USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 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+ -174:sc= 0 (180deg=-0.0143) USER MOD Single : A 130 THR OG1 : rot 43:sc= 0.223 USER MOD Single : A 131 SER OG : rot -140: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 37:sc= 0.413 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.867 -2.627 0.404 1.00 0.00 C HETATM 2 O ACE A 127 -3.576 -2.626 1.414 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.478 -2.907 -0.968 1.00 0.00 C HETATM 0 H1 ACE A 127 -3.315 -2.049 -1.621 1.00 0.00 H new HETATM 0 H2 ACE A 127 -3.007 -3.789 -1.403 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.548 -3.083 -0.861 1.00 0.00 H new ATOM 7 N LYS A 128 -1.549 -2.383 0.410 1.00 0.00 N ATOM 8 CA LYS A 128 -0.769 -2.144 1.653 1.00 0.00 C ATOM 9 C LYS A 128 -0.715 -0.626 1.995 1.00 0.00 C ATOM 10 O LYS A 128 -0.333 0.210 1.170 1.00 0.00 O ATOM 11 CB LYS A 128 0.653 -2.772 1.538 1.00 0.00 C ATOM 12 CG LYS A 128 1.569 -2.279 0.389 1.00 0.00 C ATOM 13 CD LYS A 128 2.917 -3.024 0.318 1.00 0.00 C ATOM 14 CE LYS A 128 3.789 -2.554 -0.861 1.00 0.00 C ATOM 15 NZ LYS A 128 5.084 -3.257 -0.892 1.00 0.00 N ATOM 0 H LYS A 128 -0.986 -2.344 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.276 -2.638 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.173 -2.598 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.536 -3.851 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.046 -2.399 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 128 1.758 -1.213 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 128 3.461 -2.874 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 128 2.733 -4.094 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 128 3.259 -2.726 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.959 -1.480 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 5.685 -2.846 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.555 -3.157 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.927 -4.265 -1.093 1.00 0.00 H new ATOM 28 N CYS A 129 -1.091 -0.286 3.240 1.00 0.00 N ATOM 29 CA CYS A 129 -1.020 1.110 3.755 1.00 0.00 C ATOM 30 C CYS A 129 0.435 1.567 4.067 1.00 0.00 C ATOM 31 O CYS A 129 0.857 2.615 3.569 1.00 0.00 O ATOM 32 CB CYS A 129 -1.955 1.255 4.972 1.00 0.00 C ATOM 33 SG CYS A 129 -3.685 1.070 4.483 1.00 0.00 S ATOM 0 H CYS A 129 -1.451 -0.957 3.919 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.363 1.781 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.703 0.504 5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -1.806 2.230 5.436 1.00 0.00 H new ATOM 38 N THR A 130 1.193 0.782 4.855 1.00 0.00 N ATOM 39 CA THR A 130 2.650 1.008 5.073 1.00 0.00 C ATOM 40 C THR A 130 3.392 0.273 3.915 1.00 0.00 C ATOM 41 O THR A 130 3.567 -0.951 3.940 1.00 0.00 O ATOM 42 CB THR A 130 3.126 0.534 6.482 1.00 0.00 C ATOM 43 OG1 THR A 130 2.747 -0.818 6.732 1.00 0.00 O ATOM 44 CG2 THR A 130 2.583 1.403 7.630 1.00 0.00 C ATOM 0 H THR A 130 0.824 -0.024 5.359 1.00 0.00 H new ATOM 0 HA THR A 130 2.876 2.074 5.057 1.00 0.00 H new ATOM 0 HB THR A 130 4.212 0.628 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 130 2.904 -1.356 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 130 2.951 1.020 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 130 2.919 2.431 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 130 1.493 1.374 7.624 1.00 0.00 H new ATOM 52 N SER A 131 3.784 1.045 2.883 1.00 0.00 N ATOM 53 CA SER A 131 4.382 0.487 1.644 1.00 0.00 C ATOM 54 C SER A 131 5.919 0.338 1.789 1.00 0.00 C ATOM 55 O SER A 131 6.640 1.307 2.045 1.00 0.00 O ATOM 56 CB SER A 131 4.021 1.386 0.443 1.00 0.00 C ATOM 57 OG SER A 131 2.626 1.333 0.167 1.00 0.00 O ATOM 0 H SER A 131 3.699 2.061 2.879 1.00 0.00 H new ATOM 0 HA SER A 131 3.973 -0.509 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.315 2.414 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.582 1.067 -0.436 1.00 0.00 H new ATOM 0 HG SER A 131 