USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 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 132 MET CE :methyl -128:sc= -1.38 (180deg=-5.44!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 95:sc= 0.188 USER MOD Single : A 148 LYS NZ :NH3+ -171:sc= -0.0944 (180deg=-0.242) USER MOD Single : A 150 LYS NZ :NH3+ 152:sc= -0.0873 (180deg=-0.539) USER MOD Single : A 152 THR OG1 : rot 54:sc= 1.15 USER MOD Single : A 159 THR OG1 : rot -89:sc= -0.502 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.322 0.053 4.226 1.00 0.00 N ATOM 77 CA ALA A 130 9.412 0.987 3.113 1.00 0.00 C ATOM 78 C ALA A 130 8.052 1.185 2.462 1.00 0.00 C ATOM 79 O ALA A 130 7.183 0.314 2.533 1.00 0.00 O ATOM 80 CB ALA A 130 10.420 0.501 2.082 1.00 0.00 C ATOM 0 HA ALA A 130 9.751 1.945 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.471 1.214 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.402 0.412 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.110 -0.472 1.700 1.00 0.00 H new ATOM 86 N ALA A 131 7.878 2.327 1.818 1.00 0.00 N ATOM 87 CA ALA A 131 6.628 2.637 1.143 1.00 0.00 C ATOM 88 C ALA A 131 6.848 3.649 0.026 1.00 0.00 C ATOM 89 O ALA A 131 6.871 4.855 0.271 1.00 0.00 O ATOM 90 CB ALA A 131 5.604 3.161 2.139 1.00 0.00 C ATOM 0 H ALA A 131 8.588 3.056 1.748 1.00 0.00 H new ATOM 0 HA ALA A 131 6.246 1.718 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.674 3.389 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.418 2.404 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.986 4.066 2.612 1.00 0.00 H new ATOM 96 N MET A 132 7.012 3.155 -1.202 1.00 0.00 N ATOM 97 CA MET A 132 7.227 4.033 -2.351 1.00 0.00 C ATOM 98 C MET A 132 6.221 5.192 -2.341 1.00 0.00 C ATOM 99 O MET A 132 5.259 5.173 -1.572 1.00 0.00 O ATOM 100 CB MET A 132 7.140 3.232 -3.656 1.00 0.00 C ATOM 101 CG MET A 132 5.899 2.362 -3.776 1.00 0.00 C ATOM 102 SD MET A 132 5.962 1.279 -5.215 1.00 0.00 S ATOM 103 CE MET A 132 5.946 2.476 -6.547 1.00 0.00 C ATOM 0 H MET A 132 7.000 2.160 -1.425 1.00 0.00 H new ATOM 0 HA MET A 132 8.227 4.461 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.166 3.926 -4.496 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.023 2.598 -3.739 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.792 1.759 -2.874 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.016 2.998 -3.841 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.157 2.222 -7.255 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.762 3.470 -6.140 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.909 2.465 -7.057 1.00 0.00 H new ATOM 113 N PRO A 133 6.428 6.227 -3.179 1.00 0.00 N ATOM 114 CA PRO A 133 5.531 7.387 -3.222 1.00 0.00 C ATOM 115 C PRO A 133 4.184 7.059 -3.848 1.00 0.00 C ATOM 116 O PRO A 133 3.154 7.607 -3.457 1.00 0.00 O ATOM 117 CB PRO A 133 6.294 8.404 -4.073 1.00 0.00 C ATOM 118 CG PRO A 133 7.204 7.590 -4.926 1.00 0.00 C ATOM 119 CD PRO A 133 7.544 6.354 -4.135 1.00 0.00 C ATOM 0 HA PRO A 133 5.292 7.751 -2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.613 9.000 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.855 9.099 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 133 6.721 7.327 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.105 8.150 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.621 5.477 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.500 6.458 -3.622 1.00 0.00 H new ATOM 127 N ALA A 134 4.200 6.157 -4.817 1.00 0.00 N ATOM 128 CA ALA A 134 2.982 5.745 -5.497 1.00 0.00 C ATOM 129 C ALA A 134 1.990 5.138 -4.506 1.00 0.00 C ATOM 130 O ALA A 134 0.840 5.575 -4.405 1.00 0.00 O ATOM 131 CB ALA A 134 3.325 4.748 -6.592 1.00 0.00 C ATOM 0 H ALA A 134 5.046 5.695 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 134 2.512 6.620 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.412 4.439 