USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 251 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= -2.11! C(o=-2.3!,f=-14!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 140:sc= -0.195! (180deg=-0.147) USER MOD Set 2.1: A 42 TYR OH : rot 180:sc= -0.0795 USER MOD Set 2.2: A 56 ASN : amide:sc= -1.35 K(o=-1.4,f=-3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-9.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.39) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -8.075 -14.796 -7.099 1.00 0.00 N ATOM 2 CA ASP A 39 -9.396 -14.154 -6.896 1.00 0.00 C ATOM 3 C ASP A 39 -9.217 -12.783 -6.262 1.00 0.00 C ATOM 4 O ASP A 39 -9.016 -12.670 -5.068 1.00 0.00 O ATOM 5 CB ASP A 39 -10.258 -15.015 -5.960 1.00 0.00 C ATOM 6 CG ASP A 39 -11.635 -14.366 -5.803 1.00 0.00 C ATOM 7 OD1 ASP A 39 -12.325 -14.309 -6.807 1.00 0.00 O ATOM 8 OD2 ASP A 39 -11.919 -13.964 -4.686 1.00 0.00 O ATOM 0 HA ASP A 39 -9.884 -14.054 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.361 -16.022 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.775 -15.111 -4.987 1.00 0.00 H new ATOM 15 N ARG A 40 -9.296 -11.757 -7.075 1.00 0.00 N ATOM 16 CA ARG A 40 -9.133 -10.371 -6.541 1.00 0.00 C ATOM 17 C ARG A 40 -10.017 -9.378 -7.313 1.00 0.00 C ATOM 18 O ARG A 40 -9.517 -8.517 -8.010 1.00 0.00 O ATOM 19 CB ARG A 40 -7.660 -9.956 -6.727 1.00 0.00 C ATOM 20 CG ARG A 40 -6.748 -11.120 -6.326 1.00 0.00 C ATOM 21 CD ARG A 40 -5.293 -10.646 -6.341 1.00 0.00 C ATOM 22 NE ARG A 40 -4.395 -11.840 -6.335 1.00 0.00 N ATOM 23 CZ ARG A 40 -3.171 -11.728 -6.777 1.00 0.00 C ATOM 24 NH1 ARG A 40 -2.521 -10.617 -6.561 1.00 0.00 N ATOM 25 NH2 ARG A 40 -2.639 -12.730 -7.421 1.00 0.00 N ATOM 0 H ARG A 40 -9.465 -11.820 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.424 -10.358 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.478 -9.678 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.438 -9.079 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.015 -11.482 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.879 -11.954 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.104 -10.037 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.092 -10.019 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.735 -12.737 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.970 -9.854 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.564 -10.512 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.178 -13.583 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.684 -12.661 -7.773 1.00 0.00 H new ATOM 39 N PRO A 41 -11.332 -9.518 -7.172 1.00 0.00 N ATOM 40 CA PRO A 41 -12.261 -8.626 -7.862 1.00 0.00 C ATOM 41 C PRO A 41 -12.078 -7.175 -7.398 1.00 0.00 C ATOM 42 O PRO A 41 -12.512 -6.251 -8.061 1.00 0.00 O ATOM 43 CB PRO A 41 -13.686 -9.153 -7.482 1.00 0.00 C ATOM 44 CG PRO A 41 -13.484 -10.392 -6.540 1.00 0.00 C ATOM 45 CD PRO A 41 -11.956 -10.563 -6.333 1.00 0.00 C ATOM 0 HA PRO A 41 -12.097 -8.625 -8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.262 -8.377 -6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.243 -9.435 -8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.987 -10.236 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.915 -11.289 -6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.684 -10.440 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.627 -11.558 -6.633 1.00 0.00 H new ATOM 53 N TYR A 42 -11.432 -7.005 -6.260 1.00 0.00 N ATOM 54 CA TYR A 42 -11.202 -5.624 -5.721 1.00 0.00 C ATOM 55 C TYR A 42 -9.747 -5.245 -5.836 1.00 0.00 C ATOM 56 O TYR A 42 -9.051 -5.142 -4.863 1.00 0.00 O ATOM 57 CB TYR A 42 -11.600 -5.600 -4.233 1.00 0.00 C ATOM 58 CG TYR A 42 -13.107 -5.822 -4.115 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.985 -4.788 -4.367 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.610 -7.055 -3.761 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.345 -4.983 -4.266 