USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 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 68 THR OG1 : rot 180:sc= 0.178 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.335 X(o=-0.16,f=0.31) USER MOD Set 2.1: A 64 ASN : amide:sc= -1.38 K(o=-2.8,f=-1.7) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 158:sc= -1.42! (180deg=-0.96!) USER MOD Set 3.1: A 53 TYR OH : rot 92:sc= 1.68 USER MOD Set 3.2: A 111 HIS : no HE2:sc= -0.586 K(o=1.1,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0.705 (180deg=0.539) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 0.394 (180deg=-1.23!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0359 (180deg=-0.23) USER MOD Single : A 76 MET CE :methyl -175:sc= -1.04 (180deg=-1.11) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.923) USER MOD Single : A 79 SER OG : rot -22:sc= 0.0639 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.149 (180deg=-0.432) USER MOD Single : A 83 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.03) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= 1.68 (180deg=1.25) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= 0.481 (180deg=-0.412) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.158! C(o=-0.16!,f=-1.2!) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= 1.16 (180deg=1.04) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= 0.726 (180deg=-0.216) USER MOD Single : A 120 HIS : no HE2:sc= -0.992 K(o=-0.99,f=-2.8!) USER MOD Single : A 129 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.178 1.638 -3.689 1.00 0.83 N ATOM 588 CA VAL A 45 -3.828 2.561 -4.749 1.00 0.83 C ATOM 589 C VAL A 45 -2.460 2.219 -5.362 1.00 0.65 C ATOM 590 O VAL A 45 -2.044 2.814 -6.350 1.00 0.73 O ATOM 591 CB VAL A 45 -3.823 4.003 -4.195 1.00 1.00 C ATOM 592 CG1 VAL A 45 -3.739 5.029 -5.316 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.060 4.251 -3.332 1.00 1.20 C ATOM 0 HA VAL A 45 -4.573 2.477 -5.540 1.00 0.83 H new ATOM 0 HB VAL A 45 -2.935 4.117 -3.573 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -3.738 6.033 -4.891 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -2.821 4.874 -5.883 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -4.598 4.916 -5.978 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.039 5.272 -2.951 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -5.958 4.107 -3.933 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.067 3.552 -2.496 1.00 1.20 H new ATOM 603 N VAL A 46 -1.759 1.255 -4.781 1.00 0.48 N ATOM 604 CA VAL A 46 -0.483 0.825 -5.338 1.00 0.34 C ATOM 605 C VAL A 46 -0.670 -0.192 -6.454 1.00 0.33 C ATOM 606 O VAL A 46 0.139 -0.256 -7.367 1.00 0.40 O ATOM 607 CB VAL A 46 0.474 0.271 -4.246 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.530 -0.655 -4.826 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.150 1.419 -3.531 1.00 0.53 C ATOM 0 H VAL A 46 -2.046 0.761 -3.936 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.017 1.713 -5.766 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.128 -0.308 -3.546 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.175 -1.017 -4.026 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.045 -1.501 -5.312 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.129 -0.111 -5.557 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.820 1.027 -2.766 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.722 2.008 -4.248 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.395 2.051 -3.063 1.00 0.53 H new ATOM 619 N GLY A 47 -1.751 -0.951 -6.415 1.00 0.42 N ATOM 620 CA GLY A 47 -1.989 -1.913 -7.475 1.00 0.54 C ATOM 621 C GLY A 47 -2.112 -1.245 -8.835 1.00 0.56 C ATOM 622 O GLY A 47 -1.941 -1.886 -9.870 1.00 0.72 O ATOM 0 H GLY A 47 -2.460 -0.923 -5.682 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -1.173 -2.635 -7.499 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.901 -2.470 -7.261 1.00 0.54 H new ATOM 626 N LYS A 48 -2.389 0.053 -8.823 1.00 0.49 N ATOM 627 CA LYS A 48 -2.498 0.823 -10.046 1.00 0.60 C ATOM 628 C LYS A 48 -1.245 1.654 -10.323 1.00 0.54 C ATOM 629 O LYS A 48 -0.914 1.911 -11.475 1.00 0.67 O ATOM 630 CB LYS A 48 -3.705 1.753 -9.971 1.00 0.76 C ATOM 631 CG LYS A 48 -3.886 2.456 -8.637 1.00 0.94 C ATOM 632 CD LYS A 48 -4.947 3.542 -8.717 1.00 1.43 C ATOM 633 CE LYS A 48 -6.291 3.006 -9.204 1.00 2.26 C ATOM 634 NZ LYS A 48 -6.950 2.132 -8.197 1.00 2.97 N ATOM 0 H LYS A 48 -2.542 0.593 -7.972 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.617 0.110 -10.862 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.614 2.507 -10.753 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.604 1.176 -10.187 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -4.167 1.728 -7.876 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.938 2.895 -8.324 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.074 3.995 -7.734 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -4.607 4.329 -9.390 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -6.948 3.842 -9.441 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -6.143 2.445 -10.127 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -7.858 1.793 -8.573 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -6.336 1.319 -7.988 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -7.117 2.673 -7.324 1.00 2.97 H new ATOM 648 N ASP A 49 -0.540 2.048 -9.272 1.00 0.45 N ATOM 649 CA ASP A 49 0.575 2.986 -9.408 1.00 0.50 C ATOM 650 C ASP A 49 1.908 2.256 -9.239 1.00 0.40 C ATOM 651 O ASP A 49 2.982 2.860 -9.240 1.00 0.40 O ATOM 652 CB ASP A 49 0.422 4.110 -8.371 1.00 0.68 C ATOM 653 CG ASP A 49 1.191 5.369 -8.729 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.479 5.581 -9.919 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.475 6.172 -7.809 1.00 1.58 O ATOM 0 H ASP A 49 -0.716 1.736 -8.317 1.00 0.45 H new ATOM 0 HA ASP A 49 0.563 3.426 -10.405 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.635 4.356 -8.266 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.763 3.748 -7.401 1.00 0.68 H new ATOM 660 N LYS A 50 1.819 0.938 -9.129 1.00 0.37 N ATOM 661 CA LYS A 50 2.977 0.079 -8.925 1.00 0.35 C ATOM 662 C LYS A 50 4.002 0.208 -10.059 1.00 0.35 C ATOM 663 O LYS A 50 5.189 0.346 -9.780 1.00 0.35 O ATOM 664 CB LYS A 50 2.537 -1.387 -8.779 1.00 0.39 C ATOM 665 CG LYS A 50 3.666 -2.325 -8.386 1.00 0.48 C ATOM 666 CD LYS A 50 3.179 -3.749 -8.203 1.00 0.63 C ATOM 667 CE LYS A 50 4.338 -4.689 -7.918 1.00 0.80 C ATOM 668 NZ LYS A 50 5.305 -4.750 -9.048 1.00 1.13 N ATOM 0 H LYS A 50 0.935 0.431 -9.179 1.00 0.37 H new ATOM 0 HA LYS A 50 3.462 0.407 -8.005 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.748 -1.448 -8.030 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.107 -1.724 -9.722 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.441 -2.302 -9.152 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.123 -1.976 -7.460 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.463 -3.789 -7.382 1.00 0.63 H new ATOM 0 HD3 LYS A 50 2.654 -4.076 -9.100 1.00 0.63 H new ATOM 0 HE2 LYS A 50 4.856 -4.361 -7.017 1.00 0.80 H new ATOM 0 HE3 LYS A 50 3.952 -5.689 -7.718 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.002 -5.500 -8.868 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 4.795 -4.956 -9.931 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 5.794 -3.837 -9.136 1.00 1.13 H new ATOM 682 N PRO A 51 3.584 0.176 -11.348 1.00 0.39 N ATOM 683 CA PRO A 51 4.526 0.261 -12.472 1.00 0.43 C ATOM 684 C PRO A 51 5.333 1.560 -12.459 1.00 0.37 C ATOM 685 O PRO A 51 6.434 1.621 -13.004 1.00 0.36 O ATOM 686 CB PRO A 51 3.637 0.194 -13.717 1.00 0.56 C ATOM 687 CG PRO A 51 2.266 0.529 -13.240 1.00 0.55 C ATOM 688 CD PRO A 51 2.193 0.043 -11.824 1.00 0.45 C ATOM 0 HA PRO A 51 5.267 -0.537 -12.430 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.972 0.899 -14.478 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.665 -0.798 -14.167 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.085 1.603 -13.294 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.509 0.047 -13.858 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.505 0.642 -11.228 1.00 0.45 H new ATOM 0 HD3 PRO A 51 1.846 -0.989 -11.770 1.00 0.45 H new ATOM 696 N THR A 52 4.791 2.583 -11.811 1.00 0.36 N ATOM 697 CA THR A 52 5.465 3.864 -11.713 1.00 0.36 C ATOM 698 C THR A 52 6.557 3.800 -10.648 1.00 0.29 C ATOM 699 O THR A 52 7.649 4.351 -10.812 1.00 0.32 O ATOM 700 CB THR A 52 4.462 5.001 -11.411 1.00 0.44 C ATOM 701 OG1 THR A 52 3.532 5.110 -12.497 1.00 0.60 O ATOM 702 CG2 THR A 52 5.170 6.333 -11.215 1.00 0.50 C ATOM 0 H THR A 52 3.884 2.547 -11.346 1.00 0.36 H new ATOM 0 HA THR A 52 5.929 4.085 -12.674 1.00 0.36 H new ATOM 0 HB THR A 52 3.939 4.758 -10.486 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.893 5.829 -12.309 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.434 7.109 -11.005 1.00 0.50 H new ATOM 0 HG22 THR A 52 5.865 6.256 -10.379 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.719 6.590 -12.121 1.00 0.50 H new ATOM 710 N TYR A 53 6.300 3.079 -9.580 1.00 0.25 N ATOM 711 CA TYR A 53 7.312 2.939 -8.561 1.00 0.24 C ATOM 712 C TYR A 53 8.317 1.881 -8.973 1.00 0.22 C ATOM 713 O TYR A 53 9.471 1.906 -8.565 1.00 0.24 O ATOM 714 CB TYR A 53 6.703 2.506 -7.250 1.00 0.27 C ATOM 715 CG TYR A 53 5.497 3.290 -6.789 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.519 4.674 -6.697 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.334 2.628 -6.429 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.409 5.373 -6.264 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.227 3.318 -5.995 1.00 0.68 C ATOM 720 CZ TYR A 53 3.269 4.685 -5.908 1.00 0.62 C ATOM 721 OH TYR A 53 2.158 5.371 -5.479 1.00 0.79 O ATOM 0 H TYR A 53 5.422 2.592 -9.397 1.00 0.25 H new ATOM 0 HA TYR A 53 7.795 3.909 -8.442 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.420 1.457 -7.333 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.470 2.569 -6.478 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.416 5.212 -6.967 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.297 1.550 -6.491 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.434 6.451 -6.205 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.328 2.785 -5.724 1.00 0.68 H new ATOM 0 HH TYR A 53 1.578 5.565 -6.244 1.00 0.79 H new ATOM 731 N ASP A 54 7.859 0.970 -9.812 1.00 0.21 N ATOM 732 CA ASP A 54 8.693 -0.110 -10.320 1.00 0.23 C ATOM 733 C ASP A 54 9.634 0.416 -11.401 1.00 0.22 C ATOM 734 O ASP A 54 10.780 -0.012 -11.506 1.00 0.23 O ATOM 735 CB ASP A 54 7.786 -1.220 -10.868 1.00 0.31 C ATOM 736 CG ASP A 54 8.520 -2.287 -11.658 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.729 -2.092 -12.876 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.850 -3.333 -11.073 1.00 1.16 O ATOM 0 H ASP A 54 6.901 