USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 30 THR OG1 : rot 35:sc= 0.263 USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= -0.0421 (180deg=-0.695) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -2.76! C(o=-2.8!,f=-10!) USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.0276 (180deg=-0.584) USER MOD Single : A 49 GLN : amide:sc= -1.03 X(o=-1,f=-0.8) USER MOD Single : A 52 THR OG1 : rot 24:sc= 0.266 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -7.807 -9.753 7.785 1.00 50.00 N ATOM 34 CA THR A 30 -7.193 -10.601 6.722 1.00 50.00 C ATOM 35 C THR A 30 -7.238 -9.867 5.379 1.00 50.00 C ATOM 36 O THR A 30 -8.291 -9.668 4.805 1.00 50.00 O ATOM 37 CB THR A 30 -8.053 -11.865 6.673 1.00 0.00 C ATOM 38 OG1 THR A 30 -8.081 -12.470 7.959 1.00 0.00 O ATOM 39 CG2 THR A 30 -7.461 -12.845 5.659 1.00 0.00 C ATOM 0 HA THR A 30 -6.148 -10.832 6.927 1.00 50.00 H new ATOM 0 HB THR A 30 -9.068 -11.603 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.071 -11.774 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.073 -13.746 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.441 -12.381 4.673 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.446 -13.108 5.957 1.00 0.00 H new ATOM 47 N CYS A 31 -6.107 -9.460 4.874 1.00 50.00 N ATOM 48 CA CYS A 31 -6.093 -8.737 3.570 1.00 50.00 C ATOM 49 C CYS A 31 -6.212 -9.728 2.408 1.00 50.00 C ATOM 50 O CYS A 31 -6.284 -9.344 1.258 1.00 50.00 O ATOM 51 CB CYS A 31 -4.743 -8.020 3.526 1.00 0.00 C ATOM 52 SG CYS A 31 -4.796 -6.566 4.602 1.00 0.00 S ATOM 0 H CYS A 31 -5.193 -9.596 5.306 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.927 -8.042 3.479 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.950 -8.695 3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.511 -7.721 2.504 1.00 0.00 H new ATOM 57 N LEU A 32 -6.235 -11.000 2.697 1.00 50.00 N ATOM 58 CA LEU A 32 -6.351 -12.009 1.604 1.00 50.00 C ATOM 59 C LEU A 32 -7.610 -11.745 0.778 1.00 50.00 C ATOM 60 O LEU A 32 -7.601 -11.833 -0.434 1.00 50.00 O ATOM 61 CB LEU A 32 -6.455 -13.356 2.318 1.00 0.00 C ATOM 62 CG LEU A 32 -5.116 -13.692 2.977 1.00 0.00 C ATOM 63 CD1 LEU A 32 -5.231 -15.039 3.695 1.00 0.00 C ATOM 64 CD2 LEU A 32 -4.025 -13.773 1.908 1.00 0.00 C ATOM 0 H LEU A 32 -6.179 -11.385 3.640 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.505 -11.975 0.918 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.243 -13.320 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.728 -14.136 1.607 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.858 -12.915 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.279 -15.283 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.008 -14.980 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.488 -15.815 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.071 -14.012 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.279 -14.550 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.946 -12.814 1.395 1.00 0.00 H new ATOM 76 N LYS A 33 -8.691 -11.423 1.426 1.00 50.00 N ATOM 77 CA LYS A 33 -9.957 -11.153 0.686 1.00 50.00 C ATOM 78 C LYS A 33 -9.826 -9.875 -0.144 1.00 50.00 C ATOM 79 O LYS A 33 -10.319 -9.790 -1.251 1.00 50.00 O ATOM 80 CB LYS A 33 -11.019 -10.986 1.771 1.00 0.00 C ATOM 81 CG LYS A 33 -11.324 -12.349 2.397 1.00 0.00 C ATOM 82 CD LYS A 33 -12.136 -13.191 1.412 1.00 0.00 C ATOM 83 CE LYS A 33 -12.405 -14.569 2.020 1.00 0.00 C ATOM 84 NZ LYS A 33 -13.370 -14.317 3.128 1.00 0.00 N ATOM 0 H LYS A 33 -8.755 -11.334 2.440 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.208 -11.954 -0.010 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.668 -10.293 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.926 -10.558 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.396 -12.861 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.880 -12.219 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.078 -12.693 