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 (4 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 180:sc= 0 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 40:sc= 1.37 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -5.777 -4.172 -1.266 1.00 0.00 C HETATM 2 O ACE A 127 -4.922 -3.874 -0.429 1.00 0.00 O HETATM 3 CH3 ACE A 127 -7.252 -4.230 -0.871 1.00 0.00 C HETATM 0 H1 ACE A 127 -7.818 -3.517 -1.471 1.00 0.00 H new HETATM 0 H2 ACE A 127 -7.636 -5.235 -1.045 1.00 0.00 H new HETATM 0 H3 ACE A 127 -7.356 -3.979 0.185 1.00 0.00 H new ATOM 7 N LYS A 128 -5.504 -4.456 -2.551 1.00 0.00 N ATOM 8 CA LYS A 128 -4.120 -4.456 -3.102 1.00 0.00 C ATOM 9 C LYS A 128 -3.709 -3.007 -3.486 1.00 0.00 C ATOM 10 O LYS A 128 -4.414 -2.311 -4.226 1.00 0.00 O ATOM 11 CB LYS A 128 -4.004 -5.397 -4.334 1.00 0.00 C ATOM 12 CG LYS A 128 -3.784 -6.893 -4.018 1.00 0.00 C ATOM 13 CD LYS A 128 -5.033 -7.668 -3.538 1.00 0.00 C ATOM 14 CE LYS A 128 -4.808 -9.173 -3.290 1.00 0.00 C ATOM 15 NZ LYS A 128 -4.612 -9.948 -4.531 1.00 0.00 N ATOM 0 H LYS A 128 -6.221 -4.691 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 128 -3.443 -4.831 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -4.913 -5.300 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -3.178 -5.051 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.398 -7.381 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.012 -6.974 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -5.393 -7.213 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -5.823 -7.551 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.936 -9.302 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -5.664 -9.577 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.466 -10.950 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -5.453 -9.853 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.779 -9.587 -5.038 1.00 0.00 H new ATOM 28 N CYS A 129 -2.567 -2.574 -2.927 1.00 0.00 N ATOM 29 CA CYS A 129 -2.067 -1.188 -3.055 1.00 0.00 C ATOM 30 C CYS A 129 -0.712 -1.259 -3.818 1.00 0.00 C ATOM 31 O CYS A 129 -0.699 -1.482 -5.032 1.00 0.00 O ATOM 32 CB CYS A 129 -2.084 -0.583 -1.630 1.00 0.00 C ATOM 33 SG CYS A 129 -3.736 -0.709 -0.927 1.00 0.00 S ATOM 0 H CYS A 129 -1.959 -3.175 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 129 -2.670 -0.504 -3.652 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.369 -1.106 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -1.774 0.461 -1.666 1.00 0.00 H new ATOM 38 N THR A 130 0.409 -1.074 -3.101 1.00 0.00 N ATOM 39 CA THR A 130 1.792 -1.163 -3.636 1.00 0.00 C ATOM 40 C THR A 130 2.701 -1.234 -2.374 1.00 0.00 C ATOM 41 O THR A 130 2.697 -0.322 -1.542 1.00 0.00 O ATOM 42 CB THR A 130 2.173 -0.019 -4.625 1.00 0.00 C ATOM 43 OG1 THR A 130 3.508 -0.214 -5.078 1.00 0.00 O ATOM 44 CG2 THR A 130 2.066 1.401 -4.053 1.00 0.00 C ATOM 0 H THR A 130 0.385 -0.852 -2.106 1.00 0.00 H new ATOM 0 HA THR A 130 1.913 -2.043 -4.267 1.00 0.00 H new ATOM 0 HB THR A 130 1.442 -0.083 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 130 3.750 0.503 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 130 2.352 2.124 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 130 1.039 1.591 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 130 2.731 1.499 -3.195 1.00 0.00 H new ATOM 52 N SER A 131 3.427 -2.346 -2.216 1.00 0.00 N ATOM 53 CA SER A 131 4.211 -2.640 -0.985 1.00 0.00 C ATOM 54 C SER A 131 5.712 -2.835 -1.326 1.00 0.00 C ATOM 55 O SER A 131 6.077 -3.784 -2.030 1.00 0.00 O ATOM 56 CB SER A 131 3.627 -3.895 -0.293 1.00 0.00 C ATOM 57 OG SER A 131 2.328 -3.628 0.227 1.00 0.00 O ATOM 0 H SER A 131 3.496 -3.073 -2.928 1.00 0.00 H new ATOM 0 HA SER A 131 4.138 -1.795 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.576 -4.718 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.288 -4.212 0.513 1.00 0.00 H new ATOM 0 HG SER A 131 1.976 -4.434 0.659 1.00 0.00 H new