0.956 -10.161 1.00 0.21 H new ATOM 0 HA ASP A 54 9.307 -0.517 -9.517 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.266 -1.693 -10.035 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.025 -0.771 -11.506 1.00 0.31 H new ATOM 743 N GLU A 55 9.155 1.375 -12.185 1.00 0.24 N ATOM 744 CA GLU A 55 9.996 2.025 -13.178 1.00 0.28 C ATOM 745 C GLU A 55 11.098 2.801 -12.480 1.00 0.29 C ATOM 746 O GLU A 55 12.252 2.740 -12.888 1.00 0.35 O ATOM 747 CB GLU A 55 9.167 2.940 -14.081 1.00 0.35 C ATOM 748 CG GLU A 55 8.632 4.167 -13.374 1.00 0.40 C ATOM 749 CD GLU A 55 7.757 5.021 -14.257 1.00 0.88 C ATOM 750 OE1 GLU A 55 6.542 4.759 -14.350 1.00 1.38 O ATOM 751 OE2 GLU A 55 8.286 5.975 -14.856 1.00 1.63 O ATOM 0 H GLU A 55 8.195 1.717 -12.152 1.00 0.24 H new ATOM 0 HA GLU A 55 10.449 1.263 -13.813 1.00 0.28 H new ATOM 0 HB2 GLU A 55 9.780 3.256 -14.925 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.331 2.373 -14.489 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.062 3.856 -12.499 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.469 4.765 -13.013 1.00 0.40 H new ATOM 758 N ILE A 56 10.754 3.499 -11.397 1.00 0.27 N ATOM 759 CA ILE A 56 11.768 4.195 -10.611 1.00 0.30 C ATOM 760 C ILE A 56 12.680 3.174 -9.930 1.00 0.27 C ATOM 761 O ILE A 56 13.875 3.405 -9.759 1.00 0.30 O ATOM 762 CB ILE A 56 11.136 5.121 -9.553 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.145 6.073 -10.222 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.218 5.914 -8.820 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.336 6.893 -9.242 1.00 0.61 C ATOM 0 H ILE A 56 9.800 3.596 -11.050 1.00 0.27 H new ATOM 0 HA ILE A 56 12.350 4.818 -11.290 1.00 0.30 H new ATOM 0 HB ILE A 56 10.605 4.509 -8.824 1.00 0.34 H new ATOM 0 HG12 ILE A 56 10.691 6.747 -10.883 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.465 5.495 -10.848 1.00 0.42 H new ATOM 0 HG21 ILE A 56 11.754 6.562 -8.077 1.00 0.36 H new ATOM 0 HG22 ILE A 56 12.901 5.225 -8.324 1.00 0.36 H new ATOM 0 HG23 ILE A 56 12.772 6.521 -9.536 1.00 0.36 H new ATOM 0 HD11 ILE A 56 8.655 7.545 -9.789 1.00 0.61 H new ATOM 0 HD12 ILE A 56 8.762 6.227 -8.597 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.007 7.498 -8.633 1.00 0.61 H new ATOM 777 N PHE A 57 12.091 2.034 -9.579 1.00 0.24 N ATOM 778 CA PHE A 57 12.803 0.923 -8.956 1.00 0.22 C ATOM 779 C PHE A 57 13.971 0.444 -9.818 1.00 0.24 C ATOM 780 O PHE A 57 15.112 0.406 -9.356 1.00 0.32 O ATOM 781 CB PHE A 57 11.813 -0.217 -8.690 1.00 0.20 C ATOM 782 CG PHE A 57 12.433 -1.515 -8.262 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.941 -1.676 -6.985 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.501 -2.580 -9.145 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.499 -2.876 -6.596 1.00 0.83 C ATOM 786 CE2 PHE A 57 13.056 -3.782 -8.762 1.00 0.88 C ATOM 787 CZ PHE A 57 13.559 -3.930 -7.490 1.00 0.28 C ATOM 0 H PHE A 57 11.097 1.854 -9.721 1.00 0.24 H new ATOM 0 HA PHE A 57 13.230 1.264 -8.013 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.112 0.104 -7.919 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.232 -0.391 -9.596 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.900 -0.854 -6.286 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.114 -2.467 -10.147 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.888 -2.992 -5.595 1.00 0.83 H new ATOM 0 HE2 PHE A 57 13.096 -4.606 -9.459 1.00 0.88 H new ATOM 0 HZ PHE A 57 14.001 -4.869 -7.190 1.00 0.28 H new ATOM 797 N TYR A 58 13.699 0.092 -11.071 1.00 0.26 N ATOM 798 CA TYR A 58 14.761 -0.345 -11.975 1.00 0.29 C ATOM 799 C TYR A 58 15.673 0.819 -12.332 1.00 0.33 C ATOM 800 O TYR A 58 16.838 0.628 -12.677 1.00 0.37 O ATOM 801 CB TYR A 58 14.186 -0.966 -13.252 1.00 0.33 C ATOM 802 CG TYR A 58 13.570 -2.326 -13.032 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.287 -2.448 -12.531 1.00 0.88 C ATOM 804 CD2 TYR A 58 14.275 -3.488 -13.320 1.00 1.00 C ATOM 805 CE1 TYR A 58 11.720 -3.682 -12.318 1.00 0.92 C ATOM 806 CE2 TYR A 58 13.711 -4.732 -13.111 1.00 1.03 C ATOM 807 CZ TYR A 58 12.433 -4.820 -12.606 1.00 0.50 C ATOM 808 OH TYR A 58 11.855 -6.049 -12.395 1.00 0.61 O ATOM 0 H TYR A 58 12.765 0.100 -11.481 1.00 0.26 H new ATOM 0 HA TYR A 58 15.342 -1.107 -11.455 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.432 -0.296 -13.665 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.979 -1.050 -13.995 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.720 -1.558 -12.303 1.00 0.88 H new ATOM 0 HD2 TYR A 58 15.279 -3.418 -13.713 1.00 1.00 H new ATOM 0 HE1 TYR A 58 10.717 -3.756 -11.925 1.00 0.92 H new ATOM 0 HE2 TYR A 58 14.268 -5.628 -13.342 1.00 1.03 H new ATOM 0 HH TYR A 58 12.486 -6.755 -12.648 1.00 0.61 H new ATOM 818 N THR A 59 15.141 2.020 -12.206 1.00 0.33 N ATOM 819 CA THR A 59 15.895 3.233 -12.476 1.00 0.38 C ATOM 820 C THR A 59 16.961 3.463 -11.396 1.00 0.38 C ATOM 821 O THR A 59 17.961 4.145 -11.627 1.00 0.44 O ATOM 822 CB THR A 59 14.926 4.436 -12.581 1.00 0.40 C ATOM 823 OG1 THR A 59 14.115 4.300 -13.751 1.00 0.44 O ATOM 824 CG2 THR A 59 15.654 5.764 -12.644 1.00 0.44 C ATOM 0 H THR A 59 14.177 2.184 -11.915 1.00 0.33 H new ATOM 0 HA THR A 59 16.416 3.126 -13.427 1.00 0.38 H new ATOM 0 HB THR A 59 14.313 4.431 -11.680 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.244 3.924 -13.504 1.00 0.44 H new ATOM 0 HG21 THR A 59 14.928 6.574 -12.717 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.253 5.894 -11.743 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.305 5.781 -13.518 1.00 0.44 H new ATOM 832 N LEU A 60 16.765 2.862 -10.227 1.00 0.33 N ATOM 833 CA LEU A 60 17.734 2.981 -9.139 1.00 0.35 C ATOM 834 C LEU A 60 18.801 1.890 -9.224 1.00 0.36 C ATOM 835 O LEU A 60 19.717 1.851 -8.402 1.00 0.45 O ATOM 836 CB LEU A 60 17.041 2.902 -7.782 1.00 0.35 C ATOM 837 CG LEU A 60 16.079 4.038 -7.459 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.656 3.936 -6.008 1.00 0.79 C ATOM 839 CD2 LEU A 60 16.723 5.390 -7.726 1.00 0.76 C ATOM 0 H LEU A 60 15.949 2.290 -10.008 1.00 0.33 H new ATOM 0 HA LEU A 60 18.215 3.954 -9.242 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.493 1.961 -7.730 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.806 2.868 -7.006 1.00 0.35 H new ATOM 0 HG LEU A 60 15.204 3.953 -8.103 1.00 0.49 H new ATOM 0 HD11 LEU A 60 14.967 4.747 -5.772 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.161 2.979 -5.840 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.535 4.008 -5.367 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.015 6.184 -7.487 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.612 5.498 -7.105 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.004 5.458 -8.777 1.00 0.76 H new ATOM 851 N SER A 61 18.672 1.021 -10.226 1.00 0.33 N ATOM 852 CA SER A 61 19.578 -0.116 -10.409 1.00 0.36 C ATOM 853 C SER A 61 19.448 -1.119 -9.259 1.00 0.33 C ATOM 854 O SER A 61 20.239 -1.110 -8.313 1.00 0.37 O ATOM 855 CB SER A 61 21.034 0.357 -10.545 1.00 0.45 C ATOM 856 OG SER A 61 21.911 -0.717 -10.853 1.00 0.64 O ATOM 0 H SER A 61 17.939 1.084 -10.933 1.00 0.33 H new ATOM 0 HA SER A 61 19.292 -0.619 -11.333 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.099 1.114 -11.326 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.351 0.830 -9.615 1.00 0.45 H new ATOM 0 HG SER A 61 22.827 -0.378 -10.933 1.00 0.64 H new ATOM 862 N PRO A 62 18.427 -1.987 -9.317 1.00 0.29 N ATOM 863 CA PRO A 62 18.222 -3.018 -8.308 1.00 0.31 C ATOM 864 C PRO A 62 19.130 -4.218 -8.543 1.00 0.32 C ATOM 865 O PRO A 62 19.722 -4.355 -9.616 1.00 0.46 O ATOM 866 CB PRO A 62 16.757 -3.397 -8.499 1.00 0.37 C ATOM 867 CG PRO A 62 16.452 -3.111 -9.933 1.00 0.36 C ATOM 868 CD PRO A 62 17.401 -2.026 -10.374 1.00 0.29 C ATOM 0 HA PRO A 62 18.454 -2.677 -7.299 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.590 -4.448 -8.265 1.00 0.37 H new ATOM 0 HB3 PRO A 62 16.113 -2.817 -7.838 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.580 -4.007 -10.541 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.417 -2.790 -10.051 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.840 -2.252 -11.346 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.892 -1.067 -10.470 1.00 0.29 H new ATOM 876 N VAL A 63 19.238 -5.095 -7.551 1.00 0.33 N ATOM 877 CA VAL A 63 20.107 -6.238 -7.657 1.00 0.42 C ATOM 878 C VAL A 63 19.414 -7.480 -7.157 1.00 0.44 C ATOM 879 O VAL A 63 19.003 -7.540 -6.006 1.00 0.45 O ATOM 880 CB VAL A 63 21.431 -6.024 -6.895 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.404 -5.194 -7.721 1.00 1.33 C ATOM 882 CG2 VAL A 63 21.181 -5.359 -5.544 1.00 1.28 C ATOM 0 H VAL A 63 18.731 -5.027 -6.669 1.00 0.33 H new ATOM 0 HA VAL A 63 20.348 -6.366 -8.712 1.00 0.42 H new ATOM 0 HB VAL A 63 21.876 -7.003 -6.719 1.00 0.58 H new ATOM 0 HG11 VAL A 63 23.330 -5.057 -7.163 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.618 -5.709 -8.657 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.962 -4.221 -7.935 1.00 1.33 H new ATOM 0 HG21 VAL A 63 22.130 -5.219 -5.026 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.705 -4.390 -5.698 1.00 1.28 H new ATOM 0 HG23 VAL A 63 20.529 -5.992 -4.942 1.00 1.28 H new ATOM 892 N ASN A 64 19.252 -8.454 -8.045 1.00 0.54 N ATOM 893 CA ASN A 64 18.604 -9.716 -7.699 1.00 0.63 C ATOM 894 C ASN A 64 17.109 -9.477 -7.414 1.00 0.55 C ATOM 895 O ASN A 64 16.433 -10.267 -6.769 1.00 0.60 O ATOM 896 CB ASN A 64 19.345 -10.342 -6.501 1.00 0.71 C ATOM 897 CG ASN A 64 18.760 -11.647 -6.012 1.00 1.08 C ATOM 898 OD1 ASN A 64 19.102 -12.721 -6.498 1.00 1.42 O ATOM 899 ND2 ASN A 64 17.889 -11.549 -5.025 1.00 1.67 N ATOM 0 H ASN A 64 19.562 -8.394 -9.015 1.00 0.54 H new ATOM 0 HA ASN A 64 18.657 -10.419 -8.530 1.00 0.63 H new ATOM 0 HB2 ASN A 64 20.386 -10.507 -6.780 1.00 0.71 H new ATOM 0 HB3 ASN A 64 19.346 -9.628 -5.677 1.00 0.71 H new ATOM 0 HD21 ASN A 64 17.467 -12.390 -4.632 1.00 1.67 H new ATOM 0 HD22 ASN A 64 17.638 -10.632 -4.656 1.00 1.67 H new ATOM 906 N GLY A 65 16.593 -8.377 -7.937 1.00 0.49 N ATOM 907 CA GLY A 65 15.166 -8.132 -7.879 1.00 0.50 C ATOM 908 C GLY A 65 14.719 -7.307 -6.686 1.00 0.39 C ATOM 909 O GLY A 65 13.576 -7.424 -6.253 1.00 0.49 O ATOM 0 H GLY A 65 17.136 -7.648 -8.401 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.860 -7.623 -8.793 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.646 -9.090 -7.858 1.00 0.50 H new ATOM 913 N LYS A 66 15.605 -6.473 -6.150 1.00 0.33 N ATOM 914 CA LYS A 66 15.232 -5.558 -5.070 1.00 0.26 C ATOM 915 C LYS A 66 16.315 -4.501 -4.882 1.00 0.21 C ATOM 916 O LYS A 66 17.463 -4.705 -5.285 1.00 0.27 O ATOM 917 CB LYS A 66 14.967 -6.315 -3.750 1.00 0.30 C ATOM 918 CG LYS A 66 16.205 -6.644 -2.927 1.00 0.75 C ATOM 919 CD LYS A 66 17.238 -7.403 -3.729 1.00 0.61 C ATOM 920 CE LYS A 66 18.453 -7.753 -2.894 1.00 1.21 C ATOM 921 NZ LYS A 66 19.329 -8.710 -3.610 1.00 1.82 N ATOM 0 H LYS A 66 16.580 -6.410 -6.442 1.00 0.33 H new ATOM 0 HA LYS A 66 14.302 -5.063 -5.351 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.292 -5.717 -3.137 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.448 -7.245 -3.982 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.646 -5.720 -2.551 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.915 -7.235 -2.058 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.793 -8.316 -4.123 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.546 -6.803 -4.585 1.00 0.61 H new ATOM 0 HE2 LYS A 66 19.012 -6.847 -2.660 1.00 1.21 H new ATOM 0 HE3 LYS A 66 18.135 -8.185 -1.945 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 20.293 -8.654 -3.224 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 18.962 -9.675 -3.487 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 19.348 -8.473 -4.622 1.00 1.82 H new ATOM 935 N ILE A 67 15.958 -3.366 -4.304 1.00 0.18 N ATOM 936 CA ILE A 67 16.949 -2.339 -4.010 1.00 0.20 C ATOM 937 C ILE A 67 17.503 -2.520 -2.618 1.00 0.19 C ATOM 938 O ILE A 67 16.748 -2.647 -1.653 1.00 0.21 O ATOM 939 CB ILE A 67 16.402 -0.906 -4.156 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.973 -0.818 -3.617 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.472 -0.445 -5.608 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.301 0.506 -3.870 1.00 0.35 C ATOM 0 H ILE A 67 15.003 -3.132 -4.031 1.00 0.18 H new ATOM 0 HA ILE A 67 17.739 -2.464 -4.750 1.00 0.20 H new ATOM 0 HB ILE A 67 17.027 -0.238 -3.564 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.376 -1.609 -4.070 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.989 -1.006 -2.543 1.00 0.29 H new ATOM 0 HG21 ILE A 67 16.081 0.569 -5.687 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.508 -0.461 -5.945 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.877 -1.113 -6.231 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.292 0.487 -3.457 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.873 1.302 -3.393 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.251 0.689 -4.943 1.00 0.35 H new ATOM 954 N THR A 68 18.824 -2.540 -2.519 1.00 0.24 N ATOM 955 CA THR A 68 19.478 -2.699 -1.239 1.00 0.30 C ATOM 956 C THR A 68 19.344 -1.451 -0.388 1.00 0.36 C ATOM 957 O THR A 68 20.225 -0.598 -0.374 1.00 0.70 O ATOM 958 CB THR A 68 20.966 -3.024 -1.424 1.00 0.44 C ATOM 959 OG1 THR A 68 21.404 -2.567 -2.713 1.00 0.65 O ATOM 960 CG2 THR A 68 21.226 -4.519 -1.284 1.00 0.55 C ATOM 0 H THR A 68 19.459 -2.448 -3.312 1.00 0.24 H new ATOM 0 HA THR A 68 18.985 -3.527 -0.729 1.00 0.30 H new ATOM 0 HB THR A 68 21.529 -2.511 -0.644 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.355 -2.774 -2.828 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.289 -4.718 -1.420 1.00 0.55 H new ATOM 0 HG22 THR A 68 20.919 -4.850 -0.292 1.00 0.55 H new ATOM 0 HG23 THR A 68 20.656 -5.060 -2.040 1.00 0.55 H new ATOM 968 N GLY A 69 18.196 -1.370 0.266 1.00 0.29 N ATOM 969 CA GLY A 69 17.911 -0.425 1.337 1.00 0.31 C ATOM 970 C GLY A 69 18.357 1.002 1.105 1.00 0.31 C ATOM 971 O GLY A 69 17.530 1.860 0.815 1.00 0.38 O ATOM 0 H GLY A 69 17.407 -1.983 0.059 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.836 -0.423 1.515 1.00 0.31 H new ATOM 0 HA3 GLY A 69 18.385 -0.788 2.249 1.00 0.31 H new ATOM 975 N ALA A 70 19.654 1.251 1.251 1.00 0.33 N ATOM 976 CA ALA A 70 20.232 2.595 1.132 1.00 0.37 C ATOM 977 C ALA A 70 19.729 3.358 -0.100 1.00 0.35 C ATOM 978 O ALA A 70 19.658 4.584 -0.084 1.00 0.39 O ATOM 979 CB ALA A 70 21.746 2.500 1.097 1.00 0.44 C ATOM 0 H ALA A 70 20.342 0.526 1.456 1.00 0.33 H new ATOM 0 HA ALA A 70 19.908 3.159 2.006 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.171 3.500 1.009 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.103 2.034 2.015 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.053 1.898 0.242 1.00 0.44 H new ATOM 985 N ASN A 71 19.376 2.635 -1.160 1.00 0.35 N ATOM 986 CA ASN A 71 18.869 3.262 -2.383 1.00 0.37 C ATOM 987 C ASN A 71 17.465 3.804 -2.150 1.00 0.34 C ATOM 988 O ASN A 71 17.140 4.918 -2.550 1.00 0.34 O ATOM 989 CB ASN A 71 18.857 2.267 -3.547 1.00 0.47 C ATOM 990 CG ASN A 71 20.136 1.466 -3.630 1.00 1.01 C ATOM 991 OD1 ASN A 71 21.133 1.917 -4.188 1.00 2.11 O ATOM 992 ND2 ASN A 71 20.110 0.262 -3.077 1.00 1.00 N ATOM 0 H ASN A 71 19.431 1.617 -1.199 1.00 0.35 H new ATOM 0 HA ASN A 71 19.535 4.085 -2.643 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.012 1.588 -3.433 1.00 0.47 H new ATOM 0 HB3 ASN A 71 18.708 2.807 -4.482 1.00 0.47 H new ATOM 0 HD21 ASN A 71 20.940 -0.330 -3.105 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.260 -0.073 -2.624 1.00 1.00 H new ATOM 999 N ALA A 72 16.643 3.019 -1.466 1.00 0.35 N ATOM 1000 CA ALA A 72 15.293 3.445 -1.133 1.00 0.35 C ATOM 1001 C ALA A 72 15.337 4.516 -0.058 1.00 0.31 C ATOM 1002 O ALA A 72 14.511 5.430 -0.026 1.00 0.30 O ATOM 1003 CB ALA A 72 14.463 2.265 -0.666 1.00 0.42 C ATOM 0 H ALA A 72 16.888 2.087 -1.132 1.00 0.35 H new ATOM 0 HA ALA A 72 14.827 3.860 -2.027 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.456 2.603 -0.421 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.413 1.519 -1.459 1.00 0.42 H new ATOM 0 HB3 ALA A 72 14.923 1.824 0.218 1.00 0.42 H new ATOM 1009 N LYS A 73 16.313 4.390 0.829 1.00 0.31 N ATOM 1010 CA LYS A 73 16.559 5.401 1.839 1.00 0.31 C ATOM 1011 C LYS A 73 16.980 6.694 1.171 1.00 0.29 C ATOM 1012 O LYS A 73 16.575 7.771 1.579 1.00 0.30 O ATOM 1013 CB LYS A 73 17.632 4.936 2.818 1.00 0.37 C ATOM 1014 CG LYS A 73 17.238 3.685 3.582 1.00 0.39 C ATOM 1015 CD LYS A 73 15.958 3.906 4.371 1.00 0.44 C ATOM 1016 CE LYS A 73 16.208 4.723 5.627 1.00 0.85 C ATOM 1017 NZ LYS A 73 14.949 5.149 6.293 1.00 1.69 N ATOM 0 H LYS A 73 16.948 3.593 0.867 1.00 0.31 H new ATOM 0 HA LYS A 73 15.640 5.569 2.400 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.556 4.745 2.272 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.840 5.737 3.527 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.101 2.858 2.886 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.043 3.401 4.260 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.227 4.417 3.744 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.527 2.943 4.643 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.803 4.135 6.326 1.00 0.85 H new ATOM 0 HE3 LYS A 73 16.796 5.605 5.371 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 15.085 6.085 6.726 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 14.185 5.201 5.590 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 14.696 4.460 7.030 1.00 1.69 H new ATOM 1031 N LYS A 74 17.782 6.561 0.126 1.00 0.31 N ATOM 1032 CA LYS A 74 18.206 7.688 -0.686 1.00 0.34 C ATOM 1033 C LYS A 74 16.995 8.447 -1.192 1.00 0.31 C ATOM 1034 O LYS A 74 16.934 9.675 -1.124 1.00 0.33 O ATOM 1035 CB LYS A 74 19.001 7.176 -1.878 1.00 0.44 C ATOM 1036 CG LYS A 74 19.994 8.174 -2.421 1.00 0.83 C ATOM 1037 CD LYS A 74 21.181 8.298 -1.491 1.00 1.02 C ATOM 1038 CE LYS A 74 21.923 6.975 -1.348 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.423 6.465 -2.655 1.00 1.35 N ATOM 0 H LYS A 74 18.158 5.664 -0.183 1.00 0.31 H new ATOM 0 HA LYS A 74 18.823 8.352 -0.080 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.533 6.270 -1.586 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.308 6.897 -2.672 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.330 7.861 -3.410 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.514 9.146 -2.540 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.863 9.059 -1.870 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.842 8.634 -0.511 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.763 7.104 -0.665 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.259 6.235 -0.901 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.074 5.671 -2.492 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.620 6.141 -3.231 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.924 7.226 -3.156 1.00 1.35 H new ATOM 1053 N GLU A 75 16.050 7.684 -1.705 1.00 0.34 N ATOM 1054 CA GLU A 75 14.814 8.242 -2.245 1.00 0.38 C ATOM 1055 C GLU A 75 14.022 9.005 -1.185 1.00 0.34 C ATOM 1056 O GLU A 75 13.601 10.144 -1.408 1.00 0.38 O ATOM 1057 CB GLU A 75 13.943 7.157 -2.878 1.00 0.47 C ATOM 1058 CG GLU A 75 14.626 6.412 -4.015 1.00 0.62 C ATOM 1059 CD GLU A 75 15.432 7.329 -4.918 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.847 7.951 -5.829 1.00 1.36 O ATOM 1061 OE2 GLU A 75 16.659 7.444 -4.714 1.00 1.48 O ATOM 0 H GLU A 75 16.111 6.667 -1.762 1.00 0.34 H new ATOM 0 HA GLU A 75 15.103 8.950 -3.022 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.653 6.441 -2.109 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.026 7.612 -3.252 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.284 5.648 -3.600 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.872 5.895 -4.609 1.00 0.62 H new ATOM 1068 N MET A 76 13.831 8.396 -0.029 1.00 0.31 N ATOM 1069 CA MET A 76 13.099 9.054 1.049 1.00 0.32 C ATOM 1070 C MET A 76 13.913 10.213 1.644 1.00 0.31 C ATOM 1071 O MET A 76 13.371 11.069 2.342 1.00 0.36 O ATOM 1072 CB MET A 76 12.681 8.041 2.122 1.00 0.33 C ATOM 1073 CG MET A 76 13.800 7.131 2.573 1.00 0.50 C ATOM 1074 SD MET A 76 13.294 5.984 3.876 1.00 0.65 S ATOM 1075 CE MET A 76 12.180 4.906 2.975 1.00 0.46 C ATOM 0 H MET A 76 14.166 7.458 0.191 1.00 0.31 H new ATOM 0 HA MET A 76 12.188 9.482 0.631 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.294 8.581 2.986 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.864 7.432 1.734 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.166 6.563 1.718 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.632 7.737 2.932 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.718 4.200 3.666 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.405 5.503 2.495 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.738 4.358 2.216 1.00 0.46 H new ATOM 1085 N VAL A 77 15.213 10.243 1.349 1.00 0.30 N ATOM 1086 CA VAL A 77 16.060 11.390 1.701 1.00 0.34 C ATOM 1087 C VAL A 77 15.795 12.561 0.759 1.00 0.37 C ATOM 1088 O VAL A 77 15.557 13.685 1.203 1.00 0.41 O ATOM 1089 CB VAL A 77 17.572 11.054 1.649 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.428 12.311 1.780 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.945 10.065 2.739 1.00 0.42 C ATOM 0 H VAL A 77 15.704 9.489 0.868 1.00 0.30 H new ATOM 0 HA VAL A 77 15.801 11.655 2.726 1.00 0.34 H new ATOM 0 HB VAL A 77 17.768 10.602 0.677 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.483 12.039 1.740 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.198 12.995 0.963 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.215 12.798 2.731 1.00 0.59 H new ATOM 0 HG21 VAL A 77 19.011 9.845 2.682 