 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.594 -10.142 7.668 1.00 0.00 H new ATOM 1072 N LYS A 70 1.462 -5.911 8.486 1.00 0.00 N ATOM 1073 CA LYS A 70 1.806 -4.798 9.362 1.00 0.00 C ATOM 1074 C LYS A 70 3.070 -4.092 8.881 1.00 0.00 C ATOM 1075 O LYS A 70 3.108 -2.867 8.794 1.00 0.00 O ATOM 1076 CB LYS A 70 2.000 -5.289 10.796 1.00 0.00 C ATOM 1077 CG LYS A 70 0.697 -5.464 11.562 1.00 0.00 C ATOM 1078 CD LYS A 70 0.463 -4.321 12.537 1.00 0.00 C ATOM 1079 CE LYS A 70 0.808 -4.721 13.963 1.00 0.00 C ATOM 1080 NZ LYS A 70 -0.316 -4.455 14.903 1.00 0.00 N ATOM 0 H LYS A 70 1.484 -6.826 8.936 1.00 0.00 H new ATOM 0 HA LYS A 70 0.982 -4.085 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.531 -6.241 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.634 -4.582 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.134 -5.519 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.718 -6.408 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.067 -3.462 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.580 -4.009 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.062 -5.781 13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.692 -4.173 14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.040 -4.742 15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.542 -3.440 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.152 -4.998 14.607 1.00 0.00 H new ATOM 1094 N LYS A 71 4.103 -4.872 8.577 1.00 0.00 N ATOM 1095 CA LYS A 71 5.371 -4.317 8.115 1.00 0.00 C ATOM 1096 C LYS A 71 5.202 -3.547 6.807 1.00 0.00 C ATOM 1097 O LYS A 71 5.826 -2.508 6.610 1.00 0.00 O ATOM 1098 CB LYS A 71 6.407 -5.427 7.940 1.00 0.00 C ATOM 1099 CG LYS A 71 7.844 -4.940 8.048 1.00 0.00 C ATOM 1100 CD LYS A 71 8.715 -5.927 8.811 1.00 0.00 C ATOM 1101 CE LYS A 71 9.735 -6.591 7.901 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.378 -7.767 8.552 1.00 0.00 N ATOM 0 H LYS A 71 4.087 -5.890 8.642 1.00 0.00 H new ATOM 0 HA LYS A 71 5.721 -3.618 8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.235 -6.196 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.263 -5.897 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.254 -4.789 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.864 -3.973 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.230 -5.409 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.086 -6.689 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.247 -6.908 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.500 -5.866 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.067 -8.192 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.865 -7.461 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.651 -8.470 8.794 1.00 0.00 H new ATOM 1116 N LEU A 72 4.360 -4.060 5.915 1.00 0.00 N ATOM 1117 CA LEU A 72 4.123 -3.406 4.630 1.00 0.00 C ATOM 1118 C LEU A 72 3.641 -1.975 4.839 1.00 0.00 C ATOM 1119 O LEU A 72 4.231 -1.028 4.320 1.00 0.00 O ATOM 1120 CB LEU A 72 3.103 -4.201 3.803 1.00 0.00 C ATOM 1121 CG LEU A 72 3.674 -5.378 2.992 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.100 -5.699 3.424 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.786 -6.607 3.138 1.00 0.00 C ATOM 0 H LEU A 72 3.833 -4.922 6.056 1.00 0.00 H new ATOM 0 HA LEU A 72 5.064 -3.375 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.337 -4.585 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.608 -3.516 3.115 1.00 0.00 H new ATOM 0 HG LEU A 72 3.695 -5.085 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.479 -6.534 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.733 -4.826 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.109 -5.967 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.205 -7.429 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.732 -6.894 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.785 -6.378 2.772 1.00 0.00 H new ATOM 1135 N VAL A 73 2.575 -1.824 5.615 1.00 0.00 N ATOM 1136 CA VAL A 73 2.026 -0.508 5.907 1.00 0.00 C ATOM 1137 C VAL A 73 2.925 0.232 6.894 1.00 0.00 C ATOM 1138 O VAL A 73 3.228 1.410 6.709 1.00 0.00 O ATOM 1139 CB VAL A 73 0.590 -0.617 6.476 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.255 0.561 7.383 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.420 -0.726 5.345 1.00 0.00 C ATOM 0 H VAL A 73 2.074 -2.597 6.053 1.00 0.00 H new ATOM 0 HA VAL A 73 1.982 0.054 4.974 1.00 0.00 H new ATOM 0 HB VAL A 73 0.539 -1.522 7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.760 0.450 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.955 0.587 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.331 1.489 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.425 -0.802 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.355 0.159 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.205 -1.614 4.750 1.00 0.00 H new ATOM 1151 N LYS A 74 3.359 -0.473 7.935 1.00 0.00 N ATOM 1152 CA LYS A 74 4.236 0.117 8.941 1.00 0.00 C ATOM 1153 C LYS A 74 5.484 0.684 8.279 1.00 0.00 C ATOM 1154 O LYS A 74 5.907 1.802 8.574 1.00 0.00 O ATOM 1155 CB LYS A 74 4.630 -0.925 9.990 1.00 0.00 C ATOM 1156 CG LYS A 74 3.513 -1.259 10.966 1.00 0.00 C ATOM 1157 CD LYS A 74 3.471 -0.271 12.120 1.00 0.00 C ATOM 1158 CE LYS A 74 2.955 -0.924 13.393 1.00 0.00 C ATOM 1159 NZ LYS A 74 3.334 -0.149 14.607 1.00 0.00 N ATOM 0 H LYS A 74 3.119 -1.450 8.104 1.00 0.00 H new ATOM 0 HA LYS A 74 3.697 0.924 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.943 -1.838 9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.491 -0.558 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.557 -1.251 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.656 -2.268 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.470 0.130 12.294 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.831 0.571 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.870 -1.011 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.353 -1.936 13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.964 -0.627 15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.370 -0.087 14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.933 0.809 14.547 1.00 0.00 H new ATOM 1173 N ALA A 75 6.058 -0.093 7.368 1.00 0.00 N ATOM 1174 CA ALA A 75 7.247 0.332 6.645 1.00 0.00 C ATOM 1175 C ALA A 75 6.914 1.504 5.734 1.00 0.00 C ATOM 1176 O ALA A 75 7.632 2.504 5.708 1.00 0.00 O ATOM 1177 CB ALA A 75 7.826 -0.823 5.840 1.00 0.00 C ATOM 0 H ALA A 75 5.718 -1.020 7.114 1.00 0.00 H new ATOM 0 HA ALA A 75 7.998 0.653 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.714 -0.485 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.095 -1.637 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.084 -1.175 5.123 1.00 0.00 H new ATOM 1183 N PHE A 76 5.815 1.381 4.989 1.00 0.00 N ATOM 1184 CA PHE A 76 5.391 2.446 4.086 1.00 0.00 C ATOM 1185 C PHE A 76 5.381 3.793 4.804 1.00 0.00 C ATOM 1186 O PHE A 76 6.028 4.746 4.373 1.00 0.00 O ATOM 1187 CB PHE A 76 4.002 2.160 3.510 1.00 0.00 C ATOM 1188 CG PHE A 76 3.733 2.924 2.245 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.222 2.466 1.032 1.00 0.00 C ATOM 1190 CD2 PHE A 76 3.011 4.108 2.269 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.998 3.173 -0.132 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.781 4.817 1.106 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.277 