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 180:sc= 0.00583 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 48:sc= 0.128 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.937 -3.590 -0.035 1.00 0.00 C HETATM 2 O ACE A 127 -3.638 -3.354 0.952 1.00 0.00 O HETATM 3 CH3 ACE A 127 -3.581 -4.057 -1.340 1.00 0.00 C HETATM 0 H1 ACE A 127 -3.354 -3.344 -2.133 1.00 0.00 H new HETATM 0 H2 ACE A 127 -3.187 -5.037 -1.610 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.661 -4.123 -1.209 1.00 0.00 H new ATOM 7 N LYS A 128 -1.602 -3.459 -0.062 1.00 0.00 N ATOM 8 CA LYS A 128 -0.804 -2.954 1.092 1.00 0.00 C ATOM 9 C LYS A 128 0.045 -1.734 0.629 1.00 0.00 C ATOM 10 O LYS A 128 0.636 -1.744 -0.456 1.00 0.00 O ATOM 11 CB LYS A 128 0.048 -4.086 1.736 1.00 0.00 C ATOM 12 CG LYS A 128 1.199 -4.689 0.892 1.00 0.00 C ATOM 13 CD LYS A 128 1.892 -5.877 1.596 1.00 0.00 C ATOM 14 CE LYS A 128 3.150 -6.423 0.892 1.00 0.00 C ATOM 15 NZ LYS A 128 2.875 -7.050 -0.415 1.00 0.00 N ATOM 0 H LYS A 128 -1.036 -3.696 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.474 -2.615 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.477 -3.699 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.626 -4.897 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 128 0.805 -5.020 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 128 1.937 -3.914 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 128 2.166 -5.569 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.171 -6.689 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 128 3.859 -5.607 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.630 -7.155 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.765 -7.394 -0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.222 -7.849 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.444 -6.350 -1.052 1.00 0.00 H new ATOM 28 N CYS A 129 0.120 -0.701 1.493 1.00 0.00 N ATOM 29 CA CYS A 129 0.778 0.605 1.192 1.00 0.00 C ATOM 30 C CYS A 129 2.232 0.515 0.641 1.00 0.00 C ATOM 31 O CYS A 129 2.482 0.989 -0.471 1.00 0.00 O ATOM 32 CB CYS A 129 0.662 1.496 2.450 1.00 0.00 C ATOM 33 SG CYS A 129 -1.003 2.195 2.592 1.00 0.00 S ATOM 0 H CYS A 129 -0.276 -0.742 2.432 1.00 0.00 H new ATOM 0 HA CYS A 129 0.248 1.057 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.892 0.909 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 129 1.396 2.300 2.400 1.00 0.00 H new ATOM 38 N THR A 130 3.147 -0.125 1.387 1.00 0.00 N ATOM 39 CA THR A 130 4.513 -0.445 0.897 1.00 0.00 C ATOM 40 C THR A 130 4.479 -1.920 0.392 1.00 0.00 C ATOM 41 O THR A 130 4.460 -2.869 1.183 1.00 0.00 O ATOM 42 CB THR A 130 5.595 -0.120 1.974 1.00 0.00 C ATOM 43 OG1 THR A 130 6.880 -0.381 1.419 1.00 0.00 O ATOM 44 CG2 THR A 130 5.510 -0.870 3.319 1.00 0.00 C ATOM 0 H THR A 130 2.970 -0.437 2.342 1.00 0.00 H new ATOM 0 HA THR A 130 4.812 0.184 0.059 1.00 0.00 H new ATOM 0 HB THR A 130 5.411 0.926 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.571 -0.180 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.323 -0.545 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 130 4.555 -0.653 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.592 -1.943 3.143 1.00 0.00 H new ATOM 52 N SER A 131 4.447 -2.093 -0.944 1.00 0.00 N ATOM 53 CA SER A 131 4.418 -3.436 -1.592 1.00 0.00 C ATOM 54 C SER A 131 5.842 -4.069 -1.570 1.00 0.00 C ATOM 55 O SER A 131 6.057 -5.030 -0.827 1.00 0.00 O ATOM 56 CB SER A 131 3.795 -3.325 -3.005 1.00 0.00 C ATOM 57 OG SER A 131 2.435 -2.909 -2.934 1.00 0.00 O ATOM 0 H SER A 131 4.440 -1.318 -1.607 1.00 0.00 H new ATOM 0 HA SER A 131 3.778 -4.118 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.365 -2.614 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.858 -4.289 -3.510 1.00 0.00 H new ATOM 0 HG SER A 131 2.065 -2.845 -3.839 1.00 0.00 H new ATOM 63 N ASP A 132 6.802 -3.509 -2.333 1.00 0.00 N ATOM 64 CA ASP A 132 8.245 -3.859 -2.225 1.00 0.00 C ATOM 