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 172:sc= -4.37! (180deg=-4.44) USER MOD Single : A 140 LYS NZ :NH3+ 161:sc= -0.0303 (180deg=-0.264) USER MOD Single : A 147 SER OG : rot 83:sc= 0.121 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 157:sc= -0.0506 (180deg=-0.297) USER MOD Single : A 152 THR OG1 : rot 57:sc= 1.05 USER MOD Single : A 159 THR OG1 : rot -94:sc= -0.585 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.417 0.138 4.195 1.00 0.00 N ATOM 77 CA ALA A 130 9.481 1.020 3.040 1.00 0.00 C ATOM 78 C ALA A 130 8.105 1.198 2.413 1.00 0.00 C ATOM 79 O ALA A 130 7.263 0.301 2.467 1.00 0.00 O ATOM 80 CB ALA A 130 10.464 0.483 2.009 1.00 0.00 C ATOM 0 HA ALA A 130 9.830 1.994 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.498 1.157 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.456 0.413 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.143 -0.505 1.680 1.00 0.00 H new ATOM 86 N ALA A 131 7.890 2.358 1.812 1.00 0.00 N ATOM 87 CA ALA A 131 6.624 2.660 1.160 1.00 0.00 C ATOM 88 C ALA A 131 6.830 3.631 0.003 1.00 0.00 C ATOM 89 O ALA A 131 6.866 4.844 0.203 1.00 0.00 O ATOM 90 CB ALA A 131 5.635 3.233 2.164 1.00 0.00 C ATOM 0 H ALA A 131 8.579 3.109 1.762 1.00 0.00 H new ATOM 0 HA ALA A 131 6.216 1.732 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.693 3.454 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.461 2.507 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.041 4.149 2.592 1.00 0.00 H new ATOM 96 N MET A 132 6.974 3.093 -1.209 1.00 0.00 N ATOM 97 CA MET A 132 7.184 3.929 -2.391 1.00 0.00 C ATOM 98 C MET A 132 6.193 5.098 -2.421 1.00 0.00 C ATOM 99 O MET A 132 5.230 5.123 -1.654 1.00 0.00 O ATOM 100 CB MET A 132 7.075 3.089 -3.669 1.00 0.00 C ATOM 101 CG MET A 132 5.781 2.299 -3.786 1.00 0.00 C ATOM 102 SD MET A 132 5.560 1.577 -5.423 1.00 0.00 S ATOM 103 CE MET A 132 6.875 0.363 -5.439 1.00 0.00 C ATOM 0 H MET A 132 6.949 2.091 -1.397 1.00 0.00 H new ATOM 0 HA MET A 132 8.190 4.346 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.165 3.748 -4.533 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.916 2.396 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.774 1.506 -3.038 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.938 2.953 -3.564 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.782 -0.263 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.839 0.871 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.806 -0.260 -4.547 1.00 0.00 H new ATOM 113 N PRO A 133 6.430 6.095 -3.294 1.00 0.00 N ATOM 114 CA PRO A 133 5.569 7.282 -3.404 1.00 0.00 C ATOM 115 C PRO A 133 4.171 6.959 -3.919 1.00 0.00 C ATOM 116 O PRO A 133 3.173 7.405 -3.353 1.00 0.00 O ATOM 117 CB PRO A 133 6.307 8.182 -4.407 1.00 0.00 C ATOM 118 CG PRO A 133 7.690 7.628 -4.490 1.00 0.00 C ATOM 119 CD PRO A 133 7.559 6.158 -4.232 1.00 0.00 C ATOM 0 HA PRO A 133 5.411 7.743 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.819 8.168 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.318 9.219 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.128 7.815 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.344 8.097 -3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.356 5.603 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.468 5.740 -3.800 1.00 0.00 H new ATOM 127 N ALA A 134 4.105 6.190 -4.997 1.00 0.00 N ATOM 128 CA ALA A 134 2.829 5.816 -5.594 1.00 0.00 C ATOM 129 C ALA A 134 1.903 5.169 -4.567 1.00 0.00 C ATOM 130 O ALA A 134 0.739 5.556 -4.432 1.00 0.00 O ATOM 131 CB ALA A 134 3.065 4.877 -6.768 1.00 0.00 C ATOM 0 H ALA A 134 4.922 5.812 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 134 2.340 6.721 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.108 4.600 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.680 5.377 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.576 