USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 Single : A 1 LYS N :NH3+ -163:sc= -0.0258 (180deg=-0.485) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0623 K(o=-0.062,f=-2.3!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 7 MET CE :methyl -170:sc= -8.13! (180deg=-8.54!) USER MOD Single : A 9 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-5.2!) USER MOD Single : A 12 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 15 MET CE :methyl -152:sc= -0.581 (180deg=-2.31!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0521) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 SER OG : rot -57:sc= 0.309 USER MOD Single : A 36 MET CE :methyl 129:sc= -0.143 (180deg=-0.814) USER MOD Single : A 39 ASN : amide:sc= -9.77! C(o=-9.8!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.0955 (180deg=-0.225) USER MOD Single : A 43 THR OG1 : rot -73:sc= -0.479! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.274 (180deg=-1.52!) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.824) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.850 12.374 -3.882 1.00 0.00 N ATOM 2 CA LYS A 1 -7.077 11.221 -2.965 1.00 0.00 C ATOM 3 C LYS A 1 -7.984 11.657 -1.812 1.00 0.00 C ATOM 4 O LYS A 1 -8.845 10.921 -1.374 1.00 0.00 O ATOM 5 CB LYS A 1 -5.736 10.742 -2.407 1.00 0.00 C ATOM 6 CG LYS A 1 -4.863 10.222 -3.551 1.00 0.00 C ATOM 7 CD LYS A 1 -3.574 9.629 -2.981 1.00 0.00 C ATOM 8 CE LYS A 1 -2.653 9.211 -4.129 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.466 7.733 -4.103 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.489 12.027 -4.793 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.747 12.878 -4.034 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.156 13.023 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.553 10.408 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.231 11.560 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.897 9.954 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.403 9.465 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.629 11.033 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.073 10.361 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.804 8.768 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.082 9.517 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.689 9.712 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.840 7.449 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.039 7.453 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.388 7.264 -4.211 1.00 0.00 H new ATOM 10 N ASN A 2 -7.797 12.850 -1.316 1.00 0.00 N ATOM 11 CA ASN A 2 -8.649 13.332 -0.193 1.00 0.00 C ATOM 12 C ASN A 2 -10.119 13.279 -0.610 1.00 0.00 C ATOM 13 O ASN A 2 -10.993 13.011 0.192 1.00 0.00 O ATOM 14 CB ASN A 2 -8.268 14.773 0.154 1.00 0.00 C ATOM 15 CG ASN A 2 -8.906 15.161 1.488 1.00 0.00 C ATOM 16 OD1 ASN A 2 -9.355 14.311 2.232 1.00 0.00 O ATOM 17 ND2 ASN A 2 -8.969 16.421 1.826 1.00 0.00 N ATOM 0 H ASN A 2 -7.091 13.511 -1.640 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.496 12.696 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.184 14.869 0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.604 15.449 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.394 16.690 2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.593 17.136 1.203 1.00 0.00 H new ATOM 18 N GLU A 3 -10.401 13.533 -1.858 1.00 0.00 N ATOM 19 CA GLU A 3 -11.816 13.496 -2.325 1.00 0.00 C ATOM 20 C GLU A 3 -12.350 12.067 -2.225 1.00 0.00 C ATOM 21 O GLU A 3 -13.523 11.846 -1.996 1.00 0.00 O ATOM 22 CB GLU A 3 -11.885 13.966 -3.780 1.00 0.00 C ATOM 23 CG GLU A 3 -11.455 15.433 -3.863 1.00 0.00 C ATOM 24 CD GLU A 3 -11.588 15.922 -5.306 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.834 15.097 -6.170 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.442 17.114 -5.523 1.00 0.00 O ATOM 0 H GLU A 3 -9.713 13.765 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.421 14.154 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.237 13.350 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.899 13.851 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.073 16.042 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.424 15.541 -3.525 1.00 0.00 H new ATOM 27 N ASP A 4 -11.499 11.092 -2.396 1.00 0.00 N ATOM 28 CA ASP A 4 -11.961 9.677 -2.310 1.00 0.00 C ATOM 29 C ASP A 4 -12.505 9.403 -0.907 1.00 0.00 C ATOM 30 O ASP A 4 -13.340 8.541 -0.713 1.00 0.00 O ATOM 31 CB ASP A 4 -10.786 8.739 -2.595 1.00 0.00 C ATOM 32 CG ASP A 4 -10.222 9.035 -3.986 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.935 9.628 -4.779 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.087 8.663 -4.236 1.00 0.00 O ATOM 0 H ASP A 4 -10.505 11.214 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.748 9.506 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.010 8.871 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.113 7.701 -2.537 1.00 0.00 H new ATOM 35 N GLN A 5 -12.040 10.128 0.074 1.00 0.00 N ATOM 36 CA GLN A 5 -12.534 9.905 1.462 1.00 0.00 C ATOM 37 C GLN A 5 -14.005 10.317 1.552 1.00 0.00 C ATOM 38 O GLN A 5 -14.732 9.874 2.418 1.00 0.00 O ATOM 39 CB GLN A 5 -11.709 10.747 2.439 1.00 0.00 C ATOM 40 CG GLN A 5 -12.200 10.498 3.866 1.00 0.00 C ATOM 41 CD GLN A 5 -11.389 11.354 4.841 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.495 12.073 4.438 1.00 0.00 O ATOM 43 NE2 GLN A 5 -11.665 11.309 6.115 1.00 0.00 N ATOM 0 H GLN A 5 -11.341 10.864 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.435 8.850 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.653 10.490 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.800 11.805 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.259 10.742 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.096 9.443 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.415 10.706 6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.131 11.877 6.773 1.00 0.00 H new ATOM 44 N GLU A 6 -14.449 11.162 0.661 1.00 0.00 N ATOM 45 CA GLU A 6 -15.873 11.601 0.695 1.00 0.00 C ATOM 46 C GLU A 6 -16.763 10.483 0.149 1.00 0.00 C ATOM 47 O GLU A 6 -17.906 10.342 0.536 1.00 0.00 O ATOM 48 CB GLU A 6 -16.040 12.853 -0.168 1.00 0.00 C ATOM 49 CG GLU A 6 -15.282 14.018 0.473 1.00 0.00 C ATOM 50 CD GLU A 6 -15.495 15.285 -0.358 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.069 15.178 -1.429 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.080 16.340 0.091 1.00 0.00 O ATOM 0 H GLU A 6 -13.887 11.567 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.161 11.826 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.662 12.668 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.097 13.102 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.632 14.176 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.219 13.785 0.534 1.00 0.00 H new ATOM 53 N MET A 7 -16.248 9.685 -0.747 1.00 0.00 N ATOM 54 CA MET A 7 -17.066 8.576 -1.315 1.00 0.00 C ATOM 55 C MET A 7 -17.396 7.571 -0.213 1.00 0.00 C ATOM 56 O MET A 7 -18.416 6.911 -0.246 1.00 0.00 O ATOM 57 CB MET A 7 -16.278 7.871 -2.420 1.00 0.00 C ATOM 58 CG MET A 7 -16.068 8.826 -3.596 1.00 0.00 C ATOM 59 SD MET A 7 -17.670 9.440 -4.171 1.00 0.00 S ATOM 60 CE MET A 7 -18.425 7.829 -4.500 1.00 0.00 C ATOM 0 H MET A 7 -15.297 9.753 -1.110 1.00 0.00 H new ATOM 0 HA MET A 7 -17.988 8.984 -1.728 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.315 7.536 -2.035 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.815 6.983 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.435 9.660 -3.292 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.551 8.313 -4.407 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.365 7.970 -5.034 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.749 7.227 -5.107 1.00 0.00 H new ATOM 0 HE3 MET A 7 -18.617 7.318 -3.557 1.00 0.00 H new ATOM 61 N CYS A 8 -16.540 7.442 0.762 1.00 0.00 N ATOM 62 CA CYS A 8 -16.806 6.472 1.859 1.00 0.00 C ATOM 63 C CYS A 8 -17.999 6.950 2.687 1.00 0.00 C ATOM 64 O CYS A 8 -18.837 6.167 3.088 1.00 0.00 O ATOM 65 CB CYS A 8 -15.570 6.354 2.754 1.00 0.00 C ATOM 66 SG CYS A 8 -15.868 5.122 4.046 1.00 0.00 S ATOM 0 H CYS A 8 -15.669 7.966 0.846 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.033 5.496 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.703 6.068 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.342 7.320 3.205 1.00 0.00 H new ATOM 67 N HIS A 9 -18.088 8.227 2.940 1.00 0.00 N ATOM 68 CA HIS A 9 -19.235 8.748 3.735 1.00 0.00 C ATOM 69 C HIS A 9 -20.524 8.087 3.233 1.00 0.00 C ATOM 70 O HIS A 9 -21.363 7.670 4.007 1.00 0.00 O ATOM 71 CB HIS A 9 -19.318 10.273 3.563 1.00 0.00 C ATOM 72 CG HIS A 9 -20.711 10.757 3.872 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.795 10.433 3.072 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.211 11.536 4.885 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.884 11.009 3.612 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.584 11.693 4.719 1.00 0.00 N ATOM 0 H HIS A 9 -17.417 8.931 2.631 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.099 8.518 4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.601 10.760 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.048 10.546 2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.628 11.962 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.879 10.928 3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.224 12.218 5.315 1.00 0.00 H new ATOM 77 N GLU A 10 -20.683 7.991 1.942 1.00 0.00 N ATOM 78 CA GLU A 10 -21.911 7.361 1.383 1.00 0.00 C ATOM 79 C GLU A 10 -21.971 5.886 1.795 1.00 0.00 C ATOM 80 O GLU A 10 -23.036 5.334 1.988 1.00 0.00 O ATOM 81 CB GLU A 10 -21.885 7.463 -0.143 1.00 0.00 C ATOM 82 CG GLU A 10 -22.097 8.921 -0.560 1.00 0.00 C ATOM 83 CD GLU A 10 -22.286 8.996 -2.077 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.154 7.969 -2.721 1.00 0.00 O ATOM 85 OE2 GLU A 10 -22.558 10.079 -2.567 1.00 0.00 O ATOM 0 H GLU A 10 -20.013 8.323 1.248 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.789 7.878 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.932 7.099 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.664 6.833 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.970 9.332 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.241 9.525 -0.259 1.00 0.00 H new ATOM 86 N PHE A 11 -20.842 5.241 1.932 1.00 0.00 N ATOM 87 CA PHE A 11 -20.860 3.805 2.331 1.00 0.00 C ATOM 88 C PHE A 11 -20.892 3.707 3.858 1.00 0.00 C ATOM 89 O PHE A 11 -21.213 2.677 4.418 1.00 0.00 O ATOM 90 CB PHE A 11 -19.605 3.094 1.800 1.00 0.00 C ATOM 91 CG PHE A 11 -19.970 2.172 0.653 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.187 1.475 0.663 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.088 2.017 -0.427 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.520 0.630 -0.401 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.424 1.170 -1.489 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.639 0.478 -1.477 1.00 0.00 C ATOM 0 H PHE A 11 -19.916 5.643 1.786 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.744 3.327 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.875 3.831 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.136 2.522 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.868 1.591 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.150 2.551 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.458 0.095 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.744 1.051 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.897 -0.174 -2.298 1.00 0.00 H new ATOM 97 N GLN A 12 -20.564 4.773 4.536 1.00 0.00 N ATOM 98 CA GLN A 12 -20.581 4.743 6.026 1.00 0.00 C ATOM 99 C GLN A 12 -22.006 4.477 6.511 1.00 0.00 C ATOM 100 O GLN A 12 -22.219 3.850 7.530 1.00 0.00 O ATOM 101 CB GLN A 12 -20.098 6.089 6.569 1.00 0.00 C ATOM 102 CG GLN A 12 -20.109 6.055 8.099 1.00 0.00 C ATOM 103 CD GLN A 12 -19.736 7.435 8.643 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.471 8.388 8.474 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.615 7.584 9.295 1.00 0.00 N ATOM 0 H GLN A 12 -20.285 5.663 4.123 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.922 3.952 6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.092 6.300 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.742 6.891 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.096 5.765 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.404 5.307 8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.998 6.785 9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.356 8.500 9.662 1.00 0.00 H new ATOM 106 N ALA A 13 -22.986 4.947 5.787 1.00 0.00 N ATOM 107 CA ALA A 13 -24.397 4.718 6.205 1.00 0.00 C ATOM 108 C ALA A 13 -24.777 3.264 5.919 1.00 0.00 C ATOM 109 O ALA A 13 -25.623 2.692 6.578 1.00 0.00 O ATOM 110 CB ALA A 13 -25.320 5.651 5.418 1.00 0.00 C ATOM 0 H ALA A 13 -22.869 5.479 4.925 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.501 4.921 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.353 5.484 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.046 6.687 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.220 5.448 4.352 1.00 0.00 H new ATOM 111 N PHE A 14 -24.155 2.661 4.944 1.00 0.00 N ATOM 112 CA PHE A 14 -24.475 1.244 4.617 1.00 0.00 C ATOM 113 C PHE A 14 -23.650 0.316 5.515 1.00 0.00 C ATOM 114 O PHE A 14 -23.752 -0.892 5.433 1.00 0.00 O ATOM 115 CB PHE A 14 -24.135 0.968 3.151 1.00 0.00 C ATOM 116 CG PHE A 14 -25.077 1.744 2.263 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.372 1.267 2.031 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.656 2.942 1.673 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.247 1.987 1.210 