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.593 -13.296 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.822 -15.253 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.486 -15.023 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.999 -15.139 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.848 -14.163 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.937 -13.473 2.909 1.00 0.00 H new ATOM 98 N SER A 34 -9.167 -8.882 0.381 1.00 50.00 N ATOM 99 CA SER A 34 -9.007 -7.609 -0.380 1.00 50.00 C ATOM 100 C SER A 34 -8.097 -7.832 -1.590 1.00 50.00 C ATOM 101 O SER A 34 -8.259 -7.216 -2.625 1.00 50.00 O ATOM 102 CB SER A 34 -8.364 -6.632 0.604 1.00 0.00 C ATOM 103 OG SER A 34 -8.113 -5.397 -0.052 1.00 0.00 O ATOM 0 H SER A 34 -8.732 -8.895 1.303 1.00 50.00 H new ATOM 0 HA SER A 34 -9.957 -7.233 -0.760 1.00 50.00 H new ATOM 0 HB2 SER A 34 -9.021 -6.475 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.433 -7.047 0.990 1.00 0.00 H new ATOM 0 HG SER A 34 -7.702 -4.769 0.578 1.00 0.00 H new ATOM 109 N GLY A 35 -7.142 -8.712 -1.468 1.00 50.00 N ATOM 110 CA GLY A 35 -6.224 -8.982 -2.611 1.00 50.00 C ATOM 111 C GLY A 35 -4.899 -8.244 -2.395 1.00 50.00 C ATOM 112 O GLY A 35 -3.964 -8.398 -3.154 1.00 50.00 O ATOM 0 H GLY A 35 -6.957 -9.256 -0.626 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -6.044 -10.053 -2.700 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.684 -8.657 -3.544 1.00 50.00 H new ATOM 116 N ALA A 36 -4.812 -7.441 -1.370 1.00 50.00 N ATOM 117 CA ALA A 36 -3.544 -6.698 -1.114 1.00 50.00 C ATOM 118 C ALA A 36 -2.479 -7.646 -0.556 1.00 50.00 C ATOM 119 O ALA A 36 -2.721 -8.386 0.376 1.00 50.00 O ATOM 120 CB ALA A 36 -3.907 -5.632 -0.079 1.00 0.00 C ATOM 0 H ALA A 36 -5.561 -7.267 -0.700 1.00 50.00 H new ATOM 0 HA ALA A 36 -3.134 -6.258 -2.023 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -3.022 -5.042 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.679 -4.979 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.278 -6.114 0.825 1.00 0.00 H new ATOM 126 N ILE A 37 -1.301 -7.630 -1.119 1.00 50.00 N ATOM 127 CA ILE A 37 -0.225 -8.531 -0.618 1.00 50.00 C ATOM 128 C ILE A 37 0.307 -8.024 0.725 1.00 50.00 C ATOM 129 O ILE A 37 0.099 -6.885 1.097 1.00 50.00 O ATOM 130 CB ILE A 37 0.869 -8.478 -1.685 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.463 -7.069 -1.744 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.268 -8.836 -3.048 1.00 0.00 C ATOM 133 CD1 ILE A 37 2.920 -7.149 -2.206 1.00 0.00 C ATOM 0 H ILE A 37 -1.038 -7.033 -1.903 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.582 -9.548 -0.454 1.00 50.00 H new ATOM 0 HB ILE A 37 1.655 -9.190 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.886 -6.448 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.407 -6.598 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.046 -8.799 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.152 -9.841 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.518 -8.123 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.344 -6.146 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.492 -7.755 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.963 -7.603 -3.196 1.00 0.00 H new ATOM 145 N CYS A 38 0.990 -8.861 1.456 1.00 50.00 N ATOM 146 CA CYS A 38 1.534 -8.426 2.774 1.00 50.00 C ATOM 147 C CYS A 38 3.050 -8.231 2.679 1.00 50.00 C ATOM 148 O CYS A 38 3.716 -8.854 1.876 1.00 50.00 O ATOM 149 CB CYS A 38 1.188 -9.562 3.736 1.00 0.00 C ATOM 150 SG CYS A 38 -0.612 -9.718 3.848 1.00 0.00 S ATOM 0 H CYS A 38 1.195 -9.826 1.198 1.00 50.00 H new ATOM 0 HA CYS A 38 1.117 -7.475 3.106 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.625 -10.497 3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.610 -9.362 4.721 1.00 0.00 H new ATOM 155 N HIS A 39 3.598 -7.369 3.491 1.00 50.00 N ATOM 156 CA HIS A 39 5.070 -7.130 3.443 1.00 50.00 C ATOM 157 C HIS A 39 5.625 -7.018 4.862 1.00 