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 (4 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 133 GLN : amide:sc=-0.00111 X(o=-0.0011,f=-0.0011) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 33:sc= 0.246 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 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 0.877 -0.765 4.526 1.00 0.00 C HETATM 2 O ACE A 127 -0.209 -0.427 4.048 1.00 0.00 O HETATM 3 CH3 ACE A 127 1.410 -0.083 5.785 1.00 0.00 C HETATM 0 H1 ACE A 127 1.545 -0.825 6.572 1.00 0.00 H new HETATM 0 H2 ACE A 127 2.367 0.391 5.565 1.00 0.00 H new HETATM 0 H3 ACE A 127 0.699 0.673 6.118 1.00 0.00 H new ATOM 7 N LYS A 128 1.668 -1.718 4.010 1.00 0.00 N ATOM 8 CA LYS A 128 1.328 -2.488 2.783 1.00 0.00 C ATOM 9 C LYS A 128 0.812 -3.915 3.137 1.00 0.00 C ATOM 10 O LYS A 128 1.300 -4.571 4.065 1.00 0.00 O ATOM 11 CB LYS A 128 2.543 -2.526 1.807 1.00 0.00 C ATOM 12 CG LYS A 128 3.775 -3.418 2.121 1.00 0.00 C ATOM 13 CD LYS A 128 4.629 -3.070 3.360 1.00 0.00 C ATOM 14 CE LYS A 128 5.321 -1.694 3.297 1.00 0.00 C ATOM 15 NZ LYS A 128 6.101 -1.430 4.519 1.00 0.00 N ATOM 0 H LYS A 128 2.562 -1.983 4.424 1.00 0.00 H new ATOM 0 HA LYS A 128 0.512 -1.979 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 128 2.164 -2.832 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 128 2.904 -1.503 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 128 3.424 -4.443 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.430 -3.401 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 128 3.992 -3.102 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.390 -3.839 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.978 -1.655 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.572 -0.913 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 6.555 -0.497 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.468 -1.444 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.831 -2.162 4.630 1.00 0.00 H new ATOM 28 N CYS A 129 -0.166 -4.382 2.345 1.00 0.00 N ATOM 29 CA CYS A 129 -0.738 -5.752 2.456 1.00 0.00 C ATOM 30 C CYS A 129 -0.130 -6.631 1.328 1.00 0.00 C ATOM 31 O CYS A 129 0.710 -7.494 1.599 1.00 0.00 O ATOM 32 CB CYS A 129 -2.285 -5.687 2.454 1.00 0.00 C ATOM 33 SG CYS A 129 -2.966 -4.846 3.905 1.00 0.00 S ATOM 0 H CYS A 129 -0.591 -3.825 1.603 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.474 -6.221 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.619 -5.172 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.685 -6.700 2.409 1.00 0.00 H new ATOM 38 N THR A 130 -0.517 -6.355 0.070 1.00 0.00 N ATOM 39 CA THR A 130 0.168 -6.873 -1.150 1.00 0.00 C ATOM 40 C THR A 130 1.474 -6.050 -1.352 1.00 0.00 C ATOM 41 O THR A 130 1.426 -4.823 -1.484 1.00 0.00 O ATOM 42 CB THR A 130 -0.734 -6.817 -2.420 1.00 0.00 C ATOM 43 OG1 THR A 130 -1.274 -5.512 -2.620 1.00 0.00 O ATOM 44 CG2 THR A 130 -1.897 -7.821 -2.375 1.00 0.00 C ATOM 0 H THR A 130 -1.320 -5.762 -0.141 1.00 0.00 H new ATOM 0 HA THR A 130 0.398 -7.928 -1.003 1.00 0.00 H new ATOM 0 HB THR A 130 -0.078 -7.083 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.833 -5.509 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 130 -2.488 -7.734 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.501 -8.833 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 130 -2.528 -7.609 -1.512 1.00 0.00 H new ATOM 52 N SER A 131 2.627 -6.745 -1.291 1.00 0.00 N ATOM 53 CA SER A 131 3.981 -6.129 -1.172 1.00 0.00 C ATOM 54 C SER A 131 4.283 -4.951 -2.155 1.00 0.00 C ATOM 55 O SER A 131 4.357 -5.127 -3.375 1.00 0.00 O ATOM 56 CB SER A 131 5.041 -7.249 -1.314 1.00 0.00 C ATOM 57 OG SER A 131 5.015 -7.876 -2.595 1.00 0.00 O ATOM 0 H SER A 131 2.654 -7.764 -1.323 1.00 0.00 H new ATOM 0 HA SER A 131 4.017 -5.659 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.032 -6.829 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.874 -8.001 -0.543 1.00 0.00 H new ATOM 