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 26:sc= 0.157 USER MOD Single : A 131 SER OG : rot -25:sc= 0.175 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 46:sc= 0.287 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -4.282 -3.746 3.470 1.00 0.00 C HETATM 2 O ACE A 127 -3.617 -3.270 4.394 1.00 0.00 O HETATM 3 CH3 ACE A 127 -5.805 -3.805 3.572 1.00 0.00 C HETATM 0 H1 ACE A 127 -6.247 -3.231 2.757 1.00 0.00 H new HETATM 0 H2 ACE A 127 -6.134 -4.842 3.506 1.00 0.00 H new HETATM 0 H3 ACE A 127 -6.122 -3.384 4.526 1.00 0.00 H new ATOM 7 N LYS A 128 -3.750 -4.223 2.333 1.00 0.00 N ATOM 8 CA LYS A 128 -2.281 -4.279 2.089 1.00 0.00 C ATOM 9 C LYS A 128 -1.822 -2.983 1.365 1.00 0.00 C ATOM 10 O LYS A 128 -2.319 -2.644 0.285 1.00 0.00 O ATOM 11 CB LYS A 128 -1.904 -5.518 1.235 1.00 0.00 C ATOM 12 CG LYS A 128 -2.089 -6.875 1.952 1.00 0.00 C ATOM 13 CD LYS A 128 -1.672 -8.077 1.082 1.00 0.00 C ATOM 14 CE LYS A 128 -1.860 -9.423 1.805 1.00 0.00 C ATOM 15 NZ LYS A 128 -1.455 -10.555 0.952 1.00 0.00 N ATOM 0 H LYS A 128 -4.310 -4.579 1.559 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.776 -4.361 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.509 -5.516 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.863 -5.425 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.502 -6.877 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.134 -6.988 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.259 -8.077 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.627 -7.967 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.272 -9.429 2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -2.905 -9.539 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.594 -11.447 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.033 -10.562 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.452 -10.456 0.697 1.00 0.00 H new ATOM 28 N CYS A 129 -0.854 -2.287 1.984 1.00 0.00 N ATOM 29 CA CYS A 129 -0.298 -1.012 1.461 1.00 0.00 C ATOM 30 C CYS A 129 1.073 -1.258 0.769 1.00 0.00 C ATOM 31 O CYS A 129 1.134 -1.290 -0.462 1.00 0.00 O ATOM 32 CB CYS A 129 -0.259 0.036 2.599 1.00 0.00 C ATOM 33 SG CYS A 129 -1.920 0.392 3.197 1.00 0.00 S ATOM 0 H CYS A 129 -0.430 -2.586 2.862 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.943 -0.602 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.356 -0.334 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.207 0.953 2.239 1.00 0.00 H new ATOM 38 N THR A 130 2.155 -1.444 1.547 1.00 0.00 N ATOM 39 CA THR A 130 3.535 -1.596 1.008 1.00 0.00 C ATOM 40 C THR A 130 3.839 -3.094 0.722 1.00 0.00 C ATOM 41 O THR A 130 3.802 -3.934 1.629 1.00 0.00 O ATOM 42 CB THR A 130 4.608 -0.999 1.974 1.00 0.00 C ATOM 43 OG1 THR A 130 4.543 -1.605 3.264 1.00 0.00 O ATOM 44 CG2 THR A 130 4.495 0.524 2.165 1.00 0.00 C ATOM 0 H THR A 130 2.107 -1.494 2.565 1.00 0.00 H new ATOM 0 HA THR A 130 3.587 -1.035 0.075 1.00 0.00 H new ATOM 0 HB THR A 130 5.560 -1.215 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.163 -2.505 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 130 5.273 0.864 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 130 4.615 1.021 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 130 3.517 0.767 2.580 1.00 0.00 H new ATOM 52 N SER A 131 4.163 -3.406 -0.547 1.00 0.00 N ATOM 53 CA SER A 131 4.624 -4.764 -0.955 1.00 0.00 C ATOM 54 C SER A 131 6.113 -4.989 -0.537 1.00 0.00 C ATOM 55 O SER A 131 6.373 -5.881 0.276 1.00 0.00 O ATOM 56 CB SER A 131 4.345 -4.996 -2.462 1.00 0.00 C ATOM 57 OG SER A 131 5.005 -4.056 -3.306 1.00 0.00 O ATOM 0 H SER A 131 4.116 -2.739 -1.317 1.00 0.00 H new ATOM 0 HA SER A 131 4.052 -5.525 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.662 -6.003 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.271 -4.942 -2.639 1.00 0.00 H new ATOM 0 HG SER A 131 5.177 -3.231 -2.805 1.00 0.00 H new ATOM 63 N ASP A 132 7.060 -4.172 -1.048 1.00 0.00 N ATOM 