USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 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 44:sc= 0.211 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= -3.3! C(o=-3.3!,f=-11!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.0465 (180deg=-0.73) USER MOD Single : A 49 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.9!) USER MOD Single : A 52 THR OG1 : rot 37:sc= 0.403 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= -0.489 (180deg=-2.23!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.0613 (180deg=-0.605) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -7.269 -9.744 6.347 1.00 50.00 N ATOM 34 CA THR A 30 -6.465 -10.683 5.511 1.00 50.00 C ATOM 35 C THR A 30 -6.057 -10.016 4.196 1.00 50.00 C ATOM 36 O THR A 30 -5.179 -10.485 3.501 1.00 50.00 O ATOM 37 CB THR A 30 -7.389 -11.872 5.247 1.00 0.00 C ATOM 38 OG1 THR A 30 -7.788 -12.441 6.485 1.00 0.00 O ATOM 39 CG2 THR A 30 -6.648 -12.920 4.415 1.00 0.00 C ATOM 0 HA THR A 30 -5.543 -10.985 6.008 1.00 50.00 H new ATOM 0 HB THR A 30 -8.270 -11.536 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.025 -11.726 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.307 -13.768 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.342 -12.481 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.766 -13.259 4.959 1.00 0.00 H new ATOM 47 N CYS A 31 -6.685 -8.926 3.849 1.00 50.00 N ATOM 48 CA CYS A 31 -6.324 -8.234 2.579 1.00 50.00 C ATOM 49 C CYS A 31 -6.461 -9.197 1.393 1.00 50.00 C ATOM 50 O CYS A 31 -5.918 -8.969 0.330 1.00 50.00 O ATOM 51 CB CYS A 31 -4.866 -7.811 2.767 1.00 0.00 C ATOM 52 SG CYS A 31 -4.757 -6.580 4.079 1.00 0.00 S ATOM 0 H CYS A 31 -7.430 -8.486 4.388 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.972 -7.383 2.369 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.255 -8.678 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.473 -7.401 1.837 1.00 0.00 H new ATOM 57 N LEU A 32 -7.183 -10.272 1.568 1.00 50.00 N ATOM 58 CA LEU A 32 -7.352 -11.249 0.452 1.00 50.00 C ATOM 59 C LEU A 32 -8.354 -10.720 -0.575 1.00 50.00 C ATOM 60 O LEU A 32 -8.176 -10.873 -1.767 1.00 50.00 O ATOM 61 CB LEU A 32 -7.884 -12.519 1.117 1.00 0.00 C ATOM 62 CG LEU A 32 -8.003 -13.640 0.076 1.00 0.00 C ATOM 63 CD1 LEU A 32 -9.228 -13.391 -0.807 1.00 0.00 C ATOM 64 CD2 LEU A 32 -6.746 -13.673 -0.796 1.00 0.00 C ATOM 0 H LEU A 32 -7.663 -10.516 2.434 1.00 50.00 H new ATOM 0 HA LEU A 32 -6.419 -11.427 -0.083 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.216 -12.827 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.857 -12.324 1.568 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.111 -14.595 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.312 -14.188 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.125 -13.374 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.121 -12.433 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.836 -14.471 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.633 -12.717 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.873 -13.855 -0.169 1.00 0.00 H new ATOM 76 N LYS A 33 -9.404 -10.099 -0.122 1.00 50.00 N ATOM 77 CA LYS A 33 -10.418 -9.558 -1.073 1.00 50.00 C ATOM 78 C LYS A 33 -9.884 -8.290 -1.741 1.00 50.00 C ATOM 79 O LYS A 33 -10.145 -8.027 -2.899 1.00 50.00 O ATOM 80 CB LYS A 33 -11.639 -9.234 -0.212 1.00 0.00 C ATOM 81 CG LYS A 33 -12.253 -10.532 0.315 1.00 0.00 C ATOM 82 CD LYS A 33 -12.775 -11.364 -0.858 1.00 0.00 C ATOM 83 CE LYS A 33 -13.511 -12.594 -0.322 1.00 0.00 C ATOM 84 NZ LYS A 33 -14.043 -13.279 -1.534 1.00 0.00 N ATOM 0 H LYS A 33 -9.606 -9.941 0.865 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.658 -10.264 -1.868 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -11.350 -8.592 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.375 -8.684 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.508 -11.099 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.066 -10.308 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.446 -10.764 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.947 -11.672 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.838 -13.245 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.315 -12.309 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.562 -14.134 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.685 -12.637 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.254 -13.544 -2.157 1.00 0.00 H new ATOM 98 N SER A 34 -9.135 -7.506 -1.020 1.00 50.00 N ATOM 99 CA SER A 34 -8.579 -6.254 -1.607 1.00 50.00 C ATOM 100 C SER A 34 -7.485 -6.588 -2.625 1.00 50.00 C ATOM 101 O SER A 34 -7.228 -5.838 -3.547 1.00 50.00 O ATOM 102 CB SER A 34 -7.992 -5.489 -0.420 1.00 0.00 C ATOM 103 OG SER A 34 -9.041 -5.096 0.453 1.00 0.00 O ATOM 0 H SER A 34 -8.882 -7.677 -0.047 1.00 50.00 H new ATOM 0 HA SER A 34 -9.335 -5.672 -2.134 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.276 -6.115 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.448 -4.612 -0.771 1.00 0.00 H new ATOM 0 HG SER A 34 -8.666 -4.607 1.215 1.00 0.00 H new ATOM 109 N GLY A 35 -6.838 -7.709 -2.465 1.00 50.00 N ATOM 110 CA GLY A 35 -5.761 -8.093 -3.421 1.00 50.00 C ATOM 111 C GLY A 35 -4.443 -7.442 -2.994 1.00 50.00 C ATOM 112 O GLY A 35 -3.463 -7.478 -3.711 1.00 50.00 O ATOM 0 H GLY A 35 -7.008 -8.377 -1.713 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.652 -9.177 -3.446 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.025 -7.776 -4.430 1.00 50.00 H new ATOM 116 N ALA A 36 -4.411 -6.845 -1.833 1.00 50.00 N ATOM 117 CA ALA A 36 -3.155 -6.191 -1.364 1.00 50.00 C ATOM 118 C ALA A 36 -2.159 -7.246 -0.873 1.00 50.00 C ATOM 119 O ALA A 36 -2.509 -8.151 -0.142 1.00 50.00 O ATOM 120 CB ALA A 36 -3.588 -5.285 -0.210 1.00 0.00 C ATOM 0 H ALA A 36 -5.200 -6.782 -1.189 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.659 -5.633 -2.158 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.718 -4.766 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.311 -4.554 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.045 -5.888 0.575 1.00 0.00 H new ATOM 126 N ILE A 37 -0.920 -7.135 -1.267 1.00 50.00 N ATOM 127 CA ILE A 37 0.096 -8.129 -0.820 1.00 50.00 C ATOM 128 C ILE A 37 0.621 -7.754 0.569 1.00 50.00 C ATOM 129 O ILE A 37 0.706 -6.593 0.918 1.00 50.00 O ATOM 130 CB ILE A 37 1.215 -8.053 -1.862 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.876 -6.674 -1.808 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.629 -8.281 -3.256 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.319 -6.779 -2.304 1.00 0.00 C ATOM 0 H ILE A 37 -0.568 -6.399 -1.879 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.314 -9.136 -0.743 1.00 50.00 H new ATOM 0 HB ILE A 37 1.960 -8.820 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.319 -5.968 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.858 -6.290 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.425 -8.227 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.160 -9.264 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.117 -7.514 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.789 -5.796 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.872 -7.471 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.325 -7.144 -3.331 1.00 0.00 H new ATOM 145 N CYS A 38 0.977 -8.722 1.363 1.00 50.00 N ATOM 146 CA CYS A 38 1.497 -8.410 2.723 1.00 50.00 C ATOM 147 C CYS A 38 3.022 -8.284 2.681 1.00 50.00 C ATOM 148 O CYS A 38 3.687 -8.928 1.894 1.00 50.00 O ATOM 149 CB CYS A 38 1.078 -9.594 3.595 1.00 0.00 C ATOM 150 SG CYS A 38 -0.720 -9.578 3.807 1.00 0.00 S ATOM 0 H CYS A 38 0.931 -9.714 1.131 1.00 50.00 H new ATOM 0 HA CYS A 38 1.107 -7.468 3.110 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.392 -10.530 3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.570 -9.537 4.566 1.00 0.00 H new ATOM 155 