USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 128 hydrogens (3 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 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 41:sc= 0.282 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 SER OG : rot 31:sc= 0.351 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.637 -3.488 -0.279 1.00 0.00 C HETATM 2 O ACE A 127 -3.077 -2.984 0.757 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.590 -3.862 -1.415 1.00 0.00 C HETATM 0 H1 ACE A 127 -3.318 -3.310 -2.315 1.00 0.00 H new HETATM 0 H2 ACE A 127 -3.520 -4.932 -1.611 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.612 -3.611 -1.130 1.00 0.00 H new ATOM 7 N LYS A 128 -1.334 -3.731 -0.498 1.00 0.00 N ATOM 8 CA LYS A 128 -0.275 -3.427 0.503 1.00 0.00 C ATOM 9 C LYS A 128 0.262 -1.991 0.267 1.00 0.00 C ATOM 10 O LYS A 128 0.737 -1.668 -0.827 1.00 0.00 O ATOM 11 CB LYS A 128 0.910 -4.425 0.395 1.00 0.00 C ATOM 12 CG LYS A 128 0.588 -5.873 0.823 1.00 0.00 C ATOM 13 CD LYS A 128 1.812 -6.804 0.714 1.00 0.00 C ATOM 14 CE LYS A 128 1.497 -8.249 1.139 1.00 0.00 C ATOM 15 NZ LYS A 128 2.684 -9.115 1.023 1.00 0.00 N ATOM 0 H LYS A 128 -0.978 -4.140 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.717 -3.515 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.262 -4.437 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.733 -4.056 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 128 0.225 -5.873 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.218 -6.262 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 128 2.174 -6.803 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 128 2.617 -6.414 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.138 -8.257 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.694 -8.645 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.438 -10.082 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.011 -9.126 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 3.442 -8.749 1.635 1.00 0.00 H new ATOM 28 N CYS A 129 0.229 -1.160 1.325 1.00 0.00 N ATOM 29 CA CYS A 129 0.726 0.248 1.290 1.00 0.00 C ATOM 30 C CYS A 129 2.221 0.368 0.858 1.00 0.00 C ATOM 31 O CYS A 129 2.512 0.988 -0.169 1.00 0.00 O ATOM 32 CB CYS A 129 0.454 0.899 2.665 1.00 0.00 C ATOM 33 SG CYS A 129 -1.295 0.808 3.106 1.00 0.00 S ATOM 0 H CYS A 129 -0.142 -1.436 2.234 1.00 0.00 H new ATOM 0 HA CYS A 129 0.180 0.788 0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 129 1.049 0.400 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.771 1.942 2.644 1.00 0.00 H new ATOM 38 N THR A 130 3.126 -0.275 1.616 1.00 0.00 N ATOM 39 CA THR A 130 4.546 -0.473 1.221 1.00 0.00 C ATOM 40 C THR A 130 4.648 -1.965 0.790 1.00 0.00 C ATOM 41 O THR A 130 4.787 -2.862 1.631 1.00 0.00 O ATOM 42 CB THR A 130 5.550 -0.106 2.359 1.00 0.00 C ATOM 43 OG1 THR A 130 5.225 -0.776 3.576 1.00 0.00 O ATOM 44 CG2 THR A 130 5.619 1.401 2.655 1.00 0.00 C ATOM 0 H THR A 130 2.899 -0.677 2.526 1.00 0.00 H new ATOM 0 HA THR A 130 4.825 0.196 0.407 1.00 0.00 H new ATOM 0 HB THR A 130 6.522 -0.430 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.963 -1.700 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.336 1.582 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 130 5.935 1.934 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 130 4.635 1.757 2.961 1.00 0.00 H new ATOM 52 N SER A 131 4.547 -2.225 -0.529 1.00 0.00 N ATOM 53 CA SER A 131 4.591 -3.605 -1.089 1.00 0.00 C ATOM 54 C SER A 131 6.054 -4.143 -1.102 1.00 0.00 C ATOM 55 O SER A 131 6.366 -5.042 -0.315 1.00 0.00 O ATOM 56 CB SER A 131 3.884 -3.602 -2.466 1.00 0.00 C ATOM 57 OG SER A 131 3.791 -4.923 -2.984 1.00 0.00 O ATOM 0 H SER A 131 4.434 -1.498 -1.235 1.00 0.00 H new ATOM 0 HA SER A 131 4.046 -4.308 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.887 -3.173 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.435 -2.970 -3.163 1.00 0.00 H new ATOM 0 HG SER A 131 3.340 -4.902 -3.854 1.00 