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.530 3.662 0.850 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.826 3.184 0.619 1.00 0.00 C ATOM 0 H PHE A 14 -23.438 3.090 4.359 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.537 1.064 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.104 1.255 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.216 -0.099 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.696 0.343 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.657 3.311 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.247 1.619 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.205 4.585 0.394 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.501 3.739 -0.015 1.00 0.00 H new ATOM 122 N MET A 15 -22.834 0.871 6.369 1.00 0.00 N ATOM 123 CA MET A 15 -22.006 0.020 7.269 1.00 0.00 C ATOM 124 C MET A 15 -22.860 -0.454 8.445 1.00 0.00 C ATOM 125 O MET A 15 -23.532 0.326 9.091 1.00 0.00 O ATOM 126 CB MET A 15 -20.823 0.837 7.793 1.00 0.00 C ATOM 127 CG MET A 15 -19.721 -0.109 8.276 1.00 0.00 C ATOM 128 SD MET A 15 -20.250 -0.923 9.803 1.00 0.00 S ATOM 129 CE MET A 15 -20.430 0.574 10.804 1.00 0.00 C ATOM 0 H MET A 15 -22.705 1.876 6.482 1.00 0.00 H new ATOM 0 HA MET A 15 -21.635 -0.844 6.717 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.440 1.487 7.006 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.147 1.482 8.610 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.505 -0.854 7.510 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.799 0.447 8.448 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.262 0.332 11.853 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.701 1.317 10.481 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.436 0.975 10.681 1.00 0.00 H new ATOM 130 N LYS A 16 -22.841 -1.728 8.729 1.00 0.00 N ATOM 131 CA LYS A 16 -23.658 -2.247 9.863 1.00 0.00 C ATOM 132 C LYS A 16 -22.862 -3.307 10.630 1.00 0.00 C ATOM 133 O LYS A 16 -22.037 -4.002 10.072 1.00 0.00 O ATOM 134 CB LYS A 16 -24.943 -2.873 9.318 1.00 0.00 C ATOM 135 CG LYS A 16 -25.713 -1.829 8.505 1.00 0.00 C ATOM 136 CD LYS A 16 -27.091 -2.383 8.139 1.00 0.00 C ATOM 137 CE LYS A 16 -27.884 -1.317 7.377 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.018 -1.960 6.656 1.00 0.00 N ATOM 0 H LYS A 16 -22.297 -2.430 8.227 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.906 -1.425 10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.704 -3.733 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.560 -3.237 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.820 -0.910 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.159 -1.576 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.984 -3.279 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.628 -2.676 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.260 -0.564 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.234 -0.802 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.556 -1.236 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.648 -2.662 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.642 -2.431 7.341 1.00 0.00 H new ATOM 139 N ASN A 17 -23.106 -3.436 11.906 1.00 0.00 N ATOM 140 CA ASN A 17 -22.368 -4.450 12.713 1.00 0.00 C ATOM 141 C ASN A 17 -20.872 -4.364 12.400 1.00 0.00 C ATOM 142 O ASN A 17 -20.160 -5.348 12.455 1.00 0.00 O ATOM 143 CB ASN A 17 -22.880 -5.850 12.368 1.00 0.00 C ATOM 144 CG ASN A 17 -24.399 -5.897 12.541 1.00 0.00 C ATOM 145 OD1 ASN A 17 -25.096 -6.480 11.734 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.946 -5.303 13.566 1.00 0.00 N ATOM 0 H ASN A 17 -23.786 -2.882 12.426 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.529 -4.255 13.773 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.613 -6.104 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.407 -6.591 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.958 -5.328 13.690 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.361 -4.814 14.244 1.00 0.00 H new ATOM 147 N GLY A 18 -20.390 -3.197 12.071 1.00 0.00 N ATOM 148 CA GLY A 18 -18.942 -3.054 11.754 1.00 0.00 C ATOM 149 C GLY A 18 -18.662 -3.696 10.395 1.00 0.00 C ATOM 150 O GLY A 18 -17.549 -4.077 10.092 1.00 0.00 O ATOM 0 H GLY A 18 -20.936 -2.338 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.663 -2.000 11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.339 -3.531 12.527 1.00 0.00 H new ATOM 151 N LYS A 19 -19.669 -3.820 9.578 1.00 0.00 N ATOM 152 CA LYS A 19 -19.477 -4.438 8.238 1.00 0.00 C ATOM 153 C LYS A 19 -19.958 -3.466 7.160 1.00 0.00 C ATOM 154 O LYS A 19 -20.930 -2.760 7.338 1.00 0.00 O ATOM 155 CB LYS A 19 -20.295 -5.730 8.161 1.00 0.00 C ATOM 156 CG LYS A 19 -19.848 -6.549 6.948 1.00 0.00 C ATOM 157 CD LYS A 19 -21.081 -7.047 6.191 1.00 0.00 C ATOM 158 CE LYS A 19 -20.694 -8.247 5.323 1.00 0.00 C ATOM 159 NZ LYS A 19 -19.761 -7.804 4.249 1.00 0.00 N ATOM 0 H LYS A 19 -20.622 -3.518 9.782 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.422 -4.662 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.163 -6.311 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.357 -5.496 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.226 -5.939 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.239 -7.394 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.864 -7.330 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.486 -6.249 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.222 -9.015 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.586 -8.694 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.645 -8.568 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.149 -6.962 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.837 -7.572 4.666 1.00 0.00 H new ATOM 160 N LEU A 20 -19.286 -3.421 6.042 1.00 0.00 N ATOM 161 CA LEU A 20 -19.712 -2.491 4.960 1.00 0.00 C ATOM 162 C LEU A 20 -20.628 -3.230 3.985 1.00 0.00 C ATOM 163 O LEU A 20 -20.242 -4.206 3.373 1.00 0.00 O ATOM 164 CB LEU A 20 -18.480 -1.977 4.207 1.00 0.00 C ATOM 165 CG LEU A 20 -18.927 -1.226 2.949 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.569 0.099 3.352 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.718 -0.945 2.057 1.00 0.00 C ATOM 0 H LEU A 20 -18.463 -3.986 5.832 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.247 -1.649 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.897 -1.317 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.833 -2.811 3.935 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.647 -1.836 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.888 0.635 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.433 -0.094 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.845 0.703 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.041 -0.411 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.997 -0.336 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.252 -1.887 1.768 1.00 0.00 H new ATOM 168 N PHE A 21 -21.839 -2.771 3.829 1.00 0.00 N ATOM 169 CA PHE A 21 -22.771 -3.447 2.887 1.00 0.00 C ATOM 170 C PHE A 21 -22.582 -2.859 1.487 1.00 0.00 C ATOM 171 O PHE A 21 -22.790 -1.682 1.265 1.00 0.00 O ATOM 172 CB PHE A 21 -24.214 -3.232 3.344 1.00 0.00 C ATOM 173 CG PHE A 21 -24.505 -4.125 4.526 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.706 -4.049 5.673 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.572 -5.030 4.474 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.974 -4.877 6.770 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.840 -5.859 5.572 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.042 -5.782 6.718 1.00 0.00 C ATOM 0 H PHE A 21 -22.222 -1.959 4.313 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.559 -4.516 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.369 -2.188 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.902 -3.454 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.882 -3.351 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -26.188 -5.089 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.358 -4.818 7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.663 -6.557 5.533 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.249 -6.421 7.564 1.00 0.00 H new ATOM 179 N CYS A 22 -22.183 -3.667 0.546 1.00 0.00 N ATOM 180 CA CYS A 22 -21.974 -3.156 -0.838 1.00 0.00 C ATOM 181 C CYS A 22 -23.134 -3.600 -1.734 1.00 0.00 C ATOM 182 O CYS A 22 -22.984 -4.465 -2.574 1.00 0.00 O ATOM 183 CB CYS A 22 -20.662 -3.716 -1.391 1.00 0.00 C ATOM 184 SG CYS A 22 -19.732 -2.391 -2.200 1.00 0.00 S ATOM 0 H CYS A 22 -21.992 -4.661 0.675 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.930 -2.067 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.071 -4.149 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.867 -4.517 -2.102 1.00 0.00 H new ATOM 185 N PRO A 23 -24.317 -2.991 -1.549 1.00 0.00 N ATOM 186 CA PRO A 23 -25.510 -3.318 -2.340 1.00 0.00 C ATOM 187 C PRO A 23 -25.377 -2.838 -3.788 1.00 0.00 C ATOM 188 O PRO A 23 -24.541 -2.015 -4.104 1.00 0.00 O ATOM 189 CB PRO A 23 -26.627 -2.548 -1.637 1.00 0.00 C ATOM 190 CG PRO A 23 -25.933 -1.418 -0.957 1.00 0.00 C ATOM 191 CD PRO A 23 -24.582 -1.937 -0.555 1.00 0.00 C ATOM 0 HA PRO A 23 -25.684 -4.393 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.369 -2.187 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.154 -3.179 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.838 -0.561 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.496 -1.083 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.824 -1.154 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.589 -2.334 0.460 1.00 0.00 H new ATOM 192 N GLN A 24 -26.195 -3.343 -4.669 1.00 0.00 N ATOM 193 CA GLN A 24 -26.113 -2.911 -6.093 1.00 0.00 C ATOM 194 C GLN A 24 -26.714 -1.510 -6.237 1.00 0.00 C ATOM 195 O GLN A 24 -27.865 -1.283 -5.924 1.00 0.00 O ATOM 196 CB GLN A 24 -26.894 -3.893 -6.969 1.00 0.00 C ATOM 197 CG GLN A 24 -26.612 -3.599 -8.444 1.00 0.00 C ATOM 198 CD GLN A 24 -27.305 -4.646 -9.316 1.00 0.00 C ATOM 199 OE1 GLN A 24 -27.842 -5.613 -8.812 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.315 -4.497 -10.612 1.00 0.00 N ATOM 0 H GLN A 24 -26.916 -4.035 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.070 -2.893 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.607 -4.917 -6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.962 -3.806 -6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.969 -2.602 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.538 -3.610 -8.629 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.865 -3.686 -11.036 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -27.773 -5.192 -11.202 1.00 0.00 H new ATOM 201 N ASP A 25 -25.942 -0.570 -6.708 1.00 0.00 N ATOM 202 CA ASP A 25 -26.469 0.814 -6.871 1.00 0.00 C ATOM 203 C ASP A 25 -27.016 0.986 -8.291 1.00 0.00 C ATOM 204 O ASP A 25 -26.315 0.793 -9.264 1.00 0.00 O ATOM 205 CB ASP A 25 -25.342 1.821 -6.634 1.00 0.00 C ATOM 206 CG ASP A 25 -25.887 3.243 -6.783 1.00 0.00 C ATOM 207 OD1 ASP A 25 -27.092 3.384 -6.911 1.00 0.00 O ATOM 208 OD2 ASP A 25 -25.090 4.166 -6.767 1.00 0.00 O ATOM 0 H ASP A 25 -24.970 -0.700 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.267 0.986 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.921 1.684 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.535 1.653 -7.347 1.00 0.00 H new ATOM 209 N LYS A 26 -28.264 1.348 -8.416 1.00 0.00 N ATOM 210 CA LYS A 26 -28.855 1.530 -9.773 1.00 0.00 C ATOM 211 C LYS A 26 -27.980 2.486 -10.585 1.00 0.00 C ATOM 212 O LYS A 26 -27.816 2.331 -11.778 1.00 0.00 O ATOM 213 CB LYS A 26 -30.263 2.113 -9.642 1.00 0.00 C ATOM 214 CG LYS A 26 -30.946 2.112 -11.011 1.00 0.00 C ATOM 215 CD LYS A 26 -32.363 2.677 -10.875 1.00 0.00 C ATOM 216 CE LYS A 26 -33.090 2.564 -12.216 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.180 1.554 -12.107 1.00 0.00 N ATOM 0 H LYS A 26 -28.899 1.525 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.907 0.566 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.846 1.526 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.212 3.129 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.370 2.711 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.984 1.098 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.910 2.132 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.321 3.719 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.504 3.532 -12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.389 2.275 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.674 1.477 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -33.774 0.631 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.854 1.848 -11.372 1.00 0.00 H new ATOM 218 N LYS A 27 -27.419 3.473 -9.945 1.00 0.00 N ATOM 219 CA LYS A 27 -26.553 4.440 -10.678 1.00 0.00 C ATOM 220 C LYS A 27 -25.085 4.150 -10.362 1.00 0.00 C ATOM 221 O LYS A 27 -24.590 4.488 -9.306 1.00 0.00 O ATOM 222 CB LYS A 27 -26.899 5.864 -10.242 1.00 0.00 C ATOM 223 CG LYS A 27 -28.096 6.369 -11.051 1.00 0.00 C ATOM 224 CD LYS A 27 -28.657 7.634 -10.399 1.00 0.00 C ATOM 225 CE LYS A 27 -29.412 8.456 -11.446 1.00 0.00 C ATOM 226 NZ LYS A 27 -30.427 9.311 -10.770 1.00 0.00 N ATOM 0 H LYS A 27 -27.522 3.653 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.719 4.338 -11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.132 5.883 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -26.042 6.520 -10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.792 6.580 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.867 5.600 -11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -29.325 7.368 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.847 8.225 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.715 