N HIS A 39 3.579 -7.457 3.521 1.00 50.00 N ATOM 156 CA HIS A 39 5.061 -7.286 3.530 1.00 50.00 C ATOM 157 C HIS A 39 5.564 -7.180 4.971 1.00 50.00 C ATOM 158 O HIS A 39 4.891 -6.632 5.821 1.00 50.00 O ATOM 159 CB HIS A 39 5.312 -5.977 2.775 1.00 0.00 C ATOM 160 CG HIS A 39 6.767 -5.875 2.407 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.749 -5.598 3.346 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.422 -6.009 1.207 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.930 -5.573 2.700 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.787 -5.818 1.396 1.00 0.00 N ATOM 0 H HIS A 39 3.073 -6.891 4.202 1.00 50.00 H new ATOM 0 HA HIS A 39 5.581 -8.126 3.070 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.696 -5.940 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.023 -5.128 3.394 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.603 -5.442 4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.949 -6.229 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.878 -5.378 3.179 1.00 0.00 H new ATOM 172 N PRO A 40 6.739 -7.702 5.198 1.00 50.00 N ATOM 173 CA PRO A 40 7.338 -7.657 6.554 1.00 50.00 C ATOM 174 C PRO A 40 7.665 -6.212 6.936 1.00 50.00 C ATOM 175 O PRO A 40 7.778 -5.348 6.089 1.00 50.00 O ATOM 176 CB PRO A 40 8.608 -8.495 6.412 1.00 0.00 C ATOM 177 CG PRO A 40 8.937 -8.433 4.957 1.00 0.00 C ATOM 178 CD PRO A 40 7.618 -8.374 4.232 1.00 0.00 C ATOM 0 HA PRO A 40 6.677 -8.034 7.335 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.419 -8.093 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.444 -9.522 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.545 -7.557 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.512 -9.307 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.695 -7.815 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.252 -9.369 3.978 1.00 0.00 H new ATOM 186 N VAL A 41 7.809 -5.939 8.205 1.00 50.00 N ATOM 187 CA VAL A 41 8.121 -4.547 8.639 1.00 50.00 C ATOM 188 C VAL A 41 6.967 -3.607 8.253 1.00 50.00 C ATOM 189 O VAL A 41 5.917 -3.628 8.865 1.00 50.00 O ATOM 190 CB VAL A 41 9.418 -4.190 7.906 1.00 0.00 C ATOM 191 CG1 VAL A 41 9.990 -2.892 8.476 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.432 -5.318 8.099 1.00 0.00 C ATOM 0 H VAL A 41 7.724 -6.620 8.960 1.00 50.00 H new ATOM 0 HA VAL A 41 8.241 -4.453 9.718 1.00 50.00 H new ATOM 0 HB VAL A 41 9.211 -4.058 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.913 -2.640 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.267 -2.087 8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.199 -3.022 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.357 -5.069 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.636 -5.446 9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.027 -6.245 7.694 1.00 0.00 H new ATOM 202 N PHE A 42 7.137 -2.785 7.248 1.00 50.00 N ATOM 203 CA PHE A 42 6.033 -1.864 6.848 1.00 50.00 C ATOM 204 C PHE A 42 5.985 -1.729 5.323 1.00 50.00 C ATOM 205 O PHE A 42 6.958 -1.976 4.639 1.00 50.00 O ATOM 206 CB PHE A 42 6.380 -0.524 7.499 1.00 0.00 C ATOM 207 CG PHE A 42 7.591 0.064 6.818 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.433 0.862 5.681 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.872 -0.192 7.322 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.554 1.406 5.045 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.994 0.352 6.686 1.00 0.00 C ATOM 212 CZ PHE A 42 9.836 1.150 5.547 1.00 0.00 C ATOM 0 H PHE A 42 7.988 -2.713 6.691 1.00 50.00 H new ATOM 0 HA PHE A 42 5.055 -2.227 7.164 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.536 0.161 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.578 -0.664 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.444 1.059 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.994 -0.808 8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.431 2.023 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.982 