ATOM 63 N ASP A 132 6.576 -1.937 -0.807 1.00 0.00 N ATOM 64 CA ASP A 132 8.050 -2.050 -0.955 1.00 0.00 C ATOM 65 C ASP A 132 8.709 -1.534 0.367 1.00 0.00 C ATOM 66 O ASP A 132 8.697 -2.261 1.365 1.00 0.00 O ATOM 67 CB ASP A 132 8.487 -1.406 -2.311 1.00 0.00 C ATOM 68 CG ASP A 132 9.951 -1.657 -2.701 1.00 0.00 C ATOM 69 OD1 ASP A 132 10.386 -2.762 -3.021 1.00 0.00 O ATOM 70 OD2 ASP A 132 10.706 -0.512 -2.654 1.00 0.00 O ATOM 0 H ASP A 132 6.279 -1.118 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 132 8.414 -3.073 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.844 -1.789 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.319 -0.330 -2.257 1.00 0.00 H new ATOM 76 N GLN A 133 9.322 -0.337 0.358 1.00 0.00 N ATOM 77 CA GLN A 133 10.242 0.142 1.420 1.00 0.00 C ATOM 78 C GLN A 133 9.698 1.423 2.122 1.00 0.00 C ATOM 79 O GLN A 133 10.218 2.524 1.922 1.00 0.00 O ATOM 80 CB GLN A 133 11.634 0.323 0.736 1.00 0.00 C ATOM 81 CG GLN A 133 12.861 0.274 1.668 1.00 0.00 C ATOM 82 CD GLN A 133 13.072 1.478 2.603 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.652 1.470 3.760 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.718 2.533 2.128 1.00 0.00 N ATOM 0 H GLN A 133 9.194 0.339 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 133 10.332 -0.573 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.747 -0.453 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.638 1.280 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 133 12.785 -0.623 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 133 13.752 0.163 1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 133 14.062 2.530 1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.871 3.348 2.722 1.00 0.00 H new ATOM 93 N ASP A 134 8.676 1.241 2.981 1.00 0.00 N ATOM 94 CA ASP A 134 8.105 2.285 3.903 1.00 0.00 C ATOM 95 C ASP A 134 7.301 3.426 3.227 1.00 0.00 C ATOM 96 O ASP A 134 6.101 3.552 3.485 1.00 0.00 O ATOM 97 CB ASP A 134 9.162 2.736 4.951 1.00 0.00 C ATOM 98 CG ASP A 134 8.647 3.648 6.075 1.00 0.00 C ATOM 99 OD1 ASP A 134 8.786 4.871 6.069 1.00 0.00 O ATOM 100 OD2 ASP A 134 8.015 2.945 7.068 1.00 0.00 O ATOM 0 H ASP A 134 8.200 0.343 3.067 1.00 0.00 H new ATOM 0 HA ASP A 134 7.305 1.794 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.599 1.846 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.965 3.255 4.428 1.00 0.00 H new ATOM 106 N GLU A 135 7.948 4.254 2.415 1.00 0.00 N ATOM 107 CA GLU A 135 7.281 5.305 1.607 1.00 0.00 C ATOM 108 C GLU A 135 7.187 4.977 0.078 1.00 0.00 C ATOM 109 O GLU A 135 6.279 5.497 -0.576 1.00 0.00 O ATOM 110 CB GLU A 135 7.991 6.628 1.956 1.00 0.00 C ATOM 111 CG GLU A 135 9.481 6.770 1.558 1.00 0.00 C ATOM 112 CD GLU A 135 10.029 8.177 1.799 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.055 9.050 0.932 1.00 0.00 O ATOM 114 OE2 GLU A 135 10.482 8.345 3.083 1.00 0.00 O ATOM 0 H GLU A 135 8.960 4.226 2.288 1.00 0.00 H new ATOM 0 HA GLU A 135 6.224 5.379 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 135 7.438 7.440 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.916 6.775 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 135 10.074 6.052 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 135 9.596 6.516 0.504 1.00 0.00 H new ATOM 122 N GLN A 136 8.016 4.056 -0.474 1.00 0.00 N ATOM 123 CA GLN A 136 7.578 3.186 -1.616 1.00 0.00 C ATOM 124 C GLN A 136 6.573 2.023 -1.224 1.00 0.00 C ATOM 125 O GLN A 136 6.235 1.176 -2.056 1.00 0.00 O ATOM 126 CB GLN A 136 8.845 2.600 -2.308 1.00 0.00 C ATOM 127 CG GLN A 136 9.851 3.596 -2.937 1.00 0.00 C ATOM 128 CD GLN A 136 9.294 4.414 -4.116 1.00 0.00 C ATOM 129 OE1 GLN A 136 9.132 3.907 -5.226 1.00 0.00 O ATOM 130 NE2 GLN A 136 8.994 5.688 -3.906 1.00 0.00 N ATOM 0 H GLN A 136 8.973 3.891 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 136 7.011 3.823 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 136 9.382 2.002 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 