9.077 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -29.898 7.794 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -30.940 9.870 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -31.099 8.709 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.952 9.952 -10.103 1.00 0.00 H new ATOM 227 N PRO A 28 -24.380 3.505 -11.304 1.00 0.00 N ATOM 228 CA PRO A 28 -22.963 3.158 -11.136 1.00 0.00 C ATOM 229 C PRO A 28 -22.062 4.395 -11.180 1.00 0.00 C ATOM 230 O PRO A 28 -22.283 5.310 -11.947 1.00 0.00 O ATOM 231 CB PRO A 28 -22.672 2.260 -12.338 1.00 0.00 C ATOM 232 CG PRO A 28 -23.679 2.661 -13.362 1.00 0.00 C ATOM 233 CD PRO A 28 -24.912 3.065 -12.605 1.00 0.00 C ATOM 0 HA PRO A 28 -22.770 2.685 -10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.656 2.405 -12.704 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.770 1.206 -12.078 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.308 3.486 -13.970 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.893 1.836 -14.041 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.451 3.866 -13.111 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.607 2.233 -12.495 1.00 0.00 H new ATOM 234 N ILE A 29 -21.045 4.428 -10.361 1.00 0.00 N ATOM 235 CA ILE A 29 -20.130 5.605 -10.358 1.00 0.00 C ATOM 236 C ILE A 29 -18.759 5.186 -10.894 1.00 0.00 C ATOM 237 O ILE A 29 -18.389 4.030 -10.845 1.00 0.00 O ATOM 238 CB ILE A 29 -19.981 6.136 -8.928 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.334 7.526 -8.969 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.105 5.177 -8.114 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.790 7.889 -7.586 1.00 0.00 C ATOM 0 H ILE A 29 -20.809 3.692 -9.695 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.544 6.388 -10.993 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.962 6.208 -8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.527 7.539 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.066 8.268 -9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.999 5.555 -7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.571 4.192 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.121 5.101 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -18.332 8.877 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.606 7.894 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.043 7.154 -7.284 1.00 0.00 H new ATOM 242 N GLN A 30 -18.000 6.119 -11.402 1.00 0.00 N ATOM 243 CA GLN A 30 -16.652 5.775 -11.935 1.00 0.00 C ATOM 244 C GLN A 30 -15.600 6.085 -10.870 1.00 0.00 C ATOM 245 O GLN A 30 -15.362 7.227 -10.532 1.00 0.00 O ATOM 246 CB GLN A 30 -16.368 6.602 -13.191 1.00 0.00 C ATOM 247 CG GLN A 30 -17.282 6.137 -14.327 1.00 0.00 C ATOM 248 CD GLN A 30 -16.916 6.881 -15.613 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.251 7.896 -15.573 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.324 6.414 -16.761 1.00 0.00 N ATOM 0 H GLN A 30 -18.256 7.104 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.618 4.716 -12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.533 7.660 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.323 6.493 -13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.179 5.062 -14.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.324 6.325 -14.070 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.883 5.561 -16.795 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.084 6.902 -17.624 1.00 0.00 H new ATOM 251 N SER A 31 -14.975 5.076 -10.332 1.00 0.00 N ATOM 252 CA SER A 31 -13.947 5.311 -9.281 1.00 0.00 C ATOM 253 C SER A 31 -12.625 5.727 -9.931 1.00 0.00 C ATOM 254 O SER A 31 -12.486 5.727 -11.138 1.00 0.00 O ATOM 255 CB SER A 31 -13.738 4.025 -8.482 1.00 0.00 C ATOM 256 OG SER A 31 -12.869 3.160 -9.197 1.00 0.00 O ATOM 0 H SER A 31 -15.132 4.098 -10.575 1.00 0.00 H new ATOM 0 HA SER A 31 -14.286 6.106 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.315 4.256 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.695 3.533 -8.307 1.00 0.00 H new ATOM 0 HG SER A 31 -13.245 2.979 -10.084 1.00 0.00 H new ATOM 257 N LEU A 32 -11.653 6.081 -9.135 1.00 0.00 N ATOM 258 CA LEU A 32 -10.340 6.499 -9.700 1.00 0.00 C ATOM 259 C LEU A 32 -9.287 5.432 -9.390 1.00 0.00 C ATOM 260 O LEU A 32 -8.161 5.509 -9.843 1.00 0.00 O ATOM 261 CB LEU A 32 -9.918 7.830 -9.074 1.00 0.00 C ATOM 262 CG LEU A 32 -10.169 7.786 -7.565 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.031 8.506 -6.838 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.496 8.478 -7.248 1.00 0.00 C ATOM 0 H LEU A 32 -11.712 6.099 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.429 6.617 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.863 8.019 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.479 8.650 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.213 6.748 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.209 8.475 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.086 8.013 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.987 9.544 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.675 8.447 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.453 9.516 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.307 7.965 -7.766 1.00 0.00 H new ATOM 265 N ASP A 33 -9.641 4.437 -8.623 1.00 0.00 N ATOM 266 CA ASP A 33 -8.660 3.367 -8.288 1.00 0.00 C ATOM 267 C ASP A 33 -8.582 2.364 -9.441 1.00 0.00 C ATOM 268 O ASP A 33 -7.931 1.342 -9.344 1.00 0.00 O ATOM 269 CB ASP A 33 -9.110 2.644 -7.017 1.00 0.00 C ATOM 270 CG ASP A 33 -8.914 3.564 -5.810 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.337 4.625 -5.986 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.345 3.193 -4.730 1.00 0.00 O ATOM 0 H ASP A 33 -10.568 4.319 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.679 3.813 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.158 2.356 -7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.536 1.727 -6.885 1.00 0.00 H new ATOM 273 N GLY A 34 -9.242 2.644 -10.531 1.00 0.00 N ATOM 274 CA GLY A 34 -9.208 1.703 -11.686 1.00 0.00 C ATOM 275 C GLY A 34 -10.396 0.741 -11.594 1.00 0.00 C ATOM 276 O GLY A 34 -10.516 -0.187 -12.370 1.00 0.00 O ATOM 0 H GLY A 34 -9.803 3.484 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.248 2.258 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.272 1.144 -11.686 1.00 0.00 H new ATOM 277 N ILE A 35 -11.276 0.955 -10.654 1.00 0.00 N ATOM 278 CA ILE A 35 -12.454 0.053 -10.513 1.00 0.00 C ATOM 279 C ILE A 35 -13.729 0.823 -10.872 1.00 0.00 C ATOM 280 O ILE A 35 -13.711 2.025 -11.042 1.00 0.00 O ATOM 281 CB ILE A 35 -12.547 -0.440 -9.067 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.215 -1.070 -8.653 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.659 -1.483 -8.950 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.162 -1.184 -7.127 