50.00 C ATOM 158 O HIS A 39 4.969 -6.503 5.746 1.00 50.00 O ATOM 159 CB HIS A 39 5.230 -5.799 2.703 1.00 0.00 C ATOM 160 CG HIS A 39 6.654 -5.638 2.248 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.681 -5.332 3.127 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.237 -5.728 1.008 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.817 -5.249 2.411 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.603 -5.483 1.113 1.00 0.00 N ATOM 0 H HIS A 39 3.091 -6.820 4.185 1.00 50.00 H new ATOM 0 HA HIS A 39 5.607 -7.940 2.949 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.558 -5.766 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.952 -4.973 3.357 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.592 -5.195 4.134 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.715 -5.955 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.784 -5.021 2.834 1.00 0.00 H new ATOM 172 N PRO A 40 6.822 -7.500 5.033 1.00 50.00 N ATOM 173 CA PRO A 40 7.479 -7.449 6.360 1.00 50.00 C ATOM 174 C PRO A 40 7.794 -6.000 6.738 1.00 50.00 C ATOM 175 O PRO A 40 7.827 -5.125 5.896 1.00 50.00 O ATOM 176 CB PRO A 40 8.757 -8.260 6.158 1.00 0.00 C ATOM 177 CG PRO A 40 9.023 -8.186 4.690 1.00 0.00 C ATOM 178 CD PRO A 40 7.677 -8.129 4.018 1.00 0.00 C ATOM 0 HA PRO A 40 6.860 -7.843 7.166 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.585 -7.844 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.628 -9.291 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.617 -7.305 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.589 -9.055 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.710 -7.543 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.319 -9.123 3.749 1.00 0.00 H new ATOM 186 N VAL A 41 8.015 -5.741 7.996 1.00 50.00 N ATOM 187 CA VAL A 41 8.321 -4.349 8.431 1.00 50.00 C ATOM 188 C VAL A 41 7.129 -3.428 8.126 1.00 50.00 C ATOM 189 O VAL A 41 6.126 -3.462 8.811 1.00 50.00 O ATOM 190 CB VAL A 41 9.565 -3.951 7.630 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.113 -2.629 8.165 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.629 -5.040 7.778 1.00 0.00 C ATOM 0 H VAL A 41 7.997 -6.434 8.744 1.00 50.00 H new ATOM 0 HA VAL A 41 8.500 -4.269 9.503 1.00 50.00 H new ATOM 0 HB VAL A 41 9.302 -3.836 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.998 -2.345 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.353 -1.854 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.379 -2.744 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.516 -4.761 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.892 -5.151 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.238 -5.985 7.400 1.00 0.00 H new ATOM 202 N PHE A 42 7.215 -2.608 7.109 1.00 50.00 N ATOM 203 CA PHE A 42 6.072 -1.705 6.787 1.00 50.00 C ATOM 204 C PHE A 42 5.920 -1.568 5.269 1.00 50.00 C ATOM 205 O PHE A 42 6.859 -1.761 4.522 1.00 50.00 O ATOM 206 CB PHE A 42 6.436 -0.358 7.413 1.00 0.00 C ATOM 207 CG PHE A 42 7.553 0.279 6.620 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.254 1.082 5.515 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.885 0.063 6.990 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.288 1.671 4.778 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.920 0.650 6.252 1.00 0.00 C ATOM 212 CZ PHE A 42 9.621 1.454 5.145 1.00 0.00 C ATOM 0 H PHE A 42 8.023 -2.526 6.492 1.00 50.00 H new ATOM 0 HA PHE A 42 5.125 -2.087 7.170 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.565 0.297 7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.745 -0.498 8.449 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.225 1.248 5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.115 -0.556 7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.057 2.293 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.948 0.483 6.536 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.419 1.906 4.575 1.00 0.00 H new ATOM 