4.349 -0.096 1.00 0.00 C ATOM 0 H PHE A 76 5.208 0.561 4.994 1.00 0.00 H new ATOM 0 HA PHE A 76 6.108 2.485 3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.907 1.092 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.245 2.415 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.785 1.545 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.625 4.479 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.387 2.806 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.214 5.736 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.101 4.903 -1.006 1.00 0.00 H new ATOM 1203 N LYS A 77 4.641 3.857 5.906 1.00 0.00 N ATOM 1204 CA LYS A 77 4.541 5.081 6.695 1.00 0.00 C ATOM 1205 C LYS A 77 5.910 5.530 7.206 1.00 0.00 C ATOM 1206 O LYS A 77 6.088 6.682 7.590 1.00 0.00 O ATOM 1207 CB LYS A 77 3.601 4.869 7.881 1.00 0.00 C ATOM 1208 CG LYS A 77 2.210 4.405 7.486 1.00 0.00 C ATOM 1209 CD LYS A 77 1.216 4.590 8.624 1.00 0.00 C ATOM 1210 CE LYS A 77 0.758 3.255 9.189 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.215 3.392 10.568 1.00 0.00 N ATOM 0 H LYS A 77 4.100 3.074 6.274 1.00 0.00 H new ATOM 0 HA LYS A 77 4.143 5.860 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.041 4.134 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.518 5.802 8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.873 4.964 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.244 3.354 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.674 5.183 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.352 5.150 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.006 2.829 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.596 2.558 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.086 2.460 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.951 3.775 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.600 4.037 10.557 1.00 0.00 H new ATOM 1225 N LYS A 78 6.872 4.614 7.220 1.00 0.00 N ATOM 1226 CA LYS A 78 8.214 4.931 7.695 1.00 0.00 C ATOM 1227 C LYS A 78 9.118 5.388 6.554 1.00 0.00 C ATOM 1228 O LYS A 78 10.155 6.011 6.785 1.00 0.00 O ATOM 1229 CB LYS A 78 8.832 3.713 8.382 1.00 0.00 C ATOM 1230 CG LYS A 78 9.964 4.061 9.335 1.00 0.00 C ATOM 1231 CD LYS A 78 11.322 3.763 8.721 1.00 0.00 C ATOM 1232 CE LYS A 78 11.789 2.357 9.060 1.00 0.00 C ATOM 1233 NZ LYS A 78 12.676 2.339 10.256 1.00 0.00 N ATOM 0 H LYS A 78 6.749 3.650 6.909 1.00 0.00 H new ATOM 0 HA LYS A 78 8.126 5.749 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.054 3.184 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.206 3.028 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.907 5.117 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.850 3.495 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.266 3.878 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.053 4.487 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.923 1.721 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.321 1.936 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.972 1.362 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.515 2.926 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.160 2.717 11.076 1.00 0.00 H new ATOM 1247 N LYS A 79 8.731 5.066 5.325 1.00 0.00 N ATOM 1248 CA LYS A 79 9.524 5.434 4.155 1.00 0.00 C ATOM 1249 C LYS A 79 9.037 6.737 3.522 1.00 0.00 C ATOM 1250 O LYS A 79 9.840 7.528 3.030 1.00 0.00 O ATOM 1251 CB LYS A 79 9.486 4.310 3.119 1.00 0.00 C ATOM 1252 CG LYS A 79 10.740 4.230 2.263 1.00 0.00 C ATOM 1253 CD LYS A 79 10.428 4.451 0.790 1.00 0.00 C ATOM 1254 CE LYS A 79 11.677 4.816 0.005 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.223 6.139 0.413 1.00 0.00 N ATOM 0 H LYS A 79 7.876 4.552 5.112 1.00 0.00 H new ATOM 0 HA LYS A 79 10.549 5.589 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.345 3.359 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.622 4.454 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.459 4.977 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.209 3.255 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.985 3.547 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.688 5.245 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.436 4.048 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.445 4.832 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.814 6.522 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.438 6.794 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.799 6.027 1.272 1.00 0.00 H new ATOM 1269 N PHE A 80 7.724 6.952 3.520 1.00 0.00 N ATOM 1270 CA PHE A 80 7.156 8.159 2.921 1.00 0.00 C ATOM 1271 C PHE A 80 6.388 9.001 3.939 1.00 0.00 C ATOM 1272 O PHE A 80 6.057 10.156 3.666 1.00 0.00 O ATOM 1273 CB PHE A 80 6.226 7.792 1.763 1.00 0.00 C ATOM 1274 CG PHE A 80 6.717 6.644 0.930 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.403 5.339 1.273 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.490 6.870 -0.197 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.853 4.280 0.509 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.942 5.814 -0.966 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.623 4.518 -0.613 1.00 0.00 C ATOM 0 H PHE A 80 7.038 6.313 3.922 1.00 0.00 H new ATOM 0 HA PHE A 80 7.991 8.754 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.243 7.543 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 80 6.098 8.664 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.799 5.148 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.742 7.882 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.603 3.267 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.544 6.003 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.975 3.692 -1.213 1.00 0.00 H new ATOM 1289 N ALA A 81 6.092 8.426 5.102 1.00 0.00 N ATOM 1290 CA ALA A 81 5.347 9.143 6.135 1.00 0.00 C ATOM 1291 C ALA A 81 3.876 9.256 5.754 1.00 0.00 C ATOM 1292 O ALA A 81 3.185 10.189 6.164 1.00 0.00 O ATOM 1293 CB ALA A 81 5.944 10.525 6.369 1.00 0.00 C ATOM 0 H ALA A 81 6.354 7.473 5.352 1.00 0.00 H new ATOM 0 HA ALA A 81 5.421 8.576 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.374 11.041 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.981 10.424 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.904 11.100 5.444 1.00 0.00 H new ATOM 1299 N CYS A 82 3.405 8.295 4.966 1.00 0.00 N ATOM 1300 CA CYS A 82 2.017 8.276 4.523 1.00 0.00 C ATOM 1301 C CYS A 82 1.147 7.503 5.508 1.00 0.00 C ATOM 1302 O CYS A 82 1.597 7.145 6.597 1.00 0.00 O ATOM 1303 CB CYS A 82 1.917 7.652 3.130 1.00 0.00 C ATOM 1304 SG CYS A 82 2.817 8.558 1.851 1.00 0.00 S ATOM 0 H CYS A 82 3.967 7.517 4.621 1.00 0.00 H new ATOM 0 HA CYS A 82 1.656 9.304 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.297 6.631 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.867 7.590 2.846 1.00 0.00 H new ATOM 0 HG CYS A 82 1.979 9.000 0.961 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.099 7.248 5.123 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.025 6.516 5.975 1.00 0.00 C ATOM 1312 C ASN A 83 -1.420 5.192 5.334 1.00 0.00 C ATOM 1313 O ASN A 83 -2.087 5.163 4.302 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.269 7.359 6.260 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.300 7.869 7.685 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.352 