1.00 0.00 C ATOM 0 H ILE A 35 -11.230 1.716 -9.977 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.343 -0.800 -11.182 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.770 0.404 -8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.109 -2.055 -9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.385 -0.462 -9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.723 -1.832 -7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.609 -1.036 -9.241 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.438 -2.325 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.214 -1.632 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.249 -0.192 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.985 -1.809 -6.780 1.00 0.00 H new ATOM 285 N MET A 36 -14.835 0.141 -10.989 1.00 0.00 N ATOM 286 CA MET A 36 -16.104 0.840 -11.334 1.00 0.00 C ATOM 287 C MET A 36 -17.064 0.783 -10.142 1.00 0.00 C ATOM 288 O MET A 36 -17.654 -0.240 -9.860 1.00 0.00 O ATOM 289 CB MET A 36 -16.748 0.155 -12.541 1.00 0.00 C ATOM 290 CG MET A 36 -15.918 0.443 -13.793 1.00 0.00 C ATOM 291 SD MET A 36 -16.766 -0.224 -15.246 1.00 0.00 S ATOM 292 CE MET A 36 -18.076 1.021 -15.334 1.00 0.00 C ATOM 0 H MET A 36 -14.915 -0.868 -10.861 1.00 0.00 H new ATOM 0 HA MET A 36 -15.891 1.881 -11.575 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.810 -0.920 -12.372 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.768 0.516 -12.676 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.771 1.517 -13.906 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.929 -0.006 -13.698 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.127 1.425 -16.345 1.00 0.00 H new ATOM 0 HE2 MET A 36 -19.031 0.563 -15.078 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.860 1.827 -14.632 1.00 0.00 H new ATOM 293 N PHE A 37 -17.222 1.878 -9.443 1.00 0.00 N ATOM 294 CA PHE A 37 -18.146 1.904 -8.268 1.00 0.00 C ATOM 295 C PHE A 37 -17.609 1.003 -7.155 1.00 0.00 C ATOM 296 O PHE A 37 -17.373 1.446 -6.047 1.00 0.00 O ATOM 297 CB PHE A 37 -19.534 1.421 -8.691 1.00 0.00 C ATOM 298 CG PHE A 37 -20.446 1.391 -7.488 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.486 0.255 -6.670 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.250 2.496 -7.190 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.330 0.225 -5.553 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.095 2.467 -6.074 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.135 1.332 -5.256 1.00 0.00 C ATOM 0 H PHE A 37 -16.748 2.760 -9.637 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.214 2.927 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.944 2.082 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.466 0.427 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.866 -0.598 -6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.219 3.372 -7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.360 -0.651 -4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.716 3.320 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.787 1.310 -4.395 1.00 0.00 H new ATOM 304 N ILE A 38 -17.421 -0.255 -7.437 1.00 0.00 N ATOM 305 CA ILE A 38 -16.905 -1.191 -6.395 1.00 0.00 C ATOM 306 C ILE A 38 -15.797 -0.510 -5.588 1.00 0.00 C ATOM 307 O ILE A 38 -15.565 -0.831 -4.439 1.00 0.00 O ATOM 308 CB ILE A 38 -16.343 -2.446 -7.068 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.456 -3.152 -7.845 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.789 -3.390 -5.999 1.00 0.00 C ATOM 311 CD1 ILE A 38 -16.878 -4.367 -8.573 1.00 0.00 C ATOM 0 H ILE A 38 -17.602 -0.679 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.721 -1.467 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.545 -2.164 -7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.247 -3.465 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.906 -2.465 -8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.388 -4.284 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.996 -2.887 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.588 -3.672 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.671 -4.870 -9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.102 -4.041 -9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.449 -5.057 -7.846 1.00 0.00 H new ATOM 312 N ASN A 39 -15.107 0.427 -6.179 1.00 0.00 N ATOM 313 CA ASN A 39 -14.016 1.123 -5.443 1.00 0.00 C ATOM 314 C ASN A 39 -14.573 1.756 -4.168 1.00 0.00 C ATOM 315 O ASN A 39 -13.972 1.675 -3.117 1.00 0.00 O ATOM 316 CB ASN A 39 -13.420 2.217 -6.327 1.00 0.00 C ATOM 317 CG ASN A 39 -12.104 2.701 -5.716 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.249 1.906 -5.376 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.904 3.980 -5.557 1.00 0.00 N ATOM 0 H ASN A 39 -15.252 0.740 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.244 0.399 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.248 1.834 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.119 3.048 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.031 4.313 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.621 4.648 -5.842 1.00 0.00 H new ATOM 320 N LYS A 40 -15.714 2.389 -4.248 1.00 0.00 N ATOM 321 CA LYS A 40 -16.296 3.024 -3.032 1.00 0.00 C ATOM 322 C LYS A 40 -16.163 2.062 -1.854 1.00 0.00 C ATOM 323 O LYS A 40 -15.824 2.450 -0.754 1.00 0.00 O ATOM 324 CB LYS A 40 -17.772 3.345 -3.272 1.00 0.00 C ATOM 325 CG LYS A 40 -17.895 4.360 -4.412 1.00 0.00 C ATOM 326 CD LYS A 40 -19.351 4.812 -4.536 1.00 0.00 C ATOM 327 CE LYS A 40 -19.837 5.341 -3.186 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.716 4.325 -2.540 1.00 0.00 N ATOM 0 H LYS A 40 -16.265 2.493 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.763 3.949 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.317 2.435 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.220 3.747 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.251 5.219 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.560 3.914 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.438 5.589 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.975 3.979 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.986 5.562 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.383 6.274 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.626 4.395 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.705 4.497 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.432 3.373 -2.849 1.00 0.00 H new ATOM 329 N CYS A 41 -16.412 0.805 -2.084 1.00 0.00 N ATOM 330 CA CYS A 41 -16.283 -0.192 -0.987 1.00 0.00 C ATOM 331 C CYS A 41 -14.798 -0.453 -0.735 1.00 0.00 C ATOM 332 O CYS A 41 -14.345 -0.509 0.391 1.00 0.00 O ATOM 333 CB CYS A 41 -16.957 -1.499 -1.403 1.00 0.00 C ATOM 334 SG CYS A 41 -18.627 -1.583 -0.714 1.00 0.00 S ATOM 0 H CYS A 41 -16.700 0.424 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.758 