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.971 -7.251 -3.659 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.850 -6.217 -3.911 1.00 0.00 C ATOM 64 OH TYR A 42 -17.213 -6.414 -3.812 1.00 0.00 O ATOM 0 H TYR A 42 -11.057 -7.761 -5.687 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.801 -4.917 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.062 -6.375 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.324 -4.645 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.603 -3.817 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.934 -7.873 -3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.021 -4.164 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.353 -8.222 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.391 -7.342 -3.553 1.00 0.00 H new ATOM 74 N SER A 43 -9.314 -5.039 -7.036 1.00 0.00 N ATOM 75 CA SER A 43 -7.884 -4.657 -7.258 1.00 0.00 C ATOM 76 C SER A 43 -7.761 -3.168 -7.511 1.00 0.00 C ATOM 77 O SER A 43 -7.773 -2.728 -8.644 1.00 0.00 O ATOM 78 CB SER A 43 -7.385 -5.399 -8.494 1.00 0.00 C ATOM 79 OG SER A 43 -6.044 -4.959 -8.648 1.00 0.00 O ATOM 0 H SER A 43 -9.880 -5.116 -7.881 1.00 0.00 H new ATOM 0 HA SER A 43 -7.300 -4.914 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.436 -6.479 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.986 -5.160 -9.371 1.00 0.00 H new ATOM 0 HG SER A 43 -5.644 -5.395 -9.429 1.00 0.00 H new ATOM 85 N CYS A 44 -7.645 -2.409 -6.454 1.00 0.00 N ATOM 86 CA CYS A 44 -7.522 -0.952 -6.629 1.00 0.00 C ATOM 87 C CYS A 44 -6.485 -0.612 -7.691 1.00 0.00 C ATOM 88 O CYS A 44 -5.620 -1.408 -8.000 1.00 0.00 O ATOM 89 CB CYS A 44 -7.073 -0.341 -5.303 1.00 0.00 C ATOM 90 SG CYS A 44 -6.695 1.418 -5.317 1.00 0.00 S ATOM 0 H CYS A 44 -7.631 -2.740 -5.489 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.488 -0.555 -6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.855 -0.516 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.187 -0.878 -4.963 1.00 0.00 H new ATOM 95 N ASP A 45 -6.593 0.569 -8.229 1.00 0.00 N ATOM 96 CA ASP A 45 -5.630 0.994 -9.274 1.00 0.00 C ATOM 97 C ASP A 45 -5.613 2.510 -9.388 1.00 0.00 C ATOM 98 O ASP A 45 -5.620 3.055 -10.475 1.00 0.00 O ATOM 99 CB ASP A 45 -6.078 0.398 -10.618 1.00 0.00 C ATOM 100 CG ASP A 45 -5.806 -1.108 -10.619 1.00 0.00 C ATOM 101 OD1 ASP A 45 -4.699 -1.458 -10.240 1.00 0.00 O ATOM 102 OD2 ASP A 45 -6.719 -1.824 -10.997 1.00 0.00 O ATOM 0 H ASP A 45 -7.307 1.257 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.631 0.647 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.140 0.588 -10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.542 0.877 -11.438 1.00 0.00 H new ATOM 107 N HIS A 46 -5.588 3.170 -8.256 1.00 0.00 N ATOM 108 CA HIS A 46 -5.572 4.651 -8.265 1.00 0.00 C ATOM 109 C HIS A 46 -4.129 5.160 -8.567 1.00 0.00 C ATOM 110 O HIS A 46 -3.166 4.506 -8.218 1.00 0.00 O ATOM 111 CB HIS A 46 -6.042 5.113 -6.846 1.00 0.00 C ATOM 112 CG HIS A 46 -5.332 6.400 -6.397 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.820 7.548 -6.461 1.00 0.00 N ATOM 114 CD2 HIS A 46 -4.085 6.561 -5.835 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.023 8.418 -6.002 1.00 0.00 C ATOM 116 NE2 HIS A 46 -3.878 7.883 -5.577 1.00 0.00 N ATOM 0 H HIS A 46 -5.578 2.740 -7.331 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.229 5.056 -9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.119 5.278 -6.856 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.848 4.320 -6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.383 5.766 -5.631 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.245 9.474 -5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.064 8.341 -5.168 1.00 0.00 H new ATOM 124 N PRO A 47 -4.010 6.325 -9.215 1.00 0.00 N ATOM 125 CA PRO A 47 -2.693 6.877 -9.538 1.00 0.00 C ATOM 126 C PRO A 47 -1.803 6.980 -8.289 1.00 0.00 C ATOM 127 O PRO A 47 -1.979 7.863 -7.473 1.00 0.00 O ATOM 128 CB