7.903 8.323 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -1.141 8.270 8.193 1.00 0.00 N ATOM 0 H ASN A 83 -0.489 7.538 4.226 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.522 6.303 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.298 8.204 5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.161 6.763 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.098 8.624 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.293 8.224 7.628 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.002 4.097 5.956 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.320 2.783 5.435 1.00 0.00 C ATOM 1326 C GLY A 84 -2.406 2.093 6.233 1.00 0.00 C ATOM 1327 O GLY A 84 -2.428 2.172 7.462 1.00 0.00 O ATOM 0 H GLY A 84 -0.448 4.096 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.638 2.874 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.421 2.166 5.440 1.00 0.00 H new ATOM 1331 N THR A 85 -3.312 1.418 5.536 1.00 0.00 N ATOM 1332 CA THR A 85 -4.407 0.715 6.193 1.00 0.00 C ATOM 1333 C THR A 85 -4.834 -0.502 5.385 1.00 0.00 C ATOM 1334 O THR A 85 -5.203 -0.387 4.219 1.00 0.00 O ATOM 1335 CB THR A 85 -5.594 1.653 6.391 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.104 2.092 5.145 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.244 2.876 7.204 1.00 0.00 C ATOM 0 H THR A 85 -3.310 1.343 4.519 1.00 0.00 H new ATOM 0 HA THR A 85 -4.056 0.375 7.167 1.00 0.00 H new ATOM 0 HB THR A 85 -6.341 1.072 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.369 2.178 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.127 3.506 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.894 2.570 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.458 3.437 6.698 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.779 -1.665 6.017 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.158 -2.907 5.358 1.00 0.00 C ATOM 1347 C VAL A 86 -6.674 -3.066 5.306 1.00 0.00 C ATOM 1348 O VAL A 86 -7.383 -2.664 6.229 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.542 -4.130 6.067 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.045 -4.229 7.499 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.846 -5.407 5.297 1.00 0.00 C ATOM 0 H VAL A 86 -4.476 -1.775 6.985 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.771 -2.856 4.340 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.460 -4.001 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.599 -5.098 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.767 -3.328 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.130 -4.332 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.402 -6.258 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.925 -5.544 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.428 -5.335 4.293 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.166 -3.656 4.220 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.597 -3.870 4.044 1.00 0.00 C ATOM 1363 C ILE A 87 -8.869 -5.015 3.075 1.00 0.00 C ATOM 1364 O ILE A 87 -8.022 -5.358 2.250 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.299 -2.602 3.513 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.793 -2.257 2.109 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.083 -1.433 4.462 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.858 -2.362 1.040 1.00 0.00 C ATOM 0 H ILE A 87 -6.592 -3.995 3.448 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.996 -4.119 5.027 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.369 -2.801 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.394 -1.243 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.968 -2.923 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.585 -0.549 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.493 -1.679 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.016 -1.232 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.429 -2.104 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.241 -3.382 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.673 -1.676 1.270 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.061 -5.592 3.169 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.450 -6.684 2.288 1.00 0.00 C ATOM 1382 C GLU A 88 -11.446 -6.190 1.247 1.00 0.00 C ATOM 1383 O GLU A 88 -12.650 -6.424 1.359 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.054 -7.834 3.090 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.771 -9.197 2.486 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.035 -10.333 3.454 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.086 -10.306 4.129 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.192 -11.251 3.537 1.00 0.00 O ATOM 0 H GLU A 88 -10.774 -5.321 3.846 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.558 -7.050 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.661 -7.805 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.132 -7.692 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.388 -9.331 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.731 -9.237 2.161 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.934 -5.494 0.241 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.765 -4.947 -0.822 1.00 0.00 C ATOM 1397 C HIS A 89 -12.594 -6.038 -1.499 1.00 0.00 C ATOM 1398 O HIS A 89 -12.068 -7.086 -1.870 1.00 0.00 O ATOM 1399 CB HIS A 89 -10.887 -4.244 -1.855 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.527 -3.036 -2.461 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -11.978 -2.999 -3.762 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.796 -1.817 -1.935 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.499 -1.812 -4.013 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.401 -1.075 -2.921 1.00 0.00 N ATOM 0 H HIS A 89 -9.939 -5.294 0.139 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.454 -4.229 -0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.949 -3.950 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.637 -4.949 -2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.576 -1.490 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.932 -1.497 -4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.722 -0.112 -2.825 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.906 -5.802 -1.677 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.800 -6.767 -2.320 1.00 0.00 C ATOM 1415 C PRO A 90 -14.646 -6.771 -3.838 1.00 0.00 C ATOM 1416 O PRO A 90 -15.120 -7.682 -4.517 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.188 -6.270 -1.924 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.027 -4.797 -1.773 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.623 -4.575 -1.272 1.00 0.00 C ATOM 0 HA PRO A 90 -14.594 -7.792 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.929 -6.512 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.524 -6.730 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.185 -4.289 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.758 -4.396 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.176 -3.685 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.601 -4.437 -0.191 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.977 -5.748 -4.364 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.757 -5.634 -5.800 1.00 0.00 C ATOM 1429 C GLU A 91 -12.530 -6.435 -6.226 1.00 0.00 C ATOM 1430 O GLU A 91 -12.403 -6.825 -7.387 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.586 -4.166 -6.191 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.621 -3.674 -7.187 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.042 -3.859 -6.691 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.565 -4.989 -6.798 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.632 -2.875 -6.197 1.00 0.00 O ATOM 0 H GLU A 91 -13.578 -4.986 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.628 -6.041 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.639 -3.551 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.592 -4.026 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.447 -2.618 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.496 -4.208 -8.129 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.625 -6.670 -5.281 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.405 -7.417 -5.559 1.00 0.00 C ATOM 1444 C TYR A 92 -10.220 -8.555 -4.563 1.00 0.00 C ATOM 1445 O TYR A 92 -10.073 -9.714 -4.949 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.196 -6.479 -5.516 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.508 -5.078 -5.991 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.078 -4.862 -7.238 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.242 -3.975 -5.190 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.374 -3.587 -7.676 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.537 -2.695 -5.621 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.102 -2.507 -6.864 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.396 -1.234 -7.296 1.00 0.00 O ATOM 0 H TYR A 92 -11.714 -6.353 -4.316 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.490 -7.849 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.817 -6.433 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.400 -6.895 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.294 -5.706 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.798 -4.119 -4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.816 -3.436 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.326 -1.847 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.144 -0.587 -6.604 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.234 -8.217 -3.279 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.071 -9.224 -2.247 1.00 0.00 C ATOM 1465 C GLY A 93 -8.688 -9.211 -1.628 1.00 0.00 C ATOM 1466 O GLY A 93 -7.714 -9.629 -2.254 1.00 0.00 O ATOM 0 H GLY A 93 -10.355 -7.265 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.815 -9.062 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.265 -10.209 -2.673 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.603 -8.736 -0.389 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.334 -8.675 0.326 1.00 0.00 C ATOM 1472 C GLU A 94 -6.346 -7.740 -0.369 1.00 0.00 C ATOM 1473 O GLU A 94 -5.547 -8.171 -1.201 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.726 -10.074 0.449 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.739 -10.209 1.596 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.320 -10.954 2.782 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.277 -10.437 3.396 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.817 -12.053 3.097 1.00 0.00 O ATOM 0 H GLU A 94 -9.401 -8.387 0.142 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.534 -8.279 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.528 -10.799 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.222 -10.326 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.849 -10.731 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.421 -9.216 1.916 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.401 -6.460 -0.014 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.509 -5.462 -0.591 1.00 0.00 C ATOM 1487 C VAL A 95 -5.161 -4.396 0.442 1.00 0.00 C ATOM 1488 O VAL A 95 -5.968 -4.087 1.317 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.140 -4.784 -1.820 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.271 -5.771 -2.969 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.493 -4.187 -1.466 1.00 0.00 C ATOM 0 H VAL A 95 -7.057 -6.089 0.673 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.603 -5.981 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.483 -3.975 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.719 -5.272 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.284 -6.146 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.904 -6.604 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.923 -3.712 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.159 -4.976 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.368 -3.444 -0.678 1.00 0.00 H new ATOM 1501 N ILE A 96 -3.960 -3.835 0.342 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.533 -2.806 1.283 1.00 0.00 C ATOM 1503 C ILE A 96 -4.030 -1.439 0.845 1.00 0.00 C ATOM 1504 O ILE A 96 -3.883 -1.051 -0.312 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.992 -2.801 1.473 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.638 -3.094 2.935 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.371 -1.477 1.044 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -2.414 -4.247 3.534 1.00 0.00 C ATOM 0 H ILE A 96 -3.272 -4.072 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.977 -3.041 2.250 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.581 -3.583 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.572 -3.311 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.820 -2.199 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.292 -1.516 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.585 -1.299 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.791 -0.668 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.108 -4.393 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.481 -4.025 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.213 -5.155 2.965 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.637 -0.725 1.782 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.186 0.596 1.502 1.00 0.00 C ATOM 1522 C GLN A 97 -4.275 1.713 2.004 1.00 0.00 C ATOM 1523 O GLN A 97 -4.200 1.976 3.203 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.574 0.739 2.135 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.659 1.124 1.141 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.050 1.097 1.749 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -10.010 0.672 1.105 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.167 1.551 2.991 1.00 0.00 N ATOM 0 H GLN A 97 -4.762 -1.038 2.745 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.264 0.690 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.846 -0.203 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.530 1.492 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.455 2.123 0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.626 0.442 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.345 1.894 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.079 1.557 3.448 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.608 2.384 1.072 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.726 3.494 1.407 1.00 0.00 C ATOM 1539 C LEU A 98 -3.518 4.796 1.400 1.00 0.00 C ATOM 1540 O LEU A 98 -4.636 4.842 0.893 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.571 