USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 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 64 LYS NZ :NH3+ -161:sc= -2.58 (180deg=-4.13) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.188 K(o=-2.8,f=-3.7) USER MOD Set 2.1: A 42 TYR OH : rot 165:sc= -0.862 USER MOD Set 2.2: A 56 ASN : amide:sc= -3.18! C(o=-4!,f=-7.6!) USER MOD Single : A 43 SER OG : rot 65:sc= 0.686 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -5.62! C(o=-7.6!,f=-5.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2.5!) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -0.248 (180deg=-1.21!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= -0.0158 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -9.777 -13.871 -10.022 1.00 0.00 N ATOM 2 CA ASP A 39 -9.516 -13.710 -8.573 1.00 0.00 C ATOM 3 C ASP A 39 -9.314 -12.236 -8.240 1.00 0.00 C ATOM 4 O ASP A 39 -9.257 -11.400 -9.119 1.00 0.00 O ATOM 5 CB ASP A 39 -8.247 -14.484 -8.178 1.00 0.00 C ATOM 6 CG ASP A 39 -8.557 -15.983 -8.158 1.00 0.00 C ATOM 7 OD1 ASP A 39 -9.263 -16.401 -9.061 1.00 0.00 O ATOM 8 OD2 ASP A 39 -8.070 -16.624 -7.242 1.00 0.00 O ATOM 0 HA ASP A 39 -10.372 -14.099 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.445 -14.276 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.899 -14.159 -7.197 1.00 0.00 H new ATOM 15 N ARG A 40 -9.209 -11.945 -6.972 1.00 0.00 N ATOM 16 CA ARG A 40 -9.009 -10.533 -6.555 1.00 0.00 C ATOM 17 C ARG A 40 -9.932 -9.582 -7.340 1.00 0.00 C ATOM 18 O ARG A 40 -9.468 -8.754 -8.098 1.00 0.00 O ATOM 19 CB ARG A 40 -7.550 -10.151 -6.849 1.00 0.00 C ATOM 20 CG ARG A 40 -6.621 -11.120 -6.114 1.00 0.00 C ATOM 21 CD ARG A 40 -5.176 -10.845 -6.533 1.00 0.00 C ATOM 22 NE ARG A 40 -4.311 -11.952 -6.036 1.00 0.00 N ATOM 23 CZ ARG A 40 -3.036 -11.941 -6.314 1.00 0.00 C ATOM 24 NH1 ARG A 40 -2.624 -11.277 -7.359 1.00 0.00 N ATOM 25 NH2 ARG A 40 -2.216 -12.597 -5.538 1.00 0.00 N ATOM 0 H ARG A 40 -9.253 -12.623 -6.211 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.242 -10.442 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.360 -10.189 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.357 -9.128 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.729 -11.000 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.891 -12.150 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.106 -10.770 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.840 -9.892 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.711 -12.711 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.295 -10.778 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.631 -11.257 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.575 -13.106 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.216 -12.600 -5.739 1.00 0.00 H new ATOM 39 N PRO A 41 -11.242 -9.723 -7.138 1.00 0.00 N ATOM 40 CA PRO A 41 -12.211 -8.872 -7.829 1.00 0.00 C ATOM 41 C PRO A 41 -12.079 -7.406 -7.388 1.00 0.00 C ATOM 42 O PRO A 41 -12.593 -6.514 -8.034 1.00 0.00 O ATOM 43 CB PRO A 41 -13.611 -9.439 -7.415 1.00 0.00 C ATOM 44 CG PRO A 41 -13.357 -10.578 -6.367 1.00 0.00 C ATOM 45 CD PRO A 41 -11.821 -10.733 -6.223 1.00 0.00 C ATOM 0 HA PRO A 41 -12.057 -8.883 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.233 -8.653 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.142 -9.827 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.810 -10.327 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.809 -11.513 -6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.503 -10.562 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.500 -11.739 -6.493 1.00 0.00 H new ATOM 53 N TYR A 42 -11.384 -7.193 -6.290 1.00 0.00 N ATOM 54 CA TYR A 42 -11.198 -5.799 -5.776 1.00 0.00 C ATOM 55 C TYR A 42 -9.788 -5.322 -6.016 1.00 0.00 C ATOM 56 O TYR A 42 -8.993 -5.239 -5.113 1.00 0.00 O ATOM 57 CB TYR A 42 -11.468 -5.794 -4.262 1.00 0.00 C ATOM 58 CG TYR A 42 -12.958 -6.036 -4.025 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.883 -5.072 -4.368 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.399 -7.220 -3.477 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.229 -5.289 -4.167 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.747 -7.439 -3.275 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.672 -6.475 -3.619 1.00 0.00 C ATOM 64 OH TYR A 42 -17.020 -6.694 -3.421 1.00 0.00 O ATOM 0 H TYR A 42 -10.941 -7.923 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.887 -5.136 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.878 -6.568 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.167 -4.840 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.550 -4.139 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.685 -7.983 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.942 -4.525 -4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.080 -8.372 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.176 -7.648 -3.258 1.00 0.00 H new ATOM 74 N SER A 43 -9.502 -5.029 -7.243 1.00 0.00 N ATOM 75 CA SER A 43 -8.133 -4.544 -7.599 1.00 0.00 C ATOM 76 C SER A 43 -8.138 -3.037 -7.804 1.00 0.00 C ATOM 77 O SER A 43 -8.205 -2.563 -8.921 1.00 0.00 O ATOM 78 CB SER A 43 -7.718 -5.211 -8.914 1.00 0.00 C ATOM 79 OG SER A 43 -8.828 -5.002 -9.775 1.00 0.00 O ATOM 0 H SER A 43 -10.153 -5.101 -8.025 1.00 0.00 H new ATOM 0 HA SER A 43 -7.442 -4.791 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.810 -4.764 -9.319 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.516 -6.273 -8.776 1.00 0.00 H new ATOM 0 HG SER A 43 -8.933 -4.043 -9.946 1.00 0.00 H new ATOM 85 N CYS A 44 -8.067 -2.298 -6.721 1.00 0.00 N ATOM 86 CA CYS A 44 -8.068 -0.823 -6.851 1.00 0.00 C ATOM 87 C CYS A 44 -7.103 -0.372 -7.943 1.00 0.00 C ATOM 88 O CYS A 44 -6.106 -1.018 -8.198 1.00 0.00 O ATOM 89 CB CYS A 44 -7.618 -0.225 -5.515 1.00 0.00 C ATOM 90 SG CYS A 44 -7.406 1.565 -5.436 1.00 0.00 S ATOM 0 H CYS A 44 -8.009 -2.656 -5.768 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.071 -0.488 -7.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.345 -0.512 -4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.671 -0.689 -5.240 1.00 0.00 H new ATOM 95 N ASP A 45 -7.418 0.736 -8.571 1.00 0.00 N ATOM 96 CA ASP A 45 -6.531 1.255 -9.659 1.00 0.00 C ATOM 97 C ASP A 45 -6.412 2.769 -9.578 1.00 0.00 C ATOM 98 O ASP A 45 -6.625 3.465 -10.551 1.00 0.00 O ATOM 99 CB ASP A 45 -7.161 0.883 -11.010 1.00 0.00 C ATOM 100 CG ASP A 45 -8.645 1.257 -11.000 1.00 0.00 C ATOM 101 OD1 ASP A 45 -8.982 2.116 -10.201 1.00 0.00 O ATOM 102 OD2 ASP A 45 -9.360 0.662 -11.791 1.00 0.00 O ATOM 0 H ASP A 45 -8.246 1.300 -8.378 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.538 0.818 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.649 1.405 -11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.045 -0.185 -11.196 1.00 0.00 H new ATOM 107 N HIS A 46 -6.069 3.256 -8.412 1.00 0.00 N ATOM 108 CA HIS A 46 -5.926 4.728 -8.238 1.00 0.00 C ATOM 109 C HIS A 46 -4.491 5.163 -8.648 1.00 0.00 C ATOM 110 O HIS A 46 -3.543 4.453 -8.375 1.00 0.00 O ATOM 111 CB HIS A 46 -6.148 5.029 -6.735 1.00 0.00 C ATOM 112 CG HIS A 46 -5.686 6.450 -6.394 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.445 6.897 -5.990 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.415 7.465 -6.419 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -4.502 8.242 -5.782 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -5.776 8.505 -6.076 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.883 2.698 -7.578 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.643 5.267 -8.857 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.204 4.915 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.599 4.308 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.458 7.457 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.722 8.917 -5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.189 9.436 -6.030 1.00 0.00 H new ATOM 