USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 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 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 SER OG : rot -23:sc= 1.13 USER MOD Single : A 272 LYS NZ :NH3+ -166:sc= -0.0221 (180deg=-0.278) USER MOD Single : A 307 LYS NZ :NH3+ -167:sc= -0.017 (180deg=-0.196) USER MOD Single : A 311 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 167:sc= -0.0198 (180deg=-0.234) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -54.405 -3.635 2.134 1.00 0.00 N ATOM 156 CA GLU A 259 -53.665 -2.597 2.841 1.00 0.00 C ATOM 157 C GLU A 259 -52.209 -3.015 3.007 1.00 0.00 C ATOM 158 O GLU A 259 -51.290 -2.202 2.865 1.00 0.00 O ATOM 159 CB GLU A 259 -54.300 -2.319 4.207 1.00 0.00 C ATOM 160 CG GLU A 259 -54.363 -3.538 5.114 1.00 0.00 C ATOM 161 CD GLU A 259 -54.996 -3.234 6.459 1.00 0.00 C ATOM 162 OE1 GLU A 259 -55.383 -2.068 6.684 1.00 0.00 O ATOM 163 OE2 GLU A 259 -55.102 -4.162 7.288 1.00 0.00 O ATOM 0 HA GLU A 259 -53.703 -1.680 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -53.733 -1.534 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -55.310 -1.937 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -54.932 -4.325 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -53.355 -3.923 5.270 1.00 0.00 H new ATOM 170 N GLU A 260 -52.011 -4.298 3.296 1.00 0.00 N ATOM 171 CA GLU A 260 -50.676 -4.851 3.470 1.00 0.00 C ATOM 172 C GLU A 260 -49.824 -4.573 2.239 1.00 0.00 C ATOM 173 O GLU A 260 -48.607 -4.428 2.336 1.00 0.00 O ATOM 174 CB GLU A 260 -50.751 -6.357 3.726 1.00 0.00 C ATOM 175 CG GLU A 260 -51.544 -6.725 4.970 1.00 0.00 C ATOM 176 CD GLU A 260 -51.600 -8.222 5.203 1.00 0.00 C ATOM 177 OE1 GLU A 260 -50.526 -8.837 5.367 1.00 0.00 O ATOM 178 OE2 GLU A 260 -52.718 -8.778 5.222 1.00 0.00 O ATOM 0 H GLU A 260 -52.764 -4.976 3.415 1.00 0.00 H new ATOM 0 HA GLU A 260 -50.214 -4.372 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -51.203 -6.842 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -49.739 -6.752 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -51.096 -6.242 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -52.558 -6.337 4.878 1.00 0.00 H new ATOM 185 N GLU A 261 -50.477 -4.499 1.081 1.00 0.00 N ATOM 186 CA GLU A 261 -49.780 -4.234 -0.172 1.00 0.00 C ATOM 187 C GLU A 261 -49.004 -2.922 -0.082 1.00 0.00 C ATOM 188 O GLU A 261 -47.785 -2.892 -0.272 1.00 0.00 O ATOM 189 CB GLU A 261 -50.778 -4.167 -1.330 1.00 0.00 C ATOM 190 CG GLU A 261 -50.132 -3.878 -2.676 1.00 0.00 C ATOM 191 CD GLU A 261 -51.149 -3.699 -3.787 1.00 0.00 C ATOM 192 OE1 GLU A 261 -51.929 -4.641 -4.036 1.00 0.00 O ATOM 193 OE2 GLU A 261 -51.164 -2.615 -4.408 1.00 0.00 O ATOM 0 H GLU A 261 -51.485 -4.619 0.986 1.00 0.00 H new ATOM 0 HA GLU A 261 -49.078 -5.048 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -51.315 -5.113 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -51.517 -3.394 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -49.524 -2.977 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -49.458 -4.695 -2.934 1.00 0.00 H new ATOM 200 N LEU A 262 -49.719 -1.838 0.218 1.00 0.00 N ATOM 201 CA LEU A 262 -49.102 -0.526 0.342 1.00 0.00 C ATOM 202 C LEU A 262 -48.040 -0.534 1.432 1.00 0.00 C ATOM 203 O LEU A 262 -46.958 0.022 1.258 1.00 0.00 O ATOM 204 CB LEU A 262 -50.150 0.546 0.648 1.00 0.00 C ATOM 205 CG LEU A 262 -51.280 0.651 -0.375 1.00 0.00 C ATOM 206 CD1 LEU A 262 -52.377 -0.352 -0.069 1.00 0.00 C ATOM 207 CD2 LEU A 262 -51.838 2.067 -0.419 1.00 0.00 C ATOM 0 H LEU A 262 -50.726 -1.847 0.379 1.00 0.00 H new ATOM 0 HA LEU A 262 -48.630 -0.289 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -50.583 0.341 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -49.651 1.512 0.717 1.00 0.00 H new ATOM 0 HG LEU A 262 -50.872 0.417 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -53.171 -0.260 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -51.966 -1.361 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -52.782 -0.156 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -52.641 2.119 