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 Set 1.1: A 140 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.36) USER MOD Set 1.2: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 28:sc= 0.231 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 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -3.053 -3.203 3.096 1.00 0.00 C HETATM 2 O ACE A 127 -2.067 -3.091 3.829 1.00 0.00 O HETATM 3 CH3 ACE A 127 -4.458 -3.223 3.697 1.00 0.00 C HETATM 0 H1 ACE A 127 -5.038 -2.392 3.295 1.00 0.00 H new HETATM 0 H2 ACE A 127 -4.948 -4.163 3.445 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.392 -3.128 4.781 1.00 0.00 H new ATOM 7 N LYS A 128 -2.986 -3.298 1.758 1.00 0.00 N ATOM 8 CA LYS A 128 -1.696 -3.308 1.013 1.00 0.00 C ATOM 9 C LYS A 128 -1.326 -1.850 0.629 1.00 0.00 C ATOM 10 O LYS A 128 -1.957 -1.243 -0.241 1.00 0.00 O ATOM 11 CB LYS A 128 -1.792 -4.192 -0.258 1.00 0.00 C ATOM 12 CG LYS A 128 -1.917 -5.707 0.021 1.00 0.00 C ATOM 13 CD LYS A 128 -1.984 -6.554 -1.268 1.00 0.00 C ATOM 14 CE LYS A 128 -2.148 -8.070 -1.040 1.00 0.00 C ATOM 15 NZ LYS A 128 -0.941 -8.712 -0.483 1.00 0.00 N ATOM 0 H LYS A 128 -3.809 -3.370 1.159 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.920 -3.731 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.654 -3.871 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.908 -4.020 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.066 -6.032 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -2.812 -5.889 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.817 -6.200 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.075 -6.384 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.986 -8.240 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -2.401 -8.547 -1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.117 -9.729 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.144 -8.579 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.711 -8.281 0.435 1.00 0.00 H new ATOM 28 N CYS A 129 -0.300 -1.318 1.310 1.00 0.00 N ATOM 29 CA CYS A 129 0.201 0.072 1.114 1.00 0.00 C ATOM 30 C CYS A 129 1.583 0.092 0.402 1.00 0.00 C ATOM 31 O CYS A 129 1.719 0.722 -0.649 1.00 0.00 O ATOM 32 CB CYS A 129 0.202 0.801 2.474 1.00 0.00 C ATOM 33 SG CYS A 129 -1.480 0.896 3.128 1.00 0.00 S ATOM 0 H CYS A 129 0.217 -1.836 2.021 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.467 0.612 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.845 0.273 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.613 1.804 2.358 1.00 0.00 H new ATOM 38 N THR A 130 2.595 -0.595 0.963 1.00 0.00 N ATOM 39 CA THR A 130 3.926 -0.768 0.317 1.00 0.00 C ATOM 40 C THR A 130 3.861 -2.055 -0.558 1.00 0.00 C ATOM 41 O THR A 130 3.692 -3.164 -0.037 1.00 0.00 O ATOM 42 CB THR A 130 5.092 -0.850 1.352 1.00 0.00 C ATOM 43 OG1 THR A 130 4.857 -1.872 2.318 1.00 0.00 O ATOM 44 CG2 THR A 130 5.346 0.465 2.109 1.00 0.00 C ATOM 0 H THR A 130 2.522 -1.048 1.874 1.00 0.00 H new ATOM 0 HA THR A 130 4.142 0.107 -0.296 1.00 0.00 H new ATOM 0 HB THR A 130 5.974 -1.075 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.294 -2.571 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.170 0.328 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 130 5.601 1.251 1.398 1.00 0.00 H new ATOM 0 HG23 THR A 130 4.448 0.749 2.657 1.00 0.00 H new ATOM 52 N SER A 131 3.997 -1.896 -1.889 1.00 0.00 N ATOM 53 CA SER A 131 4.008 -3.042 -2.848 1.00 0.00 C ATOM 54 C SER A 131 5.323 -3.872 -2.700 1.00 0.00 C ATOM 55 O SER A 131 5.259 -5.030 -2.278 1.00 0.00 O ATOM 56 CB SER A 131 3.763 -2.524 -4.287 1.00 0.00 C ATOM 57 OG SER A 131 2.484 -1.911 -4.407 1.00 0.00 O ATOM 0 H SER A 131 4.102 -0.985 -2.336 1.00 0.00 H new ATOM 0 HA SER A 131 3.194 -3.728 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.539 -1.806 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.839 -3.352 -4.991 1.00 0.00 H new ATOM 0 HG SER A 131 2.359 -1.593 -5.325 1.00 0.00 H new ATOM 63 N ASP A 