124 N PRO A 47 -4.343 6.327 -9.303 1.00 0.00 N ATOM 125 CA PRO A 47 -3.016 6.786 -9.712 1.00 0.00 C ATOM 126 C PRO A 47 -2.027 6.753 -8.541 1.00 0.00 C ATOM 127 O PRO A 47 -2.212 7.430 -7.548 1.00 0.00 O ATOM 128 CB PRO A 47 -3.231 8.249 -10.220 1.00 0.00 C ATOM 129 CG PRO A 47 -4.775 8.526 -10.187 1.00 0.00 C ATOM 130 CD PRO A 47 -5.455 7.240 -9.648 1.00 0.00 C ATOM 0 HA PRO A 47 -2.588 6.143 -10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.699 8.959 -9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.840 8.367 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.000 9.379 -9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.145 8.769 -11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.071 7.457 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.110 6.797 -10.398 1.00 0.00 H new ATOM 138 N GLY A 48 -0.997 5.962 -8.688 1.00 0.00 N ATOM 139 CA GLY A 48 0.020 5.866 -7.600 1.00 0.00 C ATOM 140 C GLY A 48 -0.433 4.877 -6.523 1.00 0.00 C ATOM 141 O GLY A 48 -0.356 5.166 -5.345 1.00 0.00 O ATOM 0 H GLY A 48 -0.817 5.382 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.976 5.546 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.178 6.849 -7.155 1.00 0.00 H new ATOM 145 N CYS A 49 -0.903 3.721 -6.952 1.00 0.00 N ATOM 146 CA CYS A 49 -1.372 2.688 -5.971 1.00 0.00 C ATOM 147 C CYS A 49 -0.751 1.335 -6.265 1.00 0.00 C ATOM 148 O CYS A 49 -0.204 1.109 -7.326 1.00 0.00 O ATOM 149 CB CYS A 49 -2.893 2.549 -6.094 1.00 0.00 C ATOM 150 SG CYS A 49 -3.672 1.200 -5.170 1.00 0.00 S ATOM 0 H CYS A 49 -0.980 3.453 -7.933 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.080 3.005 -4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.346 3.486 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.138 2.423 -7.149 1.00 0.00 H new ATOM 155 N ASP A 50 -0.853 0.458 -5.312 1.00 0.00 N ATOM 156 CA ASP A 50 -0.284 -0.897 -5.491 1.00 0.00 C ATOM 157 C ASP A 50 -0.662 -1.785 -4.312 1.00 0.00 C ATOM 158 O ASP A 50 0.192 -2.330 -3.642 1.00 0.00 O ATOM 159 CB ASP A 50 1.248 -0.776 -5.555 1.00 0.00 C ATOM 160 CG ASP A 50 1.729 0.158 -4.443 1.00 0.00 C ATOM 161 OD1 ASP A 50 0.945 0.361 -3.531 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.852 0.618 -4.569 1.00 0.00 O ATOM 0 H ASP A 50 -1.308 0.623 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.675 -1.339 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.707 -1.759 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.553 -0.390 -6.527 1.00 0.00 H new ATOM 167 N LYS A 51 -1.951 -1.913 -4.079 1.00 0.00 N ATOM 168 CA LYS A 51 -2.431 -2.764 -2.943 1.00 0.00 C ATOM 169 C LYS A 51 -3.585 -3.658 -3.381 1.00 0.00 C ATOM 170 O LYS A 51 -4.730 -3.250 -3.365 1.00 0.00 O ATOM 171 CB LYS A 51 -2.932 -1.829 -1.826 1.00 0.00 C ATOM 172 CG LYS A 51 -1.709 -1.111 -1.134 1.00 0.00 C ATOM 173 CD LYS A 51 -1.577 -1.575 0.333 1.00 0.00 C ATOM 174 CE LYS A 51 -2.652 -0.886 1.186 1.00 0.00 C ATOM 175 NZ LYS A 51 -2.870 -1.635 2.455 1.00 0.00 N ATOM 0 H LYS A 51 -2.687 -1.466 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.612 -3.396 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.613 -1.086 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.494 -2.400 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.791 -1.335 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.845 -0.030 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.687 -2.658 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.585 -1.333 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.348 0.137 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.586 -0.827 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.600 -1.156 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.181 -2.603 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.982 -1.670 2.995 1.00 0.00 H new ATOM 189 N ALA A 52 -3.265 -4.863 -3.763 1.00 0.00 N ATOM 190 CA ALA A 52 -4.331 -5.795 -4.203 1.00 0.00 C ATOM 191 C ALA A 52 -5.201 -6.213 -3.030 1.00 