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 Set 1.1: A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 31:sc= 0.163 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 43:sc= 0.279 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -4.439 -4.761 2.216 1.00 0.00 C HETATM 2 O ACE A 127 -4.713 -3.830 2.978 1.00 0.00 O HETATM 3 CH3 ACE A 127 -5.548 -5.613 1.603 1.00 0.00 C HETATM 0 H1 ACE A 127 -5.503 -5.542 0.516 1.00 0.00 H new HETATM 0 H2 ACE A 127 -5.417 -6.652 1.904 1.00 0.00 H new HETATM 0 H3 ACE A 127 -6.517 -5.254 1.950 1.00 0.00 H new ATOM 7 N LYS A 128 -3.191 -5.097 1.855 1.00 0.00 N ATOM 8 CA LYS A 128 -1.981 -4.391 2.360 1.00 0.00 C ATOM 9 C LYS A 128 -1.662 -3.101 1.543 1.00 0.00 C ATOM 10 O LYS A 128 -1.995 -2.985 0.358 1.00 0.00 O ATOM 11 CB LYS A 128 -0.766 -5.369 2.391 1.00 0.00 C ATOM 12 CG LYS A 128 -0.252 -5.910 1.031 1.00 0.00 C ATOM 13 CD LYS A 128 0.983 -6.820 1.175 1.00 0.00 C ATOM 14 CE LYS A 128 1.474 -7.370 -0.176 1.00 0.00 C ATOM 15 NZ LYS A 128 2.668 -8.217 -0.013 1.00 0.00 N ATOM 0 H LYS A 128 -2.982 -5.859 1.210 1.00 0.00 H new ATOM 0 HA LYS A 128 -2.187 -4.060 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.062 -4.862 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.036 -6.222 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.052 -6.466 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.004 -5.070 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.789 -6.260 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 128 0.741 -7.653 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.678 -7.948 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.703 -6.541 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.972 -8.571 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.435 -7.658 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.441 -9.021 0.606 1.00 0.00 H new ATOM 28 N CYS A 129 -0.979 -2.149 2.205 1.00 0.00 N ATOM 29 CA CYS A 129 -0.536 -0.880 1.569 1.00 0.00 C ATOM 30 C CYS A 129 0.904 -1.010 0.999 1.00 0.00 C ATOM 31 O CYS A 129 1.084 -0.963 -0.221 1.00 0.00 O ATOM 32 CB CYS A 129 -0.724 0.293 2.559 1.00 0.00 C ATOM 33 SG CYS A 129 -0.883 1.819 1.620 1.00 0.00 S ATOM 0 H CYS A 129 -0.717 -2.230 3.188 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.162 -0.660 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.611 0.132 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.126 0.354 3.239 1.00 0.00 H new ATOM 38 N THR A 130 1.909 -1.201 1.872 1.00 0.00 N ATOM 39 CA THR A 130 3.329 -1.375 1.463 1.00 0.00 C ATOM 40 C THR A 130 3.610 -2.887 1.224 1.00 0.00 C ATOM 41 O THR A 130 3.495 -3.708 2.142 1.00 0.00 O ATOM 42 CB THR A 130 4.326 -0.787 2.511 1.00 0.00 C ATOM 43 OG1 THR A 130 4.114 -1.350 3.804 1.00 0.00 O ATOM 44 CG2 THR A 130 4.252 0.744 2.644 1.00 0.00 C ATOM 0 H THR A 130 1.768 -1.240 2.881 1.00 0.00 H new ATOM 0 HA THR A 130 3.487 -0.818 0.539 1.00 0.00 H new ATOM 0 HB THR A 130 5.313 -1.051 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 130 3.783 -2.268 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 130 4.973 1.080 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 130 4.483 1.204 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 130 3.248 1.034 2.953 1.00 0.00 H new ATOM 52 N SER A 131 3.993 -3.234 -0.019 1.00 0.00 N ATOM 53 CA SER A 131 4.412 -4.616 -0.381 1.00 0.00 C ATOM 54 C SER A 131 5.872 -4.866 0.109 1.00 0.00 C ATOM 55 O SER A 131 6.059 -5.657 1.038 1.00 0.00 O ATOM 56 CB SER A 131 4.193 -4.827 -1.899 1.00 0.00 C ATOM 57 OG SER A 131 4.486 -6.170 -2.265 1.00 0.00 O ATOM 0 H SER A 131 4.023 -2.577 -0.799 1.00 0.00 H new ATOM 0 HA SER A 131 3.803 -5.367 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.161 -4.590 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.829 -4.144 -2.462 1.00 0.00 H new ATOM 0 HG SER A 131 4.341 -6.286 -3.227 1.00 0.00 H new ATOM 63 N ASP A 132 6.875 -4.174 -0.474 1.00 0.00 N