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.001 5.213 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.808 3.876 -6.152 1.00 0.00 H new ATOM 137 N ALA A 135 2.455 4.136 -3.769 1.00 0.00 N ATOM 138 CA ALA A 135 1.634 3.461 -2.776 1.00 0.00 C ATOM 139 C ALA A 135 1.362 4.377 -1.590 1.00 0.00 C ATOM 140 O ALA A 135 0.294 4.324 -0.980 1.00 0.00 O ATOM 141 CB ALA A 135 2.314 2.181 -2.322 1.00 0.00 C ATOM 0 H ALA A 135 3.405 3.772 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 135 0.676 3.205 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.692 1.682 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.456 1.521 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.283 2.420 -1.883 1.00 0.00 H new ATOM 147 N ARG A 136 2.333 5.226 -1.280 1.00 0.00 N ATOM 148 CA ARG A 136 2.200 6.169 -0.179 1.00 0.00 C ATOM 149 C ARG A 136 1.131 7.201 -0.499 1.00 0.00 C ATOM 150 O ARG A 136 0.264 7.497 0.323 1.00 0.00 O ATOM 151 CB ARG A 136 3.532 6.869 0.071 1.00 0.00 C ATOM 152 CG ARG A 136 4.396 6.170 1.102 1.00 0.00 C ATOM 153 CD ARG A 136 5.593 7.021 1.497 1.00 0.00 C ATOM 154 NE ARG A 136 5.188 8.286 2.105 1.00 0.00 N ATOM 155 CZ ARG A 136 6.030 9.123 2.705 1.00 0.00 C ATOM 156 NH1 ARG A 136 7.323 8.834 2.782 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.579 10.255 3.231 1.00 0.00 N ATOM 0 H ARG A 136 3.222 5.280 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 136 1.908 5.622 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.081 6.934 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.341 7.890 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.800 5.947 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.742 5.217 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 136 6.217 6.466 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 136 6.202 7.221 0.616 1.00 0.00 H new ATOM 0 HE ARG A 136 4.202 8.543 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 136 7.676 7.966 2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.963 9.480 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.586 10.483 3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.225 10.897 3.691 1.00 0.00 H new ATOM 171 N ARG A 137 1.203 7.741 -1.708 1.00 0.00 N ATOM 172 CA ARG A 137 0.247 8.743 -2.162 1.00 0.00 C ATOM 173 C ARG A 137 -1.170 8.191 -2.125 1.00 0.00 C ATOM 174 O ARG A 137 -2.056 8.769 -1.496 1.00 0.00 O ATOM 175 CB ARG A 137 0.584 9.197 -3.581 1.00 0.00 C ATOM 176 CG ARG A 137 -0.337 10.288 -4.104 1.00 0.00 C ATOM 177 CD ARG A 137 0.376 11.629 -4.193 1.00 0.00 C ATOM 178 NE ARG A 137 -0.562 12.741 -4.325 1.00 0.00 N ATOM 179 CZ ARG A 137 -0.189 14.012 -4.462 1.00 0.00 C ATOM 180 NH1 ARG A 137 1.097 14.336 -4.486 1.00 0.00 N ATOM 181 NH2 ARG A 137 -1.107 14.962 -4.577 1.00 0.00 N ATOM 0 H ARG A 137 1.917 7.501 -2.395 1.00 0.00 H new ATOM 0 HA ARG A 137 0.309 9.598 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.612 9.559 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.533 8.338 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.711 10.008 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.203 10.379 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.987 11.774 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.054 11.623 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.560 12.532 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 137 1.808 13.609 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 137 1.375 15.312 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.097 14.719 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -0.823 15.936 -4.682 1.00 0.00 H new ATOM 195 N LEU A 138 -1.380 7.068 -2.804 1.00 0.00 N ATOM 196 CA LEU A 138 -2.686 6.444 -2.845 1.00 0.00 C ATOM 197 C LEU A 138 -3.117 6.011 -1.450 1.00 0.00 C ATOM 198 O LEU A 138 -4.273 6.169 -1.075 1.00 0.00 O ATOM 199 CB LEU A 138 -2.657 5.246 -3.789 1.00 0.00 C ATOM 