PRO A 47 -2.986 8.300 -10.124 1.00 0.00 C ATOM 129 CG PRO A 47 -4.542 8.490 -10.114 1.00 0.00 C ATOM 130 CD PRO A 47 -5.159 7.147 -9.650 1.00 0.00 C ATOM 0 HA PRO A 47 -2.153 6.241 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.500 9.071 -9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.594 8.388 -11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.827 9.299 -9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.904 8.758 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.866 7.299 -8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.705 6.664 -10.460 1.00 0.00 H new ATOM 138 N GLY A 48 -0.860 6.069 -8.171 1.00 0.00 N ATOM 139 CA GLY A 48 0.063 6.089 -6.981 1.00 0.00 C ATOM 140 C GLY A 48 -0.260 4.948 -6.012 1.00 0.00 C ATOM 141 O GLY A 48 -0.196 5.120 -4.811 1.00 0.00 O ATOM 0 H GLY A 48 -0.689 5.318 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.096 6.003 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.026 7.045 -6.464 1.00 0.00 H new ATOM 145 N CYS A 49 -0.604 3.804 -6.545 1.00 0.00 N ATOM 146 CA CYS A 49 -0.927 2.664 -5.649 1.00 0.00 C ATOM 147 C CYS A 49 -1.160 1.380 -6.423 1.00 0.00 C ATOM 148 O CYS A 49 -1.343 1.391 -7.623 1.00 0.00 O ATOM 149 CB CYS A 49 -2.210 2.988 -4.885 1.00 0.00 C ATOM 150 SG CYS A 49 -3.052 1.591 -4.104 1.00 0.00 S ATOM 0 H CYS A 49 -0.673 3.615 -7.545 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.080 2.519 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.973 3.720 -4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.907 3.466 -5.574 1.00 0.00 H new ATOM 155 N ASP A 50 -1.152 0.289 -5.704 1.00 0.00 N ATOM 156 CA ASP A 50 -1.371 -1.029 -6.350 1.00 0.00 C ATOM 157 C ASP A 50 -1.738 -2.086 -5.303 1.00 0.00 C ATOM 158 O ASP A 50 -1.500 -3.261 -5.496 1.00 0.00 O ATOM 159 CB ASP A 50 -0.066 -1.456 -7.053 1.00 0.00 C ATOM 160 CG ASP A 50 0.085 -0.674 -8.359 1.00 0.00 C ATOM 161 OD1 ASP A 50 -0.546 -1.093 -9.317 1.00 0.00 O ATOM 162 OD2 ASP A 50 0.823 0.297 -8.327 1.00 0.00 O ATOM 0 H ASP A 50 -1.003 0.258 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.187 -0.944 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.789 -1.269 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.083 -2.527 -7.257 1.00 0.00 H new ATOM 167 N LYS A 51 -2.316 -1.645 -4.210 1.00 0.00 N ATOM 168 CA LYS A 51 -2.702 -2.613 -3.146 1.00 0.00 C ATOM 169 C LYS A 51 -3.805 -3.552 -3.628 1.00 0.00 C ATOM 170 O LYS A 51 -4.868 -3.116 -4.025 1.00 0.00 O ATOM 171 CB LYS A 51 -3.227 -1.827 -1.924 1.00 0.00 C ATOM 172 CG LYS A 51 -2.056 -1.066 -1.234 1.00 0.00 C ATOM 173 CD LYS A 51 -2.344 -0.919 0.286 1.00 0.00 C ATOM 174 CE LYS A 51 -1.833 -2.161 1.030 1.00 0.00 C ATOM 175 NZ LYS A 51 -2.310 -2.155 2.444 1.00 0.00 N ATOM 0 H LYS A 51 -2.533 -0.668 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.826 -3.206 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.995 -1.120 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.694 -2.511 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.121 -1.605 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.933 -0.082 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.857 -0.024 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.414 -0.797 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.181 -3.063 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.743 -2.183 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.956 -3.002 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.957 -1.303 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.350 -2.156 2.460 1.00 0.00 H new ATOM 189 N ALA A 52 -3.527 -4.834 -3.584 1.00 0.00 N ATOM 190 CA ALA A 52 -4.543 -5.831 -4.034 1.00 0.00 C ATOM 191 C ALA A 52 -5.428 -6.256 -2.876 1.00 0.00 C ATOM 192 O ALA A 52 -5.126 -5.993 -1.729 1.00 0.00 O ATOM 193 CB ALA A 52 -3.803 -7.068 -4.567 1.00 0.00 C ATOM 0 H ALA A 52 -2.645 -5.229 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.167 -5.382 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.528 -7.810 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.167 -6.779 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.188 -7.494 -3.774 1.00 0.00 H new ATOM 199 N PHE A 53 -6.511 -6.908 -3.197 1.00 0.00 N ATOM 200 CA PHE A 53 -7.442 -7.365 -2.127 1.00 0.00 C ATOM 201 C PHE A 53 -8.266 -8.562 -2.592 1.00 0.00 C ATOM 202 O PHE A 53 -7.997 -9.144 -3.623 1.00 0.00 O ATOM 203 CB PHE A 53 -8.399 -6.205 -1.800 1.00 0.00 C ATOM 204 CG PHE A 53 -7.662 -5.162 -0.958 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.428 -5.382 0.386 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.224 -3.977 -1.531 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.770 -4.434 1.145 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.569 -3.033 -0.770 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.343 -3.260 0.565 1.00 0.00 C ATOM 0 H PHE A 53 -6.791 -7.143 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.863 -7.663 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.767 -5.752 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.268 -6.578 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.762 -6.301 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.398 -3.793 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.590 -4.614 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.233 -2.113 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.831 -2.518 1.160 1.00 0.00 H new ATOM 219 N VAL A 54 -9.261 -8.907 -1.808 1.00 0.00 N ATOM 220 CA VAL A 54 -10.135 -10.065 -2.165 1.00 0.00 C ATOM 221 C VAL A 54 -11.596 -9.718 -1.914 1.00 0.00 C ATOM 222 O VAL A 54 -12.456 -10.021 -2.717 1.00 0.00 O ATOM 223 CB VAL A 54 -9.751 -11.254 -1.271 1.00 0.00 C ATOM 224 CG1 VAL A 54 -10.558 -12.484 -1.693 1.00 0.00 C ATOM 225 CG2 VAL A 54 -8.260 -11.549 -1.443 1.00 0.00 C ATOM 0 H VAL A 54 -9.504 -8.435 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.002 -10.310 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.963 -11.015 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.289 -13.330 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.622 -12.275 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.339 -12.724 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.981 -12.392 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.055 -11.793 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.680 -10.672 -1.155 1.00 0.00 H new ATOM 235 N ARG A 55 -11.852 -9.083 -0.792 1.00 0.00 N ATOM 236 CA ARG A 55 -13.257 -8.698 -0.456 1.00 0.00 C ATOM 237 C ARG A 55 -13.505 -7.236 -0.806 1.00 0.00 C ATOM 238 O ARG A 55 -12.651 -6.575 -1.365 1.00 0.00 O ATOM 239 CB ARG A 55 -13.462 -8.880 1.059 1.00 0.00 C ATOM 240 CG ARG A 55 -13.526 -10.376 1.388 1.00 0.00 C ATOM 241 CD ARG A 55 -14.056 -10.554 2.812 1.00 0.00 C ATOM 242 NE ARG A 55 -13.788 -11.950 3.260 1.00 0.00 N ATOM 243 CZ ARG A 55 -12.586 -12.281 3.648 1.00 0.00 C ATOM 244 NH1 ARG A 55 -11.621 -11.411 3.521 1.00 0.00 N ATOM 245 NH2 ARG A 55 -12.390 -13.469 4.149 1.00 0.00 N ATOM 0 H ARG A 55 -11.151 -8.817 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.947 -9.323 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.645 -8.411 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.382 -8.387 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.175 -10.889 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.536 -10.824 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.574 -9.844 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.126 -10.347 2.844 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.538 -12.642 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.813 -10.491 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.675 -11.651 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.169 -14.122 4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.458 -13.745 4.457 1.00 0.00 H new