3.980 -6.419 1.00 0.00 H new ATOM 137 N ALA A 135 2.428 4.185 -3.846 1.00 0.00 N ATOM 138 CA ALA A 135 1.655 3.480 -2.832 1.00 0.00 C ATOM 139 C ALA A 135 1.372 4.380 -1.637 1.00 0.00 C ATOM 140 O ALA A 135 0.310 4.295 -1.019 1.00 0.00 O ATOM 141 CB ALA A 135 2.391 2.225 -2.396 1.00 0.00 C ATOM 0 H ALA A 135 3.389 3.857 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 135 0.697 3.193 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.806 1.705 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.535 1.571 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.361 2.498 -1.981 1.00 0.00 H new ATOM 147 N ARG A 136 2.324 5.247 -1.324 1.00 0.00 N ATOM 148 CA ARG A 136 2.179 6.175 -0.212 1.00 0.00 C ATOM 149 C ARG A 136 1.088 7.192 -0.510 1.00 0.00 C ATOM 150 O ARG A 136 0.211 7.451 0.315 1.00 0.00 O ATOM 151 CB ARG A 136 3.500 6.899 0.036 1.00 0.00 C ATOM 152 CG ARG A 136 4.350 6.261 1.120 1.00 0.00 C ATOM 153 CD ARG A 136 4.170 6.961 2.460 1.00 0.00 C ATOM 154 NE ARG A 136 3.556 6.087 3.456 1.00 0.00 N ATOM 155 CZ ARG A 136 3.639 6.287 4.770 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.307 7.329 5.250 1.00 0.00 N ATOM 157 NH2 ARG A 136 3.051 5.443 5.607 1.00 0.00 N ATOM 0 H ARG A 136 3.208 5.327 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 136 1.902 5.611 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.070 6.925 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.292 7.933 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.083 5.209 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.400 6.297 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.139 7.301 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.551 7.848 2.325 1.00 0.00 H new ATOM 0 HE ARG A 136 3.033 5.276 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 136 4.761 7.982 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.367 7.476 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.535 4.641 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.114 5.596 6.614 1.00 0.00 H new ATOM 171 N ARG A 137 1.157 7.763 -1.704 1.00 0.00 N ATOM 172 CA ARG A 137 0.189 8.759 -2.141 1.00 0.00 C ATOM 173 C ARG A 137 -1.224 8.194 -2.118 1.00 0.00 C ATOM 174 O ARG A 137 -2.115 8.749 -1.474 1.00 0.00 O ATOM 175 CB ARG A 137 0.529 9.241 -3.551 1.00 0.00 C ATOM 176 CG ARG A 137 -0.298 10.435 -4.000 1.00 0.00 C ATOM 177 CD ARG A 137 0.304 11.744 -3.514 1.00 0.00 C ATOM 178 NE ARG A 137 -0.013 12.857 -4.406 1.00 0.00 N ATOM 179 CZ ARG A 137 -1.179 13.498 -4.404 1.00 0.00 C ATOM 180 NH1 ARG A 137 -2.141 13.140 -3.562 1.00 0.00 N ATOM 181 NH2 ARG A 137 -1.386 14.501 -5.247 1.00 0.00 N ATOM 0 H ARG A 137 1.879 7.551 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 137 0.236 9.601 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.586 9.505 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.379 8.421 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.363 10.445 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.315 10.338 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.068 11.964 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.386 11.639 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 137 0.701 13.160 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.989 12.369 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -3.032 13.636 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.651 14.781 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.280 14.992 -5.245 1.00 0.00 H new ATOM 195 N LEU A 138 -1.425 7.086 -2.824 1.00 0.00 N ATOM 196 CA LEU A 138 -2.725 6.452 -2.881 1.00 0.00 C ATOM 197 C LEU A 138 -3.168 6.007 -1.494 1.00 0.00 C ATOM 198 O LEU A 138 -4.327 6.161 -1.132 1.00 0.00 O ATOM 199 CB LEU A 138 -2.673 5.259 -3.831 1.00 0.00 C ATOM 200 CG LEU A 138 -1.807 4.102 -3.359 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.584 