3.577 0.407 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.246 2.978 0.883 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.459 1.613 1.523 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.724 2.871 -0.282 1.00 0.00 C ATOM 0 H LEU A 98 -3.662 2.177 0.075 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.311 3.330 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.870 3.071 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.407 4.624 0.154 1.00 0.00 H new ATOM 0 HG LEU A 98 0.177 3.640 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.500 1.212 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.124 1.713 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.906 0.936 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.665 2.444 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.297 2.230 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.907 3.863 -0.695 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.942 5.848 1.964 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.613 7.142 2.015 1.00 0.00 C ATOM 1558 C GLN A 99 -3.014 8.109 0.999 1.00 0.00 C ATOM 1559 O GLN A 99 -1.799 8.155 0.812 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.515 7.734 3.421 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.725 8.559 3.821 1.00 0.00 C ATOM 1562 CD GLN A 99 -4.739 9.928 3.169 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -3.781 10.323 2.505 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.830 10.662 3.359 1.00 0.00 N ATOM 0 H GLN A 99 -2.016 5.833 2.391 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.663 6.988 1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.385 6.924 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.624 8.359 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.633 8.021 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.738 8.677 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.601 10.295 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.897 11.593 2.947 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.877 8.879 0.344 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.416 9.834 -0.647 1.00 0.00 C ATOM 1575 C GLY A 100 -2.985 9.162 -1.934 1.00 0.00 C ATOM 1576 O GLY A 100 -3.054 7.938 -2.055 1.00 0.00 O ATOM 0 H GLY A 100 -4.887 8.859 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.213 10.546 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.581 10.403 -0.239 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.533 9.957 -2.897 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.088 9.420 -4.176 1.00 0.00 C ATOM 1582 C ASP A 101 -0.678 8.851 -4.058 1.00 0.00 C ATOM 1583 O ASP A 101 0.309 9.552 -4.286 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.131 10.501 -5.258 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.299 11.716 -4.895 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.747 12.508 -4.039 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.201 11.875 -5.467 1.00 0.00 O ATOM 0 H ASP A 101 -2.465 10.972 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.766 8.615 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.770 10.085 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.164 10.807 -5.421 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.595 7.575 -3.699 1.00 0.00 N ATOM 1593 CA GLN A 102 0.684 6.899 -3.545 1.00 0.00 C ATOM 1594 C GLN A 102 0.952 5.965 -4.721 1.00 0.00 C ATOM 1595 O GLN A 102 1.938 5.230 -4.725 1.00 0.00 O ATOM 1596 CB GLN A 102 0.702 6.104 -2.237 1.00 0.00 C ATOM 1597 CG GLN A 102 1.325 6.849 -1.064 1.00 0.00 C ATOM 1598 CD GLN A 102 0.967 8.323 -1.037 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.826 9.179 -0.830 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.308 8.623 -1.246 1.00 0.00 N ATOM 0 H GLN A 102 -1.406 6.986 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 102 1.468 7.655 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.320 5.830 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.251 5.176 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.000 6.385 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.409 6.745 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.986 7.880 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.610 9.597 -1.239 1.00 0.00 H new ATOM 1609 N ARG A 103 0.071 5.993 -5.719 1.00 0.00 N ATOM 1610 CA ARG A 103 0.219 5.143 -6.896 1.00 0.00 C ATOM 1611 C ARG A 103 1.642 5.211 -7.450 1.00 0.00 C ATOM 1612 O ARG A 103 2.125 4.260 -8.065 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.780 5.555 -7.977 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.599 6.986 -8.458 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.073 7.157 -9.894 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.949 8.318 -10.046 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.509 9.572 -10.121 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.210 9.833 -10.064 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.373 10.568 -10.255 1.00 0.00 N ATOM 0 H ARG A 103 -0.752 6.595 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 103 0.017 4.115 -6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.682 4.880 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.792 5.436 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.154 7.662 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.452 7.265 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.210 7.266 -10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.603 6.259 -10.210 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.955 8.158 -10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.459 9.070 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.120 10.797 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.373 10.373 -10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.038 11.530 -10.313 1.00 0.00 H new ATOM 1633 N LYS A 104 2.306 6.342 -7.229 1.00 0.00 N ATOM 1634 CA LYS A 104 3.670 6.533 -7.706 1.00 0.00 C ATOM 1635 C LYS A 104 4.690 6.153 -6.635 1.00 0.00 C ATOM 1636 O LYS A 104 5.837 5.831 -6.947 1.00 0.00 O ATOM 1637 CB LYS A 104 3.883 7.987 -8.134 1.00 0.00 C ATOM 1638 CG LYS A 104 3.270 8.320 -9.484 1.00 0.00 C ATOM 1639 CD LYS A 104 2.882 9.787 -9.573 1.00 0.00 C ATOM 1640 CE LYS A 104 4.101 10.692 -9.498 1.00 0.00 C ATOM 1641 NZ LYS A 104 4.619 11.038 -10.850 1.00 0.00 N ATOM 0 H LYS A 104 1.921 7.139 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 104 3.818 5.879 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.456 8.646 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.953 8.194 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.980 8.082 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.389 7.699 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.351 9.968 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.195 10.032 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.842 11.606 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.885 10.198 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.450 11.656 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.890 10.168 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.880 11.532 -11.389 1.00 0.00 H new ATOM 1655 N ASN A 105 4.271 6.194 -5.372 1.00 0.00 N ATOM 1656 CA ASN A 105 5.160 5.854 -4.263 1.00 0.00 C