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.715 10.494 3.714 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.377 9.144 2.605 1.00 0.42 H new ATOM 1101 N LYS A 78 15.826 12.286 -0.548 1.00 0.39 N ATOM 1102 CA LYS A 78 15.643 13.327 -1.564 1.00 0.45 C ATOM 1103 C LYS A 78 14.208 13.844 -1.545 1.00 0.48 C ATOM 1104 O LYS A 78 13.891 14.865 -2.159 1.00 0.59 O ATOM 1105 CB LYS A 78 16.005 12.791 -2.955 1.00 0.54 C ATOM 1106 CG LYS A 78 14.960 11.857 -3.531 1.00 0.76 C ATOM 1107 CD LYS A 78 15.586 10.678 -4.249 1.00 0.84 C ATOM 1108 CE LYS A 78 16.306 11.078 -5.520 1.00 1.08 C ATOM 1109 NZ LYS A 78 16.696 9.884 -6.317 1.00 1.20 N ATOM 0 H LYS A 78 15.976 11.351 -0.928 1.00 0.39 H new ATOM 0 HA LYS A 78 16.311 14.157 -1.332 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.145 13.631 -3.635 1.00 0.54 H new ATOM 0 HB3 LYS A 78 16.958 12.266 -2.897 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.317 11.493 -2.729 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.324 12.408 -4.224 1.00 0.76 H new ATOM 0 HD2 LYS A 78 16.289 10.183 -3.579 1.00 0.84 H new ATOM 0 HD3 LYS A 78 14.810 9.952 -4.490 1.00 0.84 H new ATOM 0 HE2 LYS A 78 15.662 11.723 -6.118 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.195 11.658 -5.270 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.048 10.187 -7.247 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.444 9.362 -5.817 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 15.869 9.266 -6.445 1.00 1.20 H new ATOM 1123 N SER A 79 13.343 13.129 -0.829 1.00 0.44 N ATOM 1124 CA SER A 79 11.979 13.580 -0.588 1.00 0.51 C ATOM 1125 C SER A 79 11.975 14.796 0.347 1.00 0.55 C ATOM 1126 O SER A 79 10.931 15.417 0.569 1.00 0.64 O ATOM 1127 CB SER A 79 11.143 12.443 0.011 1.00 0.53 C ATOM 1128 OG SER A 79 9.803 12.853 0.241 1.00 1.37 O ATOM 0 H SER A 79 13.567 12.229 -0.404 1.00 0.44 H new ATOM 0 HA SER A 79 11.536 13.875 -1.539 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.153 11.587 -0.664 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.591 12.115 0.949 1.00 0.53 H new ATOM 0 HG SER A 79 9.767 13.830 0.307 1.00 1.37 H new ATOM 1134 N LYS A 80 13.157 15.108 0.894 1.00 0.54 N ATOM 1135 CA LYS A 80 13.361 16.278 1.746 1.00 0.61 C ATOM 1136 C LYS A 80 12.580 16.134 3.040 1.00 0.62 C ATOM 1137 O LYS A 80 11.597 16.839 3.277 1.00 0.75 O ATOM 1138 CB LYS A 80 12.976 17.562 1.006 1.00 0.70 C ATOM 1139 CG LYS A 80 13.741 17.739 -0.289 1.00 1.01 C ATOM 1140 CD LYS A 80 13.173 18.863 -1.132 1.00 1.31 C ATOM 1141 CE LYS A 80 13.882 18.960 -2.473 1.00 1.94 C ATOM 1142 NZ LYS A 80 13.896 17.653 -3.193 1.00 2.65 N ATOM 0 H LYS A 80 14.000 14.551 0.755 1.00 0.54 H new ATOM 0 HA LYS A 80 14.420 16.344 1.996 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.907 17.548 0.793 1.00 0.70 H new ATOM 0 HB3 LYS A 80 13.161 18.419 1.653 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.788 17.945 -0.067 1.00 1.01 H new ATOM 0 HG3 LYS A 80 13.713 16.809 -0.857 1.00 1.01 H new ATOM 0 HD2 LYS A 80 12.108 18.697 -1.293 1.00 1.31 H new ATOM 0 HD3 LYS A 80 13.272 19.807 -0.597 1.00 1.31 H new ATOM 0 HE2 LYS A 80 13.388 19.709 -3.091 1.00 1.94 H new ATOM 0 HE3 LYS A 80 14.906 19.300 -2.318 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 14.102 17.813 -4.200 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 14.628 17.039 -2.783 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 12.967 17.195 -3.099 1.00 2.65 H new ATOM 1156 N LEU A 81 13.015 15.194 3.865 1.00 0.66 N ATOM 1157 CA LEU A 81 12.320 14.874 5.099 1.00 0.69 C ATOM 1158 C LEU A 81 13.287 14.856 6.268 1.00 0.73 C ATOM 1159 O LEU A 81 14.493 14.714 6.082 1.00 0.75 O ATOM 1160 CB LEU A 81 11.668 13.495 4.998 1.00 0.70 C ATOM 1161 CG LEU A 81 10.805 13.259 3.760 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.426 11.792 3.646 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.557 14.124 3.792 1.00 1.08 C ATOM 0 H LEU A 81 13.853 14.636 3.699 1.00 0.66 H new ATOM 0 HA LEU A 81 11.560 15.639 5.259 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.454 12.740 5.020 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.051 13.339 5.883 1.00 0.70 H new ATOM 0 HG LEU A 81 11.391 13.538 2.884 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.811 11.643 2.758 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.330 11.188 3.567 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.865 11.491 4.531 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.961 13.936 2.899 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.970 13.883 4.678 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.844 15.175 3.822 1.00 1.08 H new ATOM 1175 N PRO A 82 12.771 15.008 7.490 1.00 0.78 N ATOM 1176 CA PRO A 82 13.546 14.762 8.699 1.00 0.84 C ATOM 1177 C PRO A 82 13.711 13.262 8.942 1.00 0.75 C ATOM 1178 O PRO A 82 12.983 12.445 8.364 1.00 0.70 O ATOM 1179 CB PRO A 82 12.701 15.404 9.798 1.00 0.95 C ATOM 1180 CG PRO A 82 11.306 15.334 9.281 1.00 0.91 C ATOM 1181 CD PRO A 82 11.402 15.461 7.790 1.00 0.82 C ATOM 0 HA PRO A 82 14.556 15.168 8.649 1.00 0.84 H new ATOM 0 HB2 PRO A 82 12.802 14.868 10.742 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.005 16.434 9.982 1.00 0.95 H new ATOM 0 HG2 PRO A 82 10.834 14.392 9.561 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.695 16.133 9.701 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.657 14.845 7.287 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.239 16.488 7.464 1.00 0.82 H new ATOM 1189 N ASN A 83 14.646 12.903 9.807 1.00 0.79 N ATOM 1190 CA ASN A 83 14.949 11.500 10.081 1.00 0.72 C ATOM 1191 C ASN A 83 13.760 10.790 10.712 1.00 0.65 C ATOM 1192 O ASN A 83 13.617 9.577 10.597 1.00 0.61 O ATOM 1193 CB ASN A 83 16.163 11.382 11.003 1.00 0.82 C ATOM 1194 CG ASN A 83 17.454 11.823 10.341 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.334 12.380 10.996 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.586 11.566 9.048 1.00 1.16 N ATOM 0 H ASN A 83 15.213 13.565 10.336 1.00 0.79 H new ATOM 0 HA ASN A 83 15.173 11.022 9.127 1.00 0.72 H new ATOM 0 HB2 ASN A 83 15.994 11.984 11.896 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.264 10.347 11.331 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.441 11.832 8.560 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.832 11.102 8.541 1.00 1.16 H new ATOM 1203 N THR A 84 12.915 11.556 11.383 1.00 0.67 N ATOM 1204 CA THR A 84 11.705 11.025 11.985 1.00 0.67 C ATOM 1205 C THR A 84 10.781 10.445 10.911 1.00 0.58 C ATOM 1206 O THR A 84 10.377 9.279 10.975 1.00 0.53 O ATOM 1207 CB THR A 84 10.974 12.140 12.745 1.00 0.77 C ATOM 1208 OG1 THR A 84 11.906 13.182 13.068 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.337 11.602 14.019 1.00 1.24 C ATOM 0 H THR A 84 13.048 12.557 11.525 1.00 0.67 H new ATOM 0 HA THR A 84 11.980 10.229 12.677 1.00 0.67 H new ATOM 0 HB THR A 84 10.181 12.536 12.110 1.00 0.77 H new ATOM 0 HG1 THR A 84 11.442 13.897 13.552 1.00 1.11 H new ATOM 0 HG21 THR A 84 9.825 12.411 14.540 1.00 1.24 H new ATOM 0 HG22 THR A 84 9.619 10.822 13.765 1.00 1.24 H new ATOM 0 HG23 THR A 84 11.110 11.187 14.665 1.00 1.24 H new ATOM 1217 N VAL A 85 10.475 11.269 9.913 1.00 0.59 N ATOM 1218 CA VAL A 85 9.619 10.863 8.808 1.00 0.55 C ATOM 1219 C VAL A 85 10.272 9.741 8.017 1.00 0.49 C ATOM 1220 O VAL A 85 9.633 8.741 7.715 1.00 0.45 O ATOM 1221 CB VAL A 85 9.308 12.049 7.876 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.438 11.604 6.719 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.625 13.165 8.655 1.00 0.72 C ATOM 0 H VAL A 85 10.812 12.230 9.849 1.00 0.59 H new ATOM 0 HA VAL A 85 8.680 10.505 9.230 1.00 0.55 H new ATOM 0 HB VAL A 85 10.247 12.428 7.473 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.229 12.456 6.072 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.957 10.834 6.149 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.500 11.201 7.103 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.410 13.998 7.985 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.694 12.793 9.082 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.282 13.504 9.456 1.00 0.72 H new ATOM 1233 N LEU A 86 11.555 9.906 7.711 1.00 0.50 N ATOM 1234 CA LEU A 86 12.321 8.877 7.009 1.00 0.50 C ATOM 1235 C LEU A 86 12.239 7.535 7.714 1.00 0.40 C ATOM 1236 O LEU A 86 11.913 6.514 7.102 1.00 0.38 O ATOM 1237 CB LEU A 86 13.785 9.275 6.920 1.00 0.62 C ATOM 1238 CG LEU A 86 14.244 9.775 5.560 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.439 11.281 5.567 1.00 1.45 C ATOM 1240 CD2 LEU A 86 15.517 9.052 5.174 1.00 1.34 C ATOM 0 H LEU A 86 12.089 10.745 7.938 1.00 0.50 H new ATOM 0 HA LEU A 86 11.888 8.785 6.013 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.978 10.053 7.658 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.395 8.415 7.197 1.00 0.62 H new ATOM 0 HG LEU A 86 13.475 9.562 4.817 1.00 0.72 H new ATOM 0 HD11 LEU A 86 14.767 11.610 4.581 1.00 1.45 H new ATOM 0 HD12 LEU A 86 13.497 11.769 5.817 1.00 1.45 H new ATOM 0 HD13 LEU A 86 15.193 11.547 6.308 1.00 1.45 H new ATOM 0 HD21 LEU A 86 15.854 9.404 4.199 1.00 1.34 H new ATOM 0 HD22 LEU A 86 16.288 9.251 5.918 1.00 1.34 H new ATOM 0 HD23 LEU A 86 15.326 7.980 5.126 1.00 1.34 H new ATOM 1252 N GLY A 87 12.559 7.541 9.002 1.00 0.39 N ATOM 1253 CA GLY A 87 12.585 6.315 9.766 1.00 0.39 C ATOM 1254 C GLY A 87 11.241 5.632 9.809 1.00 0.33 C ATOM 1255 O GLY A 87 11.165 4.397 9.782 1.00 0.37 O ATOM 0 H GLY A 87 12.802 8.379 9.531 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.320 5.636 9.333 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.912 6.532 10.783 1.00 0.39 H new ATOM 1259 N LYS A 88 10.170 6.415 9.845 1.00 0.34 N ATOM 1260 CA LYS A 88 8.849 5.823 9.981 1.00 0.37 C ATOM 1261 C LYS A 88 8.253 5.503 8.621 1.00 0.34 C ATOM 1262 O LYS A 88 7.365 4.666 8.520 1.00 0.41 O ATOM 1263 CB LYS A 88 7.896 6.670 10.834 1.00 0.49 C ATOM 1264 CG LYS A 88 7.356 7.931 10.188 1.00 0.65 C ATOM 1265 CD LYS A 88 6.210 8.470 11.034 1.00 0.98 C ATOM 1266 CE LYS A 88 5.710 9.829 10.575 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.594 10.311 11.440 1.00 1.66 N ATOM 0 H LYS A 88 10.188 7.433 9.784 1.00 0.34 H new ATOM 0 HA LYS A 88 8.980 4.886 10.523 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.051 6.046 11.125 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.415 6.951 11.750 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.145 8.678 10.103 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.009 7.717 9.177 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.384 7.759 11.009 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.537 8.542 12.071 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.529 10.548 10.598 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.371 9.765 9.541 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.551 