ATOM 64 CA ASP A 132 8.269 -4.161 0.040 1.00 0.00 C ATOM 65 C ASP A 132 8.430 -2.825 0.832 1.00 0.00 C ATOM 66 O ASP A 132 8.352 -2.849 2.064 1.00 0.00 O ATOM 67 CB ASP A 132 9.253 -4.403 -1.141 1.00 0.00 C ATOM 68 CG ASP A 132 10.720 -4.552 -0.717 1.00 0.00 C ATOM 69 OD1 ASP A 132 11.215 -5.618 -0.353 1.00 0.00 O ATOM 70 OD2 ASP A 132 11.406 -3.366 -0.790 1.00 0.00 O ATOM 0 H ASP A 132 6.745 -3.608 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 132 8.505 -4.966 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 132 8.948 -5.303 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 132 9.172 -3.573 -1.843 1.00 0.00 H new ATOM 76 N GLN A 133 8.631 -1.681 0.143 1.00 0.00 N ATOM 77 CA GLN A 133 8.665 -0.338 0.773 1.00 0.00 C ATOM 78 C GLN A 133 8.087 0.636 -0.290 1.00 0.00 C ATOM 79 O GLN A 133 8.817 1.118 -1.164 1.00 0.00 O ATOM 80 CB GLN A 133 10.108 0.013 1.236 1.00 0.00 C ATOM 81 CG GLN A 133 10.207 1.347 2.011 1.00 0.00 C ATOM 82 CD GLN A 133 11.624 1.649 2.524 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.012 1.227 3.613 1.00 0.00 O ATOM 84 NE2 GLN A 133 12.422 2.383 1.762 1.00 0.00 N ATOM 0 H GLN A 133 8.775 -1.660 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 133 8.068 -0.279 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.483 -0.792 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.758 0.062 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.882 2.161 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.520 1.319 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.091 2.728 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.367 2.603 2.077 1.00 0.00 H new ATOM 93 N ASP A 134 6.769 0.907 -0.209 1.00 0.00 N ATOM 94 CA ASP A 134 6.064 1.798 -1.176 1.00 0.00 C ATOM 95 C ASP A 134 5.593 3.074 -0.418 1.00 0.00 C ATOM 96 O ASP A 134 4.419 3.219 -0.062 1.00 0.00 O ATOM 97 CB ASP A 134 4.889 1.038 -1.860 1.00 0.00 C ATOM 98 CG ASP A 134 5.306 -0.138 -2.757 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.444 -1.289 -2.345 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.506 0.248 -4.058 1.00 0.00 O ATOM 0 H ASP A 134 6.162 0.524 0.516 1.00 0.00 H new ATOM 0 HA ASP A 134 6.737 2.104 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.219 0.664 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.318 1.747 -2.460 1.00 0.00 H new ATOM 106 N GLU A 135 6.528 4.015 -0.184 1.00 0.00 N ATOM 107 CA GLU A 135 6.243 5.280 0.560 1.00 0.00 C ATOM 108 C GLU A 135 5.492 6.323 -0.321 1.00 0.00 C ATOM 109 O GLU A 135 4.430 6.798 0.094 1.00 0.00 O ATOM 110 CB GLU A 135 7.560 5.864 1.148 1.00 0.00 C ATOM 111 CG GLU A 135 8.177 5.011 2.281 1.00 0.00 C ATOM 112 CD GLU A 135 9.505 5.572 2.795 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.602 5.205 2.375 1.00 0.00 O ATOM 114 OE2 GLU A 135 9.326 6.520 3.769 1.00 0.00 O ATOM 0 H GLU A 135 7.495 3.932 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 135 5.574 5.041 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.290 5.966 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.363 6.866 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.470 4.950 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.334 3.995 1.919 1.00 0.00 H new ATOM 122 N GLN A 136 6.005 6.652 -1.525 1.00 0.00 N ATOM 123 CA GLN A 136 5.292 7.528 -2.503 1.00 0.00 C ATOM 124 C GLN A 136 4.076 6.867 -3.243 1.00 0.00 C ATOM 125 O GLN A 136 3.250 7.610 -3.782 1.00 0.00 O ATOM 126 CB GLN A 136 6.312 8.058 -3.551 1.00 0.00 C ATOM 127 CG GLN A 136 7.377 9.038 -3.001 1.00 0.00 C ATOM 128 CD GLN A 136 8.327 9.568 -4.088 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.025 10.538 -4.782 1.00 0.00 O ATOM 130 NE2 GLN A 136 9.487 8.951 -4.258 1.00 0.00 N ATOM 0 H GLN A 136 6.915 6.327 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 136 4.859 8.334 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.823 7.206 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.762 