200 CG LEU A 138 -1.788 4.086 -3.330 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.550 3.200 -2.362 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.316 3.286 -4.528 1.00 0.00 C ATOM 0 H LEU A 138 -0.659 6.576 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.411 7.169 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.676 4.885 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.305 5.580 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.916 4.485 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.912 2.375 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.848 3.784 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.438 2.803 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.694 2.457 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.179 2.896 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.735 3.929 -5.189 1.00 0.00 H new ATOM 214 N ALA A 139 -2.178 5.461 -0.683 1.00 0.00 N ATOM 215 CA ALA A 139 -2.471 5.009 0.673 1.00 0.00 C ATOM 216 C ALA A 139 -3.023 6.152 1.517 1.00 0.00 C ATOM 217 O ALA A 139 -3.946 5.963 2.312 1.00 0.00 O ATOM 218 CB ALA A 139 -1.221 4.429 1.317 1.00 0.00 C ATOM 0 H ALA A 139 -1.212 5.318 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.230 4.229 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.454 4.096 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.868 3.582 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.444 5.193 1.357 1.00 0.00 H new ATOM 224 N LYS A 140 -2.455 7.338 1.333 1.00 0.00 N ATOM 225 CA LYS A 140 -2.888 8.517 2.072 1.00 0.00 C ATOM 226 C LYS A 140 -4.199 9.059 1.510 1.00 0.00 C ATOM 227 O LYS A 140 -5.001 9.644 2.238 1.00 0.00 O ATOM 228 CB LYS A 140 -1.810 9.601 2.020 1.00 0.00 C ATOM 229 CG LYS A 140 -2.084 10.777 2.946 1.00 0.00 C ATOM 230 CD LYS A 140 -2.156 12.088 2.180 1.00 0.00 C ATOM 231 CE LYS A 140 -3.485 12.241 1.459 1.00 0.00 C ATOM 232 NZ LYS A 140 -3.608 13.569 0.796 1.00 0.00 N ATOM 0 H LYS A 140 -1.692 7.508 0.677 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.051 8.226 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -0.849 9.159 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.724 9.967 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.022 10.613 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.299 10.838 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.017 12.921 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.342 12.133 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.586 11.452 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.301 12.114 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.528 13.633 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.537 14.322 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.845 13.681 0.098 1.00 0.00 H new ATOM 246 N GLU A 141 -4.413 8.860 0.212 1.00 0.00 N ATOM 247 CA GLU A 141 -5.630 9.330 -0.441 1.00 0.00 C ATOM 248 C GLU A 141 -6.787 8.361 -0.201 1.00 0.00 C ATOM 249 O GLU A 141 -7.955 8.748 -0.252 1.00 0.00 O ATOM 250 CB GLU A 141 -5.393 9.504 -1.944 1.00 0.00 C ATOM 251 CG GLU A 141 -6.622 9.976 -2.704 1.00 0.00 C ATOM 252 CD GLU A 141 -6.905 11.450 -2.494 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.954 12.256 -2.577 1.00 0.00 O ATOM 254 OE2 GLU A 141 -8.079 11.800 -2.247 1.00 0.00 O ATOM 0 H GLU A 141 -3.761 8.378 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.895 10.295 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.585 10.220 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.060 8.555 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.483 9.784 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.487 9.394 -2.386 1.00 0.00 H new ATOM 261 N LEU A 142 -6.452 7.103 0.059 1.00 0.00 N ATOM 262 CA LEU A 142 -7.448 6.073 0.306 1.00 0.00 C ATOM 263 C LEU A 142 -7.784 5.993 1.792 1.00 0.00 C ATOM 264 O LEU A 142 -8.898 5.628 2.169 1.00 0.00 O ATOM 265 CB LEU A 142 -6.927 4.723 -0.186 1.00 0.00 C ATOM 266 CG LEU A 142 -6.982 4.522 -1.703 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.692 3.895 -2.210 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.179 3.664 -2.081 1.00 0.00 C ATOM 0 H LEU A 142 -5.488 6.772 0.104 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.357 6.329 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.895 4.607 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.505 3.932 0.291 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.094 5.498 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.753 3.761 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.852 4.548 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.546 2.926 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.204 3.530 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.096 2.691 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.096 4.155 -1.755 1.00 0.00 H new ATOM 280 N GLY A 143 -6.814 6.345 2.631 1.00 0.00 N ATOM 281 CA GLY A 143 -7.027 6.314 4.065 1.00 0.00 C ATOM 282 C GLY A 143 -6.667 4.979 4.688 1.00 0.00 C ATOM 283 O GLY A 143 -7.257 4.580 5.691 1.00 0.00 O ATOM 0 H GLY A 143 -5.885 6.651 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.432 7.099 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.073 6.537 4.277 1.00 0.00 H new ATOM 287 N ILE A 144 -5.695 4.287 4.100 1.00 0.00 N ATOM 288 CA ILE A 144 -5.267 2.993 4.621 1.00 0.00 C ATOM 289 C ILE A 144 -3.870 3.073 5.224 1.00 0.00 C ATOM 290 O ILE A 144 -3.014 3.815 4.741 1.00 0.00 O ATOM 291 CB ILE A 144 -5.275 1.895 3.535 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.132 0.520 4.198 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.161 2.131 2.516 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.765 -0.600 3.246 1.00 0.00 C ATOM 0 H ILE A 144 -5.192 4.598 3.269 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.987 2.727 5.395 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.223 1.931 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.371 0.583 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.071 0.268 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.186 1.345 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.305 3.099 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.196 2.117 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.685 -1.536 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.536 -0.695 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.810 -0.376 2.772 1.00 0.00 H new ATOM 306 N ASP A 145 -3.642 2.292 6.273 1.00 0.00 N ATOM 307 CA ASP A 145 -2.344 2.262 6.928 1.00 0.00 C ATOM 308 C ASP A 145 -1.378 1.403 6.123 1.00 0.00 C ATOM 309 O ASP A 145 -1.422 0.175 6.195 1.00 0.00 O ATOM 310 CB ASP A 145 -2.477 1.702 8.346 1.00 0.00 C ATOM 311 CG ASP A 145 -1.711 2.521 9.366 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.583 3.747 9.168 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.241 1.937 10.365 1.00 0.00 O ATOM 0 H ASP A 145 -4.339 1.673 6.686 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.958 3.280 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.530 1.673 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.114 0.674 8.363 1.00 0.00 H new ATOM 318 N ALA A 146 -0.510 2.048 5.351 1.00 0.00 N ATOM 319 CA ALA A 146 0.455 1.327 4.532 1.00 0.00 C ATOM 320 C ALA A 146 1.198 0.281 5.355 1.00 0.00 C ATOM 321 O ALA A 146 1.562 -0.780 4.845 1.00 0.00 O ATOM 322 CB ALA A 146 1.430 2.295 3.882 1.00 0.00 C ATOM 0 H ALA A 146 -0.455 3.064 5.276 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.090 0.807 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 146 2.144 1.739 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.882 2.994 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.965 2.847 4.655 