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -52.227 2.335 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -51.046 2.762 -0.698 1.00 0.00 H new ATOM 219 N ILE A 263 -48.356 -1.172 2.557 1.00 0.00 N ATOM 220 CA ILE A 263 -47.420 -1.253 3.672 1.00 0.00 C ATOM 221 C ILE A 263 -46.099 -1.870 3.223 1.00 0.00 C ATOM 222 O ILE A 263 -45.024 -1.394 3.586 1.00 0.00 O ATOM 223 CB ILE A 263 -47.996 -2.081 4.838 1.00 0.00 C ATOM 224 CG1 ILE A 263 -49.285 -1.437 5.358 1.00 0.00 C ATOM 225 CG2 ILE A 263 -46.968 -2.209 5.954 1.00 0.00 C ATOM 226 CD1 ILE A 263 -49.944 -2.214 6.478 1.00 0.00 C ATOM 0 H ILE A 263 -49.249 -1.638 2.719 1.00 0.00 H new ATOM 0 HA ILE A 263 -47.248 -0.234 4.020 1.00 0.00 H new ATOM 0 HB ILE A 263 -48.233 -3.081 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -49.061 -0.430 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -49.990 -1.338 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -47.389 -2.796 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -46.076 -2.706 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -46.702 -1.217 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -50.850 -1.698 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -50.200 -3.213 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -49.257 -2.291 7.321 1.00 0.00 H new ATOM 238 N ARG A 264 -46.191 -2.928 2.426 1.00 0.00 N ATOM 239 CA ARG A 264 -45.010 -3.613 1.915 1.00 0.00 C ATOM 240 C ARG A 264 -44.183 -2.675 1.042 1.00 0.00 C ATOM 241 O ARG A 264 -42.960 -2.609 1.166 1.00 0.00 O ATOM 242 CB ARG A 264 -45.431 -4.844 1.108 1.00 0.00 C ATOM 243 CG ARG A 264 -44.272 -5.649 0.535 1.00 0.00 C ATOM 244 CD ARG A 264 -43.518 -6.417 1.612 1.00 0.00 C ATOM 245 NE ARG A 264 -42.795 -5.536 2.526 1.00 0.00 N ATOM 246 CZ ARG A 264 -42.077 -5.974 3.556 1.00 0.00 C ATOM 247 NH1 ARG A 264 -41.995 -7.274 3.809 1.00 0.00 N ATOM 248 NH2 ARG A 264 -41.439 -5.112 4.336 1.00 0.00 N ATOM 0 H ARG A 264 -47.076 -3.332 2.119 1.00 0.00 H new ATOM 0 HA ARG A 264 -44.398 -3.930 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -46.028 -5.495 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -46.074 -4.523 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -44.651 -6.349 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -43.584 -4.977 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -44.222 -7.025 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -42.814 -7.102 1.140 1.00 0.00 H new ATOM 0 HE ARG A 264 -42.844 -4.530 2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -42.484 -7.941 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -41.443 -7.606 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -41.499 -4.112 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -40.889 -5.449 5.126 1.00 0.00 H new ATOM 262 N LYS A 265 -44.865 -1.951 0.160 1.00 0.00 N ATOM 263 CA LYS A 265 -44.205 -1.011 -0.741 1.00 0.00 C ATOM 264 C LYS A 265 -43.507 0.105 0.034 1.00 0.00 C ATOM 265 O LYS A 265 -42.376 0.476 -0.280 1.00 0.00 O ATOM 266 CB LYS A 265 -45.225 -0.410 -1.711 1.00 0.00 C ATOM 267 CG LYS A 265 -44.635 0.620 -2.663 1.00 0.00 C ATOM 268 CD LYS A 265 -45.696 1.203 -3.585 1.00 0.00 C ATOM 269 CE LYS A 265 -46.774 1.939 -2.803 1.00 0.00 C ATOM 270 NZ LYS A 265 -47.828 2.494 -3.696 1.00 0.00 N ATOM 0 H LYS A 265 -45.878 -1.997 0.050 1.00 0.00 H new ATOM 0 HA LYS A 265 -43.448 -1.559 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -45.675 -1.214 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -46.027 0.056 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -44.170 1.422 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -43.849 0.157 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -45.228 1.887 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -46.151 0.403 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -47.229 1.258 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -46.319 2.748 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -48.543 2.987 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -47.398 3.163 -4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -48.280 1.719 -4.223 1.00 0.00 H new ATOM 284 N ALA A 266 -44.192 0.641 1.040 1.00 0.00 N ATOM 285 CA ALA A 266 -43.643 1.721 1.854 1.00 0.00 C ATOM 286 C ALA A 266 -42.367 1.287 2.568 1.00 0.00 C ATOM 287 O ALA A 266 -41.358 1.994 2.539 1.00 0.00 O ATOM 288 CB ALA A 266 -44.679 2.196 2.862 1.00 0.00 C ATOM 0 H ALA A 266 -45.130 0.345 1.311 1.00 0.00 H new ATOM 0 HA ALA A 266 -43.387 2.547 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -44.258 3.002 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -45.560 2.560 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -44.961 1.367 3.512 1.00 0.00 H new ATOM 294 N ILE A 267 -42.416 0.123 3.209 1.00 0.00 N ATOM 295 CA ILE A 267 -41.261 -0.399 3.929 1.00 0.00 C ATOM 296 C ILE A 267 -40.077 -0.599 2.988 1.00 0.00 C ATOM 297 O ILE A 267 -38.950 -0.227 3.308 1.00 0.00 O ATOM 298 CB ILE A 267 -41.586 -1.738 4.625 1.00 0.00 C ATOM 299 CG1 ILE A 267 -42.742 -1.563 5.616 1.00 0.00 C ATOM 300 CG2 ILE A 267 -40.353 -2.286 5.331 1.00 0.00 C ATOM 301 CD1 ILE A 267 -42.451 -0.583 6.735 1.00 0.00 C ATOM 0 H ILE A 267 -43.242 -0.475 3.244 1.00 0.00 H new ATOM 0 HA ILE A 267 -41.000 0.338 4.688 1.00 0.00 H new ATOM 0 HB ILE A 267 -41.893 -2.456 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -43.625 -1.227 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -42.985 -2.533 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -40.601 -3.230 5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -39.559 -2.450 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -40.015 -1.571 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -43.317 -0.515 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -41.588 -0.927 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -42.238 0.399 6.312 1.00 0.00 H new ATOM 313 N GLU A 268 -40.343 -1.184 1.825 1.00 0.00 N ATOM 314 CA GLU A 268 -39.301 -1.431 0.835 1.00 0.00 C ATOM 315 C GLU A 268 -38.661 -0.121 0.383 1.00 0.00 C ATOM 316 O GLU A 268 -37.448 -0.048 0.184 1.00 0.00 O ATOM 317 CB GLU A 268 -39.882 -2.174 -0.371 1.00 0.00 C ATOM 318 CG GLU A 268 -38.853 -2.504 -1.443 1.00 0.00 C ATOM 319 CD GLU A 268 -37.799 -3.488 -0.968 1.00 0.00 C ATOM 320 OE1 GLU A 268 -37.896 -3.957 0.186 1.00 0.00 O ATOM 321 OE2 GLU A 268 -36.877 -3.793 -1.754 1.00 0.00 O ATOM 0 H GLU A 268 -41.273 -1.496 1.545 1.00 0.00 H new ATOM 0 HA GLU A 268 -38.531 -2.050 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -40.345 -3.099 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -40.672 -1.568 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -39.363 -2.917 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -38.365 -1.585 -1.766 1.00 0.00 H new ATOM 328 N LEU A 269 -39.487 0.909 0.224 1.00 0.00 N ATOM 329 CA LEU A 269 -39.008 2.218 -0.205 1.00 0.00 C ATOM 330 C LEU A 269 -38.032 2.802 0.809 1.00 0.00 C ATOM 331 O LEU A 269 -36.967 3.300 0.444 1.00 0.00 O ATOM 332 CB LEU A 269 -40.188 3.174 -0.403 1.00 0.00 C ATOM 333 CG LEU A 269 -39.813 4.594 -0.835 1.00 0.00 C ATOM 334 CD1 LEU A 269 -39.105 4.577 -2.181 1.00 0.00 C ATOM 335 CD2 LEU A 269 -41.050 5.477 -0.893 1.00 0.00 C ATOM 0 H LEU A 269 -40.493 0.862 0.386 1.00 0.00 H new ATOM 0 HA LEU A 269 -38.485 2.093 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -40.857 2.749 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -40.748 3.232 0.530 1.00 0.00 H new ATOM 0 HG LEU A 269 -39.128 5.008 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -38.847 5.596 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -38.196 3.980 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -39.764 4.143 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -40.765 6.483 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -41.758 5.064 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -41.514 5.518 0.092 1.00 0.00 H new ATOM 347 N SER A 270 -38.405 2.742 2.083 1.00 0.00 N ATOM 348 CA SER A 270 -37.563 3.270 3.151 1.00 0.00 C ATOM 349 C SER A 270 -36.268 2.471 3.278 1.00 0.00 C ATOM 350 O SER A 270 -35.192 3.041 3.462 1.00 0.00 O ATOM 351 CB SER A 270 -38.319 3.256 4.481 1.00 0.00 C ATOM 352 OG SER A 270 -38.704 1.940 4.837 1.00 0.00 O ATOM 0 H SER A 270 -39.284 2.334 2.401 1.00 0.00 H new ATOM 0 HA SER A 270 -37.306 4.299 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 270 -37.690 3.678 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 270 -39.203 3.889 4.407 1.00 0.00 H new ATOM 0 HG SER A 270 -38.744 1.382 4.032 1.00 0.00 H new ATOM 358 N LEU A 271 -36.380 1.149 3.183 1.00 0.00 N ATOM 359 CA LEU A 271 -35.220 0.269 3.290 1.00 0.00 C ATOM 360 C LEU A 271 -34.189 0.572 2.208 1.00 0.00 C ATOM 361 O LEU A 271 -32.986 0.570 2.469 1.00 0.00 O ATOM 362 CB LEU A 271 -35.651 -1.198 3.196 1.00 0.00 C ATOM 363 CG LEU A 271 -36.545 -1.692 4.337 1.00 0.00 C ATOM 364 CD1 LEU A 271 -36.951 -3.139 4.103 1.00 0.00 C ATOM 365 CD2 LEU A 271 -35.835 -1.547 5.675 1.00 0.00 C ATOM 0 H LEU A 271 -37.264 0.663 3.032 1.00 0.00 H new ATOM 0 HA LEU A 271 -34.760 0.449 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -36.179 -1.345 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -34.757 -1.821 3.161 1.00 0.00 H new ATOM 0 HG LEU A 271 -37.446 -1.079 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -37.586 -3.476 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -37.499 -3.216 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -36.059 -3.764 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -36.486 -1.903 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -34.917 -2.135 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -35.592 -0.498 5.846 1.00 0.00 H new ATOM 377 N LYS A 272 -34.664 0.819 0.990 1.00 0.00 N ATOM 378 CA LYS A 272 -33.776 1.109 -0.131 1.00 0.00 C ATOM 379 C LYS A 272 -32.889 2.315 0.166 1.00 0.00 C ATOM 380 O LYS A 272 -31.667 2.240 0.035 1.00 0.00 O ATOM 381 CB LYS A 272 -34.586 1.359 -1.406 1.00 0.00 C ATOM 382 CG LYS A 272 -33.723 1.596 -2.637 1.00 0.00 C ATOM 383 CD LYS A 272 -34.566 1.825 -3.883 1.00 0.00 C ATOM 384 CE LYS A 272 -35.384 0.595 -4.243 1.00 0.00 C ATOM 385 NZ LYS A 272 -34.520 -0.588 -4.510 1.00 0.00 N ATOM 0 H LYS A 272 -35.657 0.824 0.755 1.00 0.00 H new ATOM 0 HA LYS A 272 -33.135 0.240 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -35.236 0.503 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -35.232 2.224 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -33.080 2.460 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -33.069 0.738 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -35.234 2.671 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -33.917 2.087 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -36.072 0.366 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -35.991 0.807 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -35.081 -1.330 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -33.732 -0.310 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -34.143 -0.952 -3.612 1.00 0.00 H new ATOM 892 N ASP A 305 29.178 -2.994 6.148 1.00 0.00 N ATOM 893 CA ASP A 305 30.292 -2.234 6.704 1.00 0.00 C ATOM 894 C ASP A 305 31.621 -2.941 6.457 1.00 0.00 C ATOM 895 O ASP A 305 32.614 -2.309 6.097 1.00 0.00 O ATOM 896 CB ASP A 305 30.089 -2.018 8.205 1.00 0.00 C ATOM 897 CG ASP A 305 31.210 -1.212 8.832 1.00 0.00 C ATOM 898 OD1 ASP A 305 31.419 -0.056 8.408 1.00 0.00 O ATOM 899 OD2 ASP A 305 31.878 -1.737 9.748 1.00 0.00 O ATOM 0 HA ASP A 305 30.321 -1.267 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 305 29.141 -1.506 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 305 30.019 -2.986 8.702 1.00 0.00 H new ATOM 904 N LEU A 306 31.632 -4.255 6.661 1.00 0.00 N ATOM 905 CA LEU A 306 32.838 -5.053 6.470 1.00 0.00 C ATOM 906 C LEU A 306 33.352 -4.926 5.038 1.00 0.00 C ATOM 907 O LEU A 306 34.556 -4.811 4.811 1.00 0.00 O ATOM 908 CB LEU A 306 32.553 -6.522 6.815 1.00 0.00 C ATOM 909 CG LEU A 306 33.780 -7.438 6.921 1.00 0.00 C ATOM 910 CD1 LEU A 306 33.415 -8.726 7.642 1.00 0.00 C ATOM 911 CD2 LEU A 306 34.345 -7.759 5.544 1.00 0.00 C ATOM 0 H LEU A 306 30.817 -4.791 6.959 1.00 0.00 H new ATOM 0 HA LEU A 306 33.613 -4.679 