11.350 11.405 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.695 9.915 11.099 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.757 10.004 12.420 1.00 1.66 H new ATOM 1281 N ILE A 89 8.750 6.154 7.576 1.00 0.30 N ATOM 1282 CA ILE A 89 8.390 5.771 6.221 1.00 0.31 C ATOM 1283 C ILE A 89 9.010 4.421 5.899 1.00 0.26 C ATOM 1284 O ILE A 89 8.353 3.551 5.340 1.00 0.28 O ATOM 1285 CB ILE A 89 8.833 6.820 5.171 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.937 8.059 5.248 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.810 6.233 3.763 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.223 9.080 4.170 1.00 1.15 C ATOM 0 H ILE A 89 9.396 6.941 7.641 1.00 0.30 H new ATOM 0 HA ILE A 89 7.303 5.710 6.172 1.00 0.31 H new ATOM 0 HB ILE A 89 9.859 7.112 5.396 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.895 7.749 5.176 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.063 8.528 6.224 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.126 6.992 3.047 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.489 5.382 3.712 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.799 5.905 3.522 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.551 9.930 4.287 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.255 9.419 4.255 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.069 8.628 3.190 1.00 1.15 H new ATOM 1300 N TRP A 90 10.276 4.248 6.281 1.00 0.24 N ATOM 1301 CA TRP A 90 10.951 2.968 6.098 1.00 0.22 C ATOM 1302 C TRP A 90 10.207 1.853 6.823 1.00 0.23 C ATOM 1303 O TRP A 90 9.826 0.851 6.219 1.00 0.25 O ATOM 1304 CB TRP A 90 12.384 3.016 6.612 1.00 0.22 C ATOM 1305 CG TRP A 90 13.100 1.717 6.411 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.386 0.775 7.359 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.597 1.202 5.172 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.057 -0.281 6.782 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.197 -0.040 5.445 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.599 1.679 3.859 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.799 -0.809 4.451 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.193 0.915 2.876 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.787 -0.315 3.176 1.00 0.30 C ATOM 0 H TRP A 90 10.848 4.972 6.715 1.00 0.24 H new ATOM 0 HA TRP A 90 10.963 2.766 5.027 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.926 3.811 6.099 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.380 3.266 7.673 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.125 0.848 8.404 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.394 -1.109 7.274 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.144 2.628 3.618 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.258 -1.760 4.679 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.199 1.273 1.857 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.246 -0.887 2.383 1.00 0.30 H new ATOM 1324 N LYS A 91 9.990 2.048 8.119 1.00 0.26 N ATOM 1325 CA LYS A 91 9.423 0.999 8.958 1.00 0.30 C ATOM 1326 C LYS A 91 7.945 0.761 8.657 1.00 0.31 C ATOM 1327 O LYS A 91 7.384 -0.243 9.083 1.00 0.42 O ATOM 1328 CB LYS A 91 9.607 1.340 10.438 1.00 0.40 C ATOM 1329 CG LYS A 91 8.780 2.527 10.906 1.00 1.08 C ATOM 1330 CD LYS A 91 8.884 2.728 12.409 1.00 1.26 C ATOM 1331 CE LYS A 91 9.964 3.740 12.789 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.330 3.253 12.470 1.00 2.54 N ATOM 0 H LYS A 91 10.197 2.918 8.609 1.00 0.26 H new ATOM 0 HA LYS A 91 9.960 0.078 8.730 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.344 0.468 11.037 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.661 1.548 10.624 1.00 0.40 H new ATOM 0 HG2 LYS A 91 9.116 3.429 10.394 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.736 2.374 10.631 1.00 1.08 H new ATOM 0 HD2 LYS A 91 7.922 3.065 12.795 1.00 1.26 H new ATOM 0 HD3 LYS A 91 9.101 1.772 12.886 1.00 1.26 H new ATOM 0 HE2 LYS A 91 9.782 4.677 12.262 1.00 2.03 H new ATOM 0 HE3 LYS A 91 9.897 3.956 13.855 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 12.012 3.673 13.134 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.358 2.217 12.554 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 11.578 3.528 11.498 1.00 2.54 H new ATOM 1346 N LEU A 92 7.313 1.695 7.959 1.00 0.27 N ATOM 1347 CA LEU A 92 5.922 1.522 7.565 1.00 0.33 C ATOM 1348 C LEU A 92 5.840 0.930 6.157 1.00 0.34 C ATOM 1349 O LEU A 92 4.848 0.298 5.800 1.00 0.47 O ATOM 1350 CB LEU A 92 5.180 2.861 7.618 1.00 0.37 C ATOM 1351 CG LEU A 92 3.647 2.774 7.660 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.170 2.284 9.018 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.020 4.122 7.346 1.00 0.61 C ATOM 0 H LEU A 92 7.737 2.572 7.656 1.00 0.27 H new ATOM 0 HA LEU A 92 5.448 0.833 8.264 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.518 3.408 8.498 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.468 3.449 6.747 1.00 0.37 H new ATOM 0 HG LEU A 92 3.334 2.058 6.900 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.081 2.231 9.024 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.583 1.294 9.213 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.503 2.975 9.792 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.934 4.035 7.382 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.350 4.857 8.081 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.326 4.442 6.350 1.00 0.61 H new ATOM 1365 N ALA A 93 6.887 1.146 5.358 1.00 0.30 N ATOM 1366 CA ALA A 93 6.924 0.648 3.993 1.00 0.37 C ATOM 1367 C ALA A 93 7.309 -0.817 3.970 1.00 0.37 C ATOM 1368 O ALA A 93 6.730 -1.615 3.233 1.00 0.45 O ATOM 1369 CB ALA A 93 7.900 1.456 3.158 1.00 0.43 C ATOM 0 H ALA A 93 7.719 1.664 5.639 1.00 0.30 H new ATOM 0 HA ALA A 93 5.927 0.753 3.566 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.914 1.069 2.139 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.590 2.501 3.145 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.898 1.380 3.589 1.00 0.43 H new ATOM 1375 N ASP A 94 8.292 -1.172 4.778 1.00 0.32 N ATOM 1376 CA ASP A 94 8.678 -2.561 4.896 1.00 0.38 C ATOM 1377 C ASP A 94 8.083 -3.146 6.168 1.00 0.45 C ATOM 1378 O ASP A 94 8.413 -2.730 7.278 1.00 0.49 O ATOM 1379 CB ASP A 94 10.201 -2.749 4.878 1.00 0.35 C ATOM 1380 CG ASP A 94 10.560 -4.216 4.721 1.00 0.47 C ATOM 1381 OD1 ASP A 94 9.709 -5.067 5.001 1.00 0.61 O ATOM 1382 OD2 ASP A 94 11.689 -4.547 4.317 1.00 0.62 O ATOM 0 H ASP A 94 8.830 -0.525 5.354 1.00 0.32 H new ATOM 0 HA ASP A 94 8.287 -3.091 4.027 1.00 0.38 H new ATOM 0 HB2 ASP A 94 10.633 -2.174 4.059 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.631 -2.361 5.801 1.00 0.35 H new ATOM 1387 N VAL A 95 7.183 -4.094 5.983 1.00 0.64 N ATOM 1388 CA VAL A 95 6.517 -4.767 7.092 1.00 0.79 C ATOM 1389 C VAL A 95 7.449 -5.765 7.786 1.00 0.74 C ATOM 1390 O VAL A 95 7.257 -6.098 8.957 1.00 0.88 O ATOM 1391 CB VAL A 95 5.247 -5.507 6.614 1.00 1.07 C ATOM 1392 CG1 VAL A 95 4.445 -6.014 7.801 1.00 1.76 C ATOM 1393 CG2 VAL A 95 4.390 -4.604 5.740 1.00 1.57 C ATOM 0 H VAL A 95 6.891 -4.422 5.062 1.00 0.64 H new ATOM 0 HA VAL A 95 6.235 -3.993 7.806 1.00 0.79 H new ATOM 0 HB VAL A 95 5.559 -6.363 6.016 1.00 1.07 H new ATOM 0 HG11 VAL A 95 3.555 -6.532 7.444 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.056 -6.702 8.385 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.148 -5.172 8.426 1.00 1.76 H new ATOM 0 HG21 VAL A 95 3.502 -5.147 5.416 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.090 -3.725 6.310 1.00 1.57 H new ATOM 0 HG23 VAL A 95 4.963 -4.292 4.867 1.00 1.57 H new ATOM 1403 N ASP A 96 8.466 -6.226 7.070 1.00 0.68 N ATOM 1404 CA ASP A 96 9.361 -7.250 7.602 1.00 0.73 C ATOM 1405 C ASP A 96 10.683 -6.623 8.029 1.00 0.60 C ATOM 1406 O ASP A 96 11.376 -7.140 8.907 1.00 0.68 O ATOM 1407 CB ASP A 96 9.580 -8.338 6.548 1.00 0.94 C ATOM 1408 CG ASP A 96 10.792 -8.104 5.662 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.655 -7.419 4.619 1.00 1.40 O ATOM 1410 OD2 ASP A 96 11.880 -8.606 5.995 1.00 1.70 O ATOM 0 H ASP A 96 8.692 -5.911 6.126 1.00 0.68 H new ATOM 0 HA ASP A 96 8.908 -7.707 8.482 1.00 0.73 H new ATOM 0 HB2 ASP A 96 9.690 -9.299 7.050 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.691 -8.406 5.920 1.00 0.94 H new ATOM 1415 N LYS A 97 11.001 -5.490 7.402 1.00 0.48 N ATOM 1416 CA LYS A 97 12.102 -4.624 7.817 1.00 0.46 C ATOM 1417 C LYS A 97 13.428 -5.363 7.747 1.00 0.46 C ATOM 1418 O LYS A 97 14.036 -5.708 8.762 1.00 0.70 O ATOM 1419 CB LYS A 97 11.841 -4.087 9.216 1.00 0.59 C ATOM 1420 CG LYS A 97 10.381 -3.727 9.420 1.00 0.67 C ATOM 1421 CD LYS A 97 10.150 -3.060 10.764 1.00 0.82 C ATOM 1422 CE LYS A 97 8.668 -2.943 11.098 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.449 -2.374 12.458 1.00 1.74 N ATOM 0 H LYS A 97 10.497 -5.146 6.585 1.00 0.48 H new ATOM 0 HA LYS A 97 12.163 -3.779 7.131 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.137 -4.834 9.953 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.460 -3.206 9.388 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.056 -3.060 8.622 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.771 -4.628 9.351 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.653 -3.632 11.544 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.599 -2.067 10.758 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.177 -2.312 10.357 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.203 -3.927 11.037 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.428 -2.310 12.648 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.895 -2.989 13.168 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.870 -1.425 12.509 1.00 1.74 H new ATOM 1437 N ASP A 98 13.858 -5.591 6.527 1.00 0.35 N ATOM 1438 CA ASP A 98 15.011 -6.427 6.253 1.00 0.43 C ATOM 1439 C ASP A 98 16.256 -5.593 5.948 1.00 0.39 C ATOM 1440 O ASP A 98 17.381 -6.064 6.119 1.00 0.63 O ATOM 1441 CB ASP A 98 14.683 -7.349 5.073 1.00 0.69 C ATOM 1442 CG ASP A 98 13.999 -6.590 3.953 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.530 -5.563 3.550 1.00 1.35 O ATOM 1444 OD2 ASP A 98 12.908 -6.998 3.496 1.00 1.51 O ATOM 0 H ASP A 98 13.419 -5.202 5.693 1.00 0.35 H new ATOM 0 HA ASP A 98 15.233 -7.019 7.141 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.600 -7.805 4.699 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.039 -8.161 5.411 1.00 0.69 H new ATOM 1449 N GLY A 99 16.053 -4.350 5.528 1.00 0.29 N ATOM 1450 CA GLY A 99 17.170 -3.508 5.134 1.00 0.29 C ATOM 1451 C GLY A 99 17.238 -3.304 3.635 1.00 0.24 C ATOM 1452 O GLY A 99 18.224 -2.782 3.114 1.00 0.27 O ATOM 0 H GLY A 99 15.136 -3.909 5.453 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.083 -2.539 5.626 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.101 -3.958 5.479 1.00 0.29 H new ATOM 1456 N LEU A 100 16.191 -3.733 