ATOM 1657 C ASN A 105 5.095 4.365 -3.942 1.00 0.00 C ATOM 1658 O ASN A 105 6.096 3.761 -3.558 1.00 0.00 O ATOM 1659 CB ASN A 105 4.796 6.671 -3.022 1.00 0.00 C ATOM 1660 CG ASN A 105 5.377 8.070 -3.058 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.590 8.254 -2.955 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.512 9.067 -3.204 1.00 0.00 N ATOM 0 H ASN A 105 3.326 6.458 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 105 6.179 6.095 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.711 6.734 -2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.156 6.154 -2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.845 10.031 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.515 8.869 -3.286 1.00 0.00 H new ATOM 1669 N ILE A 106 3.914 3.775 -4.100 1.00 0.00 N ATOM 1670 CA ILE A 106 3.733 2.357 -3.821 1.00 0.00 C ATOM 1671 C ILE A 106 4.550 1.502 -4.784 1.00 0.00 C ATOM 1672 O ILE A 106 5.323 0.645 -4.356 1.00 0.00 O ATOM 1673 CB ILE A 106 2.250 1.946 -3.878 1.00 0.00 C ATOM 1674 CG1 ILE A 106 2.094 0.486 -3.454 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.678 2.168 -5.269 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.481 0.233 -2.011 1.00 0.00 C ATOM 0 H ILE A 106 3.072 4.255 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 106 4.091 2.185 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 106 1.690 2.573 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.058 0.181 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.707 -0.140 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.630 1.870 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.759 3.223 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.235 1.570 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.346 -0.823 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.525 0.507 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.851 0.833 -1.355 1.00 0.00 H new ATOM 1688 N CYS A 107 4.405 1.753 -6.084 1.00 0.00 N ATOM 1689 CA CYS A 107 5.170 1.012 -7.083 1.00 0.00 C ATOM 1690 C CYS A 107 6.652 1.134 -6.759 1.00 0.00 C ATOM 1691 O CYS A 107 7.433 0.199 -6.945 1.00 0.00 O ATOM 1692 CB CYS A 107 4.890 1.558 -8.485 1.00 0.00 C ATOM 1693 SG CYS A 107 4.940 3.361 -8.601 1.00 0.00 S ATOM 0 H CYS A 107 3.772 2.456 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 107 4.874 -0.037 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.620 1.140 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.909 1.211 -8.809 1.00 0.00 H new ATOM 0 HG CYS A 107 3.728 3.831 -8.573 1.00 0.00 H new ATOM 1699 N GLN A 108 7.013 2.302 -6.243 1.00 0.00 N ATOM 1700 CA GLN A 108 8.380 2.593 -5.847 1.00 0.00 C ATOM 1701 C GLN A 108 8.710 1.842 -4.559 1.00 0.00 C ATOM 1702 O GLN A 108 9.835 1.385 -4.363 1.00 0.00 O ATOM 1703 CB GLN A 108 8.543 4.113 -5.676 1.00 0.00 C ATOM 1704 CG GLN A 108 9.589 4.546 -4.659 1.00 0.00 C ATOM 1705 CD GLN A 108 10.911 4.915 -5.304 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.243 6.094 -5.433 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.672 3.907 -5.713 1.00 0.00 N ATOM 0 H GLN A 108 6.364 3.073 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 108 9.077 2.259 -6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.800 4.545 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.581 4.534 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.212 5.400 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.750 3.740 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.357 2.945 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.572 4.094 -6.155 1.00 0.00 H new ATOM 1716 N PHE A 109 7.710 1.711 -3.691 1.00 0.00 N ATOM 1717 CA PHE A 109 7.875 1.009 -2.426 1.00 0.00 C ATOM 1718 C PHE A 109 7.997 -0.490 -2.657 1.00 0.00 C ATOM 1719 O PHE A 109 8.886 -1.146 -2.113 1.00 0.00 O ATOM 1720 CB PHE A 109 6.685 1.289 -1.508 1.00 0.00 C ATOM 1721 CG PHE A 109 6.789 0.619 -0.170 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.711 1.060 0.765 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.968 -0.450 0.153 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.811 0.448 1.999 1.00 0.00 C ATOM 1725 CE2 PHE A 109 6.064 -1.066 1.387 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.987 -0.615 2.310 1.00 0.00 C ATOM 0 H PHE A 109 6.773 2.085 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 109 8.789 1.369 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.596 2.365 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.771 0.958 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.358 1.891 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.246 -0.806 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.533 0.801 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.419 -1.898 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.064 -1.094 3.275 1.00 0.00 H new ATOM 1736 N LEU A 110 7.093 -1.025 -3.469 1.00 0.00 N ATOM 1737 CA LEU A 110 7.084 -2.447 -3.781 1.00 0.00 C ATOM 1738 C LEU A 110 8.419 -2.878 -4.372 1.00 0.00 C ATOM 1739 O LEU A 110 8.840 -4.024 -4.215 1.00 0.00 O ATOM 1740 CB LEU A 110 5.949 -2.760 -4.760 1.00 0.00 C ATOM 1741 CG LEU A 110 4.593 -3.065 -4.117 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.307 -2.104 -2.972 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.487 -2.996 -5.157 1.00 0.00 C ATOM 0 H LEU A 110 6.353 -0.491 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 110 6.923 -3.003 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.830 -1.912 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.243 -3.614 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 110 4.628 -4.076 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.339 -2.341 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.084 -2.200 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.293 -1.082 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.529 -3.215 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.457 -1.997 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.680 -3.727 -5.942 1.00 0.00 H new ATOM 1755 N VAL A 111 9.084 -1.952 -5.053 1.00 0.00 N ATOM 1756 CA VAL A 111 10.373 -2.235 -5.668 1.00 0.00 C ATOM 1757 C VAL A 111 11.521 -1.888 -4.723 1.00 0.00 C ATOM 1758 O VAL A 111 12.596 -2.484 -4.793 1.00 0.00 O ATOM 1759 CB VAL A 111 10.543 -1.452 -6.984 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.868 -1.796 -7.649 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.380 -1.730 -7.923 1.00 0.00 C ATOM 0 H VAL A 111 8.751 -0.998 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 111 10.400 -3.303 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 111 10.548 -0.387 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.967 -1.232 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.689 -1.540 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.899 -2.863 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.517 -1.169 -8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.341 -2.796 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.448 -1.425 -7.448 1.00 0.00 H new ATOM 1771 N GLU A 112 11.287 -0.921 -3.840 1.00 0.00 N ATOM 1772 CA GLU A 112 12.304 -0.497 -2.883 1.00 0.00 C ATOM 1773 C GLU A 112 12.488 -1.538 -1.784 1.00 0.00 C ATOM 1774 O GLU A 112 13.614 -1.869 -1.412 1.00 0.00 O ATOM 1775 CB GLU A 112 11.921 0.848 -2.261 