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= 0.435 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 -12:sc= 0.0375 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -3.773 -1.448 6.000 1.00 0.00 C HETATM 2 O ACE A 127 -3.712 -0.216 5.981 1.00 0.00 O HETATM 3 CH3 ACE A 127 -5.070 -2.152 6.398 1.00 0.00 C HETATM 0 H1 ACE A 127 -5.413 -2.776 5.573 1.00 0.00 H new HETATM 0 H2 ACE A 127 -4.892 -2.775 7.274 1.00 0.00 H new HETATM 0 H3 ACE A 127 -5.831 -1.408 6.631 1.00 0.00 H new ATOM 7 N LYS A 128 -2.749 -2.256 5.683 1.00 0.00 N ATOM 8 CA LYS A 128 -1.387 -1.747 5.357 1.00 0.00 C ATOM 9 C LYS A 128 -1.265 -1.259 3.881 1.00 0.00 C ATOM 10 O LYS A 128 -1.829 -1.857 2.957 1.00 0.00 O ATOM 11 CB LYS A 128 -0.312 -2.827 5.687 1.00 0.00 C ATOM 12 CG LYS A 128 -0.368 -4.157 4.887 1.00 0.00 C ATOM 13 CD LYS A 128 0.740 -5.174 5.231 1.00 0.00 C ATOM 14 CE LYS A 128 2.142 -4.775 4.729 1.00 0.00 C ATOM 15 NZ LYS A 128 3.140 -5.824 5.000 1.00 0.00 N ATOM 0 H LYS A 128 -2.829 -3.272 5.643 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.210 -0.872 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.671 -2.382 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.390 -3.068 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.337 -4.626 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.310 -3.926 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.777 -5.302 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 128 0.475 -6.141 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.102 -4.580 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.450 -3.847 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.070 -5.518 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.197 -5.993 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.860 -6.703 4.519 1.00 0.00 H new ATOM 28 N CYS A 129 -0.498 -0.170 3.689 1.00 0.00 N ATOM 29 CA CYS A 129 -0.214 0.400 2.344 1.00 0.00 C ATOM 30 C CYS A 129 1.140 -0.128 1.786 1.00 0.00 C ATOM 31 O CYS A 129 1.152 -0.816 0.761 1.00 0.00 O ATOM 32 CB CYS A 129 -0.271 1.946 2.387 1.00 0.00 C ATOM 33 SG CYS A 129 -1.901 2.578 2.854 1.00 0.00 S ATOM 0 H CYS A 129 -0.056 0.343 4.452 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.988 0.066 1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.472 2.312 3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -0.000 2.342 1.408 1.00 0.00 H new ATOM 38 N THR A 130 2.262 0.183 2.463 1.00 0.00 N ATOM 39 CA THR A 130 3.628 -0.216 2.033 1.00 0.00 C ATOM 40 C THR A 130 3.891 -1.730 2.311 1.00 0.00 C ATOM 41 O THR A 130 3.814 -2.194 3.453 1.00 0.00 O ATOM 42 CB THR A 130 4.689 0.725 2.691 1.00 0.00 C ATOM 43 OG1 THR A 130 5.982 0.368 2.216 1.00 0.00 O ATOM 44 CG2 THR A 130 4.765 0.740 4.232 1.00 0.00 C ATOM 0 H THR A 130 2.253 0.721 3.329 1.00 0.00 H new ATOM 0 HA THR A 130 3.715 -0.095 0.953 1.00 0.00 H new ATOM 0 HB THR A 130 4.359 1.723 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 130 6.653 0.955 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 130 5.542 1.435 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 130 3.805 1.056 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.002 -0.260 4.594 1.00 0.00 H new ATOM 52 N SER A 131 4.208 -2.475 1.236 1.00 0.00 N ATOM 53 CA SER A 131 4.569 -3.915 1.320 1.00 0.00 C ATOM 54 C SER A 131 6.094 -4.055 1.613 1.00 0.00 C ATOM 55 O SER A 131 6.451 -4.435 2.732 1.00 0.00 O ATOM 56 CB SER A 131 4.083 -4.624 0.033 1.00 0.00 C ATOM 57 OG SER A 131 4.332 -6.022 0.106 1.00 0.00 O ATOM 0 H SER A 131 4.223 -2.104 0.286 1.00 0.00 H new ATOM 0 HA SER A 131 4.069 -4.414 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.017 -4.446 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.592 -4.204 -0.834 1.00 0.00 H new ATOM 0 HG SER A 131 4.017 -6.454 -0.715 1.00 0.00 H new ATOM 63 N ASP A 132 6.972 -3.725 0.641 1.00 0.00 N ATOM 64 CA ASP A 132 8.449 -3.707 0.836 1.00 0.00 C ATOM 65 C ASP