2.949 1.00 0.23 N ATOM 1457 CA LEU A 100 16.048 -3.548 1.518 1.00 0.21 C ATOM 1458 C LEU A 100 14.569 -3.399 1.168 1.00 0.24 C ATOM 1459 O LEU A 100 13.713 -3.446 2.046 1.00 0.38 O ATOM 1460 CB LEU A 100 16.690 -4.723 0.760 1.00 0.27 C ATOM 1461 CG LEU A 100 16.259 -6.125 1.202 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.913 -6.504 0.603 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.312 -7.146 0.822 1.00 0.54 C ATOM 0 H LEU A 100 15.408 -4.226 3.378 1.00 0.23 H new ATOM 0 HA LEU A 100 16.567 -2.639 1.214 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.463 -4.612 -0.300 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.772 -4.648 0.864 1.00 0.27 H new ATOM 0 HG LEU A 100 16.153 -6.116 2.287 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.635 -7.504 0.936 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.156 -5.790 0.928 1.00 0.41 H new ATOM 0 HD13 LEU A 100 14.982 -6.490 -0.485 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.991 -8.137 1.143 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.449 -7.142 -0.259 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.255 -6.895 1.309 1.00 0.54 H new ATOM 1475 N LEU A 101 14.281 -3.194 -0.105 1.00 0.20 N ATOM 1476 CA LEU A 101 12.908 -3.102 -0.579 1.00 0.20 C ATOM 1477 C LEU A 101 12.824 -3.674 -1.995 1.00 0.17 C ATOM 1478 O LEU A 101 13.547 -3.233 -2.886 1.00 0.18 O ATOM 1479 CB LEU A 101 12.422 -1.641 -0.578 1.00 0.24 C ATOM 1480 CG LEU A 101 12.240 -0.975 0.798 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.815 0.474 0.637 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.214 -1.710 1.635 1.00 0.58 C ATOM 0 H LEU A 101 14.985 -3.087 -0.836 1.00 0.20 H new ATOM 0 HA LEU A 101 12.267 -3.674 0.092 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.131 -1.046 -1.153 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.469 -1.599 -1.105 1.00 0.24 H new ATOM 0 HG LEU A 101 13.201 -1.016 1.310 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.691 0.928 1.620 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.578 1.017 0.080 1.00 0.68 H new ATOM 0 HD13 LEU A 101 10.870 0.518 0.095 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.109 -1.214 2.600 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.254 -1.707 1.119 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.540 -2.739 1.789 1.00 0.58 H new ATOM 1494 N ASP A 102 11.983 -4.676 -2.208 1.00 0.16 N ATOM 1495 CA ASP A 102 11.789 -5.224 -3.552 1.00 0.17 C ATOM 1496 C ASP A 102 10.956 -4.261 -4.404 1.00 0.16 C ATOM 1497 O ASP A 102 10.669 -3.146 -3.980 1.00 0.16 O ATOM 1498 CB ASP A 102 11.141 -6.613 -3.509 1.00 0.25 C ATOM 1499 CG ASP A 102 9.622 -6.579 -3.559 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.009 -6.121 -2.575 1.00 1.40 O ATOM 1501 OD2 ASP A 102 9.035 -7.000 -4.575 1.00 1.50 O ATOM 0 H ASP A 102 11.428 -5.125 -1.480 1.00 0.16 H new ATOM 0 HA ASP A 102 12.771 -5.338 -4.011 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.510 -7.203 -4.348 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.455 -7.123 -2.598 1.00 0.25 H new ATOM 1506 N ASP A 103 10.595 -4.679 -5.607 1.00 0.18 N ATOM 1507 CA ASP A 103 9.852 -3.819 -6.530 1.00 0.19 C ATOM 1508 C ASP A 103 8.512 -3.384 -5.932 1.00 0.16 C ATOM 1509 O ASP A 103 8.068 -2.245 -6.125 1.00 0.17 O ATOM 1510 CB ASP A 103 9.649 -4.547 -7.863 1.00 0.28 C ATOM 1511 CG ASP A 103 8.698 -5.731 -7.789 1.00 0.97 C ATOM 1512 OD1 ASP A 103 7.470 -5.531 -7.896 1.00 1.65 O ATOM 1513 OD2 ASP A 103 9.179 -6.873 -7.659 1.00 1.73 O ATOM 0 H ASP A 103 10.802 -5.609 -5.972 1.00 0.18 H new ATOM 0 HA ASP A 103 10.434 -2.914 -6.706 1.00 0.19 H new ATOM 0 HB2 ASP A 103 9.270 -3.837 -8.598 1.00 0.28 H new ATOM 0 HB3 ASP A 103 10.617 -4.895 -8.225 1.00 0.28 H new ATOM 1518 N GLU A 104 7.904 -4.259 -5.152 1.00 0.18 N ATOM 1519 CA GLU A 104 6.630 -3.945 -4.530 1.00 0.23 C ATOM 1520 C GLU A 104 6.840 -3.211 -3.206 1.00 0.19 C ATOM 1521 O GLU A 104 6.042 -2.348 -2.825 1.00 0.22 O ATOM 1522 CB GLU A 104 5.813 -5.208 -4.304 1.00 0.33 C ATOM 1523 CG GLU A 104 4.348 -4.919 -4.049 1.00 0.65 C ATOM 1524 CD GLU A 104 3.583 -6.158 -3.668 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.552 -6.500 -2.467 1.00 2.14 O ATOM 1526 OE2 GLU A 104 3.005 -6.787 -4.572 1.00 1.68 O ATOM 0 H GLU A 104 8.268 -5.187 -4.935 1.00 0.18 H new ATOM 0 HA GLU A 104 6.079 -3.292 -5.207 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.905 -5.856 -5.176 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.224 -5.755 -3.456 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.258 -4.179 -3.253 1.00 0.65 H new ATOM 0 HG3 GLU A 104 3.905 -4.481 -4.943 1.00 0.65 H new ATOM 1533 N GLU A 105 7.909 -3.557 -2.507 1.00 0.18 N ATOM 1534 CA GLU A 105 8.292 -2.848 -1.294 1.00 0.17 C ATOM 1535 C GLU A 105 8.615 -1.383 -1.608 1.00 0.17 C ATOM 1536 O GLU A 105 8.269 -0.480 -0.842 1.00 0.22 O ATOM 1537 CB GLU A 105 9.486 -3.538 -0.647 1.00 0.19 C ATOM 1538 CG GLU A 105 9.146 -4.290 0.637 1.00 0.26 C ATOM 1539 CD GLU A 105 10.242 -5.271 1.058 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.110 -5.590 0.228 1.00 0.81 O ATOM 1541 OE2 GLU A 105 10.259 -5.711 2.241 1.00 1.11 O ATOM 0 H GLU A 105 8.529 -4.327 -2.759 1.00 0.18 H new ATOM 0 HA GLU A 105 7.457 -2.866 -0.594 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.920 -4.237 -1.362 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.249 -2.792 -0.428 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.980 -3.572 1.440 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.212 -4.834 0.497 1.00 0.26 H new ATOM 1548 N PHE A 106 9.276 -1.157 -2.746 1.00 0.16 N ATOM 1549 CA PHE A 106 9.525 0.191 -3.249 1.00 0.16 C ATOM 1550 C PHE A 106 8.184 0.843 -3.543 1.00 0.16 C ATOM 1551 O PHE A 106 7.950 1.998 -3.187 1.00 0.18 O ATOM 1552 CB PHE A 106 10.401 0.141 -4.518 1.00 0.19 C ATOM 1553 CG PHE A 106 10.865 1.484 -5.056 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.121 2.641 -4.889 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.063 1.579 -5.736 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.567 3.854 -5.376 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.514 2.784 -6.223 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.765 3.922 -6.047 1.00 0.28 C ATOM 0 H PHE A 106 9.650 -1.898 -3.339 1.00 0.16 H new ATOM 0 HA PHE A 106 10.064 0.776 -2.503 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.280 -0.467 -4.306 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.842 -0.370 -5.302 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.176 2.593 -4.369 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.657 0.690 -5.888 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.976 4.746 -5.230 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.458 2.835 -6.744 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.116 4.867 -6.434 1.00 0.28 H new ATOM 1568 N ALA A 107 7.297 0.078 -4.166 1.00 0.16 N ATOM 1569 CA ALA A 107 5.954 0.553 -4.464 1.00 0.16 C ATOM 1570 C ALA A 107 5.291 1.141 -3.216 1.00 0.16 C ATOM 1571 O ALA A 107 4.734 2.242 -3.261 1.00 0.18 O ATOM 1572 CB ALA A 107 5.110 -0.571 -5.043 1.00 0.19 C ATOM 0 H ALA A 107 7.485 -0.876 -4.475 1.00 0.16 H new ATOM 0 HA ALA A 107 6.030 1.346 -5.208 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.109 -0.199 -5.260 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.569 -0.935 -5.962 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.046 -1.386 -4.322 1.00 0.19 H new ATOM 1578 N LEU A 108 5.372 0.417 -2.104 1.00 0.18 N ATOM 1579 CA LEU A 108 4.808 0.889 -0.844 1.00 0.22 C ATOM 1580 C LEU A 108 5.577 2.111 -0.353 1.00 0.19 C ATOM 1581 O LEU A 108 4.979 3.137 -0.028 1.00 0.20 O ATOM 1582 CB LEU A 108 4.847 -0.220 0.212 1.00 0.34 C ATOM 1583 CG LEU A 108 3.735 -0.160 1.270 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.749 -1.409 2.121 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.860 1.059 2.158 1.00 1.23 C ATOM 0 H LEU A 108 5.822 -0.497 -2.050 1.00 0.18 H new ATOM 0 HA LEU A 108 3.768 1.168 -1.012 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.792 -1.183 -0.295 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.811 -0.182 0.720 1.00 0.34 H new ATOM 0 HG LEU A 108 2.788 -0.090 0.735 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.955 -1.351 2.866 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.590 -2.282 1.488 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.712 -1.496 2.624 1.00 1.22 H new ATOM 0 HD21 LEU A 108 3.053 1.060 2.891 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.819 1.036 2.675 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.798 1.961 1.549 1.00 1.23 H new ATOM 1597 N ALA A 109 6.905 1.990 -0.304 1.00 0.19 N ATOM 1598 CA ALA A 109 7.776 3.085 0.147 1.00 0.19 C ATOM 1599 C ALA A 109 7.466 4.416 -0.549 1.00 0.19 C ATOM 1600 O ALA A 109 7.162 5.413 0.110 1.00 0.20 O ATOM 1601 CB ALA A 109 9.233 2.722 -0.074 1.00 0.22 C ATOM 0 H ALA A 109 7.405 1.142 -0.572 1.00 0.19 H new ATOM 0 HA ALA A 109 7.582 3.221 1.211 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.867 3.541 0.264 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.473 1.821 0.490 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.406 2.543 -1.135 1.00 0.22 H new ATOM 1607 N ASN A 110 7.533 4.421 -1.880 1.00 0.19 N ATOM 1608 CA ASN A 110 7.335 5.630 -2.671 1.00 0.19 C ATOM 1609 C ASN A 110 5.894 6.093 -2.537 1.00 0.20 C ATOM 1610 O ASN A 110 5.594 7.285 -2.625 1.00 0.23 O ATOM 1611 CB ASN A 110 7.668 5.358 -4.144 1.00 0.21 C ATOM 1612 CG ASN A 110 7.943 6.615 -4.971 1.00 0.29 C ATOM 1613 OD1 ASN A 110 8.724 6.576 -5.918 1.00 1.18 O ATOM 1614 ND2 ASN A 110 7.308 7.729 -4.636 1.00 1.11 N ATOM 0 H ASN A 110 7.726 3.588 -2.437 1.00 0.19 H new ATOM 0 HA ASN A 110 7.999 6.412 -2.304 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.541 4.707 -4.193 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.839 4.814 -4.597 1.00 0.21 H new ATOM 0 HD21 ASN A 110 7.462 8.584 -5.170 1.00 1.11 H new ATOM 0 HD22 ASN A 110 6.665 7.731 -3.844 1.00 1.11 H new ATOM 1621 N HIS A 111 4.998 5.144 -2.311 1.00 0.23 N ATOM 1622 CA HIS A 111 3.590 5.469 -2.151 1.00 0.25 C ATOM 1623 C HIS A 111 3.382 6.239 -0.863 1.00 0.24 C ATOM 1624 O HIS A 111 2.645 7.213 -0.832 1.00 0.26 O ATOM 1625 CB HIS A 111 2.727 4.208 -2.150 1.00 0.30 C ATOM 1626 CG HIS A 111 1.256 4.496 -2.178 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.577 4.788 -3.336 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.338 4.540 -1.184 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.693 5.002 -3.059 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.873 4.866 -1.757 1.00 0.47 N ATOM 0 H HIS A 111 5.219 4.151 -2.235 1.00 0.23 H new ATOM 0 HA HIS A 111 3.286 6.086 -2.997 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.987 3.597 -3.015 