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 28:sc= 0.195 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -6.34! C(o=-6.3!,f=-8.8!) USER MOD Single : A 47 TYR OH : rot 130:sc= -0.027 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 52 THR OG1 : rot 27:sc= 0.102 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00705) USER MOD Single : A 62 LYS NZ :NH3+ -130:sc= -0.0646 (180deg=-0.825) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -8.466 -9.308 7.473 1.00 50.00 N ATOM 34 CA THR A 30 -8.020 -10.415 6.579 1.00 50.00 C ATOM 35 C THR A 30 -7.768 -9.882 5.165 1.00 50.00 C ATOM 36 O THR A 30 -8.687 -9.526 4.454 1.00 50.00 O ATOM 37 CB THR A 30 -9.180 -11.411 6.575 1.00 0.00 C ATOM 38 OG1 THR A 30 -9.429 -11.851 7.904 1.00 0.00 O ATOM 39 CG2 THR A 30 -8.826 -12.611 5.695 1.00 0.00 C ATOM 0 HA THR A 30 -7.090 -10.872 6.918 1.00 50.00 H new ATOM 0 HB THR A 30 -10.072 -10.926 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.160 -11.152 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.655 -13.319 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.637 -12.272 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.933 -13.098 6.086 1.00 0.00 H new ATOM 47 N CYS A 31 -6.532 -9.824 4.753 1.00 50.00 N ATOM 48 CA CYS A 31 -6.226 -9.314 3.384 1.00 50.00 C ATOM 49 C CYS A 31 -6.538 -10.388 2.337 1.00 50.00 C ATOM 50 O CYS A 31 -6.584 -10.119 1.152 1.00 50.00 O ATOM 51 CB CYS A 31 -4.728 -9.010 3.400 1.00 0.00 C ATOM 52 SG CYS A 31 -4.373 -7.760 4.652 1.00 0.00 S ATOM 0 H CYS A 31 -5.721 -10.107 5.303 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.820 -8.436 3.130 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.165 -9.919 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.408 -8.657 2.419 1.00 0.00 H new ATOM 57 N LEU A 32 -6.746 -11.603 2.764 1.00 50.00 N ATOM 58 CA LEU A 32 -7.048 -12.694 1.794 1.00 50.00 C ATOM 59 C LEU A 32 -8.283 -12.344 0.962 1.00 50.00 C ATOM 60 O LEU A 32 -8.330 -12.582 -0.229 1.00 50.00 O ATOM 61 CB LEU A 32 -7.316 -13.927 2.656 1.00 0.00 C ATOM 62 CG LEU A 32 -7.686 -15.105 1.754 1.00 0.00 C ATOM 63 CD1 LEU A 32 -6.454 -15.541 0.958 1.00 0.00 C ATOM 64 CD2 LEU A 32 -8.179 -16.271 2.613 1.00 0.00 C ATOM 0 H LEU A 32 -6.720 -11.888 3.743 1.00 50.00 H new ATOM 0 HA LEU A 32 -6.231 -12.855 1.091 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.433 -14.170 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.124 -13.725 3.359 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.476 -14.803 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.715 -16.381 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.103 -14.710 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.665 -15.843 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.443 -17.111 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.390 -16.575 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.056 -15.959 3.181 1.00 0.00 H new ATOM 76 N LYS A 33 -9.283 -11.783 1.579 1.00 50.00 N ATOM 77 CA LYS A 33 -10.518 -11.419 0.826 1.00 50.00 C ATOM 78 C LYS A 33 -10.228 -10.276 -0.148 1.00 50.00 C ATOM 79 O LYS A 33 -10.689 -10.271 -1.273 1.00 50.00 O ATOM 80 CB LYS A 33 -11.519 -10.975 1.894 1.00 0.00 C ATOM 81 CG LYS A 33 -11.992 -12.195 2.689 1.00 0.00 C ATOM 82 CD LYS A 33 -12.684 -13.182 1.748 1.00 0.00 C ATOM 83 CE LYS A 33 -13.518 -14.169 2.568 1.00 0.00 C ATOM 84 NZ LYS A 33 -14.380 -14.862 1.569 1.00 0.00 N ATOM 0 H LYS A 33 -9.301 -11.560 2.574 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.899 -12.250 0.233 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -11.056 -10.249 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.370 -10.480 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.144 -12.675 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.679 -11.885 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.322 -12.645 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.942 -13.719 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.883 -14.877 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.118 -13.653 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.983 -15.557 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.978 -14.164 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.781 -15.350 0.873 1.00 0.00 H new ATOM 98 N SER A 34 -9.466 -9.307 0.274 1.00 50.00 N ATOM 99 CA SER A 34 -9.146 -8.162 -0.627 1.00 50.00 C ATOM 100 C SER A 34 -8.198 -8.615 -1.741 1.00 50.00 C ATOM 101 O SER A 34 -8.209 -8.086 -2.834 1.00 50.00 O ATOM 102 CB SER A 34 -8.467 -7.126 0.269 1.00 0.00 C ATOM 103 OG SER A 34 -9.360 -6.732 1.300 1.00 0.00 O ATOM 0 H SER A 34 -9.050 -9.257 1.204 1.00 50.00 H new ATOM 0 HA SER A 34 -10.035 -7.758 -1.112 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.558 -7.544 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.170 -6.259 -0.321 1.00 0.00 H new ATOM 0 HG SER A 34 -8.924 -6.069 1.875 1.00 0.00 H new ATOM 109 N GLY A 35 -7.379 -9.593 -1.469 1.00 50.00 N ATOM 110 CA GLY A 35 -6.431 -10.081 -2.510 1.00 50.00 C ATOM 111 C GLY A 35 -5.147 -9.249 -2.464 1.00 50.00 C ATOM 112 O GLY A 35 -4.290 -9.368 -3.317 1.00 50.00 O ATOM 0 H GLY A 35 -7.325 -10.075 -0.572 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -6.201 -11.133 -2.343 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.889 -10.008 -3.496 1.00 50.00 H new ATOM 116 N ALA A 36 -5.007 -8.407 -1.477 1.00 50.00 N ATOM 117 CA ALA A 36 -3.777 -7.566 -1.379 1.00 50.00 C ATOM 118 C ALA A 36 -2.579 -8.424 -0.963 1.00 50.00 C ATOM 119 O ALA A 36 -2.707 -9.603 -0.700 1.00 50.00 O ATOM 120 CB ALA A 36 -4.086 -6.530 -0.297 1.00 0.00 C ATOM 0 H ALA A 36 -5.690 -8.264 -0.733 1.00 50.00 H new ATOM 0 HA ALA A 36 -3.523 -7.101 -2.331 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -3.226 -5.873 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.952 -5.940 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.300 -7.038 0.643 1.00 0.00 H new ATOM 126 N ILE A 37 -1.416 -7.837 -0.897 1.00 50.00 N ATOM 127 CA ILE A 37 -0.209 -8.613 -0.491 1.00 50.00 C ATOM 128 C ILE A 37 0.343 -8.069 0.827 1.00 50.00 C ATOM 129 O ILE A 37 0.162 -6.913 1.156 1.00 50.00 O ATOM 130 CB ILE A 37 0.800 -8.405 -1.620 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.189 -6.926 -1.694 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.174 -8.838 -2.948 1.00 0.00 C ATOM 133 CD1 ILE A 37 2.687 -6.805 -1.988 1.00 0.00 C ATOM 0 H ILE A 37 -1.249 -6.853 -1.107 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.430 -9.669 -0.336 1.00 50.00 H new ATOM 0 HB ILE A 37 1.691 -9.003 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.613 -6.426 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.951 -6.429 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.892 -8.690 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.100 -9.892 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.717 -8.241 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.964 -5.752 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.254 -7.290 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.911 -7.287 -2.940 1.00 0.00 H new ATOM 145 N CYS A 38 1.017 -8.888 1.584 1.00 50.00 N ATOM 146 CA CYS A 38 1.581 -8.410 2.878 1.00 50.00 C ATOM 147 C CYS A 38 3.110 -8.392 2.807 1.00 50.00 C ATOM 148 O CYS A 38 3.714 -9.137 2.059 1.00 50.00 O ATOM 149 CB CYS A 38 1.096 -9.419 3.920 1.00 0.00 C ATOM 150 SG CYS A 38 -0.715 -9.433 3.944 1.00 0.00 S ATOM 0 H CYS A 38 1.202 -9.867 1.364 1.00 50.00 H new ATOM 0 HA CYS A 38 1.264 -7.396 3.122 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.475 -10.413 3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.482 -9.156 4.905 1.00 0.00 H new ATOM 155 N HIS A 39 3.739 -7.548 3.576 1.00 50.00 N ATOM 156 CA HIS A 39 5.230 -7.486 3.547 1.00 50.00 C ATOM 157 C HIS A 39 5.781 -7.298 4.963 