65 C ASP A 132 8.880 -2.711 -1.382 1.00 0.00 C ATOM 66 O ASP A 132 9.101 -2.903 -0.182 1.00 0.00 O ATOM 67 CB ASP A 132 8.879 -4.085 -3.627 1.00 0.00 C ATOM 68 CG ASP A 132 8.418 -5.364 -4.341 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.953 -6.460 -4.181 1.00 0.00 O ATOM 70 OD2 ASP A 132 7.345 -5.140 -5.166 1.00 0.00 O ATOM 0 H ASP A 132 6.606 -2.802 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 132 8.423 -4.811 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.645 -3.228 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.963 -4.116 -3.520 1.00 0.00 H new ATOM 76 N GLN A 133 9.125 -1.527 -1.982 1.00 0.00 N ATOM 77 CA GLN A 133 9.479 -0.292 -1.239 1.00 0.00 C ATOM 78 C GLN A 133 8.693 0.843 -1.955 1.00 0.00 C ATOM 79 O GLN A 133 9.201 1.467 -2.894 1.00 0.00 O ATOM 80 CB GLN A 133 11.018 -0.089 -1.201 1.00 0.00 C ATOM 81 CG GLN A 133 11.460 1.087 -0.298 1.00 0.00 C ATOM 82 CD GLN A 133 12.985 1.261 -0.234 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.673 0.591 0.537 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.545 2.159 -1.031 1.00 0.00 N ATOM 0 H GLN A 133 9.084 -1.397 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 133 9.201 -0.324 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.489 -1.006 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.379 0.085 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.011 2.009 -0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.076 0.927 0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.966 2.709 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.555 2.301 -1.010 1.00 0.00 H new ATOM 93 N ASP A 134 7.437 1.074 -1.519 1.00 0.00 N ATOM 94 CA ASP A 134 6.532 2.076 -2.148 1.00 0.00 C ATOM 95 C ASP A 134 6.016 3.025 -1.031 1.00 0.00 C ATOM 96 O ASP A 134 4.897 2.888 -0.527 1.00 0.00 O ATOM 97 CB ASP A 134 5.379 1.367 -2.919 1.00 0.00 C ATOM 98 CG ASP A 134 5.813 0.630 -4.195 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.808 1.150 -5.310 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.203 -0.661 -3.945 1.00 0.00 O ATOM 0 H ASP A 134 7.019 0.581 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 134 7.066 2.670 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.899 0.653 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.627 2.111 -3.184 1.00 0.00 H new ATOM 106 N GLU A 135 6.851 4.015 -0.663 1.00 0.00 N ATOM 107 CA GLU A 135 6.515 5.019 0.391 1.00 0.00 C ATOM 108 C GLU A 135 5.570 6.133 -0.156 1.00 0.00 C ATOM 109 O GLU A 135 4.506 6.352 0.429 1.00 0.00 O ATOM 110 CB GLU A 135 7.817 5.612 1.000 1.00 0.00 C ATOM 111 CG GLU A 135 8.659 4.598 1.810 1.00 0.00 C ATOM 112 CD GLU A 135 9.956 5.199 2.355 1.00 0.00 C ATOM 113 OE1 GLU A 135 11.040 5.106 1.779 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.767 5.845 3.551 1.00 0.00 O ATOM 0 H GLU A 135 7.773 4.150 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 135 5.969 4.512 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.431 6.015 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.553 6.448 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 135 8.063 4.220 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.899 3.744 1.176 1.00 0.00 H new ATOM 122 N GLN A 136 5.928 6.801 -1.276 1.00 0.00 N ATOM 123 CA GLN A 136 5.037 7.780 -1.963 1.00 0.00 C ATOM 124 C GLN A 136 3.818 7.156 -2.732 1.00 0.00 C ATOM 125 O GLN A 136 2.825 7.863 -2.927 1.00 0.00 O ATOM 126 CB GLN A 136 5.945 8.626 -2.903 1.00 0.00 C ATOM 127 CG GLN A 136 5.300 9.913 -3.468 1.00 0.00 C ATOM 128 CD GLN A 136 6.267 10.750 -4.321 1.00 0.00 C ATOM 129 OE1 GLN A 136 7.032 11.564 -3.806 1.00 0.00 O ATOM 130 NE2 GLN A 136 6.254 10.573 -5.635 1.00 0.00 N ATOM 0 H GLN A 136 6.833 6.682 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 136 4.551 8.393 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.847 8.902 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.257 8.000 