0.00 H new ATOM 63 N ASP A 132 6.937 -3.577 -1.948 1.00 0.00 N ATOM 64 CA ASP A 132 8.400 -3.854 -1.914 1.00 0.00 C ATOM 65 C ASP A 132 9.045 -2.635 -1.186 1.00 0.00 C ATOM 66 O ASP A 132 9.379 -2.752 -0.003 1.00 0.00 O ATOM 67 CB ASP A 132 8.954 -4.139 -3.339 1.00 0.00 C ATOM 68 CG ASP A 132 8.494 -5.470 -3.952 1.00 0.00 C ATOM 69 OD1 ASP A 132 7.535 -5.566 -4.718 1.00 0.00 O ATOM 70 OD2 ASP A 132 9.267 -6.526 -3.543 1.00 0.00 O ATOM 0 H ASP A 132 6.664 -2.916 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 132 8.646 -4.764 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.653 -3.327 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.043 -4.130 -3.299 1.00 0.00 H new ATOM 76 N GLN A 133 9.179 -1.477 -1.865 1.00 0.00 N ATOM 77 CA GLN A 133 9.589 -0.195 -1.237 1.00 0.00 C ATOM 78 C GLN A 133 8.724 0.910 -1.910 1.00 0.00 C ATOM 79 O GLN A 133 9.151 1.559 -2.870 1.00 0.00 O ATOM 80 CB GLN A 133 11.132 0.017 -1.297 1.00 0.00 C ATOM 81 CG GLN A 133 11.835 -0.074 -2.678 1.00 0.00 C ATOM 82 CD GLN A 133 13.353 0.158 -2.592 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.825 1.294 -2.589 1.00 0.00 O ATOM 84 NE2 GLN A 133 14.145 -0.902 -2.523 1.00 0.00 N ATOM 0 H GLN A 133 9.006 -1.400 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 133 9.399 -0.174 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.349 0.999 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.594 -0.719 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.646 -1.056 -3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.397 0.662 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 133 13.744 -1.840 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 133 15.156 -0.780 -2.467 1.00 0.00 H new ATOM 93 N ASP A 134 7.482 1.093 -1.411 1.00 0.00 N ATOM 94 CA ASP A 134 6.492 2.026 -2.025 1.00 0.00 C ATOM 95 C ASP A 134 5.948 2.989 -0.931 1.00 0.00 C ATOM 96 O ASP A 134 4.805 2.872 -0.477 1.00 0.00 O ATOM 97 CB ASP A 134 5.359 1.215 -2.726 1.00 0.00 C ATOM 98 CG ASP A 134 5.801 0.394 -3.948 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.115 -0.795 -3.887 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.809 1.140 -5.099 1.00 0.00 O ATOM 0 H ASP A 134 7.134 0.609 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 134 6.969 2.634 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.913 0.539 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.578 1.908 -3.037 1.00 0.00 H new ATOM 106 N GLU A 135 6.773 3.975 -0.526 1.00 0.00 N ATOM 107 CA GLU A 135 6.387 4.987 0.505 1.00 0.00 C ATOM 108 C GLU A 135 5.463 6.094 -0.091 1.00 0.00 C ATOM 109 O GLU A 135 4.374 6.313 0.448 1.00 0.00 O ATOM 110 CB GLU A 135 7.652 5.595 1.175 1.00 0.00 C ATOM 111 CG GLU A 135 8.445 4.596 2.049 1.00 0.00 C ATOM 112 CD GLU A 135 9.673 5.229 2.706 1.00 0.00 C ATOM 113 OE1 GLU A 135 9.660 5.716 3.837 1.00 0.00 O ATOM 114 OE2 GLU A 135 10.776 5.191 1.892 1.00 0.00 O ATOM 0 H GLU A 135 7.716 4.101 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 135 5.810 4.477 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.310 5.984 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.352 6.442 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.789 4.197 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.761 3.753 1.434 1.00 0.00 H new ATOM 122 N GLN A 136 5.866 6.753 -1.199 1.00 0.00 N ATOM 123 CA GLN A 136 4.998 7.718 -1.935 1.00 0.00 C ATOM 124 C GLN A 136 3.806 7.075 -2.733 1.00 0.00 C ATOM 125 O GLN A 136 2.823 7.778 -2.984 1.00 0.00 O ATOM 126 CB GLN A 136 5.936 8.547 -2.859 1.00 0.00 C ATOM 127 CG GLN A 136 5.307 9.820 -3.472 1.00 0.00 C ATOM 128 CD GLN A 136 6.291 10.620 -4.342 1.00 0.00 C ATOM 129 OE1 GLN A 136 6.496 10.317 -5.517 1.00 0.00 O ATOM 130 NE2 GLN A 136 6.913 11.653 -3.793 1.00 0.00 N ATOM 0 H GLN A 136 6.792 6.638 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 136 4.486 8.346 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.818 8.837 -2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.279 7.905 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 136 4.445 9.537 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 136 4.939 10.459 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.736 11.896 -2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.569 12.206 -4.345 1.00 0.00 H new ATOM 139 N PHE A 137 3.872 5.777 -3.101 1.00 0.00 N ATOM 140 CA PHE A 137 2.799 5.077 -3.850 1.00 0.00 C ATOM 141 C PHE A 137 2.040 4.131 -2.879 1.00 0.00 C ATOM 142 O PHE A 137 2.642 3.306 -2.187 1.00 0.00 O ATOM 143 CB PHE A 137 3.433 4.297 -5.043 1.00 0.00 C ATOM 144 CG PHE A 137 2.432 3.460 -5.873 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.545 4.080 -6.761 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.338 2.077 -5.665 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.579 3.330 -7.427 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.372 1.330 -6.334 1.00 0.00 C ATOM 149 CZ PHE A 137 0.492 1.957 -7.212 1.00 0.00 C ATOM 0 H PHE A 137 4.672 5.181 -2.888 1.00 0.00 H new ATOM 0 HA PHE A 137 2.082 5.790 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.926 5.010 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.207 3.634 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.610 5.145 -6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.018 1.589 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.103 3.814 -8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.305 0.264 -6.172 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.260 1.377 -7.727 1.00 0.00 H new ATOM 159 N ILE A 138 0.701 4.235 -2.894 1.00 0.00 N ATOM 160 CA ILE A 138 -0.192 3.284 -2.175 1.00 0.00 C ATOM 161 C ILE A 138 -1.207 2.725 -3.242 1.00 0.00 C ATOM 162 O ILE A 138 -1.852 3.532 -3.925 1.00 0.00 O ATOM 163 CB ILE A 138 -0.867 3.878 -0.888 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.825 5.091 -1.111 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.206 4.239 0.173 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.312 4.714 -1.209 1.00 0.00 C ATOM 0 H ILE A 138 0.202 4.969 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 138 0.394 2.467 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.513 3.075 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.695 5.797 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.532 5.607 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.281 4.649 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.762 3.343 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.891 4.979 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.906 5.615 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.460 4.033 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.625 4.227 -0.286 1.00 0.00 H new ATOM 178 N PRO A 139 -1.397 1.385 -3.432 1.00 0.00 N ATOM 179 CA PRO A 139 -2.319 0.823 -4.460 1.00 0.00 C ATOM 180 C PRO A 139 -3.828 0.820 -4.048 1.00 0.00 C ATOM 181 O PRO A 139 -4.215 1.303 -2.977 1.00 0.00 O ATOM 182 CB PRO A 139 -1.712 -0.589 -4.644 1.00 0.00 C ATOM 183 CG PRO A 139 -1.169 -0.972 -3.269 1.00 0.00 C ATOM 184 CD PRO A 139 -0.636 0.346 -2.719 1.00 0.00 C ATOM 0 HA PRO A 139 -2.369 1.413 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.465 -1.301 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.920 -0.583 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.949 -1.388 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.383 -1.724 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.786 0.415 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.434 0.446 -2.899 1.00 0.00 H new ATOM 192 N LYS A 140 -4.670 0.246 -4.932 1.00 0.00 N ATOM 193 CA LYS A 140 -6.119 0.045 -4.687 1.00 0.00 C ATOM 194 C LYS A 140 -6.287 -1.136 -3.683 1.00 0.00 C ATOM 195 O LYS A 140 -5.985 -2.296 -3.983 1.00 0.00 O ATOM 196 CB LYS A 140 -6.824 -0.213 -6.047 1.00 0.00 C ATOM 197 CG LYS A 140 -8.368 -0.242 -5.975 1.00 0.00 C ATOM 198 CD LYS A 140 -9.030 -0.470 -7.347 1.00 0.00 C ATOM 