222 N CYS A 43 4.743 -1.238 4.808 1.00 50.00 N ATOM 223 CA CYS A 43 4.530 -1.091 3.338 1.00 50.00 C ATOM 224 C CYS A 43 5.358 0.080 2.796 1.00 50.00 C ATOM 225 O CYS A 43 5.349 1.158 3.356 1.00 50.00 O ATOM 226 CB CYS A 43 3.035 -0.810 3.179 1.00 0.00 C ATOM 227 SG CYS A 43 2.077 -2.207 3.820 1.00 0.00 S ATOM 0 H CYS A 43 3.920 -1.064 5.385 1.00 50.00 H new ATOM 0 HA CYS A 43 4.838 -1.979 2.786 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.768 0.102 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.796 -0.645 2.128 1.00 0.00 H new ATOM 232 N PRO A 44 6.045 -0.174 1.717 1.00 50.00 N ATOM 233 CA PRO A 44 6.892 0.869 1.083 1.00 50.00 C ATOM 234 C PRO A 44 6.028 1.967 0.463 1.00 50.00 C ATOM 235 O PRO A 44 4.866 2.117 0.785 1.00 50.00 O ATOM 236 CB PRO A 44 7.659 0.102 0.008 1.00 0.00 C ATOM 237 CG PRO A 44 6.798 -1.080 -0.298 1.00 0.00 C ATOM 238 CD PRO A 44 6.098 -1.443 0.984 1.00 0.00 C ATOM 0 HA PRO A 44 7.549 1.373 1.792 1.00 50.00 H new ATOM 0 HB2 PRO A 44 7.820 0.716 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.642 -0.205 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.077 -0.842 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.399 -1.914 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.100 -1.841 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.646 -2.204 1.539 1.00 0.00 H new ATOM 246 N ARG A 45 6.592 2.735 -0.426 1.00 50.00 N ATOM 247 CA ARG A 45 5.811 3.831 -1.074 1.00 50.00 C ATOM 248 C ARG A 45 4.909 3.253 -2.164 1.00 50.00 C ATOM 249 O ARG A 45 3.781 3.668 -2.341 1.00 50.00 O ATOM 250 CB ARG A 45 6.850 4.772 -1.700 1.00 0.00 C ATOM 251 CG ARG A 45 8.060 4.924 -0.772 1.00 0.00 C ATOM 252 CD ARG A 45 8.893 6.133 -1.212 1.00 0.00 C ATOM 253 NE ARG A 45 9.867 6.347 -0.104 1.00 0.00 N ATOM 254 CZ ARG A 45 11.111 6.641 -0.373 1.00 0.00 C ATOM 255 NH1 ARG A 45 11.773 5.941 -1.253 1.00 0.00 N ATOM 256 NH2 ARG A 45 11.694 7.634 0.243 1.00 0.00 N ATOM 0 H ARG A 45 7.561 2.653 -0.734 1.00 50.00 H new ATOM 0 HA ARG A 45 5.175 4.351 -0.357 1.00 50.00 H new ATOM 0 HB2 ARG A 45 7.171 4.380 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.401 5.748 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.728 5.053 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.669 4.020 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.403 5.940 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.266 7.012 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 45 9.562 6.264 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.319 5.163 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.744 6.172 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.178 8.179 0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.665 7.864 0.034 1.00 0.00 H new ATOM 270 N ARG A 46 5.405 2.300 -2.899 1.00 50.00 N ATOM 271 CA ARG A 46 4.591 1.689 -3.986 1.00 50.00 C ATOM 272 C ARG A 46 3.321 1.063 -3.411 1.00 50.00 C ATOM 273 O ARG A 46 2.281 1.061 -4.037 1.00 50.00 O ATOM 274 CB ARG A 46 5.489 0.609 -4.592 1.00 0.00 C ATOM 275 CG ARG A 46 6.614 1.267 -5.393 1.00 0.00 C ATOM 276 CD ARG A 46 7.327 0.203 -6.231 1.00 0.00 C ATOM 277 NE ARG A 46 8.392 0.940 -6.967 1.00 0.00 N ATOM 278 CZ ARG A 46 9.251 0.282 -7.698 1.00 0.00 C ATOM 279 NH1 ARG A 46 10.517 0.290 -7.385 1.00 0.00 N ATOM 280 NH2 ARG A 46 8.842 -0.384 -8.743 1.00 0.00 N ATOM 0 H ARG A 46 6.344 1.915 -2.794 1.00 50.00 H new ATOM 0 HA ARG A 46 4.276 2.424 -4.726 1.00 50.00 H new ATOM 0 HB2 ARG A 46 5.908 -0.015 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.903 -0.045 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.208 2.045 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.322 1.750 -4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.752 -0.577 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.637 -0.285 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 46 8.450 1.956 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.837 