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 136 4.434 9.643 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 136 4.935 10.522 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 136 5.616 9.895 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 136 6.882 11.114 -6.229 1.00 0.00 H new ATOM 139 N PHE A 137 3.872 5.868 -3.138 1.00 0.00 N ATOM 140 CA PHE A 137 2.768 5.184 -3.857 1.00 0.00 C ATOM 141 C PHE A 137 2.062 4.206 -2.877 1.00 0.00 C ATOM 142 O PHE A 137 2.706 3.394 -2.207 1.00 0.00 O ATOM 143 CB PHE A 137 3.346 4.445 -5.104 1.00 0.00 C ATOM 144 CG PHE A 137 2.314 3.615 -5.904 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.360 4.246 -6.710 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.262 2.224 -5.744 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.365 3.499 -7.337 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.269 1.480 -6.375 1.00 0.00 C ATOM 149 CZ PHE A 137 0.320 2.118 -7.168 1.00 0.00 C ATOM 0 H PHE A 137 4.683 5.270 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 137 2.029 5.903 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.793 5.182 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.148 3.783 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.395 5.317 -6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.996 1.726 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.372 3.992 -7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.235 0.408 -6.249 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.453 1.541 -7.653 1.00 0.00 H new ATOM 159 N ILE A 138 0.720 4.271 -2.854 1.00 0.00 N ATOM 160 CA ILE A 138 -0.125 3.298 -2.107 1.00 0.00 C ATOM 161 C ILE A 138 -1.129 2.688 -3.157 1.00 0.00 C ATOM 162 O ILE A 138 -1.807 3.463 -3.845 1.00 0.00 O ATOM 163 CB ILE A 138 -0.792 3.886 -0.811 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.843 5.020 -1.025 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.295 4.379 0.182 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.296 4.531 -1.106 1.00 0.00 C ATOM 0 H ILE A 138 0.186 4.988 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 138 0.488 2.504 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.358 3.046 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.758 5.736 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.601 5.555 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.184 4.783 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.938 3.544 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.895 5.156 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.959 5.383 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.401 3.839 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.561 4.023 -0.179 1.00 0.00 H new ATOM 178 N PRO A 139 -1.271 1.340 -3.333 1.00 0.00 N ATOM 179 CA PRO A 139 -2.180 0.739 -4.347 1.00 0.00 C ATOM 180 C PRO A 139 -3.687 0.735 -3.939 1.00 0.00 C ATOM 181 O PRO A 139 -4.067 1.139 -2.833 1.00 0.00 O ATOM 182 CB PRO A 139 -1.570 -0.675 -4.490 1.00 0.00 C ATOM 183 CG PRO A 139 -1.010 -1.012 -3.110 1.00 0.00 C ATOM 184 CD PRO A 139 -0.499 0.329 -2.590 1.00 0.00 C ATOM 0 HA PRO A 139 -2.224 1.302 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.324 -1.400 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.786 -0.691 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.777 -1.429 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.209 -1.749 -3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.656 0.422 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.571 0.440 -2.766 1.00 0.00 H new ATOM 192 N LYS A 140 -4.536 0.250 -4.867 1.00 0.00 N ATOM 193 CA LYS A 140 -5.996 0.104 -4.652 1.00 0.00 C ATOM 194 C LYS A 140 -6.238 -1.107 -3.704 1.00 0.00 C ATOM 195 O LYS A 140 -5.983 -2.266 -4.049 1.00 0.00 O ATOM 196 CB LYS A 140 -6.696 -0.046 -6.029 1.00 0.00 C ATOM 197 CG LYS A 140 -8.235 0.067 -5.970 1.00 0.00 C ATOM 198 CD LYS A 140 -8.902 -0.045 -7.354 1.00 0.00 C ATOM 199 CE