136 8.514 1.919 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 136 10.192 4.284 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 136 10.725 3.042 -3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.132 6.099 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.625 6.257 -4.668 1.00 0.00 H new ATOM 139 N PHE A 137 6.047 2.053 0.013 1.00 0.00 N ATOM 140 CA PHE A 137 5.016 1.153 0.560 1.00 0.00 C ATOM 141 C PHE A 137 3.869 2.077 1.020 1.00 0.00 C ATOM 142 O PHE A 137 4.052 3.014 1.806 1.00 0.00 O ATOM 143 CB PHE A 137 5.600 0.370 1.776 1.00 0.00 C ATOM 144 CG PHE A 137 4.673 -0.372 2.765 1.00 0.00 C ATOM 145 CD1 PHE A 137 4.101 0.320 3.845 1.00 0.00 C ATOM 146 CD2 PHE A 137 4.512 -1.757 2.687 1.00 0.00 C ATOM 147 CE1 PHE A 137 3.391 -0.364 4.824 1.00 0.00 C ATOM 148 CE2 PHE A 137 3.802 -2.441 3.669 1.00 0.00 C ATOM 149 CZ PHE A 137 3.238 -1.745 4.736 1.00 0.00 C ATOM 0 H PHE A 137 6.348 2.747 0.698 1.00 0.00 H new ATOM 0 HA PHE A 137 4.674 0.421 -0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 137 6.296 -0.368 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 137 6.187 1.079 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.214 1.392 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 137 4.942 -2.301 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.958 0.176 5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 137 3.688 -3.513 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 137 2.682 -2.276 5.494 1.00 0.00 H new ATOM 159 N ILE A 138 2.656 1.748 0.588 1.00 0.00 N ATOM 160 CA ILE A 138 1.436 2.049 1.352 1.00 0.00 C ATOM 161 C ILE A 138 0.788 0.660 1.731 1.00 0.00 C ATOM 162 O ILE A 138 1.042 -0.363 1.076 1.00 0.00 O ATOM 163 CB ILE A 138 0.535 3.089 0.629 1.00 0.00 C ATOM 164 CG1 ILE A 138 0.149 2.678 -0.811 1.00 0.00 C ATOM 165 CG2 ILE A 138 1.220 4.491 0.667 1.00 0.00 C ATOM 166 CD1 ILE A 138 -1.147 3.340 -1.255 1.00 0.00 C ATOM 0 H ILE A 138 2.484 1.268 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 138 1.638 2.571 2.287 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.409 3.134 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 138 0.951 2.953 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 138 0.041 1.595 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.587 5.219 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 138 1.366 4.797 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.186 4.438 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -1.386 3.027 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -1.955 3.044 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -1.030 4.423 -1.227 1.00 0.00 H new ATOM 178 N PRO A 139 -0.020 0.557 2.820 1.00 0.00 N ATOM 179 CA PRO A 139 -0.471 -0.739 3.397 1.00 0.00 C ATOM 180 C PRO A 139 -1.459 -1.557 2.518 1.00 0.00 C ATOM 181 O PRO A 139 -1.928 -1.087 1.478 1.00 0.00 O ATOM 182 CB PRO A 139 -1.123 -0.298 4.731 1.00 0.00 C ATOM 183 CG PRO A 139 -0.858 1.197 4.902 1.00 0.00 C ATOM 184 CD PRO A 139 -0.616 1.715 3.493 1.00 0.00 C ATOM 0 HA PRO A 139 0.362 -1.435 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.194 -0.498 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.704 -0.859 5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.707 1.698 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 139 0.006 1.374 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.543 2.029 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.054 2.575 3.488 1.00 0.00 H new ATOM 192 N LYS A 140 -1.825 -2.761 3.000 1.00 0.00 N ATOM 193 CA LYS A 140 -2.953 -3.553 2.418 1.00 0.00 C ATOM 194 C LYS A 140 -4.348 -3.095 2.977 1.00 0.00 C ATOM 195 O LYS A 140 -5.116 -3.858 3.571 1.00 0.00 O ATOM 196 CB LYS A 140 -2.660 -5.068 2.604 1.00 0.00 C ATOM 197 CG LYS A 140 -2.489 -5.592 4.051 1.00 0.00 C ATOM 198 CD LYS A 140 -2.205 -7.107 4.118 1.00 0.00 C ATOM 199 CE LYS A 140 -2.056 -7.676 5.543 1.00 0.00 C ATOM 200 NZ LYS