0.00 C ATOM 192 O ALA A 52 -4.825 -6.058 -1.885 1.00 0.00 O ATOM 193 CB ALA A 52 -3.670 -7.044 -4.801 1.00 0.00 C ATOM 0 H ALA A 52 -2.317 -5.238 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.958 -5.295 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.441 -7.741 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.053 -6.757 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.046 -7.523 -4.046 1.00 0.00 H new ATOM 199 N PHE A 53 -6.355 -6.740 -3.339 1.00 0.00 N ATOM 200 CA PHE A 53 -7.284 -7.183 -2.258 1.00 0.00 C ATOM 201 C PHE A 53 -8.095 -8.396 -2.706 1.00 0.00 C ATOM 202 O PHE A 53 -7.776 -9.032 -3.690 1.00 0.00 O ATOM 203 CB PHE A 53 -8.249 -6.022 -1.958 1.00 0.00 C ATOM 204 CG PHE A 53 -7.507 -4.941 -1.165 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.249 -5.108 0.185 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.083 -3.779 -1.790 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.579 -4.131 0.894 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.415 -2.805 -1.078 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.163 -2.982 0.262 1.00 0.00 C ATOM 0 H PHE A 53 -6.695 -6.883 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.708 -7.458 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.636 -5.606 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.106 -6.383 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.574 -6.008 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.277 -3.635 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.381 -4.269 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.089 -1.902 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.639 -2.219 0.818 1.00 0.00 H new ATOM 219 N VAL A 54 -9.129 -8.694 -1.970 1.00 0.00 N ATOM 220 CA VAL A 54 -9.977 -9.854 -2.328 1.00 0.00 C ATOM 221 C VAL A 54 -11.325 -9.747 -1.629 1.00 0.00 C ATOM 222 O VAL A 54 -12.353 -10.072 -2.188 1.00 0.00 O ATOM 223 CB VAL A 54 -9.239 -11.141 -1.876 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.425 -11.375 -0.367 1.00 0.00 C ATOM 225 CG2 VAL A 54 -9.800 -12.339 -2.644 1.00 0.00 C ATOM 0 H VAL A 54 -9.420 -8.182 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.154 -9.880 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.175 -11.025 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.899 -12.283 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.022 -10.526 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.486 -11.482 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.284 -13.246 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.866 -12.437 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.650 -12.188 -3.713 1.00 0.00 H new ATOM 235 N ARG A 55 -11.280 -9.302 -0.405 1.00 0.00 N ATOM 236 CA ARG A 55 -12.537 -9.151 0.384 1.00 0.00 C ATOM 237 C ARG A 55 -13.107 -7.756 0.221 1.00 0.00 C ATOM 238 O ARG A 55 -12.400 -6.779 0.370 1.00 0.00 O ATOM 239 CB ARG A 55 -12.207 -9.335 1.881 1.00 0.00 C ATOM 240 CG ARG A 55 -11.780 -10.799 2.153 1.00 0.00 C ATOM 241 CD ARG A 55 -12.107 -11.172 3.608 1.00 0.00 C ATOM 242 NE ARG A 55 -11.396 -10.235 4.524 1.00 0.00 N ATOM 243 CZ ARG A 55 -11.360 -10.494 5.803 1.00 0.00 C ATOM 244 NH1 ARG A 55 -11.023 -11.692 6.195 1.00 0.00 N ATOM 245 NH2 ARG A 55 -11.664 -9.546 6.648 1.00 0.00 N ATOM 0 H ARG A 55 -10.426 -9.035 0.085 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.256 -9.891 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.407 -8.654 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.077 -9.082 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.298 -11.472 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.712 -10.917 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.183 -11.119 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.803 -12.199 3.810 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.942 -9.400 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.793 -12.408 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.989 -11.912 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.924 -8.621 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.641 -9.730 7.651 1.00 0.00 H new ATOM 259 N ASN A 56 -14.373 -7.672 -0.084 1.00 0.00 N ATOM 260 CA ASN A 56 -14.970 -6.329 -0.248 1.00 0.00 C ATOM 261 C ASN A 56 -14.711 -5.524 1.012 1.00 0.00 C ATOM 262 O ASN A 56 -14.074 -6.008 1.917 1.00 0.00 O ATOM 263 CB ASN A 56 -16.488 -6.484 -0.448 1.00 0.00 C ATOM 264 CG ASN A 56 -17.068 -5.167 -0.969 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.390 -4.385 -1.606 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.318 -4.884 -0.721 1.00 0.00 N ATOM 0 H ASN A 56 -15.004 -8.461 -0.223 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.533 -5.822 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.693 -7.289 -1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.964 -6.757 0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.720 -4.011 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.892 -5.536 -0.187 1.00 0.00 H new ATOM 273 N HIS A 57 -15.222 -4.329 1.062 1.00 0.00 N ATOM 274 CA HIS A 57 -15.002 -3.485 2.271 1.00 0.00 C ATOM 275 C HIS A 57 -13.550 -3.021 2.325 1.00 0.00 C ATOM 276 O HIS A 57 -13.282 -1.838 2.306 1.00 0.00 O ATOM 277 CB HIS A 57 -15.338 -4.302 3.547 1.00 0.00 C ATOM 278 CG HIS A 57 -16.481 -5.274 3.246 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.494 -6.480 3.564 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.677 -5.051 2.592 1.00 0.00 C ATOM 281 CE1 HIS A 57 -17.563 -7.049 3.189 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.387 -6.213 2.556 1.00 0.00 N ATOM 0 H HIS A 57 -15.780 -3.899 0.324 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.653 -2.612 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.458 -4.851 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.622 -3.630 4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.998 -4.107 2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -17.782 -8.092 3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.306 -6.395 2.152 1.00 0.00 H new ATOM 290 N ASP A 58 -12.626 -3.958 2.395 1.00 0.00 N ATOM 291 CA ASP A 58 -11.201 -3.558 2.448 1.00 0.00 C ATOM 292 C ASP A 58 -10.913 -2.540 1.352 1.00 0.00 C ATOM 293 O ASP A 58 -10.152 -1.618 1.540 1.00 0.00 O ATOM 294 CB ASP A 58 -10.336 -4.805 2.213 1.00 0.00 C ATOM 295 CG ASP A 58 -8.890 -4.495 2.592 1.00 0.00 C ATOM 296 OD1 ASP A 58 -8.540 -3.331 2.487 1.00 0.00 O ATOM 297 OD2 ASP A 58 -8.214 -5.438 2.968 1.00 0.00 O ATOM 0 H ASP A 58 -12.804 -4.962 2.417 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.977 -3.116 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.709 -5.638 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.393 -5.109 1.168 1.00 0.00 H new ATOM 302 N LEU A 59 -11.544 -2.738 0.222 1.00 0.00 N ATOM 303 CA LEU A 59 -11.339 -1.805 -0.916 1.00 0.00 C ATOM 304 C LEU A 59 -12.040 -0.482 -0.615 1.00 0.00 C ATOM 305 O LEU A 59 -11.571 0.573 -0.987 1.00 0.00 O ATOM 306 CB LEU A 59 -11.965 -2.469 -2.183 1.00 0.00 C ATOM 307 CG LEU A 59 -11.135 -2.141 -3.441 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.073 -0.616 -3.627 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.693 -2.734 -3.310 1.00 0.00 C ATOM 0 H LEU A 59 -12.191 -3.506 0.043 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.279 -1.607 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.014 -3.549 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.988 -2.117 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.610 -2.590 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.487 -0.381 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.083 -0.222 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.605 -0.162 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.119 -2.495 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.201 -2.305 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.754 -3.816 -3.196 1.00 0.00 H new ATOM 321 N ILE A 60 -13.156 -0.567 0.055 1.00 0.00 N ATOM 322 CA ILE A 60 -13.891 0.668 0.387 1.00 0.00 C ATOM 323 C ILE A 60 -13.123 1.440 1.444 1.00 0.00 C ATOM 324 O ILE A 60 -13.176 2.652 1.501 1.00 0.00 O ATOM 325 CB ILE A 60 -15.268 0.284 0.936 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.909 -0.759 0.024 1.00 0.00 C ATOM 327 CG2 ILE A 60 -16.160 1.542 0.955 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.334 -1.055 0.508 1.00 0.00 C ATOM 0 H ILE A 60 -13.582 -1.435 0.381 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.004 1.289 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.162 -0.124 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -15.931 -0.395 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.316 -1.673 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.145 1.284 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.706 2.301 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.261 1.932 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.792 -1.800 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.300 -1.437 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.924 -0.139 0.483 1.00 0.00 H new ATOM 340 N ARG A 61 -12.418 0.710 2.272 1.00 0.00 N ATOM 341 CA ARG A 61 -11.627 1.361 3.342 1.00 0.00 C ATOM 342 C ARG A 61 -10.285 1.793 2.781 1.00 0.00 C ATOM 343 O ARG A 61 -9.744 2.812 3.160 1.00 0.00 O ATOM 344 CB ARG A 61 -11.392 0.337 4.464 1.00 0.00 C ATOM 345 CG ARG A 61 -10.560 0.988 5.573 1.00 0.00 C ATOM 346 CD ARG A 61 -10.505 0.045 6.777 1.00 0.00 C ATOM 347 NE ARG A 61 -9.435 0.516 7.710 1.00 0.00 N ATOM 348 CZ ARG A 61 -8.859 -0.337 8.517 1.00 0.00 C ATOM 349 NH1 ARG A 61 -9.592 -1.239 9.111 1.00 0.00 N ATOM 350 NH2 ARG A 61 -7.570 -0.258 8.703 1.00 0.00 N ATOM 0 H ARG A 61 -12.361 -0.308 2.247 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.160 2.231 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.346 -0.008 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.875 -0.539 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.553 1.198 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.000 1.942 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.469 0.027 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.298 -0.974 6.449 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.156 1.497 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.597 -1.271 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.159 -1.912 9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.029 0.461 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.104 -0.915 9.329 1.00 0.00 H new ATOM 364 N HIS A 62 -9.767 0.995 1.877 1.00 0.00 N ATOM 365 CA HIS A 62 -8.462 1.330 1.268 1.00 0.00 C ATOM 366 C HIS A 62 -8.650 2.434 0.225 1.00 0.00 C ATOM 367 O HIS A 62 -7.781 3.259 0.024 1.00 0.00 O ATOM 368 CB HIS A 62 -7.889 0.049 0.589 1.00 0.00 C ATOM 369 CG HIS A 62 -6.850 0.435 -0.470 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.617 0.460 -0.286 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.045 0.898 -1.755 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.005 0.897 -1.305 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.837 1.209 -2.300 1.00 0.00 N ATOM 0 H HIS A 62 -10.197 0.133 1.543 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.771 1.684 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.433 -0.597 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.696 -0.520 0.128 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.159 0.166 0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.001 0.997 -2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.932 1.005 -1.362 1.00 0.00 H new ATOM 381 N LYS A 63 -9.788 2.425 -0.414 1.00 0.00 N ATOM 382 CA LYS A 63 -10.056 3.453 -1.437 1.00 0.00 C ATOM 383 C LYS A 63 -10.308 4.802 -0.784 1.00 0.00 C ATOM 384 O LYS A 63 -10.277 5.827 -1.436 1.00 0.00 O ATOM 385 CB LYS A 63 -11.304 3.027 -2.224 1.00 