ATOM 259 N ASN A 56 -14.674 -6.755 -0.471 1.00 0.00 N ATOM 260 CA ASN A 56 -15.004 -5.333 -0.776 1.00 0.00 C ATOM 261 C ASN A 56 -14.554 -4.408 0.352 1.00 0.00 C ATOM 262 O ASN A 56 -13.812 -3.471 0.129 1.00 0.00 O ATOM 263 CB ASN A 56 -16.530 -5.220 -0.928 1.00 0.00 C ATOM 264 CG ASN A 56 -16.869 -3.916 -1.653 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.352 -2.864 -1.334 1.00 0.00 O ATOM 266 ND2 ASN A 56 -17.731 -3.943 -2.632 1.00 0.00 N ATOM 0 H ASN A 56 -15.410 -7.283 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.489 -5.036 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.916 -6.072 -1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.007 -5.240 0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.968 -3.083 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.167 -4.824 -2.903 1.00 0.00 H new ATOM 273 N HIS A 57 -15.013 -4.693 1.547 1.00 0.00 N ATOM 274 CA HIS A 57 -14.632 -3.847 2.718 1.00 0.00 C ATOM 275 C HIS A 57 -13.172 -3.414 2.655 1.00 0.00 C ATOM 276 O HIS A 57 -12.877 -2.239 2.669 1.00 0.00 O ATOM 277 CB HIS A 57 -14.846 -4.669 4.001 1.00 0.00 C ATOM 278 CG HIS A 57 -16.188 -5.399 3.918 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.424 -6.523 4.412 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.367 -5.007 3.316 1.00 0.00 C ATOM 281 CE1 HIS A 57 -17.619 -6.885 4.192 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.304 -5.979 3.495 1.00 0.00 N ATOM 0 H HIS A 57 -15.634 -5.474 1.760 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.251 -2.950 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.036 -5.387 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -14.829 -4.015 4.873 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.522 -4.078 2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -18.035 -7.822 4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.273 -6.006 3.179 1.00 0.00 H new ATOM 290 N ASP A 58 -12.280 -4.366 2.584 1.00 0.00 N ATOM 291 CA ASP A 58 -10.839 -4.003 2.520 1.00 0.00 C ATOM 292 C ASP A 58 -10.613 -2.878 1.507 1.00 0.00 C ATOM 293 O ASP A 58 -9.813 -1.993 1.726 1.00 0.00 O ATOM 294 CB ASP A 58 -10.037 -5.249 2.092 1.00 0.00 C ATOM 295 CG ASP A 58 -10.673 -6.497 2.709 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.332 -6.325 3.721 1.00 0.00 O ATOM 297 OD2 ASP A 58 -10.464 -7.552 2.134 1.00 0.00 O ATOM 0 H ASP A 58 -12.485 -5.365 2.568 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.510 -3.657 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.025 -5.332 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.000 -5.157 2.416 1.00 0.00 H new ATOM 302 N LEU A 59 -11.329 -2.942 0.417 1.00 0.00 N ATOM 303 CA LEU A 59 -11.179 -1.895 -0.624 1.00 0.00 C ATOM 304 C LEU A 59 -11.810 -0.589 -0.136 1.00 0.00 C ATOM 305 O LEU A 59 -11.386 0.482 -0.507 1.00 0.00 O ATOM 306 CB LEU A 59 -11.913 -2.400 -1.907 1.00 0.00 C ATOM 307 CG LEU A 59 -11.137 -1.998 -3.188 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.009 -0.467 -3.258 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.719 -2.658 -3.199 1.00 0.00 C ATOM 0 H LEU A 59 -12.008 -3.673 0.206 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.127 -1.707 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.018 -3.484 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.920 -1.983 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.688 -2.352 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.463 -0.188 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.003 -0.020 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.470 -0.106 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.188 -2.365 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.157 -2.327 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.822 -3.743 -3.174 1.00 0.00 H new ATOM 321 N ILE A 60 -12.825 -0.707 0.681 1.00 0.00 N ATOM 322 CA ILE A 60 -13.482 0.519 1.195 1.00 0.00 C ATOM 323 C ILE A 60 -12.609 1.160 2.261 1.00 0.00 C ATOM 324 O ILE A 60 -12.461 2.364 2.308 1.00 0.00 O ATOM 325 CB ILE A 60 -14.833 0.138 1.817 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.648 -0.671 0.811 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.611 1.434 2.154 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.037 -0.964 1.395 1.00 0.00 C ATOM 0 H ILE A 60 -13.219 -1.589 1.008 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.630 1.223 0.376 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.667 -0.453 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -15.744 -0.118 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.135 -1.604 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.573 1.176 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.035 2.031 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -15.774 2.008 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.619 -1.542 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.931 -1.534 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.549 -0.025 1.605 1.00 0.00 H new ATOM 340 N ARG A 61 -12.046 0.337 3.103 1.00 0.00 N ATOM 341 CA ARG A 61 -11.176 0.869 4.175 1.00 0.00 C ATOM 342 C ARG A 61 -9.803 1.201 3.613 1.00 0.00 C ATOM 343 O ARG A 61 -8.926 1.646 4.327 1.00 0.00 O ATOM 344 CB ARG A 61 -11.026 -0.211 5.265 1.00 0.00 C ATOM 345 CG ARG A 61 -12.415 -0.551 5.852 1.00 0.00 C ATOM 346 CD ARG A 61 -12.795 0.485 6.925 1.00 0.00 C ATOM 347 NE ARG A 61 -14.071 0.053 7.581 1.00 0.00 N ATOM 348 CZ ARG A 61 -14.305 0.385 8.826 1.00 0.00 C ATOM 349 NH1 ARG A 61 -14.739 1.588 9.088 1.00 0.00 N ATOM 350 NH2 ARG A 61 -14.095 -0.498 9.763 1.00 0.00 N ATOM 0 H ARG A 61 -12.154 -0.677 3.091 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.619 1.774 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.569 -1.106 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.363 0.144 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.163 -0.558 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.402 -1.550 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.000 0.571 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.917 1.469 6.473 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.754 -0.497 7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.891 2.252 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.927 1.864 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.754 -1.428 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.271 -0.258 10.739 1.00 0.00 H new ATOM 364 N HIS A 62 -9.641 0.966 2.324 1.00 0.00 N ATOM 365 CA HIS A 62 -8.331 1.257 1.659 1.00 0.00 C ATOM 366 C HIS A 62 -8.477 2.437 0.681 1.00 0.00 C ATOM 367 O HIS A 62 -7.676 3.351 0.683 1.00 0.00 O ATOM 368 CB HIS A 62 -7.884 -0.010 0.877 1.00 0.00 C ATOM 369 CG HIS A 62 -6.804 0.374 -0.136 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.581 0.428 0.110 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.948 0.852 -1.417 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.935 0.904 -0.869 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.726 1.214 -1.891 1.00 0.00 N ATOM 0 H HIS A 62 -10.361 0.586 1.710 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.590 1.521 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.500 -0.761 1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.737 -0.455 0.365 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.157 0.127 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.879 0.928 -1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.864 1.042 -0.873 1.00 0.00 H new ATOM 381 N LYS A 63 -9.497 2.386 -0.134 1.00 0.00 N ATOM 382 CA LYS A 63 -9.717 3.485 -1.115 1.00 0.00 C ATOM 383 C LYS A 63 -9.979 4.808 -0.404 1.00 0.00 C ATOM 384 O LYS A 63 -9.780 5.866 -0.968 1.00 0.00 O ATOM 385 CB LYS A 63 -10.951 3.126 -1.964 1.00 0.00 C ATOM 386 CG LYS A 63 -11.182 4.210 -3.023 1.00 0.00 C ATOM 387 CD LYS A 63 -12.362 3.799 -3.909 