3.210 -2.409 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.306 3.308 -4.550 1.00 0.00 C ATOM 0 H LEU A 138 -0.700 6.613 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.452 7.174 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.688 4.894 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.304 5.599 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.947 4.503 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.949 2.387 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.902 3.790 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.460 2.811 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.687 2.481 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.155 2.915 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.715 3.956 -5.197 1.00 0.00 H new ATOM 214 N ALA A 139 -2.239 5.452 -0.721 1.00 0.00 N ATOM 215 CA ALA A 139 -2.549 4.987 0.626 1.00 0.00 C ATOM 216 C ALA A 139 -3.134 6.116 1.467 1.00 0.00 C ATOM 217 O ALA A 139 -4.044 5.902 2.271 1.00 0.00 O ATOM 218 CB ALA A 139 -1.301 4.424 1.290 1.00 0.00 C ATOM 0 H ALA A 139 -1.269 5.314 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.294 4.195 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.547 4.081 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.923 3.587 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.538 5.200 1.348 1.00 0.00 H new ATOM 224 N LYS A 140 -2.604 7.321 1.270 1.00 0.00 N ATOM 225 CA LYS A 140 -3.068 8.493 2.002 1.00 0.00 C ATOM 226 C LYS A 140 -4.391 9.004 1.438 1.00 0.00 C ATOM 227 O LYS A 140 -5.218 9.549 2.168 1.00 0.00 O ATOM 228 CB LYS A 140 -2.014 9.602 1.945 1.00 0.00 C ATOM 229 CG LYS A 140 -2.299 10.761 2.888 1.00 0.00 C ATOM 230 CD LYS A 140 -1.024 11.285 3.527 1.00 0.00 C ATOM 231 CE LYS A 140 -1.321 12.087 4.785 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.799 11.220 5.896 1.00 0.00 N ATOM 0 H LYS A 140 -1.851 7.510 0.608 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.228 8.202 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.039 9.178 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.952 9.981 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.790 11.565 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.991 10.437 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.369 10.449 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.488 11.911 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.421 12.616 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.075 12.843 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.685 11.720 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -2.803 10.992 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.243 10.341 5.914 1.00 0.00 H new ATOM 246 N GLU A 141 -4.584 8.824 0.134 1.00 0.00 N ATOM 247 CA GLU A 141 -5.810 9.267 -0.525 1.00 0.00 C ATOM 248 C GLU A 141 -6.931 8.243 -0.345 1.00 0.00 C ATOM 249 O GLU A 141 -8.112 8.568 -0.464 1.00 0.00 O ATOM 250 CB GLU A 141 -5.551 9.510 -2.015 1.00 0.00 C ATOM 251 CG GLU A 141 -6.798 9.885 -2.801 1.00 0.00 C ATOM 252 CD GLU A 141 -6.521 10.073 -4.279 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.983 11.137 -4.652 1.00 0.00 O ATOM 254 OE2 GLU A 141 -6.843 9.158 -5.064 1.00 0.00 O ATOM 0 H GLU A 141 -3.909 8.376 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.126 10.202 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.813 10.305 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.115 8.611 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.551 9.108 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.217 10.805 -2.394 1.00 0.00 H new ATOM 261 N LEU A 142 -6.544 7.005 -0.062 1.00 0.00 N ATOM 262 CA LEU A 142 -7.493 5.920 0.135 1.00 0.00 C ATOM 263 C LEU A 142 -7.832 5.763 1.613 1.00 0.00 C ATOM 264 O LEU A 142 -8.918 5.307 1.969 1.00 0.00 O ATOM 265 CB LEU A 142 -6.901 4.612 -0.394 1.00 0.00 C ATOM 266 CG LEU A 142 -7.043 4.397 -1.903 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.746 3.861 -2.494 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.196 3.450 -2.194 1.00 0.00 C ATOM 0 H LEU A 142 -5.568 6.727 0.037 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.406 6.157 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.842 4.580 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.380 3.780 0.122 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.257 5.358 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.868 3.715 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.942 4.575 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.498 2.909 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.286 3.306 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.008 2.490 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.122 3.874 -1.806 1.00 0.00 H new ATOM 280 N GLY A 143 -6.886 6.138 2.469 1.00 0.00 N ATOM 281 CA GLY A 143 -7.092 6.024 3.898 1.00 0.00 C ATOM 282 C GLY A 143 -6.871 4.611 4.388 1.00 0.00 C ATOM 283 O GLY A 143 -7.631 4.101 5.211 1.00 0.00 O ATOM 0 H GLY A 143 -5.980 6.519 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.412 6.699 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.106 6.340 4.145 1.00 0.00 H new ATOM 287 N ILE A 144 -5.825 3.974 3.872 1.00 0.00 N ATOM 288 CA ILE A 144 -5.501 2.607 4.249 1.00 0.00 C ATOM 289 C ILE A 144 -4.131 2.537 4.921 1.00 0.00 C ATOM 290 O ILE A 144 -3.137 3.021 4.378 1.00 0.00 O ATOM 291 CB ILE A 144 -5.531 1.674 3.017 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.834 0.233 3.442 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.225 1.757 2.233 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.607 -0.582 3.795 1.00 0.00 C ATOM 0 H ILE A 144 -5.187 4.385 3.190 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.256 2.272 4.960 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.331 2.007 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.503 0.253 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.368 -0.267 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.274 1.090 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.070 2.780 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.396 1.460 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.910 -1.588 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.945 -0.637 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.082 -0.108 4.624 1.00 0.00 H new ATOM 306 N ASP A 145 -4.084 1.936 6.103 1.00 0.00 N ATOM 307 CA ASP A 145 -2.832 1.808 6.841 1.00 0.00 C ATOM 308 C ASP A 145 -1.791 1.067 6.008 1.00 0.00 C ATOM 309 O ASP A 145 -1.820 -0.159 5.909 1.00 0.00 O ATOM 310 CB ASP A 145 -3.065 1.071 8.161 1.00 0.00 C ATOM 311 CG ASP A 145 -2.369 1.741 9.329 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.424 2.985 9.419 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.769 1.021 10.155 1.00 0.00 O ATOM 0 H ASP A 145 -4.895 1.530 6.571 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.459 2.809 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.135 1.019 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.708 0.045 8.069 1.00 0.00 H new ATOM 318 N ALA A 146 -0.871 1.819 5.411 1.00 0.00 N ATOM 319 CA ALA A 146 0.177 1.227 4.589 1.00 0.00 C ATOM 320 C ALA A 146 0.992 0.218 5.387 1.00 0.00 C ATOM 321 O ALA A 146 1.340 -0.850 4.886 1.00 0.00 O ATOM 322 CB ALA A 146 1.079 2.309 4.016 1.00 0.00 C ATOM 0 H ALA A 146 -0.831 2.836 5.481 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.298 0.698 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.856 1.849 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.488 2.988 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.541 2.867 4.831 1.00 0.00 H new ATOM 328 N SER A 147 1.288 0.557 6.640 1.00 