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 (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 Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 48:sc= 0.219 USER MOD Single : A 131 SER OG : rot -108:sc= 0.28 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 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 161:sc= 0.00888 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.479 -0.142 -7.721 1.00 0.00 C HETATM 2 O ACE A 127 -3.360 -0.902 -7.311 1.00 0.00 O HETATM 3 CH3 ACE A 127 -2.801 0.913 -8.778 1.00 0.00 C HETATM 0 H1 ACE A 127 -2.592 1.905 -8.377 1.00 0.00 H new HETATM 0 H2 ACE A 127 -2.187 0.742 -9.662 1.00 0.00 H new HETATM 0 H3 ACE A 127 -3.854 0.846 -9.050 1.00 0.00 H new ATOM 7 N LYS A 128 -1.207 -0.161 -7.292 1.00 0.00 N ATOM 8 CA LYS A 128 -0.713 -1.118 -6.264 1.00 0.00 C ATOM 9 C LYS A 128 -0.715 -0.427 -4.872 1.00 0.00 C ATOM 10 O LYS A 128 -0.188 0.678 -4.698 1.00 0.00 O ATOM 11 CB LYS A 128 0.716 -1.625 -6.611 1.00 0.00 C ATOM 12 CG LYS A 128 0.796 -2.780 -7.634 1.00 0.00 C ATOM 13 CD LYS A 128 0.584 -2.384 -9.110 1.00 0.00 C ATOM 14 CE LYS A 128 0.782 -3.567 -10.074 1.00 0.00 C ATOM 15 NZ LYS A 128 0.569 -3.162 -11.475 1.00 0.00 N ATOM 0 H LYS A 128 -0.490 0.477 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.377 -1.982 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.294 -0.785 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.199 -1.949 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.772 -3.255 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.050 -3.529 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.422 -1.983 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.279 -1.586 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.789 -3.967 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.089 -4.368 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.710 -3.982 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.400 -2.803 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.247 -2.415 -11.727 1.00 0.00 H new ATOM 28 N CYS A 129 -1.299 -1.128 -3.885 1.00 0.00 N ATOM 29 CA CYS A 129 -1.411 -0.630 -2.491 1.00 0.00 C ATOM 30 C CYS A 129 -0.201 -1.130 -1.653 1.00 0.00 C ATOM 31 O CYS A 129 0.839 -0.466 -1.627 1.00 0.00 O ATOM 32 CB CYS A 129 -2.816 -1.001 -1.947 1.00 0.00 C ATOM 33 SG CYS A 129 -2.933 -0.606 -0.191 1.00 0.00 S ATOM 0 H CYS A 129 -1.707 -2.053 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.348 0.457 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -3.582 -0.458 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.004 -2.064 -2.101 1.00 0.00 H new ATOM 38 N THR A 130 -0.354 -2.276 -0.972 1.00 0.00 N ATOM 39 CA THR A 130 0.580 -2.728 0.092 1.00 0.00 C ATOM 40 C THR A 130 1.710 -3.638 -0.475 1.00 0.00 C ATOM 41 O THR A 130 1.465 -4.716 -1.026 1.00 0.00 O ATOM 42 CB THR A 130 -0.222 -3.357 1.273 1.00 0.00 C ATOM 43 OG1 THR A 130 0.648 -3.520 2.387 1.00 0.00 O ATOM 44 CG2 THR A 130 -0.891 -4.715 1.006 1.00 0.00 C ATOM 0 H THR A 130 -1.126 -2.922 -1.137 1.00 0.00 H new ATOM 0 HA THR A 130 1.107 -1.865 0.500 1.00 0.00 H new ATOM 0 HB THR A 130 -1.037 -2.655 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 130 1.153 -2.693 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.416 -5.045 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.602 -4.615 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.130 -5.449 0.740 1.00 0.00 H new ATOM 52 N SER A 131 2.948 -3.149 -0.326 1.00 0.00 N ATOM 53 CA SER A 131 4.180 -3.944 -0.556 1.00 0.00 C ATOM 54 C SER A 131 4.914 -4.018 0.819 1.00 0.00 C ATOM 55 O SER A 131 4.488 -4.811 1.665 1.00 0.00 O ATOM 56 CB SER A 131 4.961 -3.387 -1.778 1.00 0.00 C ATOM 57 OG SER A 131 5.337 -2.021 -1.623 1.00 0.00 O ATOM 0 H SER A 131 3.133 -2.187 -0.041 1.00 0.00 H new ATOM 0 HA SER A 131 4.006 -4.976 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.856 -3.989 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.347 -3.490 -2.672 1.00 0.00 H new ATOM 0 HG SER A 131 4.788 -1.462 -2.211 1.00 0.00 H new ATOM 63 N ASP A 132 5.976 -3.220 1.068 1.00 0.00 N ATOM 64 CA ASP A 132 6.676 -3.169 2.388 1.00 0.00 C ATOM 65 C ASP A 132 7.477 -1.852 2.668 1.00 0.00 C ATOM 66 O ASP A 132 7.707 -1.541 3.841 1.00 0.00 O ATOM 67 CB ASP A 132 7.615 -4.410 2.522 1.00 0.00 C ATOM 68 CG ASP A 132 8.098 -4.715 3.947 1.00 0.00 C ATOM 69 OD1 ASP A 132 9.221 -4.424 4.358 1.00 0.00 O ATOM 70 OD2 ASP A 132 7.135 -5.340 4.699 1.00 0.00 O ATOM 0 H ASP A 132 6.376 -2.594 0.370 1.00 0.00 H new ATOM 0 HA ASP A 132 5.890 -3.184 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.091 -5.285 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.486 -4.256 1.886 1.00 0.00 H new ATOM 76 N GLN A 133 7.934 -1.115 1.639 1.00 0.00 N ATOM 77 CA GLN A 133 8.984 -0.075 1.769 1.00 0.00 C ATOM 78 C GLN A 133 8.410 1.375 1.694 1.00 0.00 C ATOM 79 O GLN A 133 8.700 2.130 0.762 1.00 0.00 O ATOM 80 CB GLN A 133 10.042 -0.402 0.673 1.00 0.00 C ATOM 81 CG GLN A 133 11.380 0.349 0.836 1.00 0.00 C ATOM 82 CD GLN A 133 12.388 0.037 -0.282 1.00 0.00 C ATOM 83 OE1 GLN A 133 12.338 0.617 -1.366 1.00 0.00 O ATOM 84 NE2 GLN A 133 13.320 -0.876 -0.047 1.00 0.00 N ATOM 0 H GLN A 133 7.586 -1.221 0.686 1.00 0.00 H new ATOM 0 HA GLN A 133 9.449 -0.096 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.238 -1.474 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.622 -0.163 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.188 1.422 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.821 0.088 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 133 13.353 -1.351 0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.004 -1.103 -0.768 1.00 0.00 H new ATOM 93 N ASP A 134 7.655 1.758 2.745 1.00 0.00 N ATOM 94 CA ASP A 134 7.331 3.176 3.112 1.00 0.00 C ATOM 95 C ASP A 134 6.460 3.958 2.096 1.00 0.00 C ATOM 96 O ASP A 134 5.261 4.101 2.330 1.00 0.00 O ATOM 97 CB ASP A 134 8.623 3.880 3.624 1.00 0.00 C ATOM 98 CG ASP A 134 8.419 5.264 4.258 1.00 0.00 C ATOM 99 OD1 ASP A 134 8.059 5.428 5.423 1.00 0.00 O ATOM 100 OD2 ASP A 134 8.680 6.283 3.378 1.00 0.00 O ATOM 0 H ASP A 134 7.238 1.082 3.385 1.00 0.00 H new ATOM 0 HA ASP A 134 6.627 3.160 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.102 3.231 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.315 3.982 2.788 1.00 0.00 H new ATOM 106 N GLU A 135 7.048 4.511 1.034 1.00 0.00 N ATOM 107 CA GLU A 135 6.321 5.347 0.043 1.00 0.00 C ATOM 108 C GLU A 135 5.944 4.607 -1.282 1.00 0.00 C ATOM 109 O GLU A 135 4.916 4.955 -1.870 1.00 0.00 O ATOM 110 CB GLU A 135 7.150 6.637 -0.141 1.00 0.00 C ATOM 111 CG GLU A 135 8.542 6.506 -0.804 1.00 0.00 C ATOM 112 CD GLU A 135 9.226 7.857 -1.019 1.00 0.00 C ATOM 113 OE1 GLU A 135 9.990 8.367 -0.200 1.00 0.00 O ATOM 114 OE2 GLU A 135 8.888 8.424 -2.222 1.00 0.00 O ATOM 0 H GLU A 135 8.040 4.400 0.826 1.00 0.00 H new ATOM 0 HA GLU A 135 5.331 5.600 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 135 6.559 7.334 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.287 7.091 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.178 5.877 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.436 6.001 -1.764 1.00 0.00 H new ATOM 122 N GLN A 136 6.689 3.562 -1.715 1.00 0.00 N ATOM 123 CA GLN A 136 6.134 2.513 -2.634 1.00 0.00 C ATOM 124 C GLN A 136 5.110 1.500 -1.987 1.00 0.00 C ATOM 125 O GLN A 136 4.606 0.604 -2.669 1.00 0.00 O ATOM 126 CB GLN A 136 7.322 1.734 -3.276 1.00 0.00 C ATOM 127 CG GLN A 136 8.319 2.535 -4.153 1.00 0.00 C ATOM 128 CD GLN A 136 7.704 3.199 -5.399 1.00 0.00 C ATOM 129 OE1 GLN A 136 7.252 4.343 -5.354 1.00 0.00 O ATOM 130 NE2 GLN A 136 7.672 2.504 -6.527 1.00 0.00 N ATOM 0 H GLN A 136 7.664 3.415 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 136 5.546 3.052 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 136 7.887 1.262 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.907 