0.189 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -17.000 -1.565 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.368 -2.348 -1.055 1.00 0.00 H new ATOM 335 N ALA A 42 -14.037 -0.613 -1.785 1.00 0.00 N ATOM 336 CA ALA A 42 -12.579 -0.871 -1.623 1.00 0.00 C ATOM 337 C ALA A 42 -11.900 0.369 -1.039 1.00 0.00 C ATOM 338 O ALA A 42 -10.840 0.289 -0.451 1.00 0.00 O ATOM 339 CB ALA A 42 -11.967 -1.192 -2.988 1.00 0.00 C ATOM 0 H ALA A 42 -14.365 -0.576 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.432 -1.714 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.900 -1.381 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.450 -2.076 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.115 -0.347 -3.661 1.00 0.00 H new ATOM 340 N THR A 43 -12.501 1.517 -1.197 1.00 0.00 N ATOM 341 CA THR A 43 -11.888 2.758 -0.651 1.00 0.00 C ATOM 342 C THR A 43 -12.595 3.142 0.649 1.00 0.00 C ATOM 343 O THR A 43 -11.992 3.661 1.567 1.00 0.00 O ATOM 344 CB THR A 43 -12.043 3.892 -1.667 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.303 3.775 -2.314 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.923 3.808 -2.707 1.00 0.00 C ATOM 0 H THR A 43 -13.390 1.648 -1.681 1.00 0.00 H new ATOM 0 HA THR A 43 -10.830 2.586 -0.455 1.00 0.00 H new ATOM 0 HB THR A 43 -11.984 4.851 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.282 3.018 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.036 4.617 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.957 3.898 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.977 2.850 -3.224 1.00 0.00 H new ATOM 347 N CYS A 44 -13.872 2.891 0.732 1.00 0.00 N ATOM 348 CA CYS A 44 -14.623 3.243 1.969 1.00 0.00 C ATOM 349 C CYS A 44 -14.314 2.227 3.067 1.00 0.00 C ATOM 350 O CYS A 44 -14.265 2.557 4.232 1.00 0.00 O ATOM 351 CB CYS A 44 -16.122 3.227 1.679 1.00 0.00 C ATOM 352 SG CYS A 44 -17.035 3.724 3.164 1.00 0.00 S ATOM 0 H CYS A 44 -14.428 2.457 -0.004 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.323 4.238 2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.350 3.904 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.431 2.230 1.367 1.00 0.00 H new ATOM 353 N LYS A 45 -14.111 0.990 2.710 1.00 0.00 N ATOM 354 CA LYS A 45 -13.813 -0.038 3.746 1.00 0.00 C ATOM 355 C LYS A 45 -12.502 0.313 4.450 1.00 0.00 C ATOM 356 O LYS A 45 -12.375 0.179 5.651 1.00 0.00 O ATOM 357 CB LYS A 45 -13.683 -1.408 3.080 1.00 0.00 C ATOM 358 CG LYS A 45 -15.073 -1.962 2.767 1.00 0.00 C ATOM 359 CD LYS A 45 -14.978 -3.469 2.526 1.00 0.00 C ATOM 360 CE LYS A 45 -16.249 -3.952 1.826 1.00 0.00 C ATOM 361 NZ LYS A 45 -16.161 -5.422 1.598 1.00 0.00 N ATOM 0 H LYS A 45 -14.138 0.647 1.750 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.622 -0.064 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.100 -1.324 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.147 -2.093 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.753 -1.757 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.484 -1.467 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.104 -3.696 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.850 -3.993 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.123 -3.719 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.374 -3.432 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.025 -5.752 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.335 -5.632 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.061 -5.910 2.511 1.00 0.00 H new ATOM 362 N MET A 46 -11.525 0.765 3.713 1.00 0.00 N ATOM 363 CA MET A 46 -10.223 1.125 4.341 1.00 0.00 C ATOM 364 C MET A 46 -10.319 2.529 4.940 1.00 0.00 C ATOM 365 O MET A 46 -9.621 2.865 5.875 1.00 0.00 O ATOM 366 CB MET A 46 -9.121 1.096 3.280 1.00 0.00 C ATOM 367 CG MET A 46 -8.914 -0.342 2.801 1.00 0.00 C ATOM 368 SD MET A 46 -8.503 -1.395 4.213 1.00 0.00 S ATOM 369 CE MET A 46 -6.964 -0.562 4.676 1.00 0.00 C ATOM 0 H MET A 46 -11.572 0.901 2.703 1.00 0.00 H new ATOM 0 HA MET A 46 -9.987 0.409 5.129 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.393 1.735 2.440 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.193 1.490 3.693 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.817 -0.707 2.312 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.114 -0.379 2.061 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.297 -1.274 5.162 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.482 -0.165 3.783 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.185 0.255 5.363 1.00 0.00 H new ATOM 370 N ILE A 47 -11.180 3.352 4.406 1.00 0.00 N ATOM 371 CA ILE A 47 -11.322 4.734 4.942 1.00 0.00 C ATOM 372 C ILE A 47 -12.430 4.761 5.997 1.00 0.00 C ATOM 373 O ILE A 47 -12.557 5.701 6.757 1.00 0.00 O ATOM 374 CB ILE A 47 -11.680 5.687 3.800 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.537 5.717 2.783 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.903 7.094 4.359 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.969 6.519 1.553 1.00 0.00 C ATOM 0 H ILE A 47 -11.791 3.126 3.621 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.382 5.047 5.396 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.592 5.342 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.650 6.166 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.268 4.702 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.158 7.773 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.718 7.073 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.992 7.440 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.155 6.541 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.844 6.051 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.216 7.538 1.851 1.00 0.00 H new ATOM 378 N LEU A 48 -13.231 3.733 6.050 1.00 0.00 N ATOM 379 CA LEU A 48 -14.330 3.693 7.054 1.00 0.00 C ATOM 380 C LEU A 48 -13.784 3.143 8.371 1.00 0.00 C ATOM 381 O LEU A 48 -14.376 3.309 9.420 1.00 0.00 O ATOM 382 CB LEU A 48 -15.455 2.786 6.542 1.00 0.00 C ATOM 383 CG LEU A 48 -16.642 2.824 7.511 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.906 4.265 7.957 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.885 2.277 6.806 1.00 0.00 C ATOM 0 H LEU A 48 -13.171 2.918 5.440 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.723 4.697 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.773 3.111 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.091 1.764 6.440 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.413 2.215 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.751 4.284 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.021 4.659 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.134 4.879 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.732 2.302 7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.107 2.890 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.702 1.249 6.492 1.00 0.00 H new ATOM 386 N GLU A 49 -12.652 2.495 8.325 1.00 0.00 N ATOM 387 CA GLU A 49 -12.058 1.942 9.573 1.00 0.00 C ATOM 388 C GLU A 49 -11.473 3.087 10.398 1.00 0.00 C ATOM 389 O GLU A 49 -11.421 3.032 11.611 1.00 0.00 O ATOM 390 CB GLU A 49 -10.948 0.952 9.212 1.00 0.00 C ATOM 391 CG GLU A 49 -11.569 -0.337 8.673 1.00 0.00 C ATOM 392 CD GLU A 49 -10.462 -1.353 8.380 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.304 -0.993 8.516 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.792 -2.472 8.024 1.00 0.00 O ATOM 0 H GLU A 49 -12.113 2.325 7.