1.00 50.00 C ATOM 158 O HIS A 39 5.062 -6.915 5.865 1.00 50.00 O ATOM 159 CB HIS A 39 5.567 -6.278 2.671 1.00 0.00 C ATOM 160 CG HIS A 39 5.576 -6.696 1.227 1.00 0.00 C ATOM 161 ND1 HIS A 39 6.444 -7.661 0.742 1.00 0.00 N ATOM 162 CD2 HIS A 39 4.827 -6.291 0.150 1.00 0.00 C ATOM 163 CE1 HIS A 39 6.200 -7.802 -0.574 1.00 0.00 C ATOM 164 NE2 HIS A 39 5.223 -6.990 -0.986 1.00 0.00 N ATOM 0 H HIS A 39 3.289 -6.900 4.222 1.00 50.00 H new ATOM 0 HA HIS A 39 5.671 -8.403 3.156 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.835 -5.486 2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.540 -5.873 2.950 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.141 -8.172 1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.048 -5.543 0.180 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.730 -8.488 -1.218 1.00 0.00 H new ATOM 172 N PRO A 40 7.046 -7.582 5.108 1.00 50.00 N ATOM 173 CA PRO A 40 7.713 -7.453 6.429 1.00 50.00 C ATOM 174 C PRO A 40 7.873 -5.981 6.817 1.00 50.00 C ATOM 175 O PRO A 40 7.713 -5.091 6.005 1.00 50.00 O ATOM 176 CB PRO A 40 9.075 -8.105 6.206 1.00 0.00 C ATOM 177 CG PRO A 40 9.319 -7.995 4.735 1.00 0.00 C ATOM 178 CD PRO A 40 7.970 -8.045 4.065 1.00 0.00 C ATOM 0 HA PRO A 40 7.147 -7.916 7.237 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.854 -7.597 6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.072 -9.146 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.835 -7.065 4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.954 -8.809 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.936 -7.402 3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.725 -9.054 3.732 1.00 0.00 H new ATOM 186 N VAL A 41 8.191 -5.722 8.055 1.00 50.00 N ATOM 187 CA VAL A 41 8.368 -4.313 8.505 1.00 50.00 C ATOM 188 C VAL A 41 7.118 -3.487 8.164 1.00 50.00 C ATOM 189 O VAL A 41 6.080 -3.651 8.773 1.00 50.00 O ATOM 190 CB VAL A 41 9.600 -3.813 7.745 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.044 -2.466 8.319 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.735 -4.827 7.896 1.00 0.00 C ATOM 0 H VAL A 41 8.336 -6.428 8.777 1.00 50.00 H new ATOM 0 HA VAL A 41 8.503 -4.227 9.583 1.00 50.00 H new ATOM 0 HB VAL A 41 9.352 -3.694 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.921 -2.111 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.236 -1.742 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.292 -2.584 9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.613 -4.473 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.981 -4.943 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.421 -5.788 7.488 1.00 0.00 H new ATOM 202 N PHE A 42 7.199 -2.602 7.203 1.00 50.00 N ATOM 203 CA PHE A 42 6.004 -1.784 6.848 1.00 50.00 C ATOM 204 C PHE A 42 5.926 -1.596 5.330 1.00 50.00 C ATOM 205 O PHE A 42 6.929 -1.590 4.644 1.00 50.00 O ATOM 206 CB PHE A 42 6.224 -0.440 7.545 1.00 0.00 C ATOM 207 CG PHE A 42 7.281 0.349 6.805 1.00 0.00 C ATOM 208 CD1 PHE A 42 6.911 1.198 5.756 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.629 0.229 7.166 1.00 0.00 C ATOM 210 CE1 PHE A 42 7.886 1.927 5.067 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.606 0.958 6.476 1.00 0.00 C ATOM 212 CZ PHE A 42 9.233 1.808 5.426 1.00 0.00 C ATOM 0 H PHE A 42 8.037 -2.412 6.653 1.00 50.00 H new ATOM 0 HA PHE A 42 5.072 -2.256 7.158 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.291 0.122 7.575 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.533 -0.601 8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.871 1.291 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.915 -0.425 7.976 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.599 2.582 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.646 0.865 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.985 2.371 4.894 1.00 0.00 H new ATOM 222 N CYS A 43 4.745 -1.436 4.800 1.00 50.00 N ATOM 223 CA CYS A 43 4.613 -1.244 3.329 