A 140 -0.817 -7.245 6.219 1.00 0.00 N ATOM 0 H LYS A 140 -1.364 -3.215 3.789 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.021 -3.362 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.471 -5.627 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.751 -5.305 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.672 -5.054 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.393 -5.373 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -3.013 -7.636 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.291 -7.316 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -2.914 -7.368 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.075 -8.765 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -0.778 -7.662 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 0.007 -7.561 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -0.805 -6.208 6.294 1.00 0.00 H new ATOM 213 N GLY A 141 -4.656 -1.816 2.725 1.00 0.00 N ATOM 214 CA GLY A 141 -5.887 -1.146 3.203 1.00 0.00 C ATOM 215 C GLY A 141 -6.251 0.230 2.588 1.00 0.00 C ATOM 216 O GLY A 141 -7.208 0.847 3.064 1.00 0.00 O ATOM 0 H GLY A 141 -4.053 -1.203 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -6.724 -1.822 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.800 -1.017 4.282 1.00 0.00 H new ATOM 220 N CYS A 142 -5.567 0.677 1.517 1.00 0.00 N ATOM 221 CA CYS A 142 -5.921 1.910 0.763 1.00 0.00 C ATOM 222 C CYS A 142 -7.300 1.918 0.051 1.00 0.00 C ATOM 223 O CYS A 142 -8.050 2.893 0.156 1.00 0.00 O ATOM 224 CB CYS A 142 -4.823 2.109 -0.309 1.00 0.00 C ATOM 225 SG CYS A 142 -4.805 0.832 -1.582 1.00 0.00 S ATOM 0 H CYS A 142 -4.749 0.196 1.144 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.989 2.707 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.964 3.080 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.850 2.133 0.182 1.00 0.00 H new ATOM 230 N SER A 143 -7.574 0.842 -0.699 1.00 0.00 N ATOM 231 CA SER A 143 -8.594 0.851 -1.770 1.00 0.00 C ATOM 232 C SER A 143 -10.040 0.812 -1.200 1.00 0.00 C ATOM 233 O SER A 143 -10.407 -0.113 -0.467 1.00 0.00 O ATOM 234 CB SER A 143 -8.368 -0.356 -2.713 1.00 0.00 C ATOM 235 OG SER A 143 -7.107 -0.282 -3.369 1.00 0.00 O ATOM 0 H SER A 143 -7.102 -0.055 -0.586 1.00 0.00 H new ATOM 0 HA SER A 143 -8.485 1.783 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 143 -8.427 -1.281 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 143 -9.164 -0.391 -3.457 1.00 0.00 H new ATOM 0 HG SER A 143 -6.430 0.046 -2.741 1.00 0.00 H new ATOM 241 N LYS A 144 -10.843 1.832 -1.556 1.00 0.00 N ATOM 242 CA LYS A 144 -12.245 1.966 -1.086 1.00 0.00 C ATOM 243 C LYS A 144 -13.182 1.373 -2.163 1.00 0.00 C ATOM 244 O LYS A 144 -13.423 1.917 -3.243 1.00 0.00 O ATOM 245 CB LYS A 144 -12.528 3.464 -0.781 1.00 0.00 C ATOM 246 CG LYS A 144 -13.906 3.800 -0.165 1.00 0.00 C ATOM 247 CD LYS A 144 -14.124 3.272 1.272 1.00 0.00 C ATOM 248 CE LYS A 144 -15.463 3.684 1.917 1.00 0.00 C ATOM 249 NZ LYS A 144 -16.632 3.014 1.314 1.00 0.00 N ATOM 0 H LYS A 144 -10.545 2.586 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.421 1.413 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -11.755 3.825 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -12.424 4.026 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -14.032 4.883 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -14.685 3.391 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -14.064 2.184 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -13.309 3.628 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -15.431 3.455 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -15.585 4.763 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -17.499 3.333 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -16.685 3.252 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -16.536 1.984 1.423 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -13.712 0.168 -1.777 1.00 0.00 O