2.485 1.318 -0.803 1.00 0.00 H new ATOM 63 N ASP A 132 6.394 -0.906 1.606 1.00 0.00 N ATOM 64 CA ASP A 132 7.835 -1.268 1.739 1.00 0.00 C ATOM 65 C ASP A 132 8.721 -0.788 0.545 1.00 0.00 C ATOM 66 O ASP A 132 9.802 -0.249 0.795 1.00 0.00 O ATOM 67 CB ASP A 132 7.978 -2.805 1.928 1.00 0.00 C ATOM 68 CG ASP A 132 7.399 -3.364 3.239 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.031 -3.407 4.294 1.00 0.00 O ATOM 70 OD2 ASP A 132 6.106 -3.799 3.092 1.00 0.00 O ATOM 0 H ASP A 132 5.798 -1.697 1.361 1.00 0.00 H new ATOM 0 HA ASP A 132 8.204 -0.741 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.488 -3.304 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.036 -3.064 1.878 1.00 0.00 H new ATOM 76 N GLN A 133 8.284 -0.974 -0.724 1.00 0.00 N ATOM 77 CA GLN A 133 9.047 -0.538 -1.926 1.00 0.00 C ATOM 78 C GLN A 133 8.936 1.006 -2.097 1.00 0.00 C ATOM 79 O GLN A 133 9.788 1.747 -1.596 1.00 0.00 O ATOM 80 CB GLN A 133 8.607 -1.440 -3.121 1.00 0.00 C ATOM 81 CG GLN A 133 9.447 -1.242 -4.404 1.00 0.00 C ATOM 82 CD GLN A 133 8.979 -2.127 -5.571 1.00 0.00 C ATOM 83 OE1 GLN A 133 8.045 -1.784 -6.296 1.00 0.00 O ATOM 84 NE2 GLN A 133 9.610 -3.273 -5.780 1.00 0.00 N ATOM 0 H GLN A 133 7.398 -1.428 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 133 10.123 -0.688 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.670 -2.485 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 133 7.561 -1.237 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.398 -0.196 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.492 -1.462 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.383 -3.548 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 133 9.323 -3.881 -6.548 1.00 0.00 H new ATOM 93 N ASP A 134 7.878 1.457 -2.774 1.00 0.00 N ATOM 94 CA ASP A 134 7.601 2.898 -3.005 1.00 0.00 C ATOM 95 C ASP A 134 6.716 3.416 -1.834 1.00 0.00 C ATOM 96 O ASP A 134 5.516 3.137 -1.774 1.00 0.00 O ATOM 97 CB ASP A 134 6.938 3.080 -4.401 1.00 0.00 C ATOM 98 CG ASP A 134 6.815 4.535 -4.898 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.973 5.532 -4.192 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.485 4.585 -6.228 1.00 0.00 O ATOM 0 H ASP A 134 7.178 0.839 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 134 8.517 3.488 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 134 7.513 2.513 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.941 2.641 -4.369 1.00 0.00 H new ATOM 106 N GLU A 135 7.335 4.184 -0.921 1.00 0.00 N ATOM 107 CA GLU A 135 6.648 4.762 0.275 1.00 0.00 C ATOM 108 C GLU A 135 5.577 5.846 -0.066 1.00 0.00 C ATOM 109 O GLU A 135 4.502 5.829 0.540 1.00 0.00 O ATOM 110 CB GLU A 135 7.700 5.338 1.264 1.00 0.00 C ATOM 111 CG GLU A 135 8.590 4.269 1.939 1.00 0.00 C ATOM 112 CD GLU A 135 9.634 4.873 2.880 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.780 5.155 2.529 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.145 5.060 4.148 1.00 0.00 O ATOM 0 H GLU A 135 8.324 4.428 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 135 6.102 3.940 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.339 6.040 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.182 5.904 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.959 3.579 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 135 9.096 3.686 1.170 1.00 0.00 H new ATOM 122 N GLN A 136 5.846 6.751 -1.033 1.00 0.00 N ATOM 123 CA GLN A 136 4.844 7.742 -1.527 1.00 0.00 C ATOM 124 C GLN A 136 3.630 7.143 -2.319 1.00 0.00 C ATOM 125 O GLN A 136 2.592 7.808 -2.382 1.00 0.00 O ATOM 126 CB GLN A 136 5.566 8.795 -2.416 1.00 0.00 C ATOM 127 CG GLN A 136 6.564 9.718 -1.675 1.00 0.00 C ATOM 128 CD GLN A 136 7.219 10.759 -2.597 1.00 0.00 C ATOM 129 OE1 GLN A 136 6.673 11.836 -2.835 1.00 0.00 O ATOM 130 NE2 GLN A 136 8.396 10.467 -3.132 1.00 0.00 N ATOM 0 H GLN A 136 6.753 6.821 -1.494 1.00 0.00 H new ATOM 0 HA GLN A 136 4.410 8.185 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.101 8.271 