0.156 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.702 1.568 5.056 1.00 0.00 H new ATOM 222 N CYS A 43 4.859 -1.343 4.785 1.00 50.00 N ATOM 223 CA CYS A 43 4.751 -1.198 3.303 1.00 50.00 C ATOM 224 C CYS A 43 5.672 -0.077 2.808 1.00 50.00 C ATOM 225 O CYS A 43 5.684 1.005 3.358 1.00 50.00 O ATOM 226 CB CYS A 43 3.289 -0.839 3.044 1.00 0.00 C ATOM 227 SG CYS A 43 2.218 -2.154 3.679 1.00 0.00 S ATOM 0 H CYS A 43 4.010 -1.122 5.306 1.00 50.00 H new ATOM 0 HA CYS A 43 5.048 -2.107 2.780 1.00 50.00 H new ATOM 0 HB2 CYS A 43 3.045 0.107 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.121 -0.704 1.976 1.00 0.00 H new ATOM 232 N PRO A 44 6.411 -0.379 1.776 1.00 50.00 N ATOM 233 CA PRO A 44 7.349 0.612 1.190 1.00 50.00 C ATOM 234 C PRO A 44 6.585 1.752 0.517 1.00 50.00 C ATOM 235 O PRO A 44 5.415 1.966 0.764 1.00 50.00 O ATOM 236 CB PRO A 44 8.132 -0.201 0.162 1.00 0.00 C ATOM 237 CG PRO A 44 7.228 -1.337 -0.186 1.00 0.00 C ATOM 238 CD PRO A 44 6.447 -1.658 1.059 1.00 0.00 C ATOM 0 HA PRO A 44 7.990 1.083 1.935 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.373 0.397 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.076 -0.557 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.560 -1.065 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.802 -2.202 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.444 -2.015 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.932 -2.436 1.649 1.00 0.00 H new ATOM 246 N ARG A 45 7.247 2.486 -0.330 1.00 50.00 N ATOM 247 CA ARG A 45 6.576 3.624 -1.025 1.00 50.00 C ATOM 248 C ARG A 45 5.657 3.109 -2.133 1.00 50.00 C ATOM 249 O ARG A 45 4.548 3.575 -2.302 1.00 50.00 O ATOM 250 CB ARG A 45 7.716 4.453 -1.620 1.00 0.00 C ATOM 251 CG ARG A 45 7.142 5.684 -2.327 1.00 0.00 C ATOM 252 CD ARG A 45 6.664 6.697 -1.283 1.00 0.00 C ATOM 253 NE ARG A 45 6.069 7.811 -2.075 1.00 0.00 N ATOM 254 CZ ARG A 45 5.522 8.827 -1.465 1.00 0.00 C ATOM 255 NH1 ARG A 45 6.238 9.881 -1.182 1.00 0.00 N ATOM 256 NH2 ARG A 45 4.260 8.789 -1.137 1.00 0.00 N ATOM 0 H ARG A 45 8.228 2.349 -0.574 1.00 50.00 H new ATOM 0 HA ARG A 45 5.954 4.208 -0.346 1.00 50.00 H new ATOM 0 HB2 ARG A 45 8.404 4.761 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.288 3.850 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.900 6.136 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.313 5.392 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.930 6.254 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.491 7.048 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 45 6.089 7.779 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.225 9.911 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.810 10.675 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.700 7.965 -1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.833 9.583 -0.660 1.00 0.00 H new ATOM 270 N ARG A 46 6.112 2.153 -2.890 1.00 50.00 N ATOM 271 CA ARG A 46 5.268 1.610 -3.993 1.00 50.00 C ATOM 272 C ARG A 46 3.983 0.998 -3.429 1.00 50.00 C ATOM 273 O ARG A 46 2.950 1.000 -4.069 1.00 50.00 O ATOM 274 CB ARG A 46 6.129 0.537 -4.661 1.00 0.00 C ATOM 275 CG ARG A 46 5.344 -0.101 -5.810 1.00 0.00 C ATOM 276 CD ARG A 46 6.285 -0.966 -6.653 1.00 0.00 C ATOM 277 NE ARG A 46 5.414 -1.571 -7.698 1.00 0.00 N ATOM 278 CZ ARG A 46 5.378 -1.056 -8.897 1.00 0.00 C ATOM 279 NH1 ARG A 46 6.111 -1.567 -9.849 1.00 0.00 N ATOM 280 NH2 ARG A 46 4.609 -0.031 -9.143 1.00 0.00 N ATOM 0 H ARG A 46 7.032 1.722 -2.795 1.00 50.00 H new ATOM 0 HA ARG A 46 4.964 2.384 -4.698 1.00 50.00 H new ATOM 0 HB2 ARG A 46 7.052 0.978 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.412 -0.223 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.530 -0.709 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.892 0.673 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.079 -0.367 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.766 -1.733 -6.047 1.00 0.00 H new ATOM 