1.00 0.00 C ATOM 1776 CG GLU A 112 12.182 2.036 -3.170 1.00 0.00 C ATOM 1777 CD GLU A 112 13.381 2.854 -2.734 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.386 2.250 -2.303 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.316 4.098 -2.823 1.00 0.00 O ATOM 0 H GLU A 112 10.403 -0.417 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 112 13.246 -0.389 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.864 0.829 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.478 0.982 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.340 1.681 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.299 2.675 -3.189 1.00 0.00 H new ATOM 1786 N ILE A 113 11.375 -2.045 -1.265 1.00 0.00 N ATOM 1787 CA ILE A 113 11.411 -3.043 -0.204 1.00 0.00 C ATOM 1788 C ILE A 113 11.541 -4.456 -0.770 1.00 0.00 C ATOM 1789 O ILE A 113 12.008 -5.368 -0.088 1.00 0.00 O ATOM 1790 CB ILE A 113 10.147 -2.962 0.681 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.936 -3.567 -0.039 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.867 -1.517 1.068 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.656 -3.502 0.765 1.00 0.00 C ATOM 0 H ILE A 113 10.436 -1.780 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 113 12.288 -2.826 0.405 1.00 0.00 H new ATOM 0 HB ILE A 113 10.326 -3.540 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.788 -3.045 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.151 -4.608 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.974 -1.474 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.716 -1.118 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.710 -0.923 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.843 -3.948 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.785 -4.049 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.416 -2.461 0.984 1.00 0.00 H new ATOM 1805 N GLY A 114 11.109 -4.632 -2.015 1.00 0.00 N ATOM 1806 CA GLY A 114 11.171 -5.939 -2.642 1.00 0.00 C ATOM 1807 C GLY A 114 9.864 -6.690 -2.499 1.00 0.00 C ATOM 1808 O GLY A 114 9.849 -7.917 -2.395 1.00 0.00 O ATOM 0 H GLY A 114 10.718 -3.894 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.412 -5.825 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.976 -6.521 -2.193 1.00 0.00 H new ATOM 1812 N LEU A 115 8.765 -5.943 -2.489 1.00 0.00 N ATOM 1813 CA LEU A 115 7.436 -6.527 -2.352 1.00 0.00 C ATOM 1814 C LEU A 115 6.953 -7.091 -3.685 1.00 0.00 C ATOM 1815 O LEU A 115 6.824 -8.305 -3.846 1.00 0.00 O ATOM 1816 CB LEU A 115 6.452 -5.472 -1.837 1.00 0.00 C ATOM 1817 CG LEU A 115 5.373 -5.991 -0.884 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.993 -6.806 0.241 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.561 -4.835 -0.322 1.00 0.00 C ATOM 0 H LEU A 115 8.769 -4.927 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 115 7.490 -7.345 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.017 -4.691 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.963 -5.007 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 115 4.704 -6.643 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.207 -7.165 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.529 -7.657 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.687 -6.181 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.798 -5.221 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.220 -4.159 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.082 -4.295 -1.139 1.00 0.00 H new ATOM 1831 N ALA A 116 6.696 -6.203 -4.639 1.00 0.00 N ATOM 1832 CA ALA A 116 6.237 -6.611 -5.960 1.00 0.00 C ATOM 1833 C ALA A 116 7.415 -6.744 -6.921 1.00 0.00 C ATOM 1834 O ALA A 116 8.571 -6.772 -6.498 1.00 0.00 O ATOM 1835 CB ALA A 116 5.225 -5.613 -6.502 1.00 0.00 C ATOM 0 H ALA A 116 6.798 -5.195 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 116 5.754 -7.584 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.892 -5.932 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.369 -5.561 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.688 -4.629 -6.576 1.00 0.00 H new ATOM 1841 N LYS A 117 7.118 -6.814 -8.215 1.00 0.00 N ATOM 1842 CA LYS A 117 8.158 -6.931 -9.229 1.00 0.00 C ATOM 1843 C LYS A 117 7.972 -5.871 -10.310 1.00 0.00 C ATOM 1844 O LYS A 117 6.845 -5.511 -10.651 1.00 0.00 O ATOM 1845 CB LYS A 117 8.144 -8.328 -9.852 1.00 0.00 C ATOM 1846 CG LYS A 117 9.254 -9.234 -9.341 1.00 0.00 C ATOM 1847 CD LYS A 117 10.525 -9.076 -10.160 1.00 0.00 C ATOM 1848 CE LYS A 117 11.404 -7.960 -9.619 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.835 -8.366 -9.539 1.00 0.00 N ATOM 0 H LYS A 117 6.168 -6.792 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 117 9.124 -6.773 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.181 -8.797 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.232 -8.235 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.462 -9.002 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.923 -10.272 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.081 -10.013 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.266 -8.865 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.311 -7.083 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.053 -7.670 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.399 -7.576 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.928 -9.187 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.178 -8.618 -10.488 1.00 0.00 H new ATOM 1863 N ASP A 118 9.082 -5.370 -10.842 1.00 0.00 N ATOM 1864 CA ASP A 118 9.037 -4.346 -11.882 1.00 0.00 C ATOM 1865 C ASP A 118 8.127 -4.772 -13.031 1.00 0.00 C ATOM 1866 O ASP A 118 7.548 -3.935 -13.721 1.00 0.00 O ATOM 1867 CB ASP A 118 10.442 -4.053 -12.408 1.00 0.00 C ATOM 1868 CG ASP A 118 11.065 -5.249 -13.102 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.673 -6.089 -12.406 1.00 0.00 O ATOM 1870 OD2 ASP A 118 10.944 -5.346 -14.341 1.00 0.00 O ATOM 0 H ASP A 118 10.023 -5.655 -10.571 1.00 0.00 H new ATOM 0 HA ASP A 118 8.629 -3.437 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.398 -3.216 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.080 -3.745 -11.579 1.00 0.00 H new ATOM 1875 N ASP A 119 8.000 -6.081 -13.224 1.00 0.00 N ATOM 1876 CA ASP A 119 7.153 -6.618 -14.280 1.00 0.00 C ATOM 1877 C ASP A 119 5.693 -6.621 -13.844 1.00 0.00 C ATOM 1878 O ASP A 119 4.785 -6.561 -14.673 1.00 0.00 O ATOM 1879 CB ASP A 119 7.594 -8.036 -14.646 1.00 0.00 C ATOM 1880 CG ASP A 119 7.628 -8.958 -13.443 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.548 -9.425 -13.021 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.734 -9.214 -12.921 1.00 0.00 O ATOM 0 H ASP A 119 8.473 -6.789 -12.662 1.00 0.00 H new ATOM 0 HA ASP A 119 7.253 -5.980 -15.158 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.914 -8.444 -15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.584 -8.000 -15.101 1.00 0.00 H new ATOM 1887 N GLN A 120 5.473 -6.688 -12.534 1.00 0.00 N ATOM 1888 CA GLN A 120 4.125 -6.696 -11.984 1.00 0.00 C ATOM 1889 C GLN A 120 3.624 -5.277 -11.715 1.00 0.00 C ATOM 1890 O GLN A 120 2.476 -5.082 -11.319 1.00 0.00 O ATOM 1891 CB GLN A 120 4.084 -7.506 -10.688 1.00 0.00 C ATOM 1892 CG GLN A 120 4.686 -8.895 -10.812 1.00 0.00 C ATOM 1893 CD GLN A 120 4.419 -9.756 -9.590 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.205 -10.963 -9.702 1.00 0.00 O ATOM 1895 NE2 GLN A 120 4.430 -9.136 -8.414 1.00 0.00 N ATOM 0 H GLN A 120 6.214 -6.738 -11.834 1.00 0.00 H new ATOM 0 HA GLN A 120 3.471 -7.158 -12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.617 -6.958 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.048 -7.597 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.278 -9.387 -11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.762 -8.809 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.612 -8.133 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.257 -9.663 -7.558 1.00 0.00 H new ATOM 1904 N LEU A 121 4.491 -4.292 -11.928 1.00 0.00 N ATOM 1905 CA LEU A 121 4.135 -2.894 -11.703 1.00 0.00 C ATOM 1906 C LEU A 121 2.870 -2.519 -12.468 1.00 0.00 C ATOM 1907 O LEU A 121 2.935 -2.085 -13.618 1.00 0.00 O ATOM 1908 CB LEU A 121 5.285 -1.979 -12.123 1.00 0.00 C ATOM 1909 CG LEU A 121 6.448 -1.906 -11.132 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.647 -1.216 -11.767 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.020 -1.179 -9.865 1.00 0.00 C ATOM 0 H LEU A 121 5.446 -4.436 -12.256 1.00 0.00 H new ATOM 0 HA LEU A 121 3.944 -2.765 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.668 -2.320 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.893 -0.973 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 121 6.740 -2.922 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.465 -1.173 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.966 -1.776 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.370 -0.204 -12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.858 -1.135 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.703 -0.167 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.191 -1.714 -9.401 1.00 0.00 H new ATOM 1923 N LYS A 122 1.720 -2.684 -11.823 1.00 0.00 N ATOM 1924 CA LYS A 122 0.446 -2.358 -12.444 1.00 0.00 C ATOM 1925 C LYS A 122 -0.195 -1.155 -11.759 1.00 0.00 C ATOM 1926 O LYS A 122 -1.090 -1.305 -10.926 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.494 -3.561 -12.386 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.513 -4.369 -13.673 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.084 -3.568 -14.832 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.306 -3.813 -16.116 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.330 -2.627 -17.015 1.00 0.00 N ATOM 0 H LYS A 122 1.646 -3.042 -10.871 1.00 0.00 H new ATOM 0 HA LYS A 122 0.628 -2.103 -13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.194 -4.209 -11.562 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.504 -3.214 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.500 -4.689 -13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.106 -5.272 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.129 -3.838 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.060 -2.506 -14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.727 -4.063 -15.873 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.728 -4.672 -16.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.211 -2.835 -17.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.314 -2.403 -17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.096 -1.813 -16.527 1.00 0.00 H new ATOM 1945 N VAL A 123 0.276 0.038 -12.110 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.241 1.270 -11.525 1.00 0.00 C ATOM 1947 C VAL A 123 -1.372 1.853 -12.368 1.00 0.00 C ATOM 1948 O VAL A 123 -1.171 2.214 -13.526 1.00 0.00 O ATOM 1949 CB VAL A 123 0.873 2.326 -11.374 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.445 2.703 -12.732 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.349 3.555 -10.646 1.00 0.00 C ATOM 0 H VAL A 123 1.016 0.177 -12.798 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.628 1.014 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 123 1.677 1.894 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.229 3.449 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.863 1.817 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.654 3.114 -13.359 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.149 4.289 -10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.475 3.989 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.003 3.268 -9.655 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.563 1.940 -11.779 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.723 2.480 -12.483 1.00 0.00 C ATOM 1963 C HIS A 124 -4.341 3.650 -11.724 1.00 0.00 C ATOM 1964 O HIS A 124 -5.334 3.485 -11.015 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.773 1.389 -12.689 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.208 0.110 -13.218 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.367 -0.300 -14.523 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.479 -0.855 -12.607 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.764 -1.462 -14.694 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.217 -1.822 -13.548 1.00 0.00 N ATOM 0 H HIS A 124 -2.749 1.645 -10.821 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.381 2.843 -13.452 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.271 1.192 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.534 1.754 -13.379 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.872 0.214 -15.245 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.163 -0.863 -11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.725 -2.023 -15.616 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.756 4.832 -11.883 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.277 6.008 -11.211 1.00 0.00 C ATOM 1981 C GLY A 125 -5.691 6.335 -11.650 1.00 0.00 C ATOM 1982 O GLY A 125 -5.943 6.556 -12.834 1.00 0.00 O ATOM 0 H GLY A 125 -2.933 4.997 -12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.261 5.846 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.628 6.860 -11.416 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.617 6.361 -10.695 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.017 6.659 -10.990 1.00 0.00 C ATOM 1988 C PHE A 126 -8.146 7.887 -11.890 1.00 0.00 C ATOM 1989 O PHE A 126 -9.114 7.945 -12.676 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.800 6.867 -9.688 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.652 8.244 -9.100 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.399 8.815 -8.945 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.767 8.966 -8.710 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.262 10.082 -8.410 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.637 10.232 -8.174 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.383 10.792 -8.024 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.277 8.780 -11.800 1.00 0.00 O ATOM 0 H PHE A 126 -6.424 6.179 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.437 5.807 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.856 6.675 -9.876 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.468 6.132 -8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.520 8.264 -9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.750 8.534 -8.826 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.280 10.517 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.515 10.784 -7.872 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.279 11.782 -7.606 1.00 0.00 H new