0.933 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 136 8.780 3.308 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 136 9.117 1.865 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.049 1.557 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.270 2.916 -7.369 1.00 0.00 H new ATOM 139 N PHE A 137 4.778 1.695 -0.701 1.00 0.00 N ATOM 140 CA PHE A 137 3.770 0.946 0.075 1.00 0.00 C ATOM 141 C PHE A 137 2.783 2.005 0.622 1.00 0.00 C ATOM 142 O PHE A 137 3.178 3.041 1.165 1.00 0.00 O ATOM 143 CB PHE A 137 4.501 0.142 1.205 1.00 0.00 C ATOM 144 CG PHE A 137 3.865 -0.039 2.608 1.00 0.00 C ATOM 145 CD1 PHE A 137 4.077 0.939 3.591 1.00 0.00 C ATOM 146 CD2 PHE A 137 3.130 -1.181 2.940 1.00 0.00 C ATOM 147 CE1 PHE A 137 3.608 0.757 4.886 1.00 0.00 C ATOM 148 CE2 PHE A 137 2.666 -1.366 4.239 1.00 0.00 C ATOM 149 CZ PHE A 137 2.906 -0.399 5.212 1.00 0.00 C ATOM 0 H PHE A 137 5.229 2.419 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 137 3.219 0.215 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 137 4.691 -0.857 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 137 5.471 0.616 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.611 1.843 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 137 2.921 -1.924 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 137 3.788 1.511 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.119 -2.262 4.493 1.00 0.00 H new ATOM 0 HZ PHE A 137 2.547 -0.547 6.220 1.00 0.00 H new ATOM 159 N ILE A 138 1.485 1.708 0.566 1.00 0.00 N ATOM 160 CA ILE A 138 0.511 2.269 1.524 1.00 0.00 C ATOM 161 C ILE A 138 -0.083 1.055 2.346 1.00 0.00 C ATOM 162 O ILE A 138 0.017 -0.101 1.916 1.00 0.00 O ATOM 163 CB ILE A 138 -0.482 3.247 0.831 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.306 2.601 -0.305 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.267 4.530 0.358 1.00 0.00 C ATOM 166 CD1 ILE A 138 -2.573 3.395 -0.590 1.00 0.00 C ATOM 0 H ILE A 138 1.076 1.083 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 138 0.964 2.934 2.259 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.221 3.529 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -0.700 2.543 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.569 1.579 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.439 5.206 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.715 5.027 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.049 4.255 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.130 2.914 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.190 3.431 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -2.307 4.409 -0.888 1.00 0.00 H new ATOM 178 N PRO A 139 -0.662 1.243 3.562 1.00 0.00 N ATOM 179 CA PRO A 139 -0.965 0.135 4.517 1.00 0.00 C ATOM 180 C PRO A 139 -2.007 -0.937 4.067 1.00 0.00 C ATOM 181 O PRO A 139 -2.552 -0.884 2.958 1.00 0.00 O ATOM 182 CB PRO A 139 -1.444 0.912 5.769 1.00 0.00 C ATOM 183 CG PRO A 139 -1.094 2.379 5.567 1.00 0.00 C ATOM 184 CD PRO A 139 -1.042 2.568 4.063 1.00 0.00 C ATOM 0 HA PRO A 139 -0.087 -0.497 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.519 0.791 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.962 0.524 6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.842 3.029 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.137 2.623 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -2.006 2.886 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -0.314 3.328 3.779 1.00 0.00 H new ATOM 192 N LYS A 140 -2.316 -1.880 4.984 1.00 0.00 N ATOM 193 CA LYS A 140 -3.525 -2.745 4.876 1.00 0.00 C ATOM 194 C LYS A 140 -4.749 -1.974 5.483 1.00 0.00 C ATOM 195 O LYS A 140 -5.248 -2.247 6.579 1.00 0.00 O ATOM 196 CB LYS A 140 -3.214 -4.100 5.564 1.00 0.00 C ATOM 197 CG LYS A 140 -4.273 -5.199 5.328 1.00 0.00 C ATOM 198 CD LYS A 140 -3.912 -6.535 6.007 1.00 0.00 C ATOM 199 CE LYS A 140 -4.972 -7.626 5.767 1.00 0.00 C ATOM 