0.00 N ATOM 329 CA SER A 147 2.054 -0.333 7.505 1.00 0.00 C ATOM 330 C SER A 147 1.380 -1.694 7.587 1.00 0.00 C ATOM 331 O SER A 147 2.016 -2.725 7.373 1.00 0.00 O ATOM 332 CB SER A 147 2.202 0.272 8.903 1.00 0.00 C ATOM 333 OG SER A 147 1.168 1.202 9.169 1.00 0.00 O ATOM 0 H SER A 147 1.010 1.436 7.076 1.00 0.00 H new ATOM 0 HA SER A 147 3.049 -0.459 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.182 -0.522 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.170 0.766 8.988 1.00 0.00 H new ATOM 0 HG SER A 147 0.368 0.724 9.471 1.00 0.00 H new ATOM 339 N LYS A 148 0.080 -1.691 7.869 1.00 0.00 N ATOM 340 CA LYS A 148 -0.676 -2.932 7.941 1.00 0.00 C ATOM 341 C LYS A 148 -0.542 -3.683 6.617 1.00 0.00 C ATOM 342 O LYS A 148 -0.591 -4.913 6.575 1.00 0.00 O ATOM 343 CB LYS A 148 -2.145 -2.644 8.283 1.00 0.00 C ATOM 344 CG LYS A 148 -3.089 -2.691 7.095 1.00 0.00 C ATOM 345 CD LYS A 148 -3.531 -4.115 6.814 1.00 0.00 C ATOM 346 CE LYS A 148 -4.885 -4.412 7.439 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.897 -5.725 8.141 1.00 0.00 N ATOM 0 H LYS A 148 -0.466 -0.849 8.050 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.276 -3.561 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.480 -3.367 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.211 -1.659 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.961 -2.067 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.595 -2.279 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.583 -4.275 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.789 -4.811 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.141 -3.621 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.651 -4.408 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.838 -5.890 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.678 -6.483 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.184 -5.721 8.898 1.00 0.00 H new ATOM 361 N VAL A 149 -0.342 -2.922 5.541 1.00 0.00 N ATOM 362 CA VAL A 149 -0.163 -3.491 4.214 1.00 0.00 C ATOM 363 C VAL A 149 1.292 -3.913 4.024 1.00 0.00 C ATOM 364 O VAL A 149 2.104 -3.148 3.511 1.00 0.00 O ATOM 365 CB VAL A 149 -0.553 -2.475 3.117 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.113 -2.950 1.738 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.051 -2.215 3.142 1.00 0.00 C ATOM 0 H VAL A 149 -0.300 -1.903 5.568 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.814 -4.361 4.126 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.033 -1.540 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.403 -2.212 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.970 -3.075 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.591 -3.903 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.309 -1.497 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.585 -3.149 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.334 -1.812 4.115 1.00 0.00 H new ATOM 377 N LYS A 150 1.614 -5.127 4.459 1.00 0.00 N ATOM 378 CA LYS A 150 2.974 -5.649 4.355 1.00 0.00 C ATOM 379 C LYS A 150 3.531 -5.504 2.940 1.00 0.00 C ATOM 380 O LYS A 150 3.359 -6.384 2.097 1.00 0.00 O ATOM 381 CB LYS A 150 3.004 -7.118 4.779 1.00 0.00 C ATOM 382 CG LYS A 150 2.017 -7.995 4.023 1.00 0.00 C ATOM 383 CD LYS A 150 2.491 -9.439 3.961 1.00 0.00 C ATOM 384 CE LYS A 150 1.653 -10.341 4.853 1.00 0.00 C ATOM 385 NZ LYS A 150 0.241 -10.428 4.388 1.00 0.00 N ATOM 0 H LYS A 150 0.949 -5.771 4.889 1.00 0.00 H new ATOM 0 HA LYS A 150 3.605 -5.062 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.011 -7.509 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.791 -7.183 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.042 -7.951 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.886 -7.610 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 150 2.441 -9.795 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.536 -9.493 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 150 2.090 -11.339 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 150 1.676 -9.963 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.189 -11.305 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.293 -9.610 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 0.217 -10.429 3.348 1.00 0.00 H new ATOM 399 N GLY A 151 4.204 -4.385 2.688 1.00 0.00 N ATOM 400 CA GLY A 151 4.780 -4.146 1.378 1.00 0.00 C ATOM 401 C GLY A 151 5.775 -5.215 0.973 1.00 0.00 C ATOM 402 O GLY A 151 6.581 -5.664 1.787 1.00 0.00 O ATOM 0 H GLY A 151 4.360 -3.640 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.982 -4.099 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.275 -3.175 1.375 1.00 0.00 H new ATOM 406 N THR A 152 5.717 -5.623 -0.290 1.00 0.00 N ATOM 407 CA THR A 152 6.621 -6.648 -0.806 1.00 0.00 C ATOM 408 C THR A 152 7.490 -6.094 -1.937 1.00 0.00 C ATOM 409 O THR A 152 8.112 -6.850 -2.684 1.00 0.00 O ATOM 410 CB THR A 152 5.823 -7.873 -1.288 1.00 0.00 C ATOM 411 OG1 THR A 152 6.080 -8.151 -2.655 1.00 0.00 O ATOM 412 CG2 THR A 152 4.323 -7.723 -1.132 1.00 0.00 C ATOM 0 H THR A 152 5.055 -5.261 -0.976 1.00 0.00 H new ATOM 0 HA THR A 152 7.281 -6.959 0.004 1.00 0.00 H new ATOM 0 HB THR A 152 6.162 -8.688 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.041 -8.289 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.828 -8.625 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.080 -7.571 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.981 -6.865 -1.711 1.00 0.00 H new ATOM 420 N GLY A 153 7.531 -4.769 -2.061 1.00 0.00 N ATOM 421 CA GLY A 153 8.324 -4.146 -3.104 1.00 0.00 C ATOM 422 C GLY A 153 9.811 -4.144 -2.791 1.00 0.00 C ATOM 423 O GLY A 153 10.201 -4.223 -1.625 1.00 0.00 O ATOM 0 H GLY A 153 7.029 -4.118 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.156 -4.671 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 153 7.986 -3.120 -3.247 1.00 0.00 H new ATOM 427 N PRO A 154 10.669 -4.049 -3.824 1.00 0.00 N ATOM 428 CA PRO A 154 12.127 -4.038 -3.658 1.00 0.00 C ATOM 429 C PRO A 154 12.588 -3.129 -2.526 1.00 0.00 C ATOM 430 O PRO A 154 12.591 -1.906 -2.658 1.00 0.00 O ATOM 431 CB PRO A 154 12.624 -3.515 -5.003 1.00 0.00 C ATOM 432 CG PRO A 154 11.593 -3.965 -5.980 1.00 0.00 C ATOM 433 CD PRO A 154 10.280 -3.935 -5.243 1.00 0.00 C ATOM 0 HA PRO A 154 12.513 -5.022 -3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.718 -2.429 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.606 -3.919 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.567 -3.309 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.813 -4.968 -6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.735 -3.011 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.632 -4.757 -5.547 1.00 0.00 H new ATOM 441 N GLY A 155 12.979 -3.738 -1.412 1.00 0.00 N ATOM 442 CA GLY A 155 13.435 -2.973 -0.269 1.00 0.00 C ATOM 443 C GLY A 155 12.349 -2.798 0.774 1.00 0.00 C ATOM 444 O GLY A 155 12.410 -1.887 1.599 1.00 0.00 O ATOM 0 H GLY A 155 12.988 -4.750 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.292 -3.473 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.777 -1.993 -0.603 1.00 0.00 H new ATOM 448 N GLY A 156 11.348 -3.674 0.734 1.00 0.00 N ATOM 449 CA GLY A 156 10.256 -3.597 1.682 1.00 0.00 C ATOM 450 C GLY A 156 9.306 -2.456 1.385 1.00 0.00 C ATOM 451 O GLY A 156 8.595 -1.992 2.276 1.00 0.00 O ATOM 0 H GLY A 156 11.276 -4.436 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.704 -4.537 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.660 -3.476 2.687 1.00 0.00 H new ATOM 455 N VAL A 157 9.292 -1.988 0.138 1.00 0.00 N ATOM 456 CA VAL A 157 8.416 -0.887 -0.233 1.00 0.00 C ATOM 457 C VAL A 157 7.037 -1.391 -0.628 1.00 0.00 C ATOM 458 O VAL A 157 6.903 -2.203 -1.544 1.00 0.00 