LYS A 140 -10.435 0.082 -7.281 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.049 -0.026 -8.616 1.00 0.00 N ATOM 0 H LYS A 140 -4.230 -0.054 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.425 0.984 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.312 0.718 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.430 -1.013 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.626 -0.716 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.506 1.021 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.507 0.732 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.641 -1.003 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.835 -0.696 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.701 1.039 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.082 0.064 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.685 0.732 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.815 -0.950 -9.032 1.00 0.00 H new ATOM 213 N GLY A 141 -6.726 -0.773 -2.506 1.00 0.00 N ATOM 214 CA GLY A 141 -6.881 -1.738 -1.389 1.00 0.00 C ATOM 215 C GLY A 141 -6.210 -1.372 -0.041 1.00 0.00 C ATOM 216 O GLY A 141 -6.632 -1.930 0.977 1.00 0.00 O ATOM 0 H GLY A 141 -7.028 0.173 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.947 -1.879 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.483 -2.699 -1.715 1.00 0.00 H new ATOM 220 N CYS A 142 -5.207 -0.467 0.004 1.00 0.00 N ATOM 221 CA CYS A 142 -4.625 0.032 1.283 1.00 0.00 C ATOM 222 C CYS A 142 -5.548 1.144 1.866 1.00 0.00 C ATOM 223 O CYS A 142 -6.281 0.887 2.825 1.00 0.00 O ATOM 224 CB CYS A 142 -3.149 0.453 1.085 1.00 0.00 C ATOM 225 SG CYS A 142 -2.424 0.785 2.709 1.00 0.00 S ATOM 0 H CYS A 142 -4.779 -0.063 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.590 -0.762 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.595 -0.336 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.089 1.340 0.455 1.00 0.00 H new ATOM 230 N SER A 143 -5.528 2.345 1.264 1.00 0.00 N ATOM 231 CA SER A 143 -6.492 3.440 1.565 1.00 0.00 C ATOM 232 C SER A 143 -6.845 4.155 0.223 1.00 0.00 C ATOM 233 O SER A 143 -6.475 5.311 -0.010 1.00 0.00 O ATOM 234 CB SER A 143 -5.918 4.379 2.658 1.00 0.00 C ATOM 235 OG SER A 143 -4.681 4.975 2.277 1.00 0.00 O ATOM 0 H SER A 143 -4.843 2.594 0.550 1.00 0.00 H new ATOM 0 HA SER A 143 -7.421 3.054 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.643 5.164 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.776 3.813 3.579 1.00 0.00 H new ATOM 0 HG SER A 143 -4.761 5.345 1.373 1.00 0.00 H new ATOM 241 N LYS A 144 -7.562 3.435 -0.668 1.00 0.00 N ATOM 242 CA LYS A 144 -7.868 3.898 -2.046 1.00 0.00 C ATOM 243 C LYS A 144 -9.020 3.003 -2.553 1.00 0.00 C ATOM 244 O LYS A 144 -8.887 1.816 -2.859 1.00 0.00 O ATOM 245 CB LYS A 144 -6.593 3.820 -2.935 1.00 0.00 C ATOM 246 CG LYS A 144 -6.747 4.211 -4.420 1.00 0.00 C ATOM 247 CD LYS A 144 -5.400 4.163 -5.168 1.00 0.00 C ATOM 248 CE LYS A 144 -5.533 4.443 -6.674 1.00 0.00 C ATOM 249 NZ LYS A 144 -4.225 4.361 -7.349 1.00 0.00 N ATOM 250 OXT LYS A 144 -10.208 3.684 -2.627 1.00 0.00 O ATOM 0 H LYS A 144 -7.947 2.515 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 144 -8.178 4.943 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -5.832 4.463 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.212 2.800 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -7.454 3.536 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -7.166 5.215 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.721 4.893 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.948 3.181 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.221 3.725 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.962 5.433 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.345 4.554 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -3.577 5.063 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.828 3.408 -7.223 1.00 0.00 H new TER 264 LYS A 144