0.811 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.187 -0.224 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.852 -0.390 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.512 -0.898 -9.315 1.00 0.00 H new ATOM 294 N TYR A 47 3.399 0.526 -2.227 1.00 50.00 N ATOM 295 CA TYR A 47 2.195 -0.109 -1.618 1.00 50.00 C ATOM 296 C TYR A 47 1.687 0.711 -0.432 1.00 50.00 C ATOM 297 O TYR A 47 2.455 1.267 0.328 1.00 50.00 O ATOM 298 CB TYR A 47 2.669 -1.479 -1.138 1.00 0.00 C ATOM 299 CG TYR A 47 3.097 -2.315 -2.319 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.256 -1.980 -3.030 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.339 -3.427 -2.698 1.00 0.00 C ATOM 302 CE1 TYR A 47 4.655 -2.760 -4.123 1.00 0.00 C ATOM 303 CE2 TYR A 47 2.737 -4.208 -3.787 1.00 0.00 C ATOM 304 CZ TYR A 47 3.896 -3.875 -4.500 1.00 0.00 C ATOM 305 OH TYR A 47 4.291 -4.646 -5.574 1.00 0.00 O ATOM 0 H TYR A 47 4.242 0.498 -1.654 1.00 50.00 H new ATOM 0 HA TYR A 47 1.373 -0.177 -2.331 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.500 -1.363 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.868 -1.982 -0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.841 -1.121 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.445 -3.683 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.547 -2.502 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.151 -5.067 -4.078 1.00 0.00 H new ATOM 0 HH TYR A 47 3.810 -5.500 -5.559 1.00 0.00 H new ATOM 315 N LYS A 48 0.396 0.769 -0.256 1.00 50.00 N ATOM 316 CA LYS A 48 -0.166 1.530 0.894 1.00 50.00 C ATOM 317 C LYS A 48 -0.486 0.558 2.032 1.00 50.00 C ATOM 318 O LYS A 48 -0.991 -0.524 1.810 1.00 50.00 O ATOM 319 CB LYS A 48 -1.445 2.175 0.362 1.00 0.00 C ATOM 320 CG LYS A 48 -1.088 3.237 -0.678 1.00 0.00 C ATOM 321 CD LYS A 48 -2.370 3.761 -1.328 1.00 0.00 C ATOM 322 CE LYS A 48 -2.021 4.871 -2.321 1.00 0.00 C ATOM 323 NZ LYS A 48 -1.655 6.043 -1.475 1.00 0.00 N ATOM 0 H LYS A 48 -0.294 0.322 -0.859 1.00 50.00 H new ATOM 0 HA LYS A 48 0.525 2.278 1.283 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -2.089 1.417 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.005 2.627 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.545 4.056 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.430 2.813 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.889 2.950 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.048 4.141 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.194 4.577 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.866 5.101 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.969 6.919 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.117 5.959 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.623 6.070 -1.347 1.00 0.00 H new ATOM 337 N GLN A 49 -0.187 0.924 3.247 1.00 50.00 N ATOM 338 CA GLN A 49 -0.468 0.004 4.388 1.00 50.00 C ATOM 339 C GLN A 49 -1.941 0.085 4.798 1.00 50.00 C ATOM 340 O GLN A 49 -2.356 1.003 5.477 1.00 50.00 O ATOM 341 CB GLN A 49 0.431 0.492 5.524 1.00 0.00 C ATOM 342 CG GLN A 49 0.375 -0.510 6.680 1.00 0.00 C ATOM 343 CD GLN A 49 1.235 -0.003 7.841 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.413 0.240 7.678 1.00 0.00 O ATOM 345 NE2 GLN A 49 0.690 0.165 9.015 1.00 0.00 N ATOM 0 H GLN A 49 0.238 1.816 3.500 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.273 -1.037 4.129 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.456 0.600 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.106 1.475 5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.656 -0.644 7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.733 -1.485 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.300 -0.039 9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.254 0.501 9.796 1.00 0.00 H new ATOM 354 N ILE A 50 -2.733 -0.875 4.400 1.00 50.00 N ATOM 355 CA ILE A 50 -4.175 -0.855 4.782 1.00 50.00 C ATOM 356 C ILE A 50 -4.307 -1.016 6.296 1.00 50.00 C ATOM 357 O ILE A 50 -5.221 -0.505 6.911 1.00 50.00 O ATOM 358 CB ILE A 50 -4.797 -2.057 4.067 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.760 -1.835 2.554 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.249 -2.224 4.522 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.319 -3.071 1.846 1.00 0.00 C ATOM 0 H ILE A 50 -2.445 -1.670 3.829 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.664 0.079 4.506 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.231 -2.955 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.346 -0.955 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.737 -1.647 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.693 -3.080 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.276 -2.388 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.813 -1.324 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.294 -2.915 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.714 -3.941 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.348 -3.238 2.164 1.00 0.00 H new ATOM 373 N GLY A 51 -3.395 -1.729 6.899 1.00 50.00 N ATOM 374 CA GLY A 51 -3.456 -1.933 8.373 1.00 50.00 C ATOM 375 C GLY A 51 -2.520 -3.079 8.764 1.00 50.00 C ATOM 376 O GLY A 51 -1.340 -2.883 8.977 1.00 50.00 O ATOM 0 H GLY A 51 -2.608 -2.180 6.432 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.166 -1.019 8.891 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.477 -2.162 8.678 1.00 50.00 H new ATOM 380 N THR A 52 -3.037 -4.274 8.858 1.00 50.00 N ATOM 381 CA THR A 52 -2.176 -5.431 9.235 1.00 50.00 C ATOM 382 C THR A 52 -2.606 -6.685 8.468 1.00 50.00 C ATOM 383 O THR A 52 -3.779 -6.977 8.345 1.00 50.00 O ATOM 384 CB THR A 52 -2.400 -5.622 10.736 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.784 -5.824 10.984 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.921 -4.380 11.489 1.00 0.00 C ATOM 0 H THR A 52 -4.018 -4.499 8.690 1.00 50.00 H new ATOM 0 HA THR A 52 -1.127 -5.256 8.997 1.00 50.00 H new ATOM 0 HB THR A 52 -1.838 -6.490 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.215 -6.166 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.082 -4.518 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.859 -4.226 11.298 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.481 -3.509 11.148 1.00 0.00 H new ATOM 394 N CYS A 53 -1.665 -7.431 7.956 1.00 50.00 N ATOM 395 CA CYS A 53 -2.018 -8.671 7.203 1.00 50.00 C ATOM 396 C CYS A 53 -2.825 -9.608 8.099 1.00 50.00 C ATOM 397 O CYS A 53 -3.867 -10.108 7.725 1.00 50.00 O ATOM 398 CB CYS A 53 -0.674 -9.308 6.847 1.00 0.00 C ATOM 399 SG CYS A 53 -0.929 -10.621 5.626 1.00 0.00 S ATOM 0 H CYS A 53 -0.666 -7.236 8.026 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.622 -8.466 6.319 1.00 50.00 H new ATOM 0 HB2 CYS A 53 0.003 -8.553 6.448 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.205 -9.716 7.742 1.00 0.00 H new ATOM 404 N GLY A 54 -2.340 -9.845 9.281 1.00 50.00 N ATOM 405 CA GLY A 54 -3.054 -10.749 10.226 1.00 50.00 C ATOM 406 C GLY A 54 -2.209 -10.906 11.491 1.00 50.00 C ATOM 407 O GLY A 54 -2.722 -11.061 12.581 1.00 50.00 O ATOM 0 H GLY A 54 -1.471 -9.449 9.639 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.033 -10.338 10.474 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.224 -11.721 9.763 1.00 50.00 H new ATOM 411 N LEU A 55 -0.914 -10.859 11.348 1.00 50.00 N ATOM 412 CA LEU A 55 -0.017 -10.995 12.529 1.00 50.00 C ATOM 413 C LEU A 55 0.972 -9.825 12.559 1.00 50.00 C ATOM 414 O LEU A 55 1.197 -9.179 11.555 1.00 50.00 O ATOM 415 CB LEU A 55 0.716 -12.320 12.315 1.00 0.00 C ATOM 416 CG LEU A 55 -0.300 -13.465 12.293 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.391 -14.755 11.843 1.00 0.00 C ATOM 418 CD2 LEU A 55 -0.880 -13.660 13.696 1.00 0.00 C ATOM 0 H LEU A 55 -0.435 -10.731 10.457 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.558 -10.983 13.475 