132 6.489 -3.267 -2.997 1.00 0.00 N ATOM 64 CA ASP A 132 7.824 -3.828 -2.651 1.00 0.00 C ATOM 65 C ASP A 132 8.340 -2.914 -1.497 1.00 0.00 C ATOM 66 O ASP A 132 8.222 -3.299 -0.330 1.00 0.00 O ATOM 67 CB ASP A 132 8.746 -3.922 -3.900 1.00 0.00 C ATOM 68 CG ASP A 132 8.340 -5.002 -4.914 1.00 0.00 C ATOM 69 OD1 ASP A 132 8.716 -6.172 -4.845 1.00 0.00 O ATOM 70 OD2 ASP A 132 7.513 -4.511 -5.892 1.00 0.00 O ATOM 0 H ASP A 132 6.540 -2.373 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 132 7.793 -4.863 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.755 -2.955 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.766 -4.118 -3.569 1.00 0.00 H new ATOM 76 N GLN A 133 8.853 -1.705 -1.811 1.00 0.00 N ATOM 77 CA GLN A 133 9.117 -0.641 -0.810 1.00 0.00 C ATOM 78 C GLN A 133 8.595 0.660 -1.486 1.00 0.00 C ATOM 79 O GLN A 133 9.343 1.351 -2.186 1.00 0.00 O ATOM 80 CB GLN A 133 10.620 -0.614 -0.419 1.00 0.00 C ATOM 81 CG GLN A 133 10.939 0.367 0.731 1.00 0.00 C ATOM 82 CD GLN A 133 12.422 0.361 1.136 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.867 -0.478 1.918 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.214 1.291 0.622 1.00 0.00 N ATOM 0 H GLN A 133 9.097 -1.436 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 133 8.611 -0.793 0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.929 -1.617 -0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.210 -0.341 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.655 1.375 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.331 0.111 1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.835 1.982 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.202 1.316 0.874 1.00 0.00 H new ATOM 93 N ASP A 134 7.292 0.954 -1.296 1.00 0.00 N ATOM 94 CA ASP A 134 6.607 2.083 -1.986 1.00 0.00 C ATOM 95 C ASP A 134 5.918 2.975 -0.920 1.00 0.00 C ATOM 96 O ASP A 134 4.729 2.824 -0.617 1.00 0.00 O ATOM 97 CB ASP A 134 5.598 1.533 -3.036 1.00 0.00 C ATOM 98 CG ASP A 134 6.238 0.985 -4.321 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.316 1.634 -5.363 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.702 -0.296 -4.171 1.00 0.00 O ATOM 0 H ASP A 134 6.685 0.426 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 134 7.328 2.694 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 134 5.010 0.740 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.904 2.330 -3.304 1.00 0.00 H new ATOM 106 N GLU A 135 6.684 3.936 -0.370 1.00 0.00 N ATOM 107 CA GLU A 135 6.171 4.912 0.638 1.00 0.00 C ATOM 108 C GLU A 135 5.269 6.007 -0.012 1.00 0.00 C ATOM 109 O GLU A 135 4.143 6.205 0.454 1.00 0.00 O ATOM 110 CB GLU A 135 7.353 5.545 1.427 1.00 0.00 C ATOM 111 CG GLU A 135 8.112 4.551 2.337 1.00 0.00 C ATOM 112 CD GLU A 135 9.277 5.202 3.086 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.436 5.196 2.672 1.00 0.00 O ATOM 114 OE2 GLU A 135 8.877 5.786 4.261 1.00 0.00 O ATOM 0 H GLU A 135 7.669 4.066 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 135 5.541 4.365 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.057 5.981 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.971 6.362 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.416 4.123 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.490 3.728 1.731 1.00 0.00 H new ATOM 122 N GLN A 136 5.735 6.685 -1.085 1.00 0.00 N ATOM 123 CA GLN A 136 4.912 7.667 -1.853 1.00 0.00 C ATOM 124 C GLN A 136 3.789 7.053 -2.759 1.00 0.00 C ATOM 125 O GLN A 136 2.844 7.779 -3.081 1.00 0.00 O ATOM 126 CB GLN A 136 5.851 8.552 -2.721 1.00 0.00 C ATOM 127 CG GLN A 136 6.782 9.503 -1.930 1.00 0.00 C ATOM 128 CD GLN A 136 7.680 10.360 -2.838 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.739 9.921 -3.286 1.00 0.00 O ATOM 130 NE2 GLN A 136 7.284 11.591 -3.126 1.00 0.00 N ATOM 0 H GLN A 136 6.682 6.574 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 136 4.381 8.248 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.467 7.900 