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.958 3.619 -1.263 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.992 4.832 -4.267 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.520 4.354 -0.136 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.461 5.248 -3.778 1.00 0.49 H new ATOM 1639 N LEU A 112 4.042 5.791 0.197 1.00 0.25 N ATOM 1640 CA LEU A 112 3.989 6.473 1.482 1.00 0.28 C ATOM 1641 C LEU A 112 4.605 7.862 1.377 1.00 0.25 C ATOM 1642 O LEU A 112 4.158 8.806 2.029 1.00 0.27 O ATOM 1643 CB LEU A 112 4.711 5.652 2.550 1.00 0.35 C ATOM 1644 CG LEU A 112 3.970 4.405 3.039 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.765 3.723 4.137 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.576 4.768 3.532 1.00 0.54 C ATOM 0 H LEU A 112 4.623 4.953 0.191 1.00 0.25 H new ATOM 0 HA LEU A 112 2.944 6.580 1.771 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.679 5.345 2.154 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.907 6.296 3.407 1.00 0.35 H new ATOM 0 HG LEU A 112 3.864 3.713 2.204 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.229 2.837 4.478 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.741 3.430 3.751 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.896 4.411 4.972 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.066 3.868 3.875 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.655 5.477 4.356 1.00 0.54 H new ATOM 0 HD23 LEU A 112 2.008 5.219 2.718 1.00 0.54 H new ATOM 1658 N ILE A 113 5.635 7.979 0.547 1.00 0.26 N ATOM 1659 CA ILE A 113 6.246 9.270 0.265 1.00 0.26 C ATOM 1660 C ILE A 113 5.231 10.213 -0.378 1.00 0.26 C ATOM 1661 O ILE A 113 5.080 11.356 0.054 1.00 0.32 O ATOM 1662 CB ILE A 113 7.479 9.124 -0.649 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.587 8.389 0.097 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.971 10.482 -1.129 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.779 8.028 -0.767 1.00 0.81 C ATOM 0 H ILE A 113 6.064 7.194 0.058 1.00 0.26 H new ATOM 0 HA ILE A 113 6.575 9.692 1.215 1.00 0.26 H new ATOM 0 HB ILE A 113 7.192 8.546 -1.527 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.927 9.010 0.925 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.176 7.477 0.530 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.841 10.347 -1.771 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.179 10.978 -1.690 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.246 11.094 -0.270 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.522 7.508 -0.163 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.455 7.379 -1.581 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.218 8.936 -1.180 1.00 0.81 H new ATOM 1677 N LYS A 114 4.518 9.741 -1.403 1.00 0.25 N ATOM 1678 CA LYS A 114 3.497 10.585 -2.024 1.00 0.31 C ATOM 1679 C LYS A 114 2.278 10.733 -1.111 1.00 0.32 C ATOM 1680 O LYS A 114 1.520 11.686 -1.242 1.00 0.41 O ATOM 1681 CB LYS A 114 3.088 10.117 -3.433 1.00 0.45 C ATOM 1682 CG LYS A 114 2.446 8.743 -3.516 1.00 0.86 C ATOM 1683 CD LYS A 114 1.783 8.529 -4.872 1.00 1.30 C ATOM 1684 CE LYS A 114 2.752 8.790 -6.018 1.00 1.59 C ATOM 1685 NZ LYS A 114 2.102 8.667 -7.352 1.00 2.22 N ATOM 0 H LYS A 114 4.623 8.811 -1.809 1.00 0.25 H new ATOM 0 HA LYS A 114 3.953 11.566 -2.157 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.394 10.847 -3.850 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.974 10.121 -4.068 1.00 0.45 H new ATOM 0 HG2 LYS A 114 3.201 7.975 -3.352 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.705 8.636 -2.724 1.00 0.86 H new ATOM 0 HD2 LYS A 114 1.408 7.507 -4.937 1.00 1.30 H new ATOM 0 HD3 LYS A 114 0.922 9.191 -4.965 1.00 1.30 H new ATOM 0 HE2 LYS A 114 3.173 9.790 -5.913 1.00 1.59 H new ATOM 0 HE3 LYS A 114 3.582 8.086 -5.955 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 2.655 9.195 -8.057 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 2.058 7.665 -7.626 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 1.138 9.055 -7.306 1.00 2.22 H new ATOM 1699 N VAL A 115 2.107 9.802 -0.176 1.00 0.30 N ATOM 1700 CA VAL A 115 1.090 9.932 0.866 1.00 0.35 C ATOM 1701 C VAL A 115 1.344 11.177 1.705 1.00 0.35 C ATOM 1702 O VAL A 115 0.435 11.975 1.933 1.00 0.42 O ATOM 1703 CB VAL A 115 1.043 8.685 1.784 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.336 8.972 3.102 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.360 7.531 1.078 1.00 0.47 C ATOM 0 H VAL A 115 2.661 8.947 -0.118 1.00 0.30 H new ATOM 0 HA VAL A 115 0.125 10.020 0.367 1.00 0.35 H new ATOM 0 HB VAL A 115 2.075 8.415 2.009 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.327 8.070 3.714 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.863 9.765 3.633 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.689 9.287 2.904 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.336 6.664 1.738 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.659 7.816 0.817 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.911 7.282 0.171 1.00 0.47 H new ATOM 1715 N LYS A 116 2.584 11.370 2.148 1.00 0.35 N ATOM 1716 CA LYS A 116 2.906 12.548 2.923 1.00 0.45 C ATOM 1717 C LYS A 116 3.224 13.718 2.002 1.00 0.48 C ATOM 1718 O LYS A 116 3.518 14.824 2.455 1.00 0.63 O ATOM 1719 CB LYS A 116 4.060 12.278 3.864 1.00 0.59 C ATOM 1720 CG LYS A 116 5.358 12.010 3.158 1.00 0.77 C ATOM 1721 CD LYS A 116 6.501 12.375 4.058 1.00 0.79 C ATOM 1722 CE LYS A 116 6.389 13.820 4.519 1.00 1.68 C ATOM 1723 NZ LYS A 116 6.329 14.787 3.385 1.00 1.91 N ATOM 0 H LYS A 116 3.364 10.734 1.984 1.00 0.35 H new ATOM 0 HA LYS A 116 2.036 12.809 3.526 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.186 13.134 4.527 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.814 11.422 4.492 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.422 10.958 2.879 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.409 12.588 2.235 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.513 11.713 4.924 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.444 12.229 3.532 1.00 0.79 H new ATOM 0 HE2 LYS A 116 5.496 13.932 5.133 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.243 14.062 5.151 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.704 15.707 3.693 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.899 14.428 2.593 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 5.342 14.901 3.078 1.00 1.91 H new ATOM 1737 N LEU A 117 3.176 13.451 0.702 1.00 0.43 N ATOM 1738 CA LEU A 117 3.301 14.491 -0.306 1.00 0.53 C ATOM 1739 C LEU A 117 1.925 15.103 -0.561 1.00 0.60 C ATOM 1740 O LEU A 117 1.804 16.214 -1.080 1.00 0.73 O ATOM 1741 CB LEU A 117 3.874 13.918 -1.606 1.00 0.54 C ATOM 1742 CG LEU A 117 4.181 14.945 -2.690 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.320 15.848 -2.254 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.519 14.251 -3.996 1.00 1.17 C ATOM 0 H LEU A 117 3.050 12.513 0.321 1.00 0.43 H new ATOM 0 HA LEU A 117 3.985 15.260 0.054 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.790 13.376 -1.372 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.167 13.191 -2.006 1.00 0.54 H new ATOM 0 HG LEU A 117 3.295 15.560 -2.848 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.528 16.576 -3.038 1.00 1.28 H new ATOM 0 HD12 LEU A 117 5.041 16.370 -1.339 1.00 1.28 H new ATOM 0 HD13 LEU A 117 6.211 15.247 -2.071 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.736 14.998 -4.760 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.392 13.614 -3.854 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.673 13.642 -4.314 1.00 1.17 H new ATOM 1756 N GLU A 118 0.884 14.357 -0.184 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.483 14.859 -0.228 1.00 0.70 C ATOM 1758 C GLU A 118 -0.655 15.962 0.812 1.00 0.79 C ATOM 1759 O GLU A 118 -1.595 16.753 0.758 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.482 13.722 0.017 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.435 12.634 -1.053 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.378 11.478 -0.783 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.564 11.567 -1.164 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -1.936 10.478 -0.178 1.00 1.78 O ATOM 0 H GLU A 118 0.967 13.399 0.156 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.681 15.271 -1.217 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.280 13.274 0.990 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.489 14.136 0.060 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.681 13.075 -2.019 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.417 12.252 -1.127 1.00 0.78 H new ATOM 1771 N GLY A 119 0.284 16.020 1.749 1.00 0.75 N ATOM 1772 CA GLY A 119 0.299 17.082 2.728 1.00 0.86 C ATOM 1773 C GLY A 119 0.079 16.568 4.129 1.00 0.87 C ATOM 1774 O GLY A 119 0.441 17.233 5.102 1.00 1.01 O ATOM 0 H GLY A 119 1.040 15.342 1.845 1.00 0.75 H new ATOM 0 HA2 GLY A 119 1.254 17.604 2.680 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.475 17.810 2.484 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.490 15.377 4.232 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.736 14.768 5.525 1.00 0.84 C ATOM 1780 C HIS A 120 0.361 13.756 5.837 1.00 0.81 C ATOM 1781 O HIS A 120 0.812 13.026 4.955 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.129 14.112 5.566 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.171 12.680 5.115 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.328 11.634 5.994 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.075 12.122 3.884 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.324 10.498 5.331 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.180 10.764 4.044 1.00 0.87 N ATOM 0 H HIS A 120 -0.789 14.815 3.435 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.718 15.544 6.290 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.510 14.167 6.586 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.806 14.694 4.941 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.432 11.725 7.005 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -1.941 12.649 2.951 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.422 9.514 5.765 1.00 0.83 H new ATOM 1796 N GLU A 121 0.807 13.743 7.079 1.00 0.93 N ATOM 1797 CA GLU A 121 1.855 12.824 7.512 1.00 1.01 C ATOM 1798 C GLU A 121 1.327 11.395 7.631 1.00 0.79 C ATOM 1799 O GLU A 121 0.117 11.161 7.663 1.00 0.71 O ATOM 1800 CB GLU A 121 2.451 13.259 8.854 1.00 1.31 C ATOM 1801 CG GLU A 121 1.537 12.993 10.046 1.00 1.55 C ATOM 1802 CD GLU A 121 2.260 13.099 11.375 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.424 12.650 11.465 1.00 2.75 O ATOM 1804 OE2 GLU A 121 1.675 13.652 12.332 1.00 2.52 O ATOM 0 H GLU A 121 0.461 14.360 7.813 1.00 0.93 H new ATOM 0 HA GLU A 121 2.635 12.849 6.751 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.396 12.737 9.008 1.00 1.31 