1.00 0.00 H new ATOM 328 N SER A 147 1.406 0.575 6.635 1.00 0.00 N ATOM 329 CA SER A 147 2.087 -0.356 7.526 1.00 0.00 C ATOM 330 C SER A 147 1.267 -1.627 7.672 1.00 0.00 C ATOM 331 O SER A 147 1.814 -2.726 7.770 1.00 0.00 O ATOM 332 CB SER A 147 2.329 0.284 8.894 1.00 0.00 C ATOM 333 OG SER A 147 1.436 1.362 9.119 1.00 0.00 O ATOM 0 H SER A 147 1.114 1.447 7.076 1.00 0.00 H new ATOM 0 HA SER A 147 3.055 -0.608 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.204 -0.465 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.357 0.641 8.955 1.00 0.00 H new ATOM 0 HG SER A 147 0.657 1.042 9.621 1.00 0.00 H new ATOM 339 N LYS A 148 -0.053 -1.474 7.650 1.00 0.00 N ATOM 340 CA LYS A 148 -0.949 -2.613 7.743 1.00 0.00 C ATOM 341 C LYS A 148 -0.906 -3.392 6.428 1.00 0.00 C ATOM 342 O LYS A 148 -1.252 -4.572 6.372 1.00 0.00 O ATOM 343 CB LYS A 148 -2.371 -2.143 8.085 1.00 0.00 C ATOM 344 CG LYS A 148 -3.290 -1.996 6.887 1.00 0.00 C ATOM 345 CD LYS A 148 -3.898 -3.332 6.511 1.00 0.00 C ATOM 346 CE LYS A 148 -5.335 -3.448 6.991 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.466 -3.121 8.438 1.00 0.00 N ATOM 0 H LYS A 148 -0.522 -0.572 7.569 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.628 -3.277 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.816 -2.851 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.309 -1.184 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.081 -1.282 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.732 -1.594 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.864 -3.456 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -3.304 -4.137 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.967 -2.778 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.696 -4.461 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.426 -3.357 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.771 -3.671 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -5.293 -2.106 8.582 1.00 0.00 H new ATOM 361 N VAL A 149 -0.450 -2.712 5.377 1.00 0.00 N ATOM 362 CA VAL A 149 -0.322 -3.309 4.057 1.00 0.00 C ATOM 363 C VAL A 149 1.101 -3.827 3.852 1.00 0.00 C ATOM 364 O VAL A 149 1.965 -3.111 3.349 1.00 0.00 O ATOM 365 CB VAL A 149 -0.662 -2.280 2.958 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.288 -2.794 1.576 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.137 -1.919 3.013 1.00 0.00 C ATOM 0 H VAL A 149 -0.161 -1.735 5.421 1.00 0.00 H new ATOM 0 HA VAL A 149 -1.024 -4.140 3.988 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.072 -1.383 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.542 -2.043 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.783 -2.995 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.837 -3.713 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.363 -1.192 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.737 -2.816 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.370 -1.489 3.987 1.00 0.00 H new ATOM 377 N LYS A 150 1.337 -5.072 4.255 1.00 0.00 N ATOM 378 CA LYS A 150 2.656 -5.687 4.129 1.00 0.00 C ATOM 379 C LYS A 150 3.205 -5.541 2.713 1.00 0.00 C ATOM 380 O LYS A 150 2.839 -6.294 1.811 1.00 0.00 O ATOM 381 CB LYS A 150 2.580 -7.166 4.504 1.00 0.00 C ATOM 382 CG LYS A 150 3.929 -7.862 4.516 1.00 0.00 C ATOM 383 CD LYS A 150 3.975 -8.960 5.567 1.00 0.00 C ATOM 384 CE LYS A 150 3.940 -10.342 4.935 1.00 0.00 C ATOM 385 NZ LYS A 150 5.121 -10.583 4.061 1.00 0.00 N ATOM 0 H LYS A 150 0.630 -5.677 4.673 1.00 0.00 H new ATOM 0 HA LYS A 150 3.333 -5.171 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.124 -7.259 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.923 -7.677 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.130 -8.288 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.715 -7.133 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.881 -8.855 