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.271 -12.294 11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.443 -12.479 13.112 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.104 -13.223 11.598 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.333 -15.569 11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.803 -14.617 10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.196 -14.998 12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.603 -14.475 13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.076 -13.901 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.374 -12.743 14.016 1.00 0.00 H new ATOM 430 N PRO A 56 1.529 -9.590 13.715 1.00 50.00 N ATOM 431 CA PRO A 56 2.502 -8.481 13.876 1.00 50.00 C ATOM 432 C PRO A 56 3.826 -8.830 13.190 1.00 50.00 C ATOM 433 O PRO A 56 4.752 -8.042 13.167 1.00 50.00 O ATOM 434 CB PRO A 56 2.679 -8.378 15.387 1.00 0.00 C ATOM 435 CG PRO A 56 2.323 -9.733 15.913 1.00 0.00 C ATOM 436 CD PRO A 56 1.310 -10.322 14.965 1.00 0.00 C ATOM 0 HA PRO A 56 2.167 -7.545 13.428 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.703 -8.111 15.647 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.032 -7.609 15.808 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.207 -10.367 15.975 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.912 -9.660 16.920 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.462 -11.393 14.833 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.293 -10.188 15.333 1.00 0.00 H new ATOM 444 N GLY A 57 3.925 -10.005 12.630 1.00 50.00 N ATOM 445 CA GLY A 57 5.187 -10.404 11.947 1.00 50.00 C ATOM 446 C GLY A 57 5.295 -9.676 10.604 1.00 50.00 C ATOM 447 O GLY A 57 6.361 -9.251 10.202 1.00 50.00 O ATOM 0 H GLY A 57 3.185 -10.706 12.616 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.045 -10.161 12.574 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.202 -11.483 11.790 1.00 50.00 H new ATOM 451 N THR A 58 4.201 -9.528 9.906 1.00 50.00 N ATOM 452 CA THR A 58 4.242 -8.828 8.589 1.00 50.00 C ATOM 453 C THR A 58 3.212 -7.696 8.555 1.00 50.00 C ATOM 454 O THR A 58 2.360 -7.591 9.415 1.00 50.00 O ATOM 455 CB THR A 58 3.890 -9.900 7.557 1.00 0.00 C ATOM 456 OG1 THR A 58 4.696 -11.050 7.775 1.00 0.00 O ATOM 457 CG2 THR A 58 4.143 -9.357 6.152 1.00 0.00 C ATOM 0 H THR A 58 3.280 -9.862 10.191 1.00 50.00 H new ATOM 0 HA THR A 58 5.215 -8.377 8.395 1.00 50.00 H new ATOM 0 HB THR A 58 2.839 -10.170 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.470 -11.738 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.892 -10.121 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.524 -8.476 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.194 -9.086 6.050 1.00 0.00 H new ATOM 465 N LYS A 59 3.283 -6.850 7.563 1.00 50.00 N ATOM 466 CA LYS A 59 2.308 -5.726 7.467 1.00 50.00 C ATOM 467 C LYS A 59 1.509 -5.836 6.165 1.00 50.00 C ATOM 468 O LYS A 59 2.053 -6.110 5.114 1.00 50.00 O ATOM 469 CB LYS A 59 3.162 -4.458 7.468 1.00 0.00 C ATOM 470 CG LYS A 59 2.250 -3.232 7.534 1.00 0.00 C ATOM 471 CD LYS A 59 1.725 -3.067 8.961 1.00 0.00 C ATOM 472 CE LYS A 59 2.870 -2.631 9.879 1.00 0.00 C ATOM 473 NZ LYS A 59 2.261 -2.549 11.237 1.00 0.00 N ATOM 0 H LYS A 59 3.975 -6.889 6.814 1.00 50.00 H new ATOM 0 HA LYS A 59 1.588 -5.730 8.285 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.842 -4.465 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.777 -4.420 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.798 -2.340 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.418 -3.346 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.925 -2.326 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.299 -4.006 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.690 -3.349 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.280 -1.669 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.984 -2.255 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.488 -1.854 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.886 -3.481 11.506 1.00 0.00 H new ATOM 487 N CYS A 60 0.222 -5.631 6.228 1.00 50.00 N ATOM 488 CA CYS A 60 -0.609 -5.730 4.995 1.00 50.00 C ATOM 489 C CYS A 60 -0.292 -4.575 4.041 1.00 50.00 C ATOM 490 O CYS A 60 -0.308 -3.421 4.421 1.00 50.00 O ATOM 491 CB CYS A 60 -2.054 -5.640 5.486 1.00 0.00 C ATOM 492 SG CYS A 60 -3.169 -5.495 4.066 1.00 0.00 S ATOM 0 H CYS A 60 -0.290 -5.399 7.079 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.420 -6.652 4.444 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.306 -6.525 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.172 -4.779 6.144 1.00 0.00 H new ATOM 497 N CYS A 61 -0.012 -4.876 2.802 1.00 50.00 N ATOM 498 CA CYS A 61 0.299 -3.797 1.820 1.00 50.00 C ATOM 499 C CYS A 61 -0.626 -3.920 0.606 1.00 50.00 C ATOM 500 O CYS A 61 -1.108 -4.988 0.286 1.00 50.00 O ATOM 501 CB CYS A 61 1.756 -4.025 1.414 1.00 0.00 C ATOM 502 SG CYS A 61 2.828 -3.819 2.858 1.00 0.00 S ATOM 0 H CYS A 61 0.015 -5.824 2.426 1.00 50.00 H new ATOM 0 HA CYS A 61 0.153 -2.801 2.238 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.876 -5.026 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.041 -3.320 0.633 1.00 0.00 H new ATOM 507 N LYS A 62 -0.886 -2.833 -0.067 1.00 50.00 N ATOM 508 CA LYS A 62 -1.787 -2.891 -1.253 1.00 50.00 C ATOM 509 C LYS A 62 -1.138 -2.198 -2.453 1.00 50.00 C ATOM 510 O LYS A 62 -0.449 -1.208 -2.313 1.00 50.00 O ATOM 511 CB LYS A 62 -3.047 -2.139 -0.823 1.00 0.00 C ATOM 512 CG LYS A 62 -4.095 -2.221 -1.934 1.00 0.00 C ATOM 513 CD LYS A 62 -5.254 -1.275 -1.613 1.00 0.00 C ATOM 514 CE LYS A 62 -6.327 -1.397 -2.696 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.432 -0.507 -2.241 1.00 0.00 N ATOM 0 H LYS A 62 -0.514 -1.909 0.152 1.00 50.00 H new ATOM 0 HA LYS A 62 -2.000 -3.916 -1.558 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.443 -2.568 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.807 -1.097 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.647 -1.953 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.461 -3.243 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.677 -1.518 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.894 -0.248 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.944 -1.087 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.667 -2.427 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.208 -0.536 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.780 -0.831 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.080 0.468 -2.156 1.00 0.00 H new ATOM 529 N LYS A 63 -1.358 -2.710 -3.634 1.00 50.00 N ATOM 530 CA LYS A 63 -0.759 -2.077 -4.842 1.00 50.00 C ATOM 531 C LYS A 63 -1.585 -0.859 -5.260 1.00 50.00 C ATOM 532 O LYS A 63 -2.765 -0.783 -4.979 1.00 50.00 O ATOM 533 CB LYS A 63 -0.810 -3.156 -5.923 1.00 0.00 C ATOM 534 CG LYS A 63 0.124 -4.304 -5.537 1.00 0.00 C ATOM 535 CD LYS A 63 -0.021 -5.442 -6.549 1.00 0.00 C ATOM 536 CE LYS A 63 0.793 -6.649 -6.076 1.00 0.00 C ATOM 537 NZ LYS A 63 0.583 -7.686 -7.125 1.00 0.00 N ATOM 0 H LYS A 63 -1.926 -3.538 -3.813 1.00 50.00 H new ATOM 0 HA LYS A 63 0.258 -1.728 -4.665 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.829 -3.524 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.513 -2.738 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.156 -3.955 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.116 -4.661 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.070 -5.717 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.326 -5.117 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.849 -6.398 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.452 -6.998 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.110 -8.546 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.430 -7.909 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.923 -7.328 -8.040 1.00 0.00 H new