1.00 0.00 C ATOM 388 CE LYS A 63 -12.660 4.918 -4.917 1.00 0.00 C ATOM 389 NZ LYS A 63 -14.032 4.759 -5.479 1.00 0.00 N ATOM 0 H LYS A 63 -10.184 1.633 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.827 3.596 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.805 2.159 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.830 3.034 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.387 5.167 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.285 4.342 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.130 2.873 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.241 3.605 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.570 5.889 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.925 4.896 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.219 5.523 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.105 3.840 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.730 4.802 -4.709 1.00 0.00 H new ATOM 403 N LYS A 64 -10.421 4.726 0.824 1.00 0.00 N ATOM 404 CA LYS A 64 -10.704 5.972 1.588 1.00 0.00 C ATOM 405 C LYS A 64 -9.605 7.009 1.386 1.00 0.00 C ATOM 406 O LYS A 64 -9.819 8.189 1.581 1.00 0.00 O ATOM 407 CB LYS A 64 -10.782 5.619 3.080 1.00 0.00 C ATOM 408 CG LYS A 64 -9.415 5.121 3.554 1.00 0.00 C ATOM 409 CD LYS A 64 -9.564 4.475 4.939 1.00 0.00 C ATOM 410 CE LYS A 64 -10.258 5.456 5.896 1.00 0.00 C ATOM 411 NZ LYS A 64 -9.990 5.078 7.310 1.00 0.00 N ATOM 0 H LYS A 64 -10.597 3.856 1.326 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.644 6.394 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.083 6.493 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.539 4.852 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.012 4.399 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.709 5.950 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.144 3.556 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.584 4.202 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.902 6.469 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.332 5.457 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.466 5.750 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.351 4.119 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.965 5.100 7.487 1.00 0.00 H new ATOM 425 N SER A 65 -8.443 6.552 0.999 1.00 0.00 N ATOM 426 CA SER A 65 -7.320 7.501 0.780 1.00 0.00 C ATOM 427 C SER A 65 -7.416 8.147 -0.599 1.00 0.00 C ATOM 428 O SER A 65 -7.097 9.307 -0.765 1.00 0.00 O ATOM 429 CB SER A 65 -6.001 6.718 0.866 1.00 0.00 C ATOM 430 OG SER A 65 -6.207 5.591 0.027 1.00 0.00 O ATOM 0 H SER A 65 -8.227 5.570 0.827 1.00 0.00 H new ATOM 0 HA SER A 65 -7.363 8.284 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.158 7.319 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.783 6.417 1.891 1.00 0.00 H new ATOM 0 HG SER A 65 -6.637 4.875 0.540 1.00 0.00 H new ATOM 436 N HIS A 66 -7.857 7.383 -1.565 1.00 0.00 N ATOM 437 CA HIS A 66 -7.979 7.942 -2.940 1.00 0.00 C ATOM 438 C HIS A 66 -9.275 8.727 -3.112 1.00 0.00 C ATOM 439 O HIS A 66 -9.728 8.925 -4.223 1.00 0.00 O ATOM 440 CB HIS A 66 -8.019 6.782 -3.945 1.00 0.00 C ATOM 441 CG HIS A 66 -6.850 5.823 -3.720 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.660 6.158 -3.559 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.845 4.448 -3.743 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.900 5.142 -3.487 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.574 3.998 -3.597 1.00 0.00 N ATOM 0 H HIS A 66 -8.135 6.407 -1.461 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.128 8.602 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.961 6.243 -3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.982 7.175 -4.961 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.338 7.124 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.718 3.823 -3.859 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.830 5.199 -3.352 1.00 0.00 H new