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.131 -8.849 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.908 -11.099 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.027 -10.450 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.330 -11.601 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 4.916 -10.245 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.943 -10.071 4.439 1.00 0.00 H new ATOM 399 N GLY A 151 4.083 -4.560 2.530 1.00 0.00 N ATOM 400 CA GLY A 151 4.673 -4.319 1.228 1.00 0.00 C ATOM 401 C GLY A 151 5.758 -5.314 0.872 1.00 0.00 C ATOM 402 O GLY A 151 6.561 -5.701 1.722 1.00 0.00 O ATOM 0 H GLY A 151 4.397 -3.926 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.891 -4.357 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.090 -3.312 1.206 1.00 0.00 H new ATOM 406 N THR A 152 5.786 -5.726 -0.393 1.00 0.00 N ATOM 407 CA THR A 152 6.784 -6.681 -0.870 1.00 0.00 C ATOM 408 C THR A 152 7.656 -6.063 -1.967 1.00 0.00 C ATOM 409 O THR A 152 8.386 -6.771 -2.661 1.00 0.00 O ATOM 410 CB THR A 152 6.104 -7.961 -1.383 1.00 0.00 C ATOM 411 OG1 THR A 152 6.411 -8.198 -2.747 1.00 0.00 O ATOM 412 CG2 THR A 152 4.595 -7.937 -1.258 1.00 0.00 C ATOM 0 H THR A 152 5.128 -5.413 -1.107 1.00 0.00 H new ATOM 0 HA THR A 152 7.429 -6.941 -0.031 1.00 0.00 H new ATOM 0 HB THR A 152 6.497 -8.754 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.384 -8.204 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.183 -8.872 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.319 -7.819 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.195 -7.103 -1.835 1.00 0.00 H new ATOM 420 N GLY A 153 7.573 -4.745 -2.123 1.00 0.00 N ATOM 421 CA GLY A 153 8.357 -4.071 -3.140 1.00 0.00 C ATOM 422 C GLY A 153 9.843 -4.057 -2.826 1.00 0.00 C ATOM 423 O GLY A 153 10.235 -4.153 -1.662 1.00 0.00 O ATOM 0 H GLY A 153 6.978 -4.134 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.198 -4.563 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.003 -3.045 -3.245 1.00 0.00 H new ATOM 427 N PRO A 154 10.701 -3.930 -3.857 1.00 0.00 N ATOM 428 CA PRO A 154 12.160 -3.905 -3.689 1.00 0.00 C ATOM 429 C PRO A 154 12.609 -3.012 -2.539 1.00 0.00 C ATOM 430 O PRO A 154 12.583 -1.787 -2.642 1.00 0.00 O ATOM 431 CB PRO A 154 12.650 -3.348 -5.024 1.00 0.00 C ATOM 432 CG PRO A 154 11.626 -3.791 -6.010 1.00 0.00 C ATOM 433 CD PRO A 154 10.311 -3.795 -5.275 1.00 0.00 C ATOM 0 HA PRO A 154 12.558 -4.889 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.730 -2.261 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.638 -3.734 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.592 -3.117 -6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.860 -4.783 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.752 -2.876 -5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.676 -4.621 -5.596 1.00 0.00 H new ATOM 441 N GLY A 155 13.021 -3.639 -1.444 1.00 0.00 N ATOM 442 CA GLY A 155 13.469 -2.891 -0.284 1.00 0.00 C ATOM 443 C GLY A 155 12.383 -2.758 0.764 1.00 0.00 C ATOM 444 O GLY A 155 12.435 -1.869 1.614 1.00 0.00 O ATOM 0 H GLY A 155 13.053 -4.653 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.335 -3.387 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.794 -1.899 -0.597 1.00 0.00 H new ATOM 448 N GLY A 156 11.393 -3.644 0.700 1.00 0.00 N ATOM 449 CA GLY A 156 10.303 -3.606 1.652 1.00 0.00 C ATOM 450 C GLY A 156 9.335 -2.471 1.386 1.00 0.00 C ATOM 451 O GLY A 156 8.618 -2.043 2.290 1.00 0.00 O ATOM 0 H GLY A 156 11.329 -4.387 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.764 -4.553 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.708 -3.504 2.659 1.00 0.00 H new ATOM 455 N VAL A 157 9.311 -1.970 0.151 1.00 0.00 N ATOM 456 CA VAL A 157 8.417 -0.873 -0.189 1.00 0.00 C ATOM 457 C VAL A 157 7.046 -1.395 -0.591 1.00 0.00 C ATOM 458 O VAL A 157 6.927 -2.207 -1.507 1.00 0.00 O ATOM 459 CB VAL A 157 8.982 0.029 -1.327 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.467 -0.191 -1.539 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.237 -0.175 -2.642 1.00 0.00 C ATOM 0 H VAL A 157 9.893 -2.303 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 157 8.328 -0.262 0.709 1.00 0.00 H new ATOM 0 HB VAL A 157 8.828 1.058 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.820 0.457 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.004 0.043 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.646 -1.232 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.664 0.474 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.330 -1.215 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.184 0.070 -2.505 1.00 0.00 H new ATOM 471 N ILE A 158 6.003 -0.910 0.074 1.00 0.00 N ATOM 472 CA ILE A 158 4.658 -1.331 -0.270 1.00 0.00 C ATOM 473 C ILE A 158 4.350 -0.876 -1.685 1.00 0.00 C ATOM 474 O ILE A 158 4.272 0.317 -1.968 1.00 0.00 O ATOM 475 CB ILE A 158 3.601 -0.792 0.718 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.525 0.733 0.682 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.915 -1.265 2.130 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.213 1.267 1.209 1.00 0.00 C ATOM 0 H ILE A 158 6.064 -0.238 0.839 1.00 0.00 H new ATOM 0 HA ILE A 158 4.612 -2.418 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 158 2.630 -1.183 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.343 1.147 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.666 1.075 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.163 -0.879 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.908 -2.355 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.899 -0.901 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.217 2.356 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.393 0.879 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.081 0.952 2.244 1.00 0.00 H new ATOM 490 N THR A 159 4.230 -1.834 -2.589 1.00 0.00 N ATOM 491 CA THR A 159 3.986 -1.513 -3.981 1.00 0.00 C ATOM 492 C THR A 159 2.550 -1.084 -4.217 1.00 0.00 C ATOM 493 O THR A 159 1.646 -1.408 -3.448 1.00 0.00 O ATOM 494 CB THR A 159 4.360 -2.695 -4.871 1.00 0.00 C ATOM 495 OG1 THR A 159 3.642 -3.857 -4.499 1.00 0.00 O ATOM 496 CG2 THR A 159 5.836 -3.020 -4.812 1.00 0.00 C ATOM 0 H THR A 159 4.297 -2.831 -2.385 1.00 0.00 H new ATOM 0 HA THR A 159 4.619 -0.666 -4.244 1.00 0.00 H new ATOM 0 HB THR A 159 4.103 -2.395 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.148 -4.350 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.048 -3.868 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.412 -2.156 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.113 -3.271 -3.788 1.00 0.00 H new ATOM 504 N VAL A 160 2.355 -0.334 -5.288 1.00 0.00 N ATOM 505 CA VAL A 160 1.034 0.166 -5.640 1.00 0.00 C ATOM 506 C VAL A 160 0.035 -0.973 -5.752 1.00 0.00 C ATOM 507 O VAL A 160 -1.098 -0.873 -5.284 1.00 0.00 O ATOM 508 CB VAL A 160 1.043 0.958 -6.962 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.146 2.161 -6.821 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.449 1.392 -7.356 1.00 0.00 C ATOM 0 H VAL A 160 3.096 -0.056 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 160 0.736 0.840 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 160 0.675 0.307 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.147 2.727 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.869 1.834 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.511 2.794 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.409 1.947 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.866 2.028 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.080 0.512 -7.482 1.00 0.00 H new ATOM 520 N GLU A 161 0.474 -2.062 -6.360 1.00 0.00 N ATOM 521 CA GLU A 161 -0.365 -3.238 -6.527 1.00 0.00 C ATOM 522 C GLU A 161 -0.719 -3.823 -5.168 1.00 0.00 C ATOM 523 O GLU A 161 -1.760 -4.459 -5.003 1.00 0.00 O ATOM 524 CB GLU A 161 0.350 -4.288 -7.380 1.00 0.00 C ATOM 525 CG GLU A 161 -0.589 -5.093 -8.265 1.00 0.00 C ATOM 526 CD GLU A 161 -0.342 -6.586 -8.171 1.00 0.00 C ATOM 527 OE1 GLU A 161 0.791 -7.020 -8.465 1.00 0.00 O ATOM 528 OE2 GLU A 161 -1.284 -7.321 -7.805 1.00 0.00 O ATOM 0 H GLU A 161 1.412 -2.157 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.282 -2.942 -7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.091 -3.792 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.892 -4.970 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.620 -4.881 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.470 -4.773 -9.300 1.00 0.00 H new ATOM 535 N ASP A 162 0.160 -3.599 -4.197 1.00 0.00 N ATOM 536 CA ASP A 162 -0.048 -4.096 -2.845 1.00 0.00 C ATOM 537 C ASP A 162 -1.167 -3.326 -2.154 1.00 0.00 C ATOM 538 O ASP A 162 -2.085 -3.916 -1.582 1.00 0.00 O ATOM 539 CB ASP A 162 1.240 -3.974 -2.028 1.00 0.00 C ATOM 540 CG ASP A 162 2.294 -4.985 -2.435 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.923 -6.039 -2.993 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.492 -4.720 -2.196 1.00 0.00 O ATOM 0 H ASP A 162 1.026 -3.074 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.332 -5.146 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.644 -2.968 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.008 -4.104 -0.971 1.00 0.00 H new ATOM 547 N VAL A 163 -1.084 -2.001 -2.208 1.00 0.00 N ATOM 548 CA VAL A 163 -2.095 -1.155 -1.579 1.00 0.00 C ATOM 549 C VAL A 163 -3.415 -1.233 -2.340 1.00 0.00 C ATOM 550 O VAL A 163 -4.487 -1.289 -1.739 1.00 0.00 O ATOM 551 CB VAL A 163 -1.674 0.332 -1.489 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.981 0.895 -0.108 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.208 0.544 -1.832 1.00 0.00 C ATOM 0 H VAL A 163 -0.334 -1.492 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.210 -1.539 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.260 0.871 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.677 1.941 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.051 0.819 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.435 0.328 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.035 1.604 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.414 -0.023 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -0.020 0.203 -2.850 1.00 0.00 H new ATOM 563 N LYS A 164 -3.332 -1.225 -3.671 1.00 0.00 N ATOM 564 CA LYS A 164 -4.522 -1.285 -4.511 1.00 0.00 C ATOM 565 C LYS A 164 -5.297 -2.577 -4.273 1.00 0.00 C ATOM 566 O LYS A 164 -6.509 -2.555 -4.060 1.00 0.00 O ATOM 567 CB LYS A 164 -4.136 -1.139 -5.991 1.00 0.00 C ATOM 568 CG LYS A 164 -4.253 -2.419 -6.800 1.00 0.00 C ATOM 569 CD LYS A 164 -3.895 -2.194 -8.261 1.00 0.00 C ATOM 570 CE LYS A 164 -4.748 -3.051 -9.182 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.848 -2.269 -9.810 1.00 0.00 N ATOM 0 H LYS A 164 -2.453 -1.178 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.175 -0.455 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.770 -0.377 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.109 -0.778 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.596 -3.179 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.271 -2.803 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.031 -1.142 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.842 -2.426 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.119 -3.483 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -5.170 -3.882 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -6.406 -2.890 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -6.463 -1.878 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.445 -1.492 -10.371 1.00 0.00 H new