0 HG SER A 131 4.763 -7.218 -3.276 1.00 0.00 H new ATOM 63 N ASP A 132 4.402 -3.748 -1.569 1.00 0.00 N ATOM 64 CA ASP A 132 4.721 -2.495 -2.286 1.00 0.00 C ATOM 65 C ASP A 132 5.402 -1.622 -1.204 1.00 0.00 C ATOM 66 O ASP A 132 4.766 -1.056 -0.306 1.00 0.00 O ATOM 67 CB ASP A 132 3.507 -1.732 -2.862 1.00 0.00 C ATOM 68 CG ASP A 132 2.801 -2.395 -4.051 1.00 0.00 C ATOM 69 OD1 ASP A 132 1.815 -3.121 -3.937 1.00 0.00 O ATOM 70 OD2 ASP A 132 3.397 -2.083 -5.246 1.00 0.00 O ATOM 0 H ASP A 132 4.278 -3.613 -0.566 1.00 0.00 H new ATOM 0 HA ASP A 132 5.328 -2.722 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.778 -1.592 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.838 -0.740 -3.168 1.00 0.00 H new ATOM 76 N GLN A 133 6.726 -1.548 -1.328 1.00 0.00 N ATOM 77 CA GLN A 133 7.611 -0.823 -0.386 1.00 0.00 C ATOM 78 C GLN A 133 7.917 0.600 -0.935 1.00 0.00 C ATOM 79 O GLN A 133 9.033 0.923 -1.355 1.00 0.00 O ATOM 80 CB GLN A 133 8.844 -1.743 -0.171 1.00 0.00 C ATOM 81 CG GLN A 133 9.863 -1.296 0.897 1.00 0.00 C ATOM 82 CD GLN A 133 9.329 -1.276 2.341 1.00 0.00 C ATOM 83 OE1 GLN A 133 9.075 -2.318 2.944 1.00 0.00 O ATOM 84 NE2 GLN A 133 9.150 -0.099 2.922 1.00 0.00 N ATOM 0 H GLN A 133 7.232 -1.993 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 133 7.160 -0.632 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.485 -2.737 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.368 -1.838 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.726 -1.961 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.217 -0.297 0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.364 0.759 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.798 -0.051 3.878 1.00 0.00 H new ATOM 93 N ASP A 134 6.867 1.436 -0.912 1.00 0.00 N ATOM 94 CA ASP A 134 6.916 2.844 -1.385 1.00 0.00 C ATOM 95 C ASP A 134 6.053 3.708 -0.426 1.00 0.00 C ATOM 96 O ASP A 134 5.019 3.278 0.105 1.00 0.00 O ATOM 97 CB ASP A 134 6.360 3.032 -2.823 1.00 0.00 C ATOM 98 CG ASP A 134 6.945 2.143 -3.931 1.00 0.00 C ATOM 99 OD1 ASP A 134 7.996 2.395 -4.518 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.165 1.040 -4.175 1.00 0.00 O ATOM 0 H ASP A 134 5.949 1.159 -0.563 1.00 0.00 H new ATOM 0 HA ASP A 134 7.964 3.143 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 134 5.283 2.866 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 134 6.514 4.072 -3.110 1.00 0.00 H new ATOM 106 N GLU A 135 6.467 4.971 -0.272 1.00 0.00 N ATOM 107 CA GLU A 135 5.733 5.967 0.561 1.00 0.00 C ATOM 108 C GLU A 135 4.593 6.696 -0.211 1.00 0.00 C ATOM 109 O GLU A 135 3.512 6.867 0.361 1.00 0.00 O ATOM 110 CB GLU A 135 6.731 6.988 1.155 1.00 0.00 C ATOM 111 CG GLU A 135 7.816 6.349 2.049 1.00 0.00 C ATOM 112 CD GLU A 135 8.671 7.375 2.794 1.00 0.00 C ATOM 113 OE1 GLU A 135 9.728 7.824 2.353 1.00 0.00 O ATOM 114 OE2 GLU A 135 8.120 7.731 3.999 1.00 0.00 O ATOM 0 H GLU A 135 7.310 5.342 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 135 5.246 5.415 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 135 7.215 7.526 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.179 7.724 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.337 5.691 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.464 5.726 1.432 1.00 0.00 H new ATOM 122 N GLN A 136 4.799 7.084 -1.490 1.00 0.00 N ATOM 123 CA GLN A 136 3.694 7.560 -2.377 1.00 0.00 C ATOM 124 C GLN A 136 2.753 6.446 -2.962 1.00 0.00 C ATOM 125 O GLN A 136 1.829 6.776 -3.714 1.00 0.00 O ATOM 126 CB GLN A 136 4.308 8.417 -3.524 1.00 0.00 C ATOM 127 CG GLN A 136 5.049 9.719 -3.126 1.00 0.00 C ATOM 128 CD GLN A 136 4.160 10.794 -2.474 1.00 0.00 C ATOM 129 OE1 GLN A 136 3.373 11.463 -3.142 1.00 0.00 O ATOM 130 NE2 GLN A 136 4.266 10.984 -1.167 1.00 0.00 N ATOM 0 H GLN A 136 5.716 7.080 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 136 3.034 8.150 -1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 136 5.006 7.788 