199 CE LYS A 140 -10.567 -0.499 -7.265 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.174 -0.718 -8.589 1.00 0.00 N ATOM 0 H LYS A 140 -4.364 -0.095 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.583 0.926 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.521 0.561 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.474 -1.164 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.680 -1.032 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.725 0.700 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.721 0.320 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.674 -1.411 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.881 -1.290 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.928 0.442 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.210 -0.732 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.893 0.051 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.848 -1.627 -8.974 1.00 0.00 H new ATOM 213 N GLY A 141 -6.759 -0.773 -2.488 1.00 0.00 N ATOM 214 CA GLY A 141 -6.825 -1.688 -1.319 1.00 0.00 C ATOM 215 C GLY A 141 -6.000 -1.289 -0.064 1.00 0.00 C ATOM 216 O GLY A 141 -6.194 -1.911 0.983 1.00 0.00 O ATOM 0 H GLY A 141 -7.110 0.164 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.869 -1.783 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.494 -2.675 -1.642 1.00 0.00 H new ATOM 220 N CYS A 142 -5.110 -0.277 -0.136 1.00 0.00 N ATOM 221 CA CYS A 142 -4.393 0.278 1.044 1.00 0.00 C ATOM 222 C CYS A 142 -5.336 1.181 1.893 1.00 0.00 C ATOM 223 O CYS A 142 -5.653 0.820 3.030 1.00 0.00 O ATOM 224 CB CYS A 142 -3.113 0.993 0.553 1.00 0.00 C ATOM 225 SG CYS A 142 -2.371 1.966 1.885 1.00 0.00 S ATOM 0 H CYS A 142 -4.864 0.183 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.083 -0.520 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.396 0.257 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.354 1.643 -0.288 1.00 0.00 H new ATOM 230 N SER A 143 -5.785 2.321 1.334 1.00 0.00 N ATOM 231 CA SER A 143 -6.743 3.240 2.000 1.00 0.00 C ATOM 232 C SER A 143 -8.172 2.950 1.459 1.00 0.00 C ATOM 233 O SER A 143 -8.566 3.433 0.391 1.00 0.00 O ATOM 234 CB SER A 143 -6.295 4.708 1.796 1.00 0.00 C ATOM 235 OG SER A 143 -6.235 5.089 0.423 1.00 0.00 O ATOM 0 H SER A 143 -5.497 2.636 0.408 1.00 0.00 H new ATOM 0 HA SER A 143 -6.761 3.074 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.986 5.369 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.314 4.848 2.249 1.00 0.00 H new ATOM 0 HG SER A 143 -6.909 4.590 -0.085 1.00 0.00 H new ATOM 241 N LYS A 144 -8.932 2.135 2.214 1.00 0.00 N ATOM 242 CA LYS A 144 -10.315 1.733 1.842 1.00 0.00 C ATOM 243 C LYS A 144 -11.324 2.722 2.470 1.00 0.00 C ATOM 244 O LYS A 144 -12.028 3.474 1.795 1.00 0.00 O ATOM 245 CB LYS A 144 -10.606 0.270 2.271 1.00 0.00 C ATOM 246 CG LYS A 144 -9.845 -0.814 1.472 1.00 0.00 C ATOM 247 CD LYS A 144 -10.252 -2.243 1.881 1.00 0.00 C ATOM 248 CE LYS A 144 -9.529 -3.331 1.066 1.00 0.00 C ATOM 249 NZ LYS A 144 -9.956 -4.682 1.469 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.348 2.676 3.844 1.00 0.00 O ATOM 0 H LYS A 144 -8.613 1.735 3.096 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.419 1.771 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.358 0.162 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.676 0.086 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.035 -0.676 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -8.773 -0.687 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.037 -2.387 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.329 -2.358 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -9.731 -3.186 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.452 -3.233 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.450 -5.390 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.741 -4.828 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -10.980 -4.783 1.316 1.00 0.00 H new TER 264 LYS A 144