8.556 -4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.875 9.880 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.961 8.535 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.727 8.148 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.140 9.279 -4.970 1.00 0.00 H new ATOM 139 N PHE A 137 3.955 5.522 -3.270 1.00 0.00 N ATOM 140 CA PHE A 137 2.849 4.803 -3.950 1.00 0.00 C ATOM 141 C PHE A 137 1.950 4.123 -2.880 1.00 0.00 C ATOM 142 O PHE A 137 2.431 3.392 -2.010 1.00 0.00 O ATOM 143 CB PHE A 137 3.456 3.766 -4.946 1.00 0.00 C ATOM 144 CG PHE A 137 2.419 2.888 -5.682 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.646 3.416 -6.723 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.177 1.579 -5.246 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.645 2.647 -7.314 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.178 0.813 -5.839 1.00 0.00 C ATOM 149 CZ PHE A 137 0.412 1.348 -6.871 1.00 0.00 C ATOM 0 H PHE A 137 4.624 4.899 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 137 2.227 5.494 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 137 4.050 4.301 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.139 3.116 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.826 4.423 -7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.769 1.162 -4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 137 0.050 3.059 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.997 -0.196 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.365 0.754 -7.329 1.00 0.00 H new ATOM 159 N ILE A 138 0.629 4.330 -3.010 1.00 0.00 N ATOM 160 CA ILE A 138 -0.391 3.601 -2.203 1.00 0.00 C ATOM 161 C ILE A 138 -1.316 2.842 -3.227 1.00 0.00 C ATOM 162 O ILE A 138 -1.792 3.476 -4.179 1.00 0.00 O ATOM 163 CB ILE A 138 -1.167 4.500 -1.175 1.00 0.00 C ATOM 164 CG1 ILE A 138 -2.018 5.662 -1.781 1.00 0.00 C ATOM 165 CG2 ILE A 138 -0.188 5.062 -0.110 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.499 5.317 -2.011 1.00 0.00 C ATOM 0 H ILE A 138 0.230 4.999 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 138 0.099 2.887 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.898 3.828 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.958 6.524 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.576 5.961 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.737 5.684 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.283 4.236 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.579 5.662 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.012 6.181 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.574 4.477 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.962 5.048 -1.061 1.00 0.00 H new ATOM 178 N PRO A 139 -1.609 1.514 -3.096 1.00 0.00 N ATOM 179 CA PRO A 139 -2.441 0.760 -4.075 1.00 0.00 C ATOM 180 C PRO A 139 -3.979 0.978 -3.921 1.00 0.00 C ATOM 181 O PRO A 139 -4.453 1.622 -2.977 1.00 0.00 O ATOM 182 CB PRO A 139 -2.006 -0.693 -3.768 1.00 0.00 C ATOM 183 CG PRO A 139 -1.704 -0.708 -2.270 1.00 0.00 C ATOM 184 CD PRO A 139 -1.060 0.656 -2.031 1.00 0.00 C ATOM 0 HA PRO A 139 -2.284 1.077 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.795 -1.402 -4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -1.128 -0.973 -4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.610 -0.835 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -1.032 -1.523 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.306 1.044 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.027 0.598 -2.089 1.00 0.00 H new ATOM 192 N LYS A 140 -4.750 0.383 -4.857 1.00 0.00 N ATOM 193 CA LYS A 140 -6.233 0.308 -4.761 1.00 0.00 C ATOM 194 C LYS A 140 -6.553 -0.852 -3.768 1.00 0.00 C ATOM 195 O LYS A 140 -6.503 -2.037 -4.117 1.00 0.00 O ATOM 196 CB LYS A 140 -6.827 0.103 -6.181 1.00 0.00 C ATOM 197 CG LYS A 140 -8.369 0.172 -6.244 1.00 0.00 C ATOM 198 CD LYS A 140 -8.920 -0.009 -7.671 1.00 0.00 C ATOM 199 CE LYS