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 136 3.505 8.683 -4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 136 5.854 9.466 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 136 5.514 10.143 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 136 4.922 10.424 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.692 11.690 -0.706 1.00 0.00 H new ATOM 139 N PHE A 137 2.940 5.164 -2.588 1.00 0.00 N ATOM 140 CA PHE A 137 1.973 4.080 -2.886 1.00 0.00 C ATOM 141 C PHE A 137 2.119 2.971 -1.811 1.00 0.00 C ATOM 142 O PHE A 137 3.041 2.148 -1.844 1.00 0.00 O ATOM 143 CB PHE A 137 2.151 3.486 -4.317 1.00 0.00 C ATOM 144 CG PHE A 137 1.066 2.465 -4.742 1.00 0.00 C ATOM 145 CD1 PHE A 137 -0.221 2.906 -5.077 1.00 0.00 C ATOM 146 CD2 PHE A 137 1.346 1.091 -4.785 1.00 0.00 C ATOM 147 CE1 PHE A 137 -1.193 2.000 -5.494 1.00 0.00 C ATOM 148 CE2 PHE A 137 0.373 0.189 -5.208 1.00 0.00 C ATOM 149 CZ PHE A 137 -0.890 0.645 -5.574 1.00 0.00 C ATOM 0 H PHE A 137 3.762 4.848 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 137 0.970 4.505 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.159 4.305 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.126 3.002 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -0.461 3.957 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.320 0.731 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -2.181 2.349 -5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 137 0.599 -0.866 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 137 -1.636 -0.055 -5.921 1.00 0.00 H new ATOM 159 N ILE A 138 1.114 2.902 -0.928 1.00 0.00 N ATOM 160 CA ILE A 138 0.641 1.610 -0.381 1.00 0.00 C ATOM 161 C ILE A 138 -0.593 1.168 -1.275 1.00 0.00 C ATOM 162 O ILE A 138 -1.202 2.009 -1.955 1.00 0.00 O ATOM 163 CB ILE A 138 0.376 1.657 1.159 1.00 0.00 C ATOM 164 CG1 ILE A 138 -0.607 2.739 1.667 1.00 0.00 C ATOM 165 CG2 ILE A 138 1.727 1.799 1.916 1.00 0.00 C ATOM 166 CD1 ILE A 138 -2.089 2.466 1.386 1.00 0.00 C ATOM 0 H ILE A 138 0.611 3.716 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 138 1.413 0.843 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.125 0.712 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -0.473 2.850 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -0.338 3.692 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.541 1.832 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.365 0.946 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.223 2.719 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -2.691 3.284 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.247 2.387 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -2.384 1.533 1.865 1.00 0.00 H new ATOM 178 N PRO A 139 -1.016 -0.125 -1.324 1.00 0.00 N ATOM 179 CA PRO A 139 -2.113 -0.601 -2.213 1.00 0.00 C ATOM 180 C PRO A 139 -3.507 0.063 -2.029 1.00 0.00 C ATOM 181 O PRO A 139 -3.816 0.634 -0.977 1.00 0.00 O ATOM 182 CB PRO A 139 -2.170 -2.111 -1.906 1.00 0.00 C ATOM 183 CG PRO A 139 -0.798 -2.451 -1.343 1.00 0.00 C ATOM 184 CD PRO A 139 -0.385 -1.210 -0.567 1.00 0.00 C ATOM 0 HA PRO A 139 -1.890 -0.338 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.958 -2.338 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -2.382 -2.689 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -0.841 -3.327 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.088 -2.676 -2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.738 -1.242 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.699 -1.099 -0.529 1.00 0.00 H new ATOM 192 N LYS A 140 -4.354 -0.084 -3.065 1.00 0.00 N ATOM 193 CA LYS A 140 -5.812 0.216 -2.964 1.00 0.00 C ATOM 194 C LYS A 140 -6.492 -1.095 -2.473 1.00 0.00 C ATOM 195 O LYS A 140 -7.018 -1.913 -3.236 1.00 0.00 O ATOM 196 CB LYS A 140 -6.364 0.728 -4.319 1.00 0.00 C ATOM 197 CG LYS A 140 -5.874 2.146 -4.687 1.00 0.00 C ATOM 198 CD LYS A 140 -6.415 2.644 -6.041 1.00 0.00 C ATOM 199 CE LYS A 140 -5.896 4.048 -6.400 1.00 0.00 C ATOM 200 NZ LYS A 140 -6.422 4.501 -7.700 1.00 0.00 N ATOM 0 H LYS A 140 -4.062 -0.409 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.020 1.020 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.071 0.035 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -7.453 0.727 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.176 2.842 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.784 2.151 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.128 1.942 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.504 2.659 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -6.186 4.754 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.806 4.038 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -6.053 5.450 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.124 3.839 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -7.461 4.534 -7.662 1.00 0.00 H new ATOM 213 N GLY A 141 -6.373 -1.271 -1.155 1.00 0.00 N ATOM 214 CA GLY A 141 -6.534 -2.584 -0.502 1.00 0.00 C ATOM 215 C GLY A 141 -6.205 -2.534 0.997 1.00 0.00 C ATOM 216 O GLY A 141 -7.071 -2.816 1.830 1.00 0.00 O ATOM 0 H GLY A 141 -6.163 -0.512 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.559 -2.930 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.886 -3.312 -0.990 1.00 0.00 H new ATOM 220 N CYS A 142 -4.951 -2.177 1.322 1.00 0.00 N ATOM 221 CA CYS A 142 -4.475 -2.047 2.728 1.00 0.00 C ATOM 222 C CYS A 142 -5.130 -0.865 3.501 1.00 0.00 C ATOM 223 O CYS A 142 -5.764 -1.081 4.538 1.00 0.00 O ATOM 224 CB CYS A 142 -2.927 -1.980 2.726 1.00 0.00 C ATOM 225 SG CYS A 142 -2.257 -2.978 4.068 1.00 0.00 S ATOM 0 H CYS A 142 -4.234 -1.969 0.627 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.795 -2.930 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.542 -2.337 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -2.601 -0.946 2.835 1.00 0.00 H new ATOM 230 N SER A 143 -4.988 0.354 2.962 1.00 0.00 N ATOM 231 CA SER A 143 -5.696 1.563 3.453 1.00 0.00 C ATOM 232 C SER A 143 -6.155 2.357 2.201 1.00 0.00 C ATOM 233 O SER A 143 -5.334 2.906 1.457 1.00 0.00 O ATOM 234 CB SER A 143 -4.792 2.414 4.374 1.00 0.00 C ATOM 235 OG SER A 143 -4.491 1.720 5.579 1.00 0.00 O ATOM 0 H SER A 143 -4.376 0.539 2.167 1.00 0.00 H new ATOM 0 HA SER A 143 -6.556 1.285 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 143 -3.867 2.662 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.289 3.356 4.607 1.00 0.00 H new ATOM 0 HG SER A 143 -3.917 2.279 6.144 1.00 0.00 H new ATOM 241 N LYS A 144 -7.482 2.410 1.978 1.00 0.00 N ATOM 242 CA LYS A 144 -8.081 3.108 0.809 1.00 0.00 C ATOM 243 C LYS A 144 -8.370 4.575 1.196 1.00 0.00 C ATOM 244 O LYS A 144 -9.268 4.923 1.965 1.00 0.00 O ATOM 245 CB LYS A 144 -9.369 2.390 0.335 1.00 0.00 C ATOM 246 CG LYS A 144 -9.120 1.029 -0.353 1.00 0.00 C ATOM 247 CD LYS A 144 -10.414 0.418 -0.912 1.00 0.00 C ATOM 248 CE LYS A 144 -10.191 -0.944 -1.590 1.00 0.00 C ATOM 249 NZ LYS A 144 -11.455 -1.512 -2.091 1.00 0.00 N ATOM 0 H LYS A 144 -8.170 1.976 2.594 1.00 0.00 H new ATOM 0 HA LYS A 144 -7.378 3.089 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.022 2.236 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -9.901 3.042 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -8.402 1.159 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -8.673 0.338 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -11.134 0.301 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.854 1.108 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -9.490 -0.830 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.737 -1.635 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -11.268 -2.430 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -12.115 -1.644 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -11.875 -0.863 -2.787 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -7.500 5.447 0.590 1.00 0.00 O