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 306 32.017 -6.554 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 306 31.884 -6.930 6.057 1.00 0.00 H new ATOM 0 HG LEU A 306 34.544 -6.911 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 306 34.294 -9.367 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 306 33.057 -8.493 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 306 32.631 -9.243 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 306 35.213 -8.409 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 306 33.585 -8.263 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 306 34.642 -6.835 5.048 1.00 0.00 H new ATOM 923 N LYS A 307 32.435 -4.949 4.076 1.00 0.00 N ATOM 924 CA LYS A 307 32.800 -4.838 2.667 1.00 0.00 C ATOM 925 C LYS A 307 33.560 -3.542 2.399 1.00 0.00 C ATOM 926 O LYS A 307 34.568 -3.537 1.691 1.00 0.00 O ATOM 927 CB LYS A 307 31.551 -4.898 1.786 1.00 0.00 C ATOM 928 CG LYS A 307 31.850 -4.826 0.295 1.00 0.00 C ATOM 929 CD LYS A 307 30.574 -4.795 -0.534 1.00 0.00 C ATOM 930 CE LYS A 307 29.753 -6.062 -0.356 1.00 0.00 C ATOM 931 NZ LYS A 307 30.499 -7.274 -0.795 1.00 0.00 N ATOM 0 H LYS A 307 31.434 -5.043 4.246 1.00 0.00 H new ATOM 0 HA LYS A 307 33.451 -5.678 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 307 31.013 -5.823 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 307 30.888 -4.076 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 307 32.442 -3.935 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 307 32.453 -5.686 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 307 29.975 -3.931 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 307 30.828 -4.671 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 307 29.472 -6.168 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 307 28.828 -5.978 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 29.843 -8.078 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 30.933 -7.097 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 31.242 -7.495 -0.101 1.00 0.00 H new ATOM 945 N ALA A 308 33.070 -2.445 2.965 1.00 0.00 N ATOM 946 CA ALA A 308 33.704 -1.144 2.785 1.00 0.00 C ATOM 947 C ALA A 308 35.081 -1.107 3.440 1.00 0.00 C ATOM 948 O ALA A 308 36.040 -0.590 2.865 1.00 0.00 O ATOM 949 CB ALA A 308 32.819 -0.044 3.352 1.00 0.00 C ATOM 0 H ALA A 308 32.236 -2.430 3.552 1.00 0.00 H new ATOM 0 HA ALA A 308 33.835 -0.977 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 308 33.304 0.922 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 308 31.859 -0.047 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 308 32.659 -0.218 4.416 1.00 0.00 H new ATOM 955 N ALA A 309 35.169 -1.653 4.650 1.00 0.00 N ATOM 956 CA ALA A 309 36.425 -1.679 5.391 1.00 0.00 C ATOM 957 C ALA A 309 37.506 -2.440 4.629 1.00 0.00 C ATOM 958 O ALA A 309 38.618 -1.940 4.447 1.00 0.00 O ATOM 959 CB ALA A 309 36.211 -2.297 6.764 1.00 0.00 C ATOM 0 H ALA A 309 34.384 -2.084 5.138 1.00 0.00 H new ATOM 0 HA ALA A 309 36.765 -0.651 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 309 37.155 -2.311 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 309 35.481 -1.707 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 309 35.842 -3.317 6.651 1.00 0.00 H new ATOM 965 N ILE A 310 37.177 -3.650 4.186 1.00 0.00 N ATOM 966 CA ILE A 310 38.126 -4.471 3.447 1.00 0.00 C ATOM 967 C ILE A 310 38.477 -3.822 2.113 1.00 0.00 C ATOM 968 O ILE A 310 39.609 -3.919 1.648 1.00 0.00 O ATOM 969 CB ILE A 310 37.587 -5.895 3.196 1.00 0.00 C ATOM 970 CG1 ILE A 310 38.677 -6.780 2.585 1.00 0.00 C ATOM 971 CG2 ILE A 310 36.371 -5.851 2.285 1.00 0.00 C ATOM 972 CD1 ILE A 310 39.890 -6.956 3.476 1.00 0.00 C ATOM 0 H ILE A 310 36.263 -4.081 4.326 1.00 0.00 H new ATOM 0 HA ILE A 310 39.022 -4.549 4.063 1.00 0.00 H new ATOM 0 HB ILE A 310 37.288 -6.323 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 310 38.255 -7.760 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 310 38.994 -6.348 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 310 36.004 -6.864 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 