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.238 9.149 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.176 10.159 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.409 8.914 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.405 11.945 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.858 12.185 -3.724 1.00 0.00 H new ATOM 139 N PHE A 137 3.869 5.763 -3.152 1.00 0.00 N ATOM 140 CA PHE A 137 2.833 5.089 -3.976 1.00 0.00 C ATOM 141 C PHE A 137 2.058 4.102 -3.059 1.00 0.00 C ATOM 142 O PHE A 137 2.637 3.181 -2.474 1.00 0.00 O ATOM 143 CB PHE A 137 3.502 4.384 -5.198 1.00 0.00 C ATOM 144 CG PHE A 137 2.562 3.476 -6.025 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.618 4.031 -6.897 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.572 2.089 -5.819 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.693 3.213 -7.543 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.645 1.275 -6.466 1.00 0.00 C ATOM 149 CZ PHE A 137 0.706 1.838 -7.326 1.00 0.00 C ATOM 0 H PHE A 137 4.652 5.157 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 137 2.122 5.806 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.917 5.147 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.338 3.784 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.607 5.097 -7.070 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.302 1.650 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.035 3.646 -8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.655 0.208 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.014 1.207 -7.826 1.00 0.00 H new ATOM 159 N ILE A 138 0.729 4.286 -3.004 1.00 0.00 N ATOM 160 CA ILE A 138 -0.193 3.351 -2.302 1.00 0.00 C ATOM 161 C ILE A 138 -1.189 2.791 -3.383 1.00 0.00 C ATOM 162 O ILE A 138 -1.843 3.597 -4.057 1.00 0.00 O ATOM 163 CB ILE A 138 -0.898 3.967 -1.042 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.782 5.231 -1.296 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.148 4.269 0.063 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.285 4.944 -1.444 1.00 0.00 C ATOM 0 H ILE A 138 0.257 5.079 -3.439 1.00 0.00 H new ATOM 0 HA ILE A 138 0.378 2.532 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.601 3.197 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.639 5.930 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.430 5.728 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.353 4.696 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.650 3.345 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.884 4.978 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.819 5.879 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.446 4.273 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.658 4.477 -0.532 1.00 0.00 H new ATOM 178 N PRO A 139 -1.351 1.451 -3.596 1.00 0.00 N ATOM 179 CA PRO A 139 -2.293 0.888 -4.601 1.00 0.00 C ATOM 180 C PRO A 139 -3.783 0.855 -4.124 1.00 0.00 C ATOM 181 O PRO A 139 -4.131 1.317 -3.031 1.00 0.00 O ATOM 182 CB PRO A 139 -1.660 -0.506 -4.833 1.00 0.00 C ATOM 183 CG PRO A 139 -1.062 -0.909 -3.487 1.00 0.00 C ATOM 184 CD PRO A 139 -0.562 0.412 -2.910 1.00 0.00 C ATOM 0 HA PRO A 139 -2.391 1.482 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.408 -1.227 -5.162 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.894 -0.466 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.806 -1.374 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.251 -1.627 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.710 0.452 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.505 0.543 -3.091 1.00 0.00 H new ATOM 192 N LYS A 140 -4.655 0.284 -4.979 1.00 0.00 N ATOM 193 CA LYS A 140 -6.096 0.078 -4.680 1.00 0.00 C ATOM 194 C LYS A 140 -6.224 -1.087 -3.655 1.00 0.00 C ATOM 195 O LYS A 140 -5.967 -2.257 -3.962 1.00 0.00 O ATOM 196 CB LYS A 140 -6.883 -0.234 -5.983 1.00 0.00 C ATOM 197 CG LYS A 140 -7.056 0.968 -6.942 1.00 0.00 C ATOM 198 CD LYS A 140 -7.680 0.649 -8.320 1.00 0.00 C ATOM 199 CE