O ATOM 459 CB VAL A 157 9.001 -0.017 -1.386 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.485 -0.259 -1.577 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.266 -0.240 -2.704 1.00 0.00 C ATOM 0 H VAL A 157 9.870 -2.350 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 157 8.332 -0.257 0.652 1.00 0.00 H new ATOM 0 HB VAL A 157 8.855 1.021 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.854 0.366 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.016 -0.010 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.654 -1.308 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.708 0.387 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.349 -1.287 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.215 0.021 -2.583 1.00 0.00 H new ATOM 471 N ILE A 158 6.005 -0.892 0.042 1.00 0.00 N ATOM 472 CA ILE A 158 4.650 -1.290 -0.296 1.00 0.00 C ATOM 473 C ILE A 158 4.356 -0.839 -1.716 1.00 0.00 C ATOM 474 O ILE A 158 4.283 0.354 -1.998 1.00 0.00 O ATOM 475 CB ILE A 158 3.605 -0.706 0.677 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.710 0.816 0.758 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.771 -1.319 2.057 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.408 1.475 1.153 1.00 0.00 C ATOM 0 H ILE A 158 6.080 -0.223 0.808 1.00 0.00 H new ATOM 0 HA ILE A 158 4.579 -2.375 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 158 2.615 -0.954 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.481 1.084 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 158 4.030 1.205 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.027 -0.898 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.635 -2.399 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.770 -1.101 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.545 2.556 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.640 1.234 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.099 1.111 2.133 1.00 0.00 H new ATOM 490 N THR A 159 4.236 -1.795 -2.623 1.00 0.00 N ATOM 491 CA THR A 159 4.006 -1.467 -4.019 1.00 0.00 C ATOM 492 C THR A 159 2.575 -1.023 -4.258 1.00 0.00 C ATOM 493 O THR A 159 1.667 -1.338 -3.489 1.00 0.00 O ATOM 494 CB THR A 159 4.361 -2.653 -4.911 1.00 0.00 C ATOM 495 OG1 THR A 159 3.566 -3.781 -4.596 1.00 0.00 O ATOM 496 CG2 THR A 159 5.813 -3.062 -4.789 1.00 0.00 C ATOM 0 H THR A 159 4.293 -2.793 -2.421 1.00 0.00 H new ATOM 0 HA THR A 159 4.656 -0.631 -4.277 1.00 0.00 H new ATOM 0 HB THR A 159 4.171 -2.320 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.046 -4.353 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.009 -3.910 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.452 -2.226 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.026 -3.345 -3.758 1.00 0.00 H new ATOM 504 N VAL A 160 2.387 -0.267 -5.325 1.00 0.00 N ATOM 505 CA VAL A 160 1.073 0.249 -5.673 1.00 0.00 C ATOM 506 C VAL A 160 0.051 -0.873 -5.771 1.00 0.00 C ATOM 507 O VAL A 160 -1.071 -0.751 -5.282 1.00 0.00 O ATOM 508 CB VAL A 160 1.084 1.035 -7.000 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.201 2.247 -6.859 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.494 1.450 -7.402 1.00 0.00 C ATOM 0 H VAL A 160 3.130 0.005 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 160 0.793 0.932 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 160 0.704 0.386 -7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.203 2.809 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.816 1.931 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.577 2.879 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.457 2.001 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.922 2.085 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.113 0.562 -7.526 1.00 0.00 H new ATOM 520 N GLU A 161 0.456 -1.968 -6.391 1.00 0.00 N ATOM 521 CA GLU A 161 -0.411 -3.124 -6.543 1.00 0.00 C ATOM 522 C GLU A 161 -0.731 -3.722 -5.180 1.00 0.00 C ATOM 523 O GLU A 161 -1.780 -4.336 -4.988 1.00 0.00 O ATOM 524 CB GLU A 161 0.253 -4.175 -7.436 1.00 0.00 C ATOM 525 CG GLU A 161 -0.228 -4.140 -8.878 1.00 0.00 C ATOM 526 CD GLU A 161 0.140 -2.851 -9.585 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.188 -2.264 -9.242 1.00 0.00 O ATOM 528 OE2 GLU A 161 -0.619 -2.428 -10.483 1.00 0.00 O ATOM 0 H GLU A 161 1.384 -2.081 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.340 -2.803 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.333 -4.025 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.062 -5.165 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 161 0.201 -4.983 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.311 -4.265 -8.899 1.00 0.00 H new ATOM 535 N ASP A 162 0.184 -3.530 -4.236 1.00 0.00 N ATOM 536 CA ASP A 162 0.011 -4.045 -2.884 1.00 0.00 C ATOM 537 C ASP A 162 -1.090 -3.286 -2.155 1.00 0.00 C ATOM 538 O ASP A 162 -1.982 -3.883 -1.552 1.00 0.00 O ATOM 539 CB ASP A 162 1.319 -3.930 -2.095 1.00 0.00 C ATOM 540 CG ASP A 162 2.346 -4.968 -2.500 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.945 -6.032 -3.019 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.554 -4.715 -2.298 1.00 0.00 O ATOM 0 H ASP A 162 1.055 -3.020 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.272 -5.095 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.739 -2.935 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.106 -4.033 -1.031 1.00 0.00 H new ATOM 547 N VAL A 163 -1.020 -1.961 -2.214 1.00 0.00 N ATOM 548 CA VAL A 163 -2.012 -1.119 -1.552 1.00 0.00 C ATOM 549 C VAL A 163 -3.354 -1.194 -2.272 1.00 0.00 C ATOM 550 O VAL A 163 -4.400 -1.329 -1.642 1.00 0.00 O ATOM 551 CB VAL A 163 -1.593 0.369 -1.480 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.858 0.935 -0.092 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.138 0.583 -1.873 1.00 0.00 C ATOM 0 H VAL A 163 -0.291 -1.448 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.093 -1.507 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.204 0.906 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.557 1.982 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.921 0.857 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.286 0.372 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.105 1.643 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.508 0.019 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.017 0.240 -2.896 1.00 0.00 H new ATOM 563 N LYS A 164 -3.315 -1.087 -3.595 1.00 0.00 N ATOM 564 CA LYS A 164 -4.528 -1.125 -4.402 1.00 0.00 C ATOM 565 C LYS A 164 -5.299 -2.424 -4.194 1.00 0.00 C ATOM 566 O LYS A 164 -6.516 -2.411 -4.012 1.00 0.00 O ATOM 567 CB LYS A 164 -4.183 -0.949 -5.880 1.00 0.00 C ATOM 568 CG LYS A 164 -4.551 0.418 -6.432 1.00 0.00 C ATOM 569 CD LYS A 164 -4.595 0.412 -7.952 1.00 0.00 C ATOM 570 CE LYS A 164 -3.309 0.964 -8.548 1.00 0.00 C ATOM 571 NZ LYS A 164 -3.519 1.501 -9.920 1.00 0.00 N ATOM 0 H LYS A 164 -2.455 -0.973 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.167 -0.303 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.114 -1.111 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.698 -1.716 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.522 0.720 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.826 1.157 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.755 -0.605 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.441 1.007 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -2.920 1.753 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -2.555 0.177 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -2.619 1.868 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -3.866 0.742 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -4.219 2.269 -9.889 1.00 0.00 H new