310 35.588 -5.253 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 310 36.648 -5.404 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 310 40.619 -7.595 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 310 40.338 -5.983 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 310 39.587 -7.417 4.416 1.00 0.00 H new ATOM 984 N GLN A 311 37.497 -3.159 1.504 1.00 0.00 N ATOM 985 CA GLN A 311 37.707 -2.491 0.225 1.00 0.00 C ATOM 986 C GLN A 311 38.807 -1.442 0.341 1.00 0.00 C ATOM 987 O GLN A 311 39.716 -1.387 -0.488 1.00 0.00 O ATOM 988 CB GLN A 311 36.408 -1.837 -0.252 1.00 0.00 C ATOM 989 CG GLN A 311 36.541 -1.115 -1.583 1.00 0.00 C ATOM 990 CD GLN A 311 35.241 -0.475 -2.032 1.00 0.00 C ATOM 991 OE1 GLN A 311 34.693 0.390 -1.349 1.00 0.00 O ATOM 992 NE2 GLN A 311 34.740 -0.900 -3.187 1.00 0.00 N ATOM 0 H GLN A 311 36.551 -3.071 1.876 1.00 0.00 H new ATOM 0 HA GLN A 311 38.016 -3.239 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 311 35.637 -2.602 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 311 36.070 -1.128 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 311 37.310 -0.347 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 311 36.876 -1.821 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 311 35.228 -1.619 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 311 33.867 -0.507 -3.540 1.00 0.00 H new ATOM 1001 N GLU A 312 38.722 -0.616 1.380 1.00 0.00 N ATOM 1002 CA GLU A 312 39.716 0.425 1.610 1.00 0.00 C ATOM 1003 C GLU A 312 41.076 -0.188 1.916 1.00 0.00 C ATOM 1004 O GLU A 312 42.104 0.277 1.424 1.00 0.00 O ATOM 1005 CB GLU A 312 39.281 1.336 2.759 1.00 0.00 C ATOM 1006 CG GLU A 312 37.972 2.063 2.499 1.00 0.00 C ATOM 1007 CD GLU A 312 37.570 2.965 3.648 1.00 0.00 C ATOM 1008 OE1 GLU A 312 38.349 3.883 3.983 1.00 0.00 O ATOM 1009 OE2 GLU A 312 36.476 2.755 4.214 1.00 0.00 O ATOM 0 H GLU A 312 37.976 -0.648 2.075 1.00 0.00 H new ATOM 0 HA GLU A 312 39.800 1.021 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 312 39.182 0.740 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 312 40.064 2.071 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 312 38.065 2.658 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 312 37.183 1.332 2.322 1.00 0.00 H new ATOM 1016 N SER A 313 41.069 -1.235 2.731 1.00 0.00 N ATOM 1017 CA SER A 313 42.300 -1.921 3.108 1.00 0.00 C ATOM 1018 C SER A 313 42.971 -2.547 1.889 1.00 0.00 C ATOM 1019 O SER A 313 44.191 -2.489 1.742 1.00 0.00 O ATOM 1020 CB SER A 313 42.008 -2.999 4.154 1.00 0.00 C ATOM 1021 OG SER A 313 43.199 -3.654 4.557 1.00 0.00 O ATOM 0 H SER A 313 40.224 -1.629 3.145 1.00 0.00 H new ATOM 0 HA SER A 313 42.980 -1.184 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 313 41.526 -2.548 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 313 41.309 -3.728 3.744 1.00 0.00 H new ATOM 0 HG SER A 313 42.986 -4.337 5.227 1.00 0.00 H new ATOM 1027 N LEU A 314 42.164 -3.144 1.018 1.00 0.00 N ATOM 1028 CA LEU A 314 42.677 -3.781 -0.188 1.00 0.00 C ATOM 1029 C LEU A 314 43.297 -2.751 -1.126 1.00 0.00 C ATOM 1030 O LEU A 314 44.385 -2.964 -1.661 1.00 0.00 O ATOM 1031 CB LEU A 314 41.564 -4.552 -0.904 1.00 0.00 C ATOM 1032 CG LEU A 314 41.084 -5.818 -0.189 1.00 0.00 C ATOM 1033 CD1 LEU A 314 39.959 -6.477 -0.971 1.00 0.00 C ATOM 1034 CD2 LEU A 314 42.237 -6.792 0.008 1.00 0.00 C ATOM 0 H LEU A 314 41.151 -3.200 1.126 1.00 0.00 H new ATOM 0 HA LEU A 314 43.454 -4.486 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 314 40.712 -3.886 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 314 41.916 -4.827 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 314 40.703 -5.534 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 314 39.630 -7.375 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 314 39.123 -5.783 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 314 40.316 -6.746 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 314 41.876 -7.685 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 314 42.649 -7.069 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 314 