0 HE ARG A 46 4.845 -2.388 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.712 -2.368 -9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.083 -1.165 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.037 0.367 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.580 0.372 -10.080 1.00 0.00 H new ATOM 294 N TYR A 47 4.038 0.472 -2.237 1.00 50.00 N ATOM 295 CA TYR A 47 2.817 -0.142 -1.638 1.00 50.00 C ATOM 296 C TYR A 47 2.311 0.695 -0.461 1.00 50.00 C ATOM 297 O TYR A 47 3.077 1.132 0.377 1.00 50.00 O ATOM 298 CB TYR A 47 3.264 -1.514 -1.137 1.00 0.00 C ATOM 299 CG TYR A 47 3.691 -2.376 -2.300 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.898 -2.116 -2.961 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.883 -3.441 -2.710 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.294 -2.923 -4.034 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.280 -4.249 -3.781 1.00 0.00 C ATOM 304 CZ TYR A 47 4.486 -3.989 -4.444 1.00 0.00 C ATOM 305 OH TYR A 47 4.878 -4.787 -5.500 1.00 0.00 O ATOM 0 H TYR A 47 4.873 0.440 -1.652 1.00 50.00 H new ATOM 0 HA TYR A 47 2.005 -0.205 -2.362 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.090 -1.402 -0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.449 -1.996 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.522 -1.294 -2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.952 -3.640 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.224 -2.723 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.657 -5.073 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 47 4.203 -5.481 -5.654 1.00 0.00 H new ATOM 315 N LYS A 48 1.026 0.907 -0.380 1.00 50.00 N ATOM 316 CA LYS A 48 0.475 1.697 0.757 1.00 50.00 C ATOM 317 C LYS A 48 0.197 0.763 1.937 1.00 50.00 C ATOM 318 O LYS A 48 0.026 -0.429 1.767 1.00 50.00 O ATOM 319 CB LYS A 48 -0.825 2.307 0.233 1.00 0.00 C ATOM 320 CG LYS A 48 -1.336 3.350 1.232 1.00 0.00 C ATOM 321 CD LYS A 48 -0.516 4.635 1.093 1.00 0.00 C ATOM 322 CE LYS A 48 -1.053 5.691 2.063 1.00 0.00 C ATOM 323 NZ LYS A 48 -0.700 5.183 3.419 1.00 0.00 N ATOM 0 H LYS A 48 0.336 0.568 -1.050 1.00 50.00 H new ATOM 0 HA LYS A 48 1.163 2.467 1.105 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -0.656 2.770 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.573 1.528 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.390 3.557 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.258 2.964 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.534 4.433 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.571 5.005 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.601 6.665 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.131 5.814 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.635 5.981 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.434 4.522 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.216 4.691 3.378 1.00 0.00 H new ATOM 337 N GLN A 49 0.153 1.286 3.130 1.00 50.00 N ATOM 338 CA GLN A 49 -0.110 0.413 4.310 1.00 50.00 C ATOM 339 C GLN A 49 -1.613 0.314 4.574 1.00 50.00 C ATOM 340 O GLN A 49 -2.219 1.214 5.121 1.00 50.00 O ATOM 341 CB GLN A 49 0.595 1.100 5.478 1.00 0.00 C ATOM 342 CG GLN A 49 0.354 0.296 6.755 1.00 0.00 C ATOM 343 CD GLN A 49 1.241 0.840 7.875 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.238 1.485 7.618 1.00 0.00 O ATOM 345 NE2 GLN A 49 0.918 0.605 9.116 1.00 0.00 N ATOM 0 H GLN A 49 0.287 2.275 3.340 1.00 50.00 H new ATOM 0 HA GLN A 49 0.251 -0.604 4.157 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.664 1.176 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.220 2.116 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.695 0.359 7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.574 -0.757 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.081 0.063 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.502 0.963 9.872 1.00 0.00 H new ATOM 354 N ILE A 50 -2.219 -0.778 4.197 