A 132 8.864 -2.249 1.209 1.00 0.00 C ATOM 66 O ASP A 132 9.027 -1.968 2.401 1.00 0.00 O ATOM 67 CB ASP A 132 9.182 -4.377 -0.369 1.00 0.00 C ATOM 68 CG ASP A 132 8.938 -3.837 -1.795 1.00 0.00 C ATOM 69 OD1 ASP A 132 7.898 -4.031 -2.424 1.00 0.00 O ATOM 70 OD2 ASP A 132 10.006 -3.120 -2.271 1.00 0.00 O ATOM 0 H ASP A 132 6.683 -3.463 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 132 8.772 -4.328 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.253 -4.318 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.915 -5.434 -0.368 1.00 0.00 H new ATOM 76 N GLN A 133 9.007 -1.333 0.231 1.00 0.00 N ATOM 77 CA GLN A 133 9.246 0.109 0.485 1.00 0.00 C ATOM 78 C GLN A 133 8.512 0.863 -0.658 1.00 0.00 C ATOM 79 O GLN A 133 9.065 1.067 -1.744 1.00 0.00 O ATOM 80 CB GLN A 133 10.766 0.423 0.570 1.00 0.00 C ATOM 81 CG GLN A 133 11.069 1.875 1.006 1.00 0.00 C ATOM 82 CD GLN A 133 12.571 2.174 1.133 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.194 1.890 2.156 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.181 2.753 0.110 1.00 0.00 N ATOM 0 H GLN A 133 8.961 -1.569 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 133 8.856 0.431 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 133 11.233 -0.265 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.222 0.241 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.629 2.563 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.586 2.067 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 133 12.655 2.984 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.177 2.968 0.165 1.00 0.00 H new ATOM 93 N ASP A 134 7.255 1.258 -0.390 1.00 0.00 N ATOM 94 CA ASP A 134 6.414 2.024 -1.351 1.00 0.00 C ATOM 95 C ASP A 134 5.961 3.318 -0.615 1.00 0.00 C ATOM 96 O ASP A 134 4.831 3.427 -0.128 1.00 0.00 O ATOM 97 CB ASP A 134 5.219 1.161 -1.856 1.00 0.00 C ATOM 98 CG ASP A 134 5.606 -0.069 -2.693 1.00 0.00 C ATOM 99 OD1 ASP A 134 5.730 -0.041 -3.917 1.00 0.00 O ATOM 100 OD2 ASP A 134 5.793 -1.189 -1.920 1.00 0.00 O ATOM 0 H ASP A 134 6.787 1.060 0.494 1.00 0.00 H new ATOM 0 HA ASP A 134 6.972 2.291 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.643 0.826 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.561 1.794 -2.452 1.00 0.00 H new ATOM 106 N GLU A 135 6.872 4.308 -0.537 1.00 0.00 N ATOM 107 CA GLU A 135 6.632 5.586 0.199 1.00 0.00 C ATOM 108 C GLU A 135 5.755 6.579 -0.620 1.00 0.00 C ATOM 109 O GLU A 135 4.727 7.031 -0.108 1.00 0.00 O ATOM 110 CB GLU A 135 7.992 6.223 0.609 1.00 0.00 C ATOM 111 CG GLU A 135 8.785 5.412 1.661 1.00 0.00 C ATOM 112 CD GLU A 135 10.149 6.029 1.981 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.325 6.855 2.876 1.00 0.00 O ATOM 114 OE2 GLU A 135 11.139 5.554 1.159 1.00 0.00 O ATOM 0 H GLU A 135 7.791 4.255 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 135 6.068 5.357 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 135 8.608 6.340 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.807 7.223 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 135 8.199 5.343 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.928 4.395 1.297 1.00 0.00 H new ATOM 122 N GLN A 136 6.132 6.887 -1.878 1.00 0.00 N ATOM 123 CA GLN A 136 5.298 7.713 -2.800 1.00 0.00 C ATOM 124 C GLN A 136 4.070 6.968 -3.435 1.00 0.00 C ATOM 125 O GLN A 136 3.186 7.652 -3.960 1.00 0.00 O ATOM 126 CB GLN A 136 6.208 8.295 -3.924 1.00 0.00 C ATOM 127 CG GLN A 136 7.186 9.433 -3.529 1.00 0.00 C ATOM 128 CD GLN A 136 8.424 9.021 -2.708 1.00 0.00 C ATOM 129 OE1 GLN A 136 8.454 9.158 -1.485 1.00 0.00 O ATOM 130 NE2 GLN A 136 9.464 8.516 -3.354 1.00 0.00 N ATOM 0 H GLN A 136 7.013 6.578 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 136 4.863 8.503 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.794 7.476 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.564 8.665 -4.722 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.529 9.921 -4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.631 10.178 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.430 8.406 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.298 8.237 -2.838 1.00 0.00 H new ATOM 139 N PHE A 137 3.996 5.618 -3.386 1.00 0.00 N ATOM 140 CA PHE A 137 2.874 4.828 -3.948 1.00 0.00 C ATOM 141 C PHE A 137 2.108 4.140 -2.785 1.00 0.00 C ATOM 142 O PHE A 137 2.696 3.441 -1.953 1.00 0.00 O ATOM 143 CB PHE A 137 3.441 3.787 -4.963 1.00 0.00 C ATOM 144 CG PHE A 137 2.379 2.861 -5.602 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.522 3.341 -6.599 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.208 1.557 -5.121 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.505 2.531 -7.100 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.190 0.750 -5.623 1.00 0.00 C ATOM 149 CZ PHE A 137 0.339 1.238 -6.611 1.00 0.00 C ATOM 0 H PHE A 137 4.717 5.042 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 137 2.174 5.472 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.962 4.321 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.182 3.170 -4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.649 4.343 -6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.869 1.175 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.155 2.906 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.061 -0.254 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.451 0.612 -6.999 1.00 0.00 H new ATOM 159 N ILE A 138 0.775 4.300 -2.793 1.00 0.00 N ATOM 160 CA ILE A 138 -0.144 3.529 -1.906 1.00 0.00 C ATOM 161 C ILE A 138 -1.051 2.662 -2.856 1.00 0.00 C ATOM 162 O ILE A 138 -1.529 3.189 -3.871 1.00 0.00 O ATOM 163 CB ILE A 138 -0.937 4.410 -0.872 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.932 5.458 -1.466 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.054 5.122 0.089 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.367 4.944 -1.668 1.00 0.00 C ATOM 0 H ILE A 138 0.296 4.960 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 138 0.427 2.882 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.571 3.696 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.961 6.325 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.546 5.801 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.503 5.730 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.638 4.376 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.724 5.761 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.984 5.741 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.357 4.097 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.779 4.629 -0.709 1.00 0.00 H new ATOM 178 N PRO A 139 -1.334 1.351 -2.594 1.00 0.00 N ATOM 179 CA PRO A 139 -2.144 0.497 -3.503 1.00 0.00 C ATOM 180 C PRO A 139 -3.666 0.827 -3.504 1.00 0.00 C ATOM 181 O PRO A 139 -4.205 1.404 -2.551 1.00 0.00 O ATOM 182 CB PRO A 139 -1.837 -0.919 -2.971 1.00 0.00 C ATOM 183 CG PRO A 139 -1.550 -0.732 -1.480 1.00 0.00 C ATOM 184 CD PRO A 139 -0.837 0.617 -1.417 1.00 0.00 C ATOM 0 HA PRO A 139 -1.887 0.641 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.681 -1.591 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.981 -1.356 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -2.468 -0.728 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.925 -1.534 -1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -1.069 1.146 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.246 0.496 -1.452 1.00 0.00 H new ATOM 192 N LYS A 140 -4.346 0.415 -4.591 1.00 0.00 N ATOM 193 CA LYS A 140 -5.817 0.578 -4.745 1.00 0.00 C ATOM 194 C LYS A 140 -6.502 -0.557 -3.931 1.00 0.00 C ATOM 195 O LYS A 140 -6.589 -1.709 -4.369 1.00 0.00 O ATOM 196 CB LYS A 140 -6.220 0.544 -6.245 1.00 0.00 C ATOM 197 CG LYS A 140 -5.752 1.765 -7.069 1.00 0.00 C ATOM 198 CD LYS A 140 -6.177 1.695 -8.551 1.00 0.00 C ATOM 199 CE LYS A 140 -5.746 2.904 -9.406 1.00 0.00 C ATOM 200 NZ LYS A 