A 140 -10.457 0.060 -7.725 1.00 0.00 C ATOM 200 NZ LYS A 140 -10.958 -0.116 -9.099 1.00 0.00 N ATOM 0 H LYS A 140 -4.371 -0.057 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.687 1.223 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.414 0.861 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.503 -0.866 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.789 -0.599 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.701 1.133 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.502 0.762 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.589 -0.970 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.880 -0.711 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.793 1.021 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.997 -0.064 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.574 0.635 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.658 -1.043 -9.462 1.00 0.00 H new ATOM 213 N GLY A 141 -6.825 -0.456 -2.518 1.00 0.00 N ATOM 214 CA GLY A 141 -6.877 -1.386 -1.363 1.00 0.00 C ATOM 215 C GLY A 141 -5.756 -1.191 -0.306 1.00 0.00 C ATOM 216 O GLY A 141 -5.293 -2.179 0.271 1.00 0.00 O ATOM 0 H GLY A 141 -7.016 0.515 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.843 -1.274 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.827 -2.408 -1.738 1.00 0.00 H new ATOM 220 N CYS A 142 -5.330 0.064 -0.060 1.00 0.00 N ATOM 221 CA CYS A 142 -4.248 0.417 0.899 1.00 0.00 C ATOM 222 C CYS A 142 -4.611 0.074 2.374 1.00 0.00 C ATOM 223 O CYS A 142 -4.082 -0.908 2.904 1.00 0.00 O ATOM 224 CB CYS A 142 -3.881 1.905 0.649 1.00 0.00 C ATOM 225 SG CYS A 142 -2.728 2.545 1.888 1.00 0.00 S ATOM 0 H CYS A 142 -5.730 0.878 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.363 -0.195 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.439 2.006 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.790 2.507 0.656 1.00 0.00 H new ATOM 230 N SER A 143 -5.506 0.851 3.007 1.00 0.00 N ATOM 231 CA SER A 143 -5.931 0.627 4.415 1.00 0.00 C ATOM 232 C SER A 143 -7.371 0.040 4.440 1.00 0.00 C ATOM 233 O SER A 143 -8.363 0.774 4.516 1.00 0.00 O ATOM 234 CB SER A 143 -5.782 1.947 5.213 1.00 0.00 C ATOM 235 OG SER A 143 -6.562 3.014 4.678 1.00 0.00 O ATOM 0 H SER A 143 -5.959 1.652 2.566 1.00 0.00 H new ATOM 0 HA SER A 143 -5.291 -0.108 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 143 -6.075 1.774 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 143 -4.733 2.242 5.224 1.00 0.00 H new ATOM 0 HG SER A 143 -7.451 2.680 4.437 1.00 0.00 H new ATOM 241 N LYS A 144 -7.466 -1.302 4.361 1.00 0.00 N ATOM 242 CA LYS A 144 -8.763 -2.033 4.409 1.00 0.00 C ATOM 243 C LYS A 144 -8.540 -3.488 4.885 1.00 0.00 C ATOM 244 O LYS A 144 -9.240 -4.016 5.749 1.00 0.00 O ATOM 245 CB LYS A 144 -9.569 -1.941 3.077 1.00 0.00 C ATOM 246 CG LYS A 144 -8.965 -2.492 1.761 1.00 0.00 C ATOM 247 CD LYS A 144 -9.343 -3.954 1.431 1.00 0.00 C ATOM 248 CE LYS A 144 -8.822 -4.464 0.073 1.00 0.00 C ATOM 249 NZ LYS A 144 -9.552 -3.902 -1.080 1.00 0.00 N ATOM 250 OXT LYS A 144 -7.499 -4.126 4.251 1.00 0.00 O ATOM 0 H LYS A 144 -6.655 -1.913 4.263 1.00 0.00 H new ATOM 0 HA LYS A 144 -9.396 -1.536 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.517 -2.454 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.800 -0.889 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -9.286 -1.855 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -7.879 -2.417 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.957 -4.601 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.429 -4.046 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.765 -4.216 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.898 -5.551 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.154 -4.283 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -10.557 -4.160 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.459 -2.866 -1.078 1.00 0.00 H new TER 264 LYS A 144