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 136 4.812 9.417 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.043 10.233 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.341 9.108 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.841 9.572 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.857 11.138 -3.747 1.00 0.00 H new ATOM 139 N PHE A 137 3.740 5.923 -2.887 1.00 0.00 N ATOM 140 CA PHE A 137 2.629 5.251 -3.606 1.00 0.00 C ATOM 141 C PHE A 137 2.056 4.125 -2.700 1.00 0.00 C ATOM 142 O PHE A 137 2.755 3.169 -2.349 1.00 0.00 O ATOM 143 CB PHE A 137 3.146 4.690 -4.963 1.00 0.00 C ATOM 144 CG PHE A 137 2.083 3.946 -5.802 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.094 4.654 -6.494 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.056 2.546 -5.811 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.090 3.972 -7.177 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.053 1.867 -6.496 1.00 0.00 C ATOM 149 CZ PHE A 137 0.069 2.579 -7.177 1.00 0.00 C ATOM 0 H PHE A 137 4.599 5.374 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 137 1.830 5.960 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.543 5.515 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.975 4.010 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.109 5.734 -6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.817 1.990 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.673 4.523 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.038 0.787 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.711 2.051 -7.706 1.00 0.00 H new ATOM 159 N ILE A 138 0.753 4.239 -2.393 1.00 0.00 N ATOM 160 CA ILE A 138 -0.017 3.173 -1.692 1.00 0.00 C ATOM 161 C ILE A 138 -0.977 2.540 -2.768 1.00 0.00 C ATOM 162 O ILE A 138 -1.729 3.291 -3.402 1.00 0.00 O ATOM 163 CB ILE A 138 -0.747 3.660 -0.389 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.784 4.815 -0.573 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.297 4.068 0.684 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.244 4.355 -0.689 1.00 0.00 C ATOM 0 H ILE A 138 0.197 5.064 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 138 0.661 2.415 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.336 2.800 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.699 5.499 0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.523 5.380 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.218 4.404 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.925 3.211 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.918 4.876 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.890 5.224 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.351 3.696 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.529 3.818 0.215 1.00 0.00 H new ATOM 178 N PRO A 139 -0.998 1.197 -3.024 1.00 0.00 N ATOM 179 CA PRO A 139 -1.845 0.583 -4.083 1.00 0.00 C ATOM 180 C PRO A 139 -3.362 0.462 -3.731 1.00 0.00 C ATOM 181 O PRO A 139 -3.810 0.783 -2.623 1.00 0.00 O ATOM 182 CB PRO A 139 -1.133 -0.774 -4.294 1.00 0.00 C ATOM 183 CG PRO A 139 -0.496 -1.121 -2.952 1.00 0.00 C ATOM 184 CD PRO A 139 -0.094 0.231 -2.376 1.00 0.00 C ATOM 0 HA PRO A 139 -1.910 1.193 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.841 -1.544 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.379 -0.703 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.198 -1.641 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 139 0.367 -1.775 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.207 0.249 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.950 0.459 -2.592 1.00 0.00 H new ATOM 192 N LYS A 140 -4.140 -0.019 -4.722 1.00 0.00 N ATOM 193 CA LYS A 140 -5.607 -0.210 -4.621 1.00 0.00 C ATOM 194 C LYS A 140 -5.932 -1.355 -3.620 1.00 0.00 C ATOM 195 O LYS A 140 -5.465 -2.493 -3.744 1.00 0.00 O ATOM 196 CB LYS A 140 -6.208 -0.533 -6.018 1.00 0.00 C ATOM 197 CG LYS A 140 -6.169 0.630 -7.036 1.00 0.00 C ATOM 198 CD LYS A 140 -6.811 0.266 -8.389 1.00 0.00 C ATOM 