64 CA ASP A 132 8.471 -4.154 -0.584 1.00 0.00 C ATOM 65 C ASP A 132 8.633 -2.851 0.262 1.00 0.00 C ATOM 66 O ASP A 132 8.568 -2.928 1.492 1.00 0.00 O ATOM 67 CB ASP A 132 9.414 -4.326 -1.809 1.00 0.00 C ATOM 68 CG ASP A 132 10.902 -4.431 -1.448 1.00 0.00 C ATOM 69 OD1 ASP A 132 11.673 -3.472 -1.470 1.00 0.00 O ATOM 70 OD2 ASP A 132 11.263 -5.707 -1.098 1.00 0.00 O ATOM 0 H ASP A 132 6.870 -3.504 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 132 8.750 -4.983 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 132 9.120 -5.222 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.274 -3.481 -2.483 1.00 0.00 H new ATOM 76 N GLN A 133 8.824 -1.678 -0.379 1.00 0.00 N ATOM 77 CA GLN A 133 8.867 -0.364 0.310 1.00 0.00 C ATOM 78 C GLN A 133 8.266 0.656 -0.696 1.00 0.00 C ATOM 79 O GLN A 133 8.972 1.165 -1.575 1.00 0.00 O ATOM 80 CB GLN A 133 10.318 -0.025 0.759 1.00 0.00 C ATOM 81 CG GLN A 133 10.419 1.271 1.596 1.00 0.00 C ATOM 82 CD GLN A 133 11.851 1.599 2.047 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.625 2.214 1.314 1.00 0.00 O ATOM 84 NE2 GLN A 133 12.231 1.209 3.254 1.00 0.00 N ATOM 0 H GLN A 133 8.953 -1.612 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 133 8.288 -0.352 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.713 -0.857 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.949 0.072 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.031 2.104 1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.782 1.177 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.582 0.700 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.173 1.418 3.584 1.00 0.00 H new ATOM 93 N ASP A 134 6.957 0.936 -0.557 1.00 0.00 N ATOM 94 CA ASP A 134 6.226 1.872 -1.460 1.00 0.00 C ATOM 95 C ASP A 134 5.791 3.113 -0.626 1.00 0.00 C ATOM 96 O ASP A 134 4.637 3.236 -0.201 1.00 0.00 O ATOM 97 CB ASP A 134 5.022 1.150 -2.134 1.00 0.00 C ATOM 98 CG ASP A 134 5.397 0.000 -3.082 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.569 -1.159 -2.704 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.521 0.417 -4.383 1.00 0.00 O ATOM 0 H ASP A 134 6.373 0.529 0.174 1.00 0.00 H new ATOM 0 HA ASP A 134 6.871 2.209 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.370 0.758 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.444 1.886 -2.692 1.00 0.00 H new ATOM 106 N GLU A 135 6.733 4.048 -0.401 1.00 0.00 N ATOM 107 CA GLU A 135 6.488 5.271 0.424 1.00 0.00 C ATOM 108 C GLU A 135 5.663 6.348 -0.343 1.00 0.00 C ATOM 109 O GLU A 135 4.630 6.785 0.174 1.00 0.00 O ATOM 110 CB GLU A 135 7.839 5.840 0.945 1.00 0.00 C ATOM 111 CG GLU A 135 8.532 4.945 1.999 1.00 0.00 C ATOM 112 CD GLU A 135 9.911 5.460 2.414 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.963 5.052 1.921 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.835 6.419 3.392 1.00 0.00 O ATOM 0 H GLU A 135 7.680 3.989 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 135 5.880 4.982 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.514 5.978 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.664 6.825 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.896 4.876 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.633 3.936 1.599 1.00 0.00 H new ATOM 122 N GLN A 136 6.081 6.747 -1.563 1.00 0.00 N ATOM 123 CA GLN A 136 5.287 7.665 -2.435 1.00 0.00 C ATOM 124 C GLN A 136 4.040 7.023 -3.140 1.00 0.00 C ATOM 125 O GLN A 136 3.179 7.780 -3.600 1.00 0.00 O ATOM 126 CB GLN A 136 6.228 8.284 -3.508 1.00 0.00 C ATOM 127 CG GLN A 136 7.306 9.253 -2.964 1.00 0.00 C ATOM 128 CD GLN A 136 8.199 9.842 -4.068 1.00 0.00 C ATOM 129 OE1 GLN A 136 9.172 9.224 -4.500 1.00 0.00 O ATOM 130 NE2 GLN A 136 7.896 11.041 -4.545 1.00 0.00 N ATOM 0 H GLN A 136 6.966 6.451 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 136 4.875 8.419 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.727 7.474 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.619 8.817 