1.00 50.00 N ATOM 355 CA ILE A 50 -3.680 -0.935 4.437 1.00 50.00 C ATOM 356 C ILE A 50 -3.945 -1.030 5.943 1.00 50.00 C ATOM 357 O ILE A 50 -4.979 -0.621 6.431 1.00 50.00 O ATOM 358 CB ILE A 50 -4.063 -2.242 3.741 1.00 0.00 C ATOM 359 CG1 ILE A 50 -3.663 -2.174 2.263 1.00 0.00 C ATOM 360 CG2 ILE A 50 -5.575 -2.454 3.854 1.00 0.00 C ATOM 361 CD1 ILE A 50 -4.524 -1.135 1.543 1.00 0.00 C ATOM 0 H ILE A 50 -1.766 -1.566 3.734 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.259 -0.093 4.056 1.00 50.00 H new ATOM 0 HB ILE A 50 -3.543 -3.073 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.609 -1.912 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.789 -3.151 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.850 -3.385 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.858 -2.505 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.096 -1.623 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.237 -1.089 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.574 -1.416 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.375 -0.158 2.003 1.00 0.00 H new ATOM 373 N GLY A 51 -3.009 -1.566 6.677 1.00 50.00 N ATOM 374 CA GLY A 51 -3.189 -1.692 8.150 1.00 50.00 C ATOM 375 C GLY A 51 -2.346 -2.862 8.657 1.00 50.00 C ATOM 376 O GLY A 51 -1.188 -2.708 8.989 1.00 50.00 O ATOM 0 H GLY A 51 -2.124 -1.923 6.318 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -2.889 -0.769 8.646 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.240 -1.855 8.388 1.00 50.00 H new ATOM 380 N THR A 52 -2.916 -4.033 8.707 1.00 50.00 N ATOM 381 CA THR A 52 -2.146 -5.219 9.184 1.00 50.00 C ATOM 382 C THR A 52 -2.599 -6.472 8.434 1.00 50.00 C ATOM 383 O THR A 52 -3.769 -6.800 8.403 1.00 50.00 O ATOM 384 CB THR A 52 -2.475 -5.345 10.674 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.883 -5.434 10.841 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.949 -4.123 11.428 1.00 0.00 C ATOM 0 H THR A 52 -3.882 -4.222 8.439 1.00 50.00 H new ATOM 0 HA THR A 52 -1.075 -5.107 9.014 1.00 50.00 H new ATOM 0 HB THR A 52 -2.001 -6.243 11.071 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.267 -5.955 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.187 -4.219 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.868 -4.056 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.417 -3.222 11.032 1.00 0.00 H new ATOM 394 N CYS A 53 -1.682 -7.179 7.834 1.00 50.00 N ATOM 395 CA CYS A 53 -2.062 -8.415 7.094 1.00 50.00 C ATOM 396 C CYS A 53 -2.938 -9.295 7.980 1.00 50.00 C ATOM 397 O CYS A 53 -3.988 -9.761 7.582 1.00 50.00 O ATOM 398 CB CYS A 53 -0.739 -9.115 6.796 1.00 0.00 C ATOM 399 SG CYS A 53 -1.014 -10.449 5.603 1.00 0.00 S ATOM 0 H CYS A 53 -0.687 -6.955 7.824 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.626 -8.203 6.186 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.019 -8.400 6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.314 -9.517 7.715 1.00 0.00 H new ATOM 404 N GLY A 54 -2.504 -9.523 9.183 1.00 50.00 N ATOM 405 CA GLY A 54 -3.291 -10.370 10.121 1.00 50.00 C ATOM 406 C GLY A 54 -2.476 -10.602 11.394 1.00 50.00 C ATOM 407 O GLY A 54 -3.016 -10.758 12.470 1.00 50.00 O ATOM 0 H GLY A 54 -1.631 -9.157 9.562 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.236 -9.884 10.363 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.534 -11.323 9.652 1.00 50.00 H new ATOM 411 N LEU A 55 -1.178 -10.620 11.277 1.00 50.00 N ATOM 412 CA LEU A 55 -0.322 -10.838 12.476 1.00 50.00 C ATOM 413 C LEU A 55 0.684 -9.692 12.614 1.00 50.00 C ATOM 414 O LEU A 55 0.956 -8.989 11.660 1.00 50.00 O ATOM 415 CB LEU A 55 0.399 -12.158 12.209 1.00 0.00 C ATOM 416 CG LEU A 55 -0.615 -13.304 12.212 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.120 -14.635 12.055 1.00 0.00 C ATOM 418 CD2 LEU A 55 -1.383 -13.300 13.535 1.00 0.00 C ATOM 0 H LEU A 55 -0.672 -10.493 10.401 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.898 -10.870 13.401 1.00 50.00 H new ATOM 0 HB2 LEU A 55 0.913 -12.116 11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.160 -12.330 12.971 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.313 -13.174 11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.602 -15.452 12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.669 -14.639 11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.818 -14.765 12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.106 -14.116 13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.685 -13.430 14.362 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.907 -12.351 13.649 1.00 0.00 H new ATOM 430 N PRO A 56 1.206 -9.544 13.799 1.00 50.00 N ATOM 431 CA PRO A 56 2.196 -8.472 14.063 1.00 50.00 C ATOM 432 C PRO A 56 3.531 -8.809 13.394 1.00 50.00 C ATOM 433 O PRO A 56 4.454 -8.019 13.394 1.00 50.00 O ATOM 434 CB PRO A 56 2.331 -8.474 15.582 1.00 0.00 C ATOM 435 CG PRO A 56 1.935 -9.853 16.002 1.00 0.00 C ATOM 436 CD PRO A 56 0.930 -10.349 14.993 1.00 0.00 C ATOM 0 HA PRO A 56 1.895 -7.501 13.671 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.352 -8.246 15.888 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.686 -7.722 16.037 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.804 -10.510 16.036 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.504 -9.842 17.003 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.054 -11.414 14.795 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.092 -10.207 15.344 1.00 0.00 H new ATOM 444 N GLY A 57 3.641 -9.978 12.824 1.00 50.00 N ATOM 445 CA GLY A 57 4.914 -10.368 12.155 1.00 50.00 C ATOM 446 C GLY A 57 4.996 -9.695 10.782 1.00 50.00 C ATOM 447 O GLY A 57 6.052 -9.285 10.344 1.00 50.00 O ATOM 0 H GLY A 57 2.903 -10.681 12.793 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.765 -10.072 12.768 1.00 50.00 H new ATOM 0 HA3 GLY A 57 4.962 -11.451 12.044 1.00 50.00 H new ATOM 451 N THR A 58 3.888 -9.580 10.099 1.00 50.00 N ATOM 452 CA THR A 58 3.902 -8.935 8.755 1.00 50.00 C ATOM 453 C THR A 58 2.802 -7.876 8.664 1.00 50.00 C ATOM 454 O THR A 58 1.871 -7.863 9.446 1.00 50.00 O ATOM 455 CB THR A 58 3.626 -10.069 7.768 1.00 0.00 C ATOM 456 OG1 THR A 58 4.384 -11.213 8.135 1.00 0.00 O ATOM 457 CG2 THR A 58 4.016 -9.627 6.357 1.00 0.00 C ATOM 0 H THR A 58 2.974 -9.905 10.414 1.00 50.00 H new ATOM 0 HA THR A 58 4.848 -8.433 8.551 1.00 50.00 H new ATOM 0 HB THR A 58 2.565 -10.316 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.206 -11.940 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.819 -10.437 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.431 -8.751 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.077 -9.377 6.334 1.00 0.00 H new ATOM 465 N LYS A 59 2.902 -6.991 7.712 1.00 50.00 N ATOM 466 CA LYS A 59 1.862 -5.933 7.560 1.00 50.00 C ATOM 467 C LYS A 59 1.166 -6.081 6.202 1.00 50.00 C ATOM 468 O LYS A 59 1.645 -6.768 5.323 1.00 50.00 O ATOM 469 CB LYS A 59 2.631 -4.612 7.634 1.00 0.00 C ATOM 470 CG LYS A 59 3.202 -4.430 9.043 1.00 0.00 C ATOM 471 CD LYS A 59 2.086 -4.600 10.076 1.00 0.00 C ATOM 472 CE LYS A 59 2.549 -4.043 11.425 1.00 0.00 C ATOM 473 NZ LYS A 59 1.393 -4.248 12.342 1.00 0.00 N ATOM 0 H LYS A 59 3.660 -6.954 7.031 1.00 50.00 H new ATOM 0 HA LYS A 59 1.087 -5.992 8.324 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.437 -4.607 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.971 -3.781 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.992 -5.159 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.652 -3.442 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.187 -4.080 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.826 -5.654 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.436 -4.565 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.810 -2.987 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.742 -4.437 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.801 -3.393 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.829 -5.057 12.013 1.00 0.00 H new ATOM 487 N CYS A 60 0.039 -5.448 6.025 1.00 50.00 N ATOM 488 CA CYS A 60 -0.676 -5.567 4.721 1.00 50.00 C ATOM 489 C CYS A 60 -0.240 -4.454 3.769 1.00 50.00 C ATOM 490 O CYS A 60 -0.239 -3.289 4.115 1.00 50.00 O ATOM 491 CB CYS A 60 -2.161 -5.427 5.063 1.00 0.00 C ATOM 492 SG CYS A 60 -3.144 -5.498 3.551 1.00 0.00 S ATOM 0 H CYS A 60 -0.416 -4.857 6.721 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.460 -6.512 4.223 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.464 -6.223 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.338 -4.483 5.579 1.00 0.00 H new ATOM 497 N CYS A 61 0.126 -4.805 2.568 1.00 50.00 N ATOM 498 CA CYS A 61 0.559 -3.773 1.586 1.00 50.00 C ATOM 499 C CYS A 61 -0.251 -3.913 0.294 1.00 50.00 C ATOM 500 O CYS A 61 -0.645 -4.997 -0.088 1.00 50.00 O ATOM 501 CB CYS A 61 2.038 -4.062 1.332 1.00 0.00 C ATOM 502 SG CYS A 61 2.970 -3.847 2.868 1.00 0.00 S ATOM 0 H CYS A 61 0.144 -5.765 2.223 1.00 50.00 H new ATOM 0 HA CYS A 61 0.405 -2.758 1.951 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.162 -5.079 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.423 -3.392 0.564 1.00 0.00 H new ATOM 507 N LYS A 62 -0.506 -2.826 -0.381 1.00 50.00 N ATOM 508 CA LYS A 62 -1.294 -2.906 -1.645 1.00 50.00 C ATOM 509 C LYS A 62 -0.534 -2.230 -2.789 1.00 50.00 C ATOM 510 O LYS A 62 0.050 -1.178 -2.622 1.00 50.00 O ATOM 511 CB LYS A 62 -2.592 -2.156 -1.351 1.00 0.00 C ATOM 512 CG LYS A 62 -3.522 -2.263 -2.560 1.00 0.00 C ATOM 513 CD LYS A 62 -4.866 -1.611 -2.230 1.00 0.00 C ATOM 514 CE LYS A 62 -5.774 -1.671 -3.459 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.068 -1.088 -3.008 1.00 0.00 N ATOM 0 H LYS A 62 -0.204 -1.889 -0.114 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.477 -3.936 -1.951 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.075 -2.574 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.379 -1.109 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.071 -1.774 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.669 -3.309 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.336 -2.125 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.715 -0.575 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.353 -1.104 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.902 -2.696 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.745 -1.094 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.448 -1.653 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.916 -0.110 -2.690 1.00 0.00 H new ATOM 529 N LYS A 63 -0.542 -2.825 -3.951 1.00 50.00 N ATOM 530 CA LYS A 63 0.177 -2.217 -5.107 1.00 50.00 C ATOM 531 C LYS A 63 -0.440 -0.862 -5.464 1.00 50.00 C ATOM 532 O LYS A 63 -1.597 -0.613 -5.191 1.00 50.00 O ATOM 533 CB LYS A 63 -0.010 -3.209 -6.257 1.00 0.00 C ATOM 534 CG LYS A 63 0.539 -4.576 -5.848 1.00 0.00 C ATOM 535 CD LYS A 63 0.369 -5.560 -7.006 1.00 0.00 C ATOM 536 CE LYS A 63 -1.086 -6.035 -7.064 1.00 0.00 C ATOM 537 NZ LYS A 63 -1.201 -7.036 -5.968 1.00 0.00 N ATOM 0 H LYS A 63 -1.016 -3.706 -4.150 1.00 50.00 H new ATOM 0 HA LYS A 63 1.230 -2.038 -4.888 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.067 -3.291 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.506 -2.850 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.592 -4.492 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.014 -4.942 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.644 -5.082 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.036 -6.412 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.779 -5.207 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.319 -6.479 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.637 -7.905 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.255 -7.254 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.792 -6.649 -5.205 1.00 0.00 H new