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.826 1.429 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.285 1.389 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.340 0.736 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.270 -0.747 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.136 -0.129 7.765 1.00 0.00 H new ATOM 395 N LYS A 50 -11.033 4.129 9.748 1.00 0.00 N ATOM 396 CA LYS A 50 -10.453 5.283 10.488 1.00 0.00 C ATOM 397 C LYS A 50 -11.507 5.857 11.436 1.00 0.00 C ATOM 398 O LYS A 50 -11.204 6.279 12.534 1.00 0.00 O ATOM 399 CB LYS A 50 -10.020 6.361 9.492 1.00 0.00 C ATOM 400 CG LYS A 50 -9.351 7.513 10.243 1.00 0.00 C ATOM 401 CD LYS A 50 -9.011 8.633 9.258 1.00 0.00 C ATOM 402 CE LYS A 50 -8.201 9.714 9.976 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.909 9.137 10.443 1.00 0.00 N ATOM 0 H LYS A 50 -11.051 4.230 8.733 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.588 4.952 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.329 5.940 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.884 6.728 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.015 7.888 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.446 7.162 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.441 8.234 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.926 9.061 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.016 10.552 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.765 10.104 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.209 9.898 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.051 8.663 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.564 8.447 9.745 1.00 0.00 H new ATOM 404 N GLU A 51 -12.744 5.873 11.020 1.00 0.00 N ATOM 405 CA GLU A 51 -13.818 6.418 11.897 1.00 0.00 C ATOM 406 C GLU A 51 -13.898 5.585 13.177 1.00 0.00 C ATOM 407 O GLU A 51 -14.175 6.094 14.245 1.00 0.00 O ATOM 408 CB GLU A 51 -15.158 6.354 11.161 1.00 0.00 C ATOM 409 CG GLU A 51 -15.121 7.285 9.949 1.00 0.00 C ATOM 410 CD GLU A 51 -14.889 8.723 10.417 1.00 0.00 C ATOM 411 OE1 GLU A 51 -15.078 8.979 11.595 1.00 0.00 O ATOM 412 OE2 GLU A 51 -14.527 9.544 9.591 1.00 0.00 O ATOM 0 H GLU A 51 -13.057 5.532 10.111 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.593 7.454 12.150 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.361 5.332 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.967 6.645 11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.327 6.981 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.058 7.218 9.397 1.00 0.00 H new ATOM 413 N ALA A 52 -13.657 4.306 13.079 1.00 0.00 N ATOM 414 CA ALA A 52 -13.718 3.440 14.289 1.00 0.00 C ATOM 415 C ALA A 52 -12.627 3.865 15.274 1.00 0.00 C ATOM 416 O ALA A 52 -12.754 3.689 16.469 1.00 0.00 O ATOM 417 CB ALA A 52 -13.500 1.981 13.885 1.00 0.00 C ATOM 0 H ALA A 52 -13.420 3.824 12.212 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.695 3.543 14.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.545 1.348 14.771 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.277 1.678 13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.523 1.876 13.413 1.00 0.00 H new ATOM 418 N LYS A 53 -11.556 4.424 14.782 1.00 0.00 N ATOM 419 CA LYS A 53 -10.459 4.860 15.692 1.00 0.00 C ATOM 420 C LYS A 53 -10.992 5.917 16.660 1.00 0.00 C ATOM 421 O LYS A 53 -10.542 6.026 17.783 1.00 0.00 O ATOM 422 CB LYS A 53 -9.316 5.456 14.866 1.00 0.00 C ATOM 423 CG LYS A 53 -8.723 4.374 13.961 1.00 0.00 C ATOM 424 CD LYS A 53 -7.527 4.949 13.199 1.00 0.00 C ATOM 425 CE LYS A 53 -6.999 3.903 12.214 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.520 4.034 12.094 1.00 0.00 N ATOM 0 H LYS A 53 -11.393 4.598 13.790 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.091 4.002 16.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.683 6.288 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.546 5.855 15.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.410 3.517 14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.477 4.017 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.823 5.851 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.741 5.236 13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.259 2.902 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.467 4.038 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.162 3.323 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.283 4.986 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.082 3.885 13.025 1.00 0.00 H new ATOM 427 N SER A 54 -11.948 6.696 16.234 1.00 0.00 N ATOM 428 CA SER A 54 -12.509 7.745 17.131 1.00 0.00 C ATOM 429 C SER A 54 -13.079 7.088 18.390 1.00 0.00 C ATOM 430 O SER A 54 -13.109 7.679 19.451 1.00 0.00 O ATOM 431 CB SER A 54 -13.622 8.498 16.400 1.00 0.00 C ATOM 432 OG SER A 54 -13.126 8.997 15.167 1.00 0.00 O ATOM 0 H SER A 54 -12.365 6.651 15.304 1.00 0.00 H new ATOM 0 HA SER A 54 -11.721 8.444 17.411 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.468 7.834 16.222 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.986 9.320 17.017 1.00 0.00 H new ATOM 0 HG SER A 54 -13.840 9.478 14.698 1.00 0.00 H new ATOM 433 N GLN A 55 -13.532 5.869 18.280 1.00 0.00 N ATOM 434 CA GLN A 55 -14.100 5.175 19.470 1.00 0.00 C ATOM 435 C GLN A 55 -13.370 3.847 19.682 1.00 0.00 C ATOM 436 O GLN A 55 -12.170 3.812 19.465 1.00 0.00 O ATOM 437 CB GLN A 55 -15.588 4.908 19.243 1.00 0.00 C ATOM 438 CG GLN A 55 -16.337 6.239 19.147 1.00 0.00 C ATOM 439 CD GLN A 55 -17.825 5.972 18.907 1.00 0.00 C ATOM 440 OE1 GLN A 55 -18.212 4.864 18.593 1.00 0.00 O ATOM 441 NE2 GLN A 55 -18.679 6.949 19.039 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.023 2.887 20.057 1.00 0.00 O ATOM 0 H GLN A 55 -13.533 5.324 17.418 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.975 5.804 20.351 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.730 4.332 18.328 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.990 4.311 20.061 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.203 6.811 20.065 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.929 6.840 18.335 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.353 7.879 19.303 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.673 6.783 18.879 1.00 0.00 H new TER 443 GLN A 55