1.00 50.00 C ATOM 224 C CYS A 43 5.562 -0.137 2.863 1.00 50.00 C ATOM 225 O CYS A 43 5.586 0.938 3.428 1.00 50.00 O ATOM 226 CB CYS A 43 3.161 -0.824 3.106 1.00 0.00 C ATOM 227 SG CYS A 43 2.057 -2.147 3.652 1.00 0.00 S ATOM 0 H CYS A 43 3.868 -1.430 5.321 1.00 50.00 H new ATOM 0 HA CYS A 43 4.864 -2.146 2.771 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.948 0.092 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.992 -0.608 2.051 1.00 0.00 H new ATOM 232 N PRO A 44 6.310 -0.438 1.838 1.00 50.00 N ATOM 233 CA PRO A 44 7.270 0.546 1.283 1.00 50.00 C ATOM 234 C PRO A 44 6.522 1.683 0.589 1.00 50.00 C ATOM 235 O PRO A 44 5.342 1.886 0.796 1.00 50.00 O ATOM 236 CB PRO A 44 8.082 -0.269 0.281 1.00 0.00 C ATOM 237 CG PRO A 44 7.187 -1.403 -0.100 1.00 0.00 C ATOM 238 CD PRO A 44 6.334 -1.707 1.103 1.00 0.00 C ATOM 0 HA PRO A 44 7.895 1.014 2.044 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.354 0.330 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.011 -0.629 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.567 -1.136 -0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.771 -2.276 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.331 -2.022 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.760 -2.510 1.704 1.00 0.00 H new ATOM 246 N ARG A 45 7.204 2.427 -0.230 1.00 50.00 N ATOM 247 CA ARG A 45 6.541 3.560 -0.940 1.00 50.00 C ATOM 248 C ARG A 45 5.651 3.026 -2.062 1.00 50.00 C ATOM 249 O ARG A 45 4.542 3.480 -2.262 1.00 50.00 O ATOM 250 CB ARG A 45 7.682 4.401 -1.521 1.00 0.00 C ATOM 251 CG ARG A 45 8.816 4.514 -0.501 1.00 0.00 C ATOM 252 CD ARG A 45 9.700 5.714 -0.851 1.00 0.00 C ATOM 253 NE ARG A 45 8.793 6.895 -0.779 1.00 0.00 N ATOM 254 CZ ARG A 45 9.271 8.095 -0.968 1.00 0.00 C ATOM 255 NH1 ARG A 45 10.327 8.487 -0.310 1.00 0.00 N ATOM 256 NH2 ARG A 45 8.692 8.902 -1.814 1.00 0.00 N ATOM 0 H ARG A 45 8.194 2.303 -0.442 1.00 50.00 H new ATOM 0 HA ARG A 45 5.907 4.145 -0.274 1.00 50.00 H new ATOM 0 HB2 ARG A 45 8.051 3.944 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.317 5.394 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.407 4.631 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.410 3.600 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.530 5.810 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.133 5.609 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 45 7.801 6.766 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.779 7.856 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.701 9.425 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.866 8.595 -2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.065 9.840 -1.962 1.00 0.00 H new ATOM 270 N ARG A 46 6.134 2.065 -2.794 1.00 50.00 N ATOM 271 CA ARG A 46 5.326 1.494 -3.908 1.00 50.00 C ATOM 272 C ARG A 46 4.041 0.862 -3.365 1.00 50.00 C ATOM 273 O ARG A 46 3.121 0.573 -4.103 1.00 50.00 O ATOM 274 CB ARG A 46 6.220 0.425 -4.537 1.00 0.00 C ATOM 275 CG ARG A 46 7.468 1.083 -5.129 1.00 0.00 C ATOM 276 CD ARG A 46 8.350 0.011 -5.772 1.00 0.00 C ATOM 277 NE ARG A 46 7.570 -0.468 -6.949 1.00 0.00 N ATOM 278 CZ ARG A 46 8.074 -1.371 -7.743 1.00 0.00 C ATOM 279 NH1 ARG A 46 8.559 -1.022 -8.904 1.00 0.00 N ATOM 280 NH2 ARG A 46 8.093 -2.625 -7.379 1.00 0.00 N ATOM 0 H ARG A 46 7.056 1.648 -2.670 1.00 50.00 H new ATOM 0 HA ARG A 46 5.025 2.254 -4.629 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.506 -0.312 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.674 -0.108 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.182 1.828 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.022 1.606 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.313 0.421 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.555 -0.802 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 46 6.641 -0.089 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.544 -0.043 