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.817 10.066 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.930 8.725 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.088 11.545 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.471 11.459 -5.276 1.00 0.00 H new ATOM 139 N PHE A 137 3.930 5.679 -3.223 1.00 0.00 N ATOM 140 CA PHE A 137 2.806 4.978 -3.892 1.00 0.00 C ATOM 141 C PHE A 137 1.995 4.176 -2.835 1.00 0.00 C ATOM 142 O PHE A 137 2.555 3.427 -2.030 1.00 0.00 O ATOM 143 CB PHE A 137 3.388 4.049 -5.004 1.00 0.00 C ATOM 144 CG PHE A 137 2.342 3.196 -5.756 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.499 3.776 -6.711 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.168 1.847 -5.418 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.497 3.020 -7.315 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.166 1.094 -6.024 1.00 0.00 C ATOM 149 CZ PHE A 137 0.331 1.681 -6.971 1.00 0.00 C ATOM 0 H PHE A 137 4.622 5.044 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 137 2.126 5.691 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.921 4.665 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.122 3.382 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.626 4.814 -6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.814 1.389 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.151 3.473 -8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.036 0.055 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.447 1.097 -7.440 1.00 0.00 H new ATOM 159 N ILE A 138 0.659 4.300 -2.904 1.00 0.00 N ATOM 160 CA ILE A 138 -0.277 3.437 -2.128 1.00 0.00 C ATOM 161 C ILE A 138 -1.231 2.748 -3.175 1.00 0.00 C ATOM 162 O ILE A 138 -1.774 3.450 -4.038 1.00 0.00 O ATOM 163 CB ILE A 138 -1.030 4.171 -0.961 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.944 5.368 -1.375 1.00 0.00 C ATOM 165 CG2 ILE A 138 -0.016 4.630 0.121 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.421 5.002 -1.596 1.00 0.00 C ATOM 0 H ILE A 138 0.191 4.991 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 138 0.289 2.683 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.719 3.422 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.886 6.136 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.551 5.807 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.548 5.138 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.506 3.761 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.707 5.314 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.978 5.895 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.497 4.259 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.836 4.593 -0.675 1.00 0.00 H new ATOM 178 N PRO A 139 -1.479 1.404 -3.152 1.00 0.00 N ATOM 179 CA PRO A 139 -2.343 0.714 -4.151 1.00 0.00 C ATOM 180 C PRO A 139 -3.877 0.901 -3.929 1.00 0.00 C ATOM 181 O PRO A 139 -4.325 1.472 -2.927 1.00 0.00 O ATOM 182 CB PRO A 139 -1.885 -0.754 -3.972 1.00 0.00 C ATOM 183 CG PRO A 139 -1.513 -0.872 -2.495 1.00 0.00 C ATOM 184 CD PRO A 139 -0.845 0.469 -2.206 1.00 0.00 C ATOM 0 HA PRO A 139 -2.227 1.111 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.680 -1.451 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -1.034 -0.983 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.391 -1.030 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.837 -1.708 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.005 0.779 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.233 0.418 -2.360 1.00 0.00 H new ATOM 192 N LYS A 140 -4.669 0.367 -4.882 1.00 0.00 N ATOM 193 CA LYS A 140 -6.150 0.304 -4.774 1.00 0.00 C ATOM 194 C LYS A 140 -6.493 -0.885 -3.825 1.00 0.00 C ATOM 195 O LYS A 140 -6.431 -2.059 -4.206 1.00 0.00 O ATOM 196 CB LYS A 140 -6.754 0.158 -6.197 1.00 0.00 C ATOM 197 CG LYS A 140 -8.295 0.259 -6.250 1.00 0.00 C ATOM 198 CD LYS A 140 -8.856 0.138 -7.680 1.00 0.00 C ATOM 199 CE LYS A 140 -10.392 0.237 -7.724 