200 NZ LYS A 140 -4.603 -8.891 6.426 1.00 0.00 N ATOM 0 H LYS A 140 -1.748 -2.066 5.810 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.790 -2.972 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.249 -4.461 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -3.115 -3.934 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -5.237 -4.855 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.388 -5.361 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.949 -6.881 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.797 -6.374 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -5.937 -7.286 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.088 -7.793 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.338 -9.604 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.694 -9.227 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -4.516 -8.736 7.451 1.00 0.00 H new ATOM 213 N GLY A 141 -5.181 -0.981 4.702 1.00 0.00 N ATOM 214 CA GLY A 141 -6.259 -0.021 5.052 1.00 0.00 C ATOM 215 C GLY A 141 -6.795 0.861 3.887 1.00 0.00 C ATOM 216 O GLY A 141 -7.862 1.465 4.021 1.00 0.00 O ATOM 0 H GLY A 141 -4.785 -0.808 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.095 -0.581 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.890 0.637 5.839 1.00 0.00 H new ATOM 220 N CYS A 142 -6.089 0.878 2.743 1.00 0.00 N ATOM 221 CA CYS A 142 -6.492 1.551 1.486 1.00 0.00 C ATOM 222 C CYS A 142 -7.806 1.022 0.838 1.00 0.00 C ATOM 223 O CYS A 142 -8.779 1.770 0.721 1.00 0.00 O ATOM 224 CB CYS A 142 -5.269 1.352 0.553 1.00 0.00 C ATOM 225 SG CYS A 142 -4.837 -0.401 0.361 1.00 0.00 S ATOM 0 H CYS A 142 -5.188 0.407 2.661 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.738 2.596 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -5.486 1.781 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.414 1.894 0.956 1.00 0.00 H new ATOM 230 N SER A 143 -7.797 -0.259 0.432 1.00 0.00 N ATOM 231 CA SER A 143 -8.903 -0.970 -0.275 1.00 0.00 C ATOM 232 C SER A 143 -9.057 -0.430 -1.728 1.00 0.00 C ATOM 233 O SER A 143 -9.697 0.604 -1.952 1.00 0.00 O ATOM 234 CB SER A 143 -10.252 -0.969 0.493 1.00 0.00 C ATOM 235 OG SER A 143 -10.109 -1.556 1.782 1.00 0.00 O ATOM 0 H SER A 143 -6.990 -0.862 0.589 1.00 0.00 H new ATOM 0 HA SER A 143 -8.614 -2.020 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 143 -10.616 0.054 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 143 -11.000 -1.518 -0.079 1.00 0.00 H new ATOM 0 HG SER A 143 -10.972 -1.541 2.246 1.00 0.00 H new ATOM 241 N LYS A 144 -8.446 -1.140 -2.696 1.00 0.00 N ATOM 242 CA LYS A 144 -8.469 -0.753 -4.131 1.00 0.00 C ATOM 243 C LYS A 144 -9.237 -1.850 -4.896 1.00 0.00 C ATOM 244 O LYS A 144 -8.774 -2.961 -5.160 1.00 0.00 O ATOM 245 CB LYS A 144 -7.037 -0.559 -4.692 1.00 0.00 C ATOM 246 CG LYS A 144 -6.293 0.673 -4.128 1.00 0.00 C ATOM 247 CD LYS A 144 -4.986 0.969 -4.882 1.00 0.00 C ATOM 248 CE LYS A 144 -4.221 2.164 -4.289 1.00 0.00 C ATOM 249 NZ LYS A 144 -2.998 2.463 -5.053 1.00 0.00 N ATOM 0 H LYS A 144 -7.923 -1.996 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 144 -8.970 0.207 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -6.451 -1.452 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -7.094 -0.469 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.946 1.544 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.071 0.508 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.348 0.085 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.212 1.170 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.868 3.041 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.959 1.950 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -2.686 3.433 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.249 1.793 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.194 2.375 -6.071 1.00 0.00 H new TER 262 LYS A 144 HETATM 263 O OH A 145 -10.503 -1.447 -5.241 1.00 0.00 O