43.013 -6.320 0.610 1.00 0.00 H new ATOM 1046 N ARG A 315 42.606 -1.629 -1.314 1.00 0.00 N ATOM 1047 CA ARG A 315 43.105 -0.566 -2.180 1.00 0.00 C ATOM 1048 C ARG A 315 44.426 -0.024 -1.647 1.00 0.00 C ATOM 1049 O ARG A 315 45.375 0.184 -2.405 1.00 0.00 O ATOM 1050 CB ARG A 315 42.079 0.564 -2.294 1.00 0.00 C ATOM 1051 CG ARG A 315 40.817 0.165 -3.042 1.00 0.00 C ATOM 1052 CD ARG A 315 39.837 1.324 -3.140 1.00 0.00 C ATOM 1053 NE ARG A 315 38.670 0.990 -3.953 1.00 0.00 N ATOM 1054 CZ ARG A 315 38.728 0.732 -5.257 1.00 0.00 C ATOM 1055 NH1 ARG A 315 39.886 0.797 -5.900 1.00 0.00 N ATOM 1056 NH2 ARG A 315 37.624 0.418 -5.921 1.00 0.00 N ATOM 0 H ARG A 315 41.704 -1.434 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 315 43.271 -0.984 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 315 41.808 0.900 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 315 42.539 1.412 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 315 41.079 -0.177 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 315 40.341 -0.673 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 315 39.512 1.609 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 315 40.342 2.190 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 315 37.759 0.952 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 315 40.737 1.046 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 315 39.926 0.598 -6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 315 36.730 0.374 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 315 37.669 0.220 -6.921 1.00 0.00 H new ATOM 1070 N GLU A 316 44.483 0.192 -0.336 1.00 0.00 N ATOM 1071 CA GLU A 316 45.690 0.696 0.305 1.00 0.00 C ATOM 1072 C GLU A 316 46.840 -0.286 0.113 1.00 0.00 C ATOM 1073 O GLU A 316 47.968 0.110 -0.175 1.00 0.00 O ATOM 1074 CB GLU A 316 45.444 0.932 1.797 1.00 0.00 C ATOM 1075 CG GLU A 316 46.655 1.478 2.535 1.00 0.00 C ATOM 1076 CD GLU A 316 46.386 1.709 4.009 1.00 0.00 C ATOM 1077 OE1 GLU A 316 45.480 2.507 4.330 1.00 0.00 O ATOM 1078 OE2 GLU A 316 47.080 1.091 4.843 1.00 0.00 O ATOM 0 H GLU A 316 43.705 0.025 0.303 1.00 0.00 H new ATOM 0 HA GLU A 316 45.957 1.645 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 316 44.614 1.628 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 316 45.140 -0.007 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 316 47.486 0.781 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 316 46.963 2.417 2.075 1.00 0.00 H new ATOM 1085 N ALA A 317 46.537 -1.572 0.267 1.00 0.00 N ATOM 1086 CA ALA A 317 47.535 -2.621 0.104 1.00 0.00 C ATOM 1087 C ALA A 317 48.044 -2.660 -1.332 1.00 0.00 C ATOM 1088 O ALA A 317 49.228 -2.885 -1.576 1.00 0.00 O ATOM 1089 CB ALA A 317 46.952 -3.970 0.499 1.00 0.00 C ATOM 0 H ALA A 317 45.605 -1.912 0.505 1.00 0.00 H new ATOM 0 HA ALA A 317 48.378 -2.400 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 317 47.708 -4.744 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 317 46.636 -3.939 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 317 46.093 -4.195 -0.134 1.00 0.00 H new ATOM 1095 N GLU A 318 47.136 -2.437 -2.277 1.00 0.00 N ATOM 1096 CA GLU A 318 47.485 -2.440 -3.693 1.00 0.00 C ATOM 1097 C GLU A 318 48.482 -1.330 -4.006 1.00 0.00 C ATOM 1098 O GLU A 318 49.469 -1.548 -4.707 1.00 0.00 O ATOM 1099 CB GLU A 318 46.226 -2.272 -4.548 1.00 0.00 C ATOM 1100 CG GLU A 318 46.498 -2.234 -6.045 1.00 0.00 C ATOM 1101 CD GLU A 318 47.071 -3.536 -6.577 1.00 0.00 C ATOM 1102 OE1 GLU A 318 47.211 -4.495 -5.789 1.00 0.00 O ATOM 1103 OE2 GLU A 318 47.374 -3.597 -7.787 1.00 0.00 O ATOM 0 H GLU A 318 46.151 -2.252 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 318 47.950 -3.397 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 318 45.541 -3.092 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 318 45.721 -1.351 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 318 45.570 -2.010 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 318 47.192 -1.422 -6.262 1.00 0.00 H new ATOM 1110 N GLU A 319 48.215 -0.138 -3.481 1.00 0.00 N ATOM 1111 CA GLU A 319 49.088 1.009 -3.703 1.00 0.00 C ATOM 1112 C GLU A 319 50.445 0.800 -3.034 1.00 0.00 C ATOM 1113 O GLU A 319 51.487 1.050 -3.637 1.00 0.00 O ATOM 1114 CB GLU A 319 48.434 2.286 -3.170 1.00 0.00 C ATOM 1115 CG GLU A 319 49.269 3.538 -3.388 1.00 0.00 C ATOM 1116 CD GLU A 319 48.595 4.790 -2.862 1.00 0.00 C ATOM 1117 OE1 GLU A 319 47.476 4.680 -2.317 1.00 0.00 O ATOM 1118 OE2 GLU A 319 49.187 5.882 -2.994 1.00 0.00 O ATOM 0 H GLU A 319 47.401 0.058 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 319 49.245 1.111 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 319 47.466 2.417 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 319 48.244 2.168 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 319 50.234 3.416 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 319 49.467 3.657 -4.453 1.00 0.00 H new ATOM 1125 N ALA A 320 50.421 0.342 -1.786 1.00 0.00 N ATOM 1126 CA ALA A 320 51.648 0.101 -1.034 1.00 0.00 C ATOM 1127 C ALA A 320 52.528 -0.931 -1.731 1.00 0.00 C ATOM 1128 O ALA A 320 53.730 -0.725 -1.898 1.00 0.00 O ATOM 1129 CB ALA A 320 51.317 -0.355 0.380 1.00 0.00 C ATOM 0 H ALA A 320 49.565 0.130 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 320 52.204 1.037 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 320 52.241 -0.532 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 320 50.735 0.417 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 320 50.737 -1.277 0.339 1.00 0.00 H new ATOM 1135 N LYS A 321 51.919 -2.040 -2.136 1.00 0.00 N ATOM 1136 CA LYS A 321 52.642 -3.107 -2.818 1.00 0.00 C ATOM 1137 C LYS A 321 53.180 -2.618 -4.159 1.00 0.00 C ATOM 1138 O LYS A 321 54.298 -2.954 -4.552 1.00 0.00 O ATOM 1139 CB LYS A 321 51.727 -4.315 -3.033 1.00 0.00 C ATOM 1140 CG LYS A 321 52.437 -5.523 -3.625 1.00 0.00 C ATOM 1141 CD LYS A 321 53.490 -6.077 -2.675 1.00 0.00 C ATOM 1142 CE LYS A 321 52.869 -6.575 -1.378 1.00 0.00 C ATOM 1143 NZ LYS A 321 51.877 -7.660 -1.615 1.00 0.00 N ATOM 0 H LYS A 321 50.924 -2.224 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 321 53.483 -3.405 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 321 51.283 -4.598 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 321 50.908 -4.027 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 321 51.707 -6.300 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 321 52.908 -5.243 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 321 54.025 -6.894 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 321 54.224 -5.303 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 321 53.655 -6.940 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 321 52.383 -5.744 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 51.643 -8.119 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 51.014 -7.256 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 52.281 -8.363 -2.266 1.00 0.00 H new ATOM 1157 N LEU A 322 52.371 -1.826 -4.855 1.00 0.00 N ATOM 1158 CA LEU A 322 52.755 -1.286 -6.155 1.00 0.00 C ATOM 1159 C LEU A 322 54.040 -0.471 -6.033 1.00 0.00 C ATOM 1160 O LEU A 322 54.973 -0.645 -6.817 1.00 0.00 O ATOM 1161 CB LEU A 322 51.617 -0.419 -6.714 1.00 0.00 C ATOM 1162 CG LEU A 322 51.692 -0.087 -8.213 1.00 0.00 C ATOM 1163 CD1 LEU A 322 52.866 0.833 -8.519 1.00 0.00 C ATOM 1164 CD2 LEU A 322 51.785 -1.363 -9.038 1.00 0.00 C ATOM 0 H LEU A 322 51.443 -1.543 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 322 52.939 -2.111 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 322 50.672 -0.928 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 322 51.593 0.517 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 322 50.777 0.439 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 322 52.891 1.048 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 322 52.753 1.764 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 322 53.796 0.346 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 322 51.837 -1.109 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 322 52.680 -1.916 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 322 50.904 -1.979 -8.856 1.00 0.00 H new