0.00 C ATOM 386 CG LYS A 63 -11.658 4.119 -3.247 1.00 0.00 C ATOM 387 CD LYS A 63 -12.703 3.583 -4.247 1.00 0.00 C ATOM 388 CE LYS A 63 -14.088 3.567 -3.589 1.00 0.00 C ATOM 389 NZ LYS A 63 -14.436 4.919 -3.069 1.00 0.00 N ATOM 0 H LYS A 63 -10.537 1.748 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.194 3.547 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.121 2.081 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.140 2.866 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.050 4.997 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.761 4.435 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.721 4.209 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.431 2.578 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.837 3.246 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.101 2.843 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.448 5.101 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.229 4.963 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.874 5.638 -3.568 1.00 0.00 H new ATOM 403 N LYS A 64 -10.555 4.778 0.499 1.00 0.00 N ATOM 404 CA LYS A 64 -10.813 6.050 1.222 1.00 0.00 C ATOM 405 C LYS A 64 -9.488 6.738 1.548 1.00 0.00 C ATOM 406 O LYS A 64 -9.452 7.908 1.874 1.00 0.00 O ATOM 407 CB LYS A 64 -11.563 5.704 2.540 1.00 0.00 C ATOM 408 CG LYS A 64 -11.698 6.950 3.462 1.00 0.00 C ATOM 409 CD LYS A 64 -12.481 8.087 2.756 1.00 0.00 C ATOM 410 CE LYS A 64 -13.858 7.573 2.277 1.00 0.00 C ATOM 411 NZ LYS A 64 -13.766 7.020 0.894 1.00 0.00 N ATOM 0 H LYS A 64 -10.588 3.935 1.072 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.411 6.723 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.554 5.315 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.028 4.915 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.209 6.670 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.707 7.307 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.616 8.924 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.908 8.459 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.221 6.803 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.583 8.387 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.716 6.981 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.155 7.631 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.363 6.062 0.929 1.00 0.00 H new ATOM 425 N SER A 65 -8.416 5.992 1.443 1.00 0.00 N ATOM 426 CA SER A 65 -7.081 6.576 1.742 1.00 0.00 C ATOM 427 C SER A 65 -6.563 7.393 0.563 1.00 0.00 C ATOM 428 O SER A 65 -5.694 8.227 0.720 1.00 0.00 O ATOM 429 CB SER A 65 -6.100 5.424 2.009 1.00 0.00 C ATOM 430 OG SER A 65 -6.814 4.554 2.874 1.00 0.00 O ATOM 0 H SER A 65 -8.411 5.011 1.165 1.00 0.00 H new ATOM 0 HA SER A 65 -7.168 7.232 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.815 4.921 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.181 5.782 2.474 1.00 0.00 H new ATOM 0 HG SER A 65 -6.254 3.781 3.096 1.00 0.00 H new ATOM 436 N HIS A 66 -7.104 7.142 -0.600 1.00 0.00 N ATOM 437 CA HIS A 66 -6.647 7.902 -1.791 1.00 0.00 C ATOM 438 C HIS A 66 -7.195 9.327 -1.768 1.00 0.00 C ATOM 439 O HIS A 66 -7.277 9.981 -2.789 1.00 0.00 O ATOM 440 CB HIS A 66 -7.158 7.180 -3.054 1.00 0.00 C ATOM 441 CG HIS A 66 -6.254 5.977 -3.346 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.010 6.023 -3.431 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.587 4.653 -3.563 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.518 4.880 -3.676 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.455 3.936 -3.779 1.00 0.00 N ATOM 0 H HIS A 66 -7.834 6.451 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.558 7.953 -1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.187 6.850 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.160 7.864 -3.903 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.458 6.873 -3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.590 4.252 -3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.460 4.692 -3.788 1.00 0.00 H new ATOM 453 N GLN A 67 -7.560 9.781 -0.598 1.00 0.00 N ATOM 454 CA GLN A 67 -8.103 11.158 -0.481 1.00 0.00 C ATOM 455 C GLN A 67 -8.050 11.634 0.969 1.00 0.00 C ATOM 456 O GLN A 67 -8.793 12.508 1.367 1.00 0.00 O ATOM 457 CB GLN A 67 -9.568 11.152 -0.957 1.00 0.00 C ATOM 458 CG GLN A 67 -10.280 9.930 -0.377 1.00 0.00 C ATOM 459 CD GLN A 67 -11.791 10.096 -0.552 1.00 0.00 C ATOM 460 OE1 GLN A 67 -12.464 9.235 -1.082 1.00 0.00 O ATOM 461 NE2 GLN A 67 -12.362 11.188 -0.121 1.00 0.00 N ATOM 0 H GLN A 67 -7.504 9.258 0.276 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.504 11.832 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.070 12.066 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.609 11.129 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.941 9.024 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.034 9.819 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.802 11.915 0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.368 11.315 -0.230 1.00 0.00 H new ATOM 470 N GLU A 68 -7.164 11.044 1.729 1.00 0.00 N ATOM 471 CA GLU A 68 -7.033 11.439 3.160 1.00 0.00 C ATOM 472 C GLU A 68 -5.633 11.111 3.675 1.00 0.00 C ATOM 473 O GLU A 68 -4.735 10.839 2.904 1.00 0.00 O ATOM 474 CB GLU A 68 -8.065 10.641 3.984 1.00 0.00 C ATOM 475 CG GLU A 68 -9.470 11.199 3.728 1.00 0.00 C ATOM 476 CD GLU A 68 -10.427 10.657 4.790 1.00 0.00 C ATOM 477 OE1 GLU A 68 -10.706 9.472 4.714 1.00 0.00 O ATOM 478 OE2 GLU A 68 -10.826 11.459 5.620 1.00 0.00 O ATOM 0 H GLU A 68 -6.528 10.308 1.420 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.205 12.511 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.026 9.586 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.825 10.704 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.453 12.288 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.812 10.913 2.733 1.00 0.00 H new ATOM 485 N LYS A 69 -5.473 11.140 4.975 1.00 0.00 N ATOM 486 CA LYS A 69 -4.137 10.832 5.562 1.00 0.00 C ATOM 487 C LYS A 69 -4.284 10.274 6.974 1.00 0.00 C ATOM 488 O LYS A 69 -3.765 10.829 7.922 1.00 0.00 O ATOM 489 CB LYS A 69 -3.321 12.135 5.626 1.00 0.00 C ATOM 490 CG LYS A 69 -1.847 11.794 5.859 1.00 0.00 C ATOM 491 CD LYS A 69 -1.032 13.090 5.883 1.00 0.00 C ATOM 492 CE LYS A 69 0.459 12.751 5.828 1.00 0.00 C ATOM 493 NZ LYS A 69 0.840 12.288 4.463 1.00 0.00 N ATOM 0 H LYS A 69 -6.205 11.362 5.649 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.637 10.088 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.435 12.696 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.691 12.771 6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.729 11.258 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.484 11.136 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.305 13.720 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.255 13.656 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.047 13.628 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.689 11.975 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.872 12.354 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.540 11.301 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.375 12.886 3.751 1.00 0.00 H new ATOM 507 N ALA A 70 -4.993 9.183 7.086 1.00 0.00 N ATOM 508 CA ALA A 70 -5.187 8.574 8.425 1.00 0.00 C ATOM 509 C ALA A 70 -5.946 7.257 8.315 1.00 0.00 C ATOM 510 O ALA A 70 -6.835 7.213 7.481 1.00 0.00 O ATOM 511 CB ALA A 70 -6.008 9.545 9.287 1.00 0.00 C ATOM 512 OXT ALA A 70 -5.596 6.366 9.071 1.00 0.00 O ATOM 0 H ALA A 70 -5.442 8.693 6.312 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.212 8.381 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.161 9.113 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.472 10.489 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.975 9.722 8.815 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.564 1.972 -4.124 1.00 0.00 ZN