199 CE LYS A 140 -6.766 1.429 -9.397 1.00 0.00 C ATOM 200 NZ LYS A 140 -7.385 1.055 -10.680 1.00 0.00 N ATOM 0 H LYS A 140 -3.764 -0.291 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.054 0.714 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.670 -1.382 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.244 -0.845 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.686 1.492 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -5.133 0.928 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.295 -0.596 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.847 -0.030 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.283 2.293 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.731 1.727 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.338 1.861 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.875 0.246 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.379 0.794 -10.523 1.00 0.00 H new ATOM 213 N GLY A 141 -6.752 -0.982 -2.639 1.00 0.00 N ATOM 214 CA GLY A 141 -7.081 -1.835 -1.471 1.00 0.00 C ATOM 215 C GLY A 141 -6.779 -1.235 -0.075 1.00 0.00 C ATOM 216 O GLY A 141 -7.437 -1.639 0.888 1.00 0.00 O ATOM 0 H GLY A 141 -7.217 -0.074 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.142 -2.081 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.532 -2.772 -1.566 1.00 0.00 H new ATOM 220 N CYS A 142 -5.834 -0.280 0.056 1.00 0.00 N ATOM 221 CA CYS A 142 -5.639 0.497 1.313 1.00 0.00 C ATOM 222 C CYS A 142 -6.741 1.591 1.452 1.00 0.00 C ATOM 223 O CYS A 142 -7.543 1.523 2.388 1.00 0.00 O ATOM 224 CB CYS A 142 -4.204 1.067 1.383 1.00 0.00 C ATOM 225 SG CYS A 142 -4.062 2.141 2.832 1.00 0.00 S ATOM 0 H CYS A 142 -5.189 -0.023 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.749 -0.167 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.480 0.255 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.978 1.628 0.476 1.00 0.00 H new ATOM 230 N SER A 143 -6.784 2.562 0.520 1.00 0.00 N ATOM 231 CA SER A 143 -7.833 3.612 0.475 1.00 0.00 C ATOM 232 C SER A 143 -8.933 3.173 -0.533 1.00 0.00 C ATOM 233 O SER A 143 -8.795 3.341 -1.750 1.00 0.00 O ATOM 234 CB SER A 143 -7.197 4.980 0.127 1.00 0.00 C ATOM 235 OG SER A 143 -6.552 4.989 -1.144 1.00 0.00 O ATOM 0 H SER A 143 -6.094 2.645 -0.226 1.00 0.00 H new ATOM 0 HA SER A 143 -8.307 3.734 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 143 -7.971 5.748 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 143 -6.472 5.244 0.897 1.00 0.00 H new ATOM 0 HG SER A 143 -7.069 4.448 -1.777 1.00 0.00 H new ATOM 241 N LYS A 144 -10.023 2.592 0.002 1.00 0.00 N ATOM 242 CA LYS A 144 -11.164 2.097 -0.811 1.00 0.00 C ATOM 243 C LYS A 144 -12.231 3.212 -0.887 1.00 0.00 C ATOM 244 O LYS A 144 -12.947 3.547 0.058 1.00 0.00 O ATOM 245 CB LYS A 144 -11.757 0.796 -0.207 1.00 0.00 C ATOM 246 CG LYS A 144 -10.855 -0.454 -0.324 1.00 0.00 C ATOM 247 CD LYS A 144 -11.545 -1.730 0.200 1.00 0.00 C ATOM 248 CE LYS A 144 -10.671 -2.988 0.057 1.00 0.00 C ATOM 249 NZ LYS A 144 -11.370 -4.190 0.547 1.00 0.00 N ATOM 250 OXT LYS A 144 -12.281 3.792 -2.129 1.00 0.00 O ATOM 0 H LYS A 144 -10.143 2.450 1.005 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.819 1.852 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -11.975 0.970 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -12.707 0.586 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.574 -0.599 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.934 -0.287 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -11.804 -1.592 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -12.479 -1.880 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.398 -3.126 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.743 -2.853 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -10.753 -5.020 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -11.608 -4.068 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -12.243 -4.332 -0.001 1.00 0.00 H new TER 264 LYS A 144