ATOM 453 N GLN A 67 -9.862 9.167 -2.020 1.00 0.00 N ATOM 454 CA GLN A 67 -11.141 9.945 -2.138 1.00 0.00 C ATOM 455 C GLN A 67 -11.214 11.079 -1.099 1.00 0.00 C ATOM 456 O GLN A 67 -10.976 12.226 -1.424 1.00 0.00 O ATOM 457 CB GLN A 67 -12.322 8.953 -1.926 1.00 0.00 C ATOM 458 CG GLN A 67 -13.571 9.483 -2.650 1.00 0.00 C ATOM 459 CD GLN A 67 -14.828 8.817 -2.070 1.00 0.00 C ATOM 460 OE1 GLN A 67 -15.940 9.173 -2.404 1.00 0.00 O ATOM 461 NE2 GLN A 67 -14.695 7.852 -1.203 1.00 0.00 N ATOM 0 H GLN A 67 -9.519 9.025 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.192 10.409 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.057 7.968 -2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.527 8.837 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.636 10.565 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.499 9.277 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.764 7.547 -0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.522 7.402 -0.810 1.00 0.00 H new ATOM 470 N GLU A 68 -11.540 10.743 0.126 1.00 0.00 N ATOM 471 CA GLU A 68 -11.629 11.795 1.180 1.00 0.00 C ATOM 472 C GLU A 68 -12.329 13.052 0.655 1.00 0.00 C ATOM 473 O GLU A 68 -11.691 13.945 0.134 1.00 0.00 O ATOM 474 CB GLU A 68 -10.202 12.169 1.612 1.00 0.00 C ATOM 475 CG GLU A 68 -10.270 13.290 2.654 1.00 0.00 C ATOM 476 CD GLU A 68 -8.898 13.457 3.311 1.00 0.00 C ATOM 477 OE1 GLU A 68 -7.952 12.964 2.722 1.00 0.00 O ATOM 478 OE2 GLU A 68 -8.875 14.070 4.367 1.00 0.00 O ATOM 0 H GLU A 68 -11.746 9.794 0.437 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.207 11.404 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.695 11.299 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.621 12.493 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.575 14.223 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.021 13.055 3.409 1.00 0.00 H new ATOM 485 N LYS A 69 -13.640 13.094 0.799 1.00 0.00 N ATOM 486 CA LYS A 69 -14.412 14.290 0.313 1.00 0.00 C ATOM 487 C LYS A 69 -14.863 15.160 1.480 1.00 0.00 C ATOM 488 O LYS A 69 -14.401 15.000 2.592 1.00 0.00 O ATOM 489 CB LYS A 69 -15.669 13.793 -0.430 1.00 0.00 C ATOM 490 CG LYS A 69 -15.255 13.030 -1.724 1.00 0.00 C ATOM 491 CD LYS A 69 -16.308 13.246 -2.830 1.00 0.00 C ATOM 492 CE LYS A 69 -17.624 12.571 -2.425 1.00 0.00 C ATOM 493 NZ LYS A 69 -17.499 11.090 -2.515 1.00 0.00 N ATOM 0 H LYS A 69 -14.202 12.359 1.228 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.768 14.878 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.250 13.137 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.309 14.638 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.281 13.380 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.154 11.966 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.469 14.312 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.950 12.832 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.889 12.858 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.430 12.914 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.987 10.651 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.929 10.759 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.494 10.825 -2.498 1.00 0.00 H new ATOM 507 N ALA A 70 -15.763 16.068 1.201 1.00 0.00 N ATOM 508 CA ALA A 70 -16.266 16.965 2.275 1.00 0.00 C ATOM 509 C ALA A 70 -15.125 17.467 3.153 1.00 0.00 C ATOM 510 O ALA A 70 -15.353 17.536 4.350 1.00 0.00 O ATOM 511 CB ALA A 70 -17.250 16.172 3.148 1.00 0.00 C ATOM 512 OXT ALA A 70 -14.087 17.753 2.580 1.00 0.00 O ATOM 0 H ALA A 70 -16.168 16.224 0.278 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.752 17.826 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.630 16.814 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.081 15.823 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.738 15.316 3.587 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.255 2.030 -3.643 1.00 0.00 ZN