LYS A 140 -9.176 0.266 -8.342 1.00 0.00 C ATOM 200 NZ LYS A 140 -9.424 -1.151 -8.017 1.00 0.00 N ATOM 0 H LYS A 140 -4.383 -0.051 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.523 0.986 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.371 -1.035 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.870 -0.610 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.677 1.715 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.078 1.422 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.544 1.519 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.115 -0.169 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.714 0.893 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.584 0.481 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.316 -1.457 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -8.643 -1.733 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.488 -1.264 -6.985 1.00 0.00 H new ATOM 213 N GLY A 141 -6.613 -0.704 -2.435 1.00 0.00 N ATOM 214 CA GLY A 141 -6.638 -1.610 -1.258 1.00 0.00 C ATOM 215 C GLY A 141 -5.822 -1.185 -0.007 1.00 0.00 C ATOM 216 O GLY A 141 -5.850 -1.933 0.973 1.00 0.00 O ATOM 0 H GLY A 141 -6.923 0.245 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.677 -1.738 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.277 -2.587 -1.578 1.00 0.00 H new ATOM 220 N CYS A 142 -5.141 -0.018 0.004 1.00 0.00 N ATOM 221 CA CYS A 142 -4.434 0.516 1.204 1.00 0.00 C ATOM 222 C CYS A 142 -5.448 1.038 2.264 1.00 0.00 C ATOM 223 O CYS A 142 -5.618 0.400 3.307 1.00 0.00 O ATOM 224 CB CYS A 142 -3.409 1.577 0.738 1.00 0.00 C ATOM 225 SG CYS A 142 -2.528 2.292 2.144 1.00 0.00 S ATOM 0 H CYS A 142 -5.062 0.585 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.882 -0.275 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.696 1.121 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.922 2.365 0.187 1.00 0.00 H new ATOM 230 N SER A 143 -6.123 2.164 1.974 1.00 0.00 N ATOM 231 CA SER A 143 -7.232 2.701 2.804 1.00 0.00 C ATOM 232 C SER A 143 -8.500 2.641 1.910 1.00 0.00 C ATOM 233 O SER A 143 -8.773 3.558 1.127 1.00 0.00 O ATOM 234 CB SER A 143 -6.901 4.131 3.290 1.00 0.00 C ATOM 235 OG SER A 143 -5.797 4.121 4.189 1.00 0.00 O ATOM 0 H SER A 143 -5.918 2.735 1.154 1.00 0.00 H new ATOM 0 HA SER A 143 -7.391 2.120 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.672 4.766 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 143 -7.772 4.562 3.783 1.00 0.00 H new ATOM 0 HG SER A 143 -5.605 5.036 4.482 1.00 0.00 H new ATOM 241 N LYS A 144 -9.239 1.518 2.008 1.00 0.00 N ATOM 242 CA LYS A 144 -10.403 1.236 1.130 1.00 0.00 C ATOM 243 C LYS A 144 -11.461 0.480 1.963 1.00 0.00 C ATOM 244 O LYS A 144 -12.540 0.980 2.282 1.00 0.00 O ATOM 245 CB LYS A 144 -9.917 0.465 -0.132 1.00 0.00 C ATOM 246 CG LYS A 144 -10.979 0.277 -1.235 1.00 0.00 C ATOM 247 CD LYS A 144 -10.412 -0.438 -2.478 1.00 0.00 C ATOM 248 CE LYS A 144 -11.464 -0.638 -3.582 1.00 0.00 C ATOM 249 NZ LYS A 144 -10.890 -1.334 -4.747 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.075 -0.796 2.304 1.00 0.00 O ATOM 0 H LYS A 144 -9.052 0.784 2.691 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.874 2.148 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.065 0.996 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.559 -0.517 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.815 -0.299 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -11.373 1.251 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -9.579 0.142 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.013 -1.408 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -12.302 -1.213 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -11.858 0.330 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -11.623 -1.455 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -10.105 -0.772 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -10.536 -2.267 -4.454 1.00 0.00 H new TER 264 LYS A 144