1.00 0.00 C ATOM 200 NZ LYS A 140 -10.902 0.118 -9.101 1.00 0.00 N ATOM 0 H LYS A 140 -4.306 -0.033 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.582 1.211 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.329 0.929 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.451 -0.804 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.727 -0.525 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.606 1.212 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.427 0.923 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.545 -0.814 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.826 -0.548 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.708 1.189 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.940 0.189 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.506 0.882 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.620 -0.801 -9.497 1.00 0.00 H new ATOM 213 N GLY A 141 -6.814 -0.523 -2.577 1.00 0.00 N ATOM 214 CA GLY A 141 -6.968 -1.484 -1.456 1.00 0.00 C ATOM 215 C GLY A 141 -5.962 -1.345 -0.280 1.00 0.00 C ATOM 216 O GLY A 141 -5.763 -2.322 0.447 1.00 0.00 O ATOM 0 H GLY A 141 -6.977 0.447 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.977 -1.382 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.885 -2.494 -1.858 1.00 0.00 H new ATOM 220 N CYS A 142 -5.365 -0.155 -0.068 1.00 0.00 N ATOM 221 CA CYS A 142 -4.483 0.142 1.096 1.00 0.00 C ATOM 222 C CYS A 142 -5.284 0.254 2.425 1.00 0.00 C ATOM 223 O CYS A 142 -5.040 -0.534 3.343 1.00 0.00 O ATOM 224 CB CYS A 142 -3.649 1.403 0.769 1.00 0.00 C ATOM 225 SG CYS A 142 -2.686 1.950 2.198 1.00 0.00 S ATOM 0 H CYS A 142 -5.477 0.638 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.798 -0.689 1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.978 1.191 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.312 2.206 0.447 1.00 0.00 H new ATOM 230 N SER A 143 -6.234 1.203 2.511 1.00 0.00 N ATOM 231 CA SER A 143 -7.169 1.320 3.661 1.00 0.00 C ATOM 232 C SER A 143 -8.475 0.555 3.296 1.00 0.00 C ATOM 233 O SER A 143 -9.391 1.108 2.677 1.00 0.00 O ATOM 234 CB SER A 143 -7.394 2.811 4.013 1.00 0.00 C ATOM 235 OG SER A 143 -7.922 3.568 2.927 1.00 0.00 O ATOM 0 H SER A 143 -6.380 1.911 1.792 1.00 0.00 H new ATOM 0 HA SER A 143 -6.759 0.866 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 143 -8.076 2.879 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 143 -6.448 3.251 4.328 1.00 0.00 H new ATOM 0 HG SER A 143 -8.659 3.073 2.511 1.00 0.00 H new ATOM 241 N LYS A 144 -8.517 -0.744 3.653 1.00 0.00 N ATOM 242 CA LYS A 144 -9.638 -1.647 3.295 1.00 0.00 C ATOM 243 C LYS A 144 -9.781 -2.666 4.445 1.00 0.00 C ATOM 244 O LYS A 144 -9.038 -3.637 4.604 1.00 0.00 O ATOM 245 CB LYS A 144 -9.360 -2.305 1.913 1.00 0.00 C ATOM 246 CG LYS A 144 -10.532 -3.126 1.336 1.00 0.00 C ATOM 247 CD LYS A 144 -10.215 -3.712 -0.057 1.00 0.00 C ATOM 248 CE LYS A 144 -11.334 -4.580 -0.667 1.00 0.00 C ATOM 249 NZ LYS A 144 -12.516 -3.800 -1.083 1.00 0.00 N ATOM 250 OXT LYS A 144 -10.832 -2.364 5.273 1.00 0.00 O ATOM 0 H LYS A 144 -7.781 -1.198 4.194 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.583 -1.114 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.098 -1.523 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -8.490 -2.956 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.775 -3.938 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -11.416 -2.492 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.000 -2.890 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.308 -4.312 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.939 -5.116 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -11.640 -5.330 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -13.231 -4.440 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -12.915 -3.308 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -12.236 -3.101 -1.800 1.00 0.00 H new TER 264 LYS A 144