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.953 -1.728 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.713 -2.899 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.488 -3.331 -8.001 1.00 0.00 H new ATOM 294 N TYR A 47 3.974 0.639 -2.080 1.00 50.00 N ATOM 295 CA TYR A 47 2.749 0.019 -1.499 1.00 50.00 C ATOM 296 C TYR A 47 2.225 0.853 -0.325 1.00 50.00 C ATOM 297 O TYR A 47 2.919 1.694 0.215 1.00 50.00 O ATOM 298 CB TYR A 47 3.199 -1.358 -1.014 1.00 0.00 C ATOM 299 CG TYR A 47 3.537 -2.229 -2.201 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.778 -2.092 -2.837 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.613 -3.171 -2.667 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.093 -2.897 -3.937 1.00 0.00 C ATOM 303 CE2 TYR A 47 2.929 -3.977 -3.768 1.00 0.00 C ATOM 304 CZ TYR A 47 4.169 -3.839 -4.403 1.00 0.00 C ATOM 305 OH TYR A 47 4.480 -4.633 -5.489 1.00 0.00 O ATOM 0 H TYR A 47 4.711 0.858 -1.410 1.00 50.00 H new ATOM 0 HA TYR A 47 1.939 -0.042 -2.225 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.068 -1.259 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.410 -1.822 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.491 -1.365 -2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.656 -3.277 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.050 -2.791 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.216 -4.705 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 47 4.301 -5.571 -5.270 1.00 0.00 H new ATOM 315 N LYS A 48 1.004 0.620 0.076 1.00 50.00 N ATOM 316 CA LYS A 48 0.427 1.389 1.216 1.00 50.00 C ATOM 317 C LYS A 48 -0.143 0.425 2.262 1.00 50.00 C ATOM 318 O LYS A 48 -0.509 -0.691 1.953 1.00 50.00 O ATOM 319 CB LYS A 48 -0.697 2.228 0.602 1.00 0.00 C ATOM 320 CG LYS A 48 -0.102 3.253 -0.365 1.00 0.00 C ATOM 321 CD LYS A 48 -1.231 4.083 -0.979 1.00 0.00 C ATOM 322 CE LYS A 48 -0.664 4.985 -2.077 1.00 0.00 C ATOM 323 NZ LYS A 48 -1.842 5.734 -2.599 1.00 0.00 N ATOM 0 H LYS A 48 0.380 -0.072 -0.338 1.00 50.00 H new ATOM 0 HA LYS A 48 1.172 2.007 1.716 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.401 1.583 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.256 2.736 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.598 3.902 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.461 2.746 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.996 3.426 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.712 4.687 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.092 5.663 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.187 4.400 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.537 6.376 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.542 5.063 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.271 6.287 -1.829 1.00 0.00 H new ATOM 337 N GLN A 49 -0.222 0.845 3.496 1.00 50.00 N ATOM 338 CA GLN A 49 -0.772 -0.051 4.554 1.00 50.00 C ATOM 339 C GLN A 49 -2.293 0.103 4.634 1.00 50.00 C ATOM 340 O GLN A 49 -2.804 1.153 4.969 1.00 50.00 O ATOM 341 CB GLN A 49 -0.114 0.415 5.853 1.00 0.00 C ATOM 342 CG GLN A 49 -0.449 -0.570 6.976 1.00 0.00 C ATOM 343 CD GLN A 49 0.144 -0.069 8.294 1.00 0.00 C ATOM 344 OE1 GLN A 49 1.068 0.720 8.298 1.00 0.00 O ATOM 345 NE2 GLN A 49 -0.350 -0.498 9.424 1.00 0.00 N ATOM 0 H GLN A 49 0.070 1.768 3.817 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.569 -1.103 4.353 1.00 50.00 H new ATOM 0 HB2 GLN A 49 0.966 0.481 5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.465 1.413 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.530 -0.676 7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.051 -1.557 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.126 -1.160 9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.040 -0.171 10.308 1.00 0.00 H new ATOM 354 N ILE A 50 -3.020 -0.937 4.326 1.00 50.00 N ATOM 355 CA ILE A 50 -4.509 -0.848 4.381 1.00 50.00 C ATOM 356 C ILE A 50 -5.053 -1.690 5.538 1.00 50.00 