H new ATOM 0 HB3 GLU A 121 2.678 14.324 8.812 1.00 1.31 H new ATOM 0 HG2 GLU A 121 0.710 13.703 10.030 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.104 11.997 9.951 1.00 1.55 H new ATOM 1811 N LEU A 122 2.255 10.447 7.692 1.00 0.92 N ATOM 1812 CA LEU A 122 1.911 9.042 7.842 1.00 0.87 C ATOM 1813 C LEU A 122 1.432 8.761 9.262 1.00 0.82 C ATOM 1814 O LEU A 122 1.995 9.284 10.229 1.00 0.95 O ATOM 1815 CB LEU A 122 3.108 8.142 7.533 1.00 1.18 C ATOM 1816 CG LEU A 122 3.730 8.302 6.145 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.673 9.500 6.087 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.457 7.027 5.763 1.00 2.70 C ATOM 0 H LEU A 122 3.257 10.630 7.639 1.00 0.92 H new ATOM 0 HA LEU A 122 1.112 8.823 7.133 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.880 8.330 8.279 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.797 7.104 7.652 1.00 1.18 H new ATOM 0 HG LEU A 122 2.929 8.488 5.429 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.096 9.582 5.086 1.00 2.45 H new ATOM 0 HD12 LEU A 122 4.121 10.410 6.323 1.00 2.45 H new ATOM 0 HD13 LEU A 122 5.477 9.366 6.811 1.00 2.45 H new ATOM 0 HD21 LEU A 122 4.900 7.143 4.774 1.00 2.70 H new ATOM 0 HD22 LEU A 122 5.243 6.824 6.491 1.00 2.70 H new ATOM 0 HD23 LEU A 122 3.752 6.196 5.750 1.00 2.70 H new ATOM 1830 N PRO A 123 0.418 7.895 9.400 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.240 7.628 10.673 1.00 0.88 C ATOM 1832 C PRO A 123 0.419 6.508 11.477 1.00 0.92 C ATOM 1833 O PRO A 123 -0.039 6.177 12.568 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.647 7.221 10.235 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.472 6.580 8.894 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.182 7.106 8.306 1.00 0.79 C ATOM 0 HA PRO A 123 -0.200 8.488 11.341 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.096 6.528 10.947 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.306 8.087 10.174 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.436 5.495 8.989 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.314 6.815 8.243 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.474 6.293 7.994 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.367 7.722 7.426 1.00 0.79 H new ATOM 1844 N ALA A 124 1.487 5.928 10.929 1.00 0.89 N ATOM 1845 CA ALA A 124 2.195 4.825 11.581 1.00 1.09 C ATOM 1846 C ALA A 124 1.269 3.623 11.776 1.00 1.10 C ATOM 1847 O ALA A 124 1.449 2.814 12.687 1.00 1.27 O ATOM 1848 CB ALA A 124 2.790 5.278 12.911 1.00 1.34 C ATOM 0 H ALA A 124 1.883 6.205 10.031 1.00 0.89 H new ATOM 0 HA ALA A 124 3.014 4.515 10.932 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.312 4.443 13.379 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.492 6.093 12.737 1.00 1.34 H new ATOM 0 HB3 ALA A 124 1.991 5.622 13.569 1.00 1.34 H new ATOM 1854 N ASP A 125 0.285 3.513 10.897 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.651 2.400 10.922 1.00 1.03 C ATOM 1856 C ASP A 125 -0.751 1.802 9.530 1.00 0.87 C ATOM 1857 O ASP A 125 -0.983 2.522 8.558 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.029 2.868 11.398 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.005 1.721 11.586 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.672 0.774 12.329 1.00 2.36 O ATOM 1861 OD2 ASP A 125 -4.105 1.764 10.997 1.00 2.14 O ATOM 0 H ASP A 125 0.113 4.187 10.151 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.291 1.643 11.619 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -1.920 3.405 12.340 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.438 3.573 10.675 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.539 0.499 9.433 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.573 -0.183 8.149 1.00 0.73 C ATOM 1868 C LEU A 126 -1.891 -0.943 8.018 1.00 0.76 C ATOM 1869 O LEU A 126 -2.072 -2.001 8.625 1.00 0.86 O ATOM 1870 CB LEU A 126 0.633 -1.130 8.027 1.00 0.75 C ATOM 1871 CG LEU A 126 1.077 -1.499 6.600 1.00 0.94 C ATOM 1872 CD1 LEU A 126 0.042 -2.362 5.895 1.00 1.67 C ATOM 1873 CD2 LEU A 126 1.357 -0.239 5.794 1.00 1.83 C ATOM 0 H LEU A 126 -0.341 -0.108 10.229 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.510 0.544 7.339 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.479 -0.672 8.540 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.398 -2.051 8.560 1.00 0.75 H new ATOM 0 HG LEU A 126 1.994 -2.083 6.677 1.00 0.94 H new ATOM 0 HD11 LEU A 126 0.391 -2.602 4.891 1.00 1.67 H new ATOM 0 HD12 LEU A 126 -0.107 -3.284 6.457 1.00 1.67 H new ATOM 0 HD13 LEU A 126 -0.901 -1.820 5.831 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.670 -0.514 4.787 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.453 0.367 5.740 1.00 1.83 H new ATOM 0 HD23 LEU A 126 2.149 0.333 6.277 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.835 -0.400 7.235 1.00 0.77 N ATOM 1886 CA PRO A 127 -4.167 -0.968 7.071 1.00 0.89 C ATOM 1887 C PRO A 127 -4.229 -2.017 5.953 1.00 0.85 C ATOM 1888 O PRO A 127 -3.331 -2.093 5.115 1.00 0.77 O ATOM 1889 CB PRO A 127 -5.024 0.258 6.711 1.00 1.00 C ATOM 1890 CG PRO A 127 -4.072 1.390 6.454 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.685 0.815 6.443 1.00 0.78 C ATOM 0 HA PRO A 127 -4.500 -1.497 7.964 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.634 0.058 5.830 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.708 0.504 7.523 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.296 1.871 5.502 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.165 2.153 7.227 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.344 0.599 5.430 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.960 1.499 6.884 1.00 0.78 H new ATOM 1899 N PRO A 128 -5.307 -2.829 5.926 1.00 0.99 N ATOM 1900 CA PRO A 128 -5.492 -3.901 4.931 1.00 1.06 C ATOM 1901 C PRO A 128 -5.429 -3.407 3.486 1.00 1.01 C ATOM 1902 O PRO A 128 -5.079 -4.158 2.582 1.00 1.15 O ATOM 1903 CB PRO A 128 -6.892 -4.456 5.240 1.00 1.27 C ATOM 1904 CG PRO A 128 -7.537 -3.433 6.111 1.00 1.34 C ATOM 1905 CD PRO A 128 -6.422 -2.794 6.882 1.00 1.15 C ATOM 0 HA PRO A 128 -4.694 -4.640 5.006 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -7.464 -4.611 4.325 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -6.830 -5.420 5.745 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -8.074 -2.695 5.516 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -8.264 -3.892 6.781 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.668 -1.775 7.180 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -6.192 -3.346 7.793 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.760 -2.140 3.265 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.703 -1.583 1.916 1.00 0.96 C ATOM 1915 C HIS A 129 -4.309 -1.058 1.593 1.00 0.94 C ATOM 1916 O HIS A 129 -4.165 -0.195 0.739 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.748 -0.469 1.699 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.793 0.597 2.760 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.790 0.674 3.711 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -5.975 1.652 2.998 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.583 1.726 4.483 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.485 2.336 4.074 1.00 1.48 N ATOM 0 H HIS A 129 -6.066 -1.488 3.987 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.939 -2.400 1.235 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.550 0.008 0.739 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.734 -0.929 1.630 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.085 1.908 2.443 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -8.206 2.035 5.309 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.082 3.176 4.489 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.294 -1.570 2.282 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.908 -1.215 1.989 1.00 0.69 C ATOM 1933 C LEU A 130 -0.966 -2.368 2.313 1.00 0.69 C ATOM 1934 O LEU A 130 0.244 -2.175 2.382 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.478 0.003 2.798 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.229 1.292 2.006 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -2.509 2.088 1.832 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.165 2.139 2.682 1.00 1.29 C ATOM 0 H LEU A 130 -3.405 -2.233 3.049 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.853 -0.989 0.924 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.244 0.204 3.547 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.565 -0.249 3.337 1.00 0.75 H new ATOM 0 HG LEU A 130 -0.872 1.010 1.016 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.299 2.996 1.267 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.241 1.486 1.293 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -2.908 2.354 2.811 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -0.003 3.049 2.104 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -0.493 2.401 3.688 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.766 1.575 2.740 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.512 -3.563 2.503 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.691 -4.712 2.870 1.00 0.84 C ATOM 1952 C VAL A 131 -0.046 -5.344 1.633 1.00 0.76 C ATOM 1953 O VAL A 131 -0.725 -5.922 0.783 1.00 0.76 O ATOM 1954 CB VAL A 131 -1.488 -5.775 3.676 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -2.723 -6.252 2.925 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -0.600 -6.957 4.041 1.00 1.59 C ATOM 0 H VAL A 131 -2.508 -3.762 2.411 1.00 0.76 H new ATOM 0 HA VAL A 131 0.099 -4.339 3.522 1.00 0.84 H new ATOM 0 HB VAL A 131 -1.826 -5.293 4.593 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -3.250 -6.994 3.525 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -3.382 -5.405 2.734 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -2.423 -6.699 1.977 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -1.180 -7.688 4.605 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -0.219 -7.420 3.131 1.00 1.59 H new ATOM 0 HG23 VAL A 131 0.236 -6.610 4.649 1.00 1.59 H new ATOM 1966 N PRO A 132 1.284 -5.223 1.514 1.00 0.78 N ATOM 1967 CA PRO A 132 2.026 -5.736 0.359 1.00 0.79 C ATOM 1968 C PRO A 132 1.950 -7.253 0.216 1.00 0.83 C ATOM 1969 O PRO A 132 2.333 -7.996 1.124 1.00 0.85 O ATOM 1970 CB PRO A 132 3.474 -5.308 0.631 1.00 0.90 C ATOM 1971 CG PRO A 132 3.533 -5.034 2.094 1.00 1.04 C ATOM 1972 CD PRO A 132 2.165 -4.558 2.487 1.00 0.88 C ATOM 0 HA PRO A 132 1.612 -5.346 -0.571 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.176 -6.093 0.349 1.00 0.90 H new ATOM 0 HB3 PRO A 132 3.738 -4.422 0.054 1.00 0.90 H new ATOM 0 HG2 PRO A 132 3.806 -5.932 2.647 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.287 -4.280 2.319 1.00 1.04 H new ATOM 0 HD2 PRO A 132 1.919 -4.840 3.511 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.084 -3.473 2.427 1.00 0.88 H new