140 -4.291 2.959 -9.651 1.00 0.00 N ATOM 0 H LYS A 140 -3.900 -0.039 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.142 1.546 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.811 -0.360 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.305 0.471 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.158 2.673 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.666 1.840 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.760 0.789 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.262 1.602 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -6.267 2.867 -10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.058 3.822 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.068 3.793 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.788 3.024 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -3.991 2.099 -10.153 1.00 0.00 H new ATOM 213 N GLY A 141 -6.933 -0.187 -2.717 1.00 0.00 N ATOM 214 CA GLY A 141 -7.418 -1.148 -1.697 1.00 0.00 C ATOM 215 C GLY A 141 -6.515 -1.326 -0.449 1.00 0.00 C ATOM 216 O GLY A 141 -6.498 -2.424 0.113 1.00 0.00 O ATOM 0 H GLY A 141 -6.958 0.785 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.405 -0.827 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -7.543 -2.121 -2.173 1.00 0.00 H new ATOM 220 N CYS A 142 -5.792 -0.273 -0.007 1.00 0.00 N ATOM 221 CA CYS A 142 -4.926 -0.304 1.208 1.00 0.00 C ATOM 222 C CYS A 142 -5.722 -0.627 2.508 1.00 0.00 C ATOM 223 O CYS A 142 -5.523 -1.703 3.079 1.00 0.00 O ATOM 224 CB CYS A 142 -4.136 1.027 1.288 1.00 0.00 C ATOM 225 SG CYS A 142 -3.281 1.132 2.873 1.00 0.00 S ATOM 0 H CYS A 142 -5.788 0.630 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.215 -1.126 1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.416 1.084 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.815 1.872 1.174 1.00 0.00 H new ATOM 230 N SER A 143 -6.620 0.276 2.937 1.00 0.00 N ATOM 231 CA SER A 143 -7.529 0.042 4.088 1.00 0.00 C ATOM 232 C SER A 143 -8.919 -0.337 3.509 1.00 0.00 C ATOM 233 O SER A 143 -9.730 0.532 3.169 1.00 0.00 O ATOM 234 CB SER A 143 -7.575 1.294 4.993 1.00 0.00 C ATOM 235 OG SER A 143 -6.312 1.524 5.609 1.00 0.00 O ATOM 0 H SER A 143 -6.741 1.190 2.501 1.00 0.00 H new ATOM 0 HA SER A 143 -7.177 -0.772 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 143 -7.859 2.164 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 143 -8.340 1.166 5.759 1.00 0.00 H new ATOM 0 HG SER A 143 -5.742 0.736 5.490 1.00 0.00 H new ATOM 241 N LYS A 144 -9.156 -1.656 3.367 1.00 0.00 N ATOM 242 CA LYS A 144 -10.392 -2.199 2.753 1.00 0.00 C ATOM 243 C LYS A 144 -10.723 -3.496 3.519 1.00 0.00 C ATOM 244 O LYS A 144 -10.112 -4.557 3.376 1.00 0.00 O ATOM 245 CB LYS A 144 -10.171 -2.408 1.224 1.00 0.00 C ATOM 246 CG LYS A 144 -11.433 -2.617 0.356 1.00 0.00 C ATOM 247 CD LYS A 144 -12.090 -4.010 0.448 1.00 0.00 C ATOM 248 CE LYS A 144 -13.258 -4.181 -0.540 1.00 0.00 C ATOM 249 NZ LYS A 144 -13.868 -5.518 -0.428 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.779 -3.331 4.379 1.00 0.00 O ATOM 0 H LYS A 144 -8.501 -2.376 3.672 1.00 0.00 H new ATOM 0 HA LYS A 144 -11.241 -1.520 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.633 -1.542 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.521 -3.273 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -12.173 -1.868 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -11.170 -2.429 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -11.339 -4.775 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -12.452 -4.170 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -14.013 -3.418 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -12.900 -4.027 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -14.651 -5.600 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -13.153 -6.244 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -14.231 -5.654 0.537 1.00 0.00 H new TER 264 LYS A 144