C ATOM 357 O ILE A 50 -6.228 -1.993 5.595 1.00 50.00 O ATOM 358 CB ILE A 50 -4.989 -1.408 3.041 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.503 -2.850 2.886 1.00 0.00 C ATOM 360 CG2 ILE A 50 -4.430 -0.556 1.900 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.343 -3.560 1.822 1.00 0.00 C ATOM 0 H ILE A 50 -2.649 -1.843 4.039 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.853 0.173 4.545 1.00 50.00 H new ATOM 0 HB ILE A 50 -6.078 -1.386 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.451 -2.862 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.582 -3.376 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.773 -0.956 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.778 0.471 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.341 -0.575 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.997 -4.588 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.390 -3.560 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.241 -3.038 0.870 1.00 0.00 H new ATOM 373 N GLY A 51 -4.212 -2.073 6.460 1.00 50.00 N ATOM 374 CA GLY A 51 -4.694 -2.895 7.606 1.00 50.00 C ATOM 375 C GLY A 51 -3.744 -4.073 7.821 1.00 50.00 C ATOM 376 O GLY A 51 -3.621 -4.940 6.982 1.00 50.00 O ATOM 0 H GLY A 51 -3.216 -1.853 6.469 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -4.746 -2.286 8.508 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -5.703 -3.258 7.408 1.00 50.00 H new ATOM 380 N THR A 52 -3.072 -4.100 8.943 1.00 50.00 N ATOM 381 CA THR A 52 -2.116 -5.214 9.237 1.00 50.00 C ATOM 382 C THR A 52 -2.623 -6.540 8.656 1.00 50.00 C ATOM 383 O THR A 52 -3.777 -6.891 8.795 1.00 50.00 O ATOM 384 CB THR A 52 -2.056 -5.287 10.764 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.354 -5.560 11.274 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.558 -3.952 11.322 1.00 0.00 C ATOM 0 H THR A 52 -3.144 -3.393 9.675 1.00 50.00 H new ATOM 0 HA THR A 52 -1.137 -5.037 8.792 1.00 50.00 H new ATOM 0 HB THR A 52 -1.372 -6.081 11.063 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.876 -6.043 10.599 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.516 -4.005 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.563 -3.742 10.930 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.240 -3.156 11.024 1.00 0.00 H new ATOM 394 N CYS A 53 -1.762 -7.273 8.004 1.00 50.00 N ATOM 395 CA CYS A 53 -2.176 -8.576 7.406 1.00 50.00 C ATOM 396 C CYS A 53 -2.874 -9.444 8.454 1.00 50.00 C ATOM 397 O CYS A 53 -3.869 -10.087 8.185 1.00 50.00 O ATOM 398 CB CYS A 53 -0.867 -9.228 6.962 1.00 0.00 C ATOM 399 SG CYS A 53 -1.194 -10.421 5.641 1.00 0.00 S ATOM 0 H CYS A 53 -0.784 -7.024 7.859 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.878 -8.451 6.582 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.171 -8.466 6.612 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.394 -9.728 7.807 1.00 0.00 H new ATOM 404 N GLY A 54 -2.350 -9.466 9.643 1.00 50.00 N ATOM 405 CA GLY A 54 -2.965 -10.290 10.722 1.00 50.00 C ATOM 406 C GLY A 54 -1.953 -10.466 11.854 1.00 50.00 C ATOM 407 O GLY A 54 -2.311 -10.637 13.002 1.00 50.00 O ATOM 0 H GLY A 54 -1.517 -8.946 9.919 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -3.868 -9.807 11.096 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.263 -11.262 10.329 1.00 50.00 H new ATOM 411 N LEU A 55 -0.688 -10.419 11.537 1.00 50.00 N ATOM 412 CA LEU A 55 0.354 -10.577 12.590 1.00 50.00 C ATOM 413 C LEU A 55 1.270 -9.351 12.603 1.00 50.00 C ATOM 414 O LEU A 55 1.436 -8.691 11.595 1.00 50.00 O ATOM 415 CB LEU A 55 1.138 -11.829 12.192 1.00 0.00 C ATOM 416 CG LEU A 55 0.210 -13.045 12.222 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.967 -14.276 11.716 1.00 0.00 C ATOM 418 CD2 LEU A 55 -0.262 -13.294 13.655 1.00 0.00 C ATOM 0 H LEU A 55 -0.331 -10.278 10.592 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.075 -10.669 13.588 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.560 -11.705 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.974 -11.980 12.875 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.653 -12.858 11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.307 -15.143 11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.304 -14.101 10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.830 -14.461 12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.923 -14.160 13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.600 -13.481 14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.800 -12.419 14.018 1.00 0.00 H new ATOM 430 N PRO A 56 1.835 -9.085 13.747 1.00 50.00 N ATOM 431 CA PRO A 56 2.744 -7.923 13.894 1.00 50.00 C ATOM 432 C PRO A 56 4.077 -8.194 13.187 1.00 50.00 C ATOM 433 O PRO A 56 4.846 -7.291 12.925 1.00 50.00 O ATOM 434 CB PRO A 56 2.937 -7.806 15.403 1.00 0.00 C ATOM 435 CG PRO A 56 2.673 -9.180 15.934 1.00 0.00 C ATOM 436 CD PRO A 56 1.683 -9.833 15.001 1.00 0.00 C ATOM 0 HA PRO A 56 2.348 -7.009 13.451 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.946 -7.475 15.647 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.250 -7.078 15.834 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.596 -9.758 15.983 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.274 -9.131 16.947 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.902 -10.892 14.864 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.666 -9.765 15.386 1.00 0.00 H new ATOM 444 N GLY A 57 4.354 -9.431 12.873 1.00 50.00 N ATOM 445 CA GLY A 57 5.633 -9.757 12.181 1.00 50.00 C ATOM 446 C GLY A 57 5.596 -9.200 10.756 1.00 50.00 C ATOM 447 O GLY A 57 6.604 -8.800 10.209 1.00 50.00 O ATOM 0 H GLY A 57 3.749 -10.230 13.066 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.474 -9.331 12.728 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.782 -10.837 12.158 1.00 50.00 H new ATOM 451 N THR A 58 4.438 -9.168 10.152 1.00 50.00 N ATOM 452 CA THR A 58 4.334 -8.633 8.765 1.00 50.00 C ATOM 453 C THR A 58 3.228 -7.579 8.687 1.00 50.00 C ATOM 454 O THR A 58 2.431 -7.431 9.593 1.00 50.00 O ATOM 455 CB THR A 58 3.980 -9.842 7.897 1.00 0.00 C ATOM 456 OG1 THR A 58 4.819 -10.934 8.245 1.00 0.00 O ATOM 457 CG2 THR A 58 4.178 -9.491 6.422 1.00 0.00 C ATOM 0 H THR A 58 3.560 -9.489 10.560 1.00 50.00 H new ATOM 0 HA THR A 58 5.257 -8.153 8.439 1.00 50.00 H new ATOM 0 HB THR A 58 2.938 -10.117 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.592 -11.710 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.925 -10.354 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.532 -8.654 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.218 -9.215 6.250 1.00 0.00 H new ATOM 465 N LYS A 59 3.171 -6.851 7.608 1.00 50.00 N ATOM 466 CA LYS A 59 2.114 -5.810 7.463 1.00 50.00 C ATOM 467 C LYS A 59 1.428 -5.955 6.103 1.00 50.00 C ATOM 468 O LYS A 59 2.058 -6.251 5.108 1.00 50.00 O ATOM 469 CB LYS A 59 2.854 -4.475 7.554 1.00 0.00 C ATOM 470 CG LYS A 59 3.494 -4.338 8.936 1.00 0.00 C ATOM 471 CD LYS A 59 2.406 -4.402 10.009 1.00 0.00 C ATOM 472 CE LYS A 59 3.036 -4.195 11.387 1.00 0.00 C ATOM 473 NZ LYS A 59 1.896 -4.269 12.345 1.00 0.00 N ATOM 0 H LYS A 59 3.811 -6.931 6.818 1.00 50.00 H new ATOM 0 HA LYS A 59 1.339 -5.893 8.225 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.619 -4.418 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.162 -3.651 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.222 -5.134 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.035 -3.394 9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.652 -3.637 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.899 -5.366 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.781 -4.961 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.542 -3.232 11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.252 -4.170 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.223 -3.503 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.417 -5.186 12.244 1.00 0.00 H new ATOM 487 N CYS A 60 0.142 -5.750 6.050 1.00 50.00 N ATOM 488 CA CYS A 60 -0.576 -5.881 4.750 1.00 50.00 C ATOM 489 C CYS A 60 -0.250 -4.689 3.851 1.00 50.00 C ATOM 490 O CYS A 60 -0.178 -3.564 4.300 1.00 50.00 O ATOM 491 CB CYS A 60 -2.060 -5.890 5.112 1.00 0.00 C ATOM 492 SG CYS A 60 -3.010 -6.586 3.745 1.00 0.00 S ATOM 0 H CYS A 60 -0.442 -5.498 6.847 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.287 -6.781 4.207 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.221 -6.477 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.399 -4.876 5.325 1.00 0.00 H new ATOM 497 N CYS A 61 -0.056 -4.928 2.584 1.00 50.00 N ATOM 498 CA CYS A 61 0.267 -3.808 1.657 1.00 50.00 C ATOM 499 C CYS A 61 -0.619 -3.889 0.412 1.00 50.00 C ATOM 500 O CYS A 61 -0.944 -4.959 -0.063 1.00 50.00 O ATOM 501 CB CYS A 61 1.736 -4.018 1.285 1.00 0.00 C ATOM 502 SG CYS A 61 2.777 -3.808 2.752 1.00 0.00 S ATOM 0 H CYS A 61 -0.107 -5.850 2.151 1.00 50.00 H new ATOM 0 HA CYS A 61 0.096 -2.830 2.108 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.876 -5.015 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.031 -3.306 0.514 1.00 0.00 H new ATOM 507 N LYS A 62 -1.015 -2.767 -0.122 1.00 50.00 N ATOM 508 CA LYS A 62 -1.882 -2.785 -1.335 1.00 50.00 C ATOM 509 C LYS A 62 -1.282 -1.900 -2.430 1.00 50.00 C ATOM 510 O LYS A 62 -0.760 -0.834 -2.166 1.00 50.00 O ATOM 511 CB LYS A 62 -3.225 -2.226 -0.868 1.00 0.00 C ATOM 512 CG LYS A 62 -4.227 -2.271 -2.024 1.00 0.00 C ATOM 513 CD LYS A 62 -5.485 -1.488 -1.639 1.00 0.00 C ATOM 514 CE LYS A 62 -6.487 -1.530 -2.795 1.00 0.00 C ATOM 515 NZ LYS A 62 -5.868 -0.702 -3.868 1.00 0.00 N ATOM 0 H LYS A 62 -0.776 -1.839 0.228 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.981 -3.785 -1.757 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.600 -2.807 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.102 -1.201 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.781 -1.845 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.485 -3.304 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.932 -1.915 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.226 -0.455 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.658 -2.552 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.455 -1.128 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.562 -0.010 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.041 -0.201 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.569 -1.317 -4.652 1.00 0.00 H new ATOM 529 N LYS A 63 -1.351 -2.333 -3.658 1.00 50.00 N ATOM 530 CA LYS A 63 -0.786 -1.517 -4.769 1.00 50.00 C ATOM 531 C LYS A 63 -1.681 -0.305 -5.039 1.00 50.00 C ATOM 532 O LYS A 63 -2.879 -0.362 -4.850 1.00 50.00 O ATOM 533 CB LYS A 63 -0.765 -2.453 -5.978 1.00 0.00 C ATOM 534 CG LYS A 63 0.153 -3.643 -5.686 1.00 0.00 C ATOM 535 CD LYS A 63 0.375 -4.442 -6.972 1.00 0.00 C ATOM 536 CE LYS A 63 1.233 -5.672 -6.667 1.00 0.00 C ATOM 537 NZ LYS A 63 1.301 -6.421 -7.953 1.00 0.00 N ATOM 0 H LYS A 63 -1.774 -3.217 -3.940 1.00 50.00 H new ATOM 0 HA LYS A 63 0.207 -1.132 -4.538 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.774 -2.803 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.414 -1.917 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.107 -3.292 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.291 -4.280 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.583 -4.749 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.866 -3.819 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.227 -5.385 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.787 -6.279 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.874 -7.280 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.341 -6.687 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.736 -5.820 -8.682 1.00 0.00 H new