USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 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 72:sc= 0.0139 USER MOD Single : A 272 LYS NZ :NH3+ -141:sc= -3.54! (180deg=-5.93!) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 311 GLN : amide:sc= -2.3 K(o=-2.3,f=-6.3!) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 165:sc= -0.0276 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 58.395 0.353 3.621 1.00 0.00 N ATOM 156 CA GLU A 259 57.787 1.082 2.512 1.00 0.00 C ATOM 157 C GLU A 259 56.638 0.291 1.895 1.00 0.00 C ATOM 158 O GLU A 259 55.648 0.869 1.450 1.00 0.00 O ATOM 159 CB GLU A 259 58.829 1.407 1.436 1.00 0.00 C ATOM 160 CG GLU A 259 59.490 0.180 0.824 1.00 0.00 C ATOM 161 CD GLU A 259 60.585 -0.405 1.698 1.00 0.00 C ATOM 162 OE1 GLU A 259 60.955 0.239 2.702 1.00 0.00 O ATOM 163 OE2 GLU A 259 61.086 -1.499 1.365 1.00 0.00 O ATOM 0 HA GLU A 259 57.390 2.014 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 259 58.351 1.983 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 259 59.600 2.043 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 259 58.732 -0.582 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 259 59.911 0.447 -0.145 1.00 0.00 H new ATOM 170 N GLU A 260 56.779 -1.032 1.867 1.00 0.00 N ATOM 171 CA GLU A 260 55.751 -1.898 1.300 1.00 0.00 C ATOM 172 C GLU A 260 54.386 -1.587 1.906 1.00 0.00 C ATOM 173 O GLU A 260 53.377 -1.555 1.201 1.00 0.00 O ATOM 174 CB GLU A 260 56.104 -3.369 1.531 1.00 0.00 C ATOM 175 CG GLU A 260 55.101 -4.343 0.931 1.00 0.00 C ATOM 176 CD GLU A 260 55.008 -4.238 -0.580 1.00 0.00 C ATOM 177 OE1 GLU A 260 54.616 -3.163 -1.081 1.00 0.00 O ATOM 178 OE2 GLU A 260 55.330 -5.233 -1.263 1.00 0.00 O ATOM 0 H GLU A 260 57.594 -1.526 2.230 1.00 0.00 H new ATOM 0 HA GLU A 260 55.705 -1.710 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 260 57.088 -3.568 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 260 56.177 -3.551 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 260 55.383 -5.360 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 260 54.118 -4.158 1.364 1.00 0.00 H new ATOM 185 N GLU A 261 54.365 -1.352 3.215 1.00 0.00 N ATOM 186 CA GLU A 261 53.126 -1.036 3.915 1.00 0.00 C ATOM 187 C GLU A 261 52.494 0.226 3.335 1.00 0.00 C ATOM 188 O GLU A 261 51.285 0.283 3.106 1.00 0.00 O ATOM 189 CB GLU A 261 53.394 -0.847 5.410 1.00 0.00 C ATOM 190 CG GLU A 261 52.142 -0.566 6.226 1.00 0.00 C ATOM 191 CD GLU A 261 52.441 -0.374 7.700 1.00 0.00 C ATOM 192 OE1 GLU A 261 52.977 -1.314 8.325 1.00 0.00 O ATOM 193 OE2 GLU A 261 52.140 0.716 8.230 1.00 0.00 O ATOM 0 H GLU A 261 55.192 -1.375 3.811 1.00 0.00 H new ATOM 0 HA GLU A 261 52.434 -1.868 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 261 53.877 -1.743 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 261 54.096 -0.024 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 261 51.652 0.327 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 261 51.441 -1.392 6.105 1.00 0.00 H new ATOM 200 N LEU A 262 53.325 1.235 3.097 1.00 0.00 N ATOM 201 CA LEU A 262 52.860 2.498 2.539 1.00 0.00 C ATOM 202 C LEU A 262 52.340 2.302 1.118 1.00 0.00 C ATOM 203 O LEU A 262 51.340 2.900 0.723 1.00 0.00 O ATOM 204 CB LEU A 262 53.994 3.526 2.544 1.00 0.00 C ATOM 205 CG LEU A 262 54.623 3.792 3.915 1.00 0.00 C ATOM 206 CD1 LEU A 262 55.763 4.791 3.794 1.00 0.00 C ATOM 207 CD2 LEU A 262 53.575 4.295 4.897 1.00 0.00 C ATOM 0 H LEU A 262 54.327 1.202 3.283 1.00 0.00 H new ATOM 0 HA LEU A 262 52.042 2.866 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 262 54.774 3.186 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 262 53.612 4.467 2.148 1.00 0.00 H new ATOM 0 HG LEU A 262 55.026 2.853 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 262 56.198 4.968 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 262 56.527 4.393 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 262 55.383 5.730 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 262 54.042 4.478 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 262 53.141 5.222 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 262 52.791 3.546 5.008 1.00 0.00 H new ATOM 219 N ILE A 263 53.032 1.459 0.356 1.00 0.00 N ATOM 220 CA ILE A 263 52.652 1.177 -1.024 1.00 0.00 C ATOM 221 C ILE A 263 51.235 0.619 -1.111 1.00 0.00 C ATOM 222 O ILE A 263 50.382 1.173 -1.805 1.00 0.00 O ATOM 223 CB ILE A 263 53.630 0.174 -1.670 1.00 0.00 C ATOM 224 CG1 ILE A 263 55.015 0.810 -1.818 1.00 0.00 C ATOM 225 CG2 ILE A 263 53.100 -0.299 -3.016 1.00 0.00 C ATOM 226 CD1 ILE A 263 56.060 -0.128 -2.382 1.00 0.00 C ATOM 0 H ILE A 263 53.862 0.958 0.673 1.00 0.00 H new ATOM 0 HA ILE A 263 52.692 2.123 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 263 53.720 -0.697 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 263 54.936 1.683 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 263 55.348 1.165 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 263 53.804 -1.006 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 263 52.135 -0.787 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 263 52.981 0.556 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 263 57.014 0.393 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 263 56.169 -0.990 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 263 55.751 -0.464 -3.372 1.00 0.00 H new ATOM 238 N ARG A 264 50.991 -0.480 -0.405 1.00 0.00 N ATOM 239 CA ARG A 264 49.676 -1.109 -0.406 1.00 0.00 C ATOM 240 C ARG A 264 48.622 -0.145 0.125 1.00 0.00 C ATOM 241 O ARG A 264 47.502 -0.095 -0.381 1.00 0.00 O ATOM 242 CB ARG A 264 49.692 -2.384 0.437 1.00 0.00 C ATOM 243 CG ARG A 264 49.992 -2.131 1.903 1.00 0.00 C ATOM 244 CD ARG A 264 49.951 -3.413 2.716 1.00 0.00 C ATOM 245 NE ARG A 264 50.030 -3.148 4.151 1.00 0.00 N ATOM 246 CZ ARG A 264 49.088 -2.504 4.837 1.00 0.00 C ATOM 247 NH1 ARG A 264 47.989 -2.078 4.227 1.00 0.00 N ATOM 248 NH2 ARG A 264 49.244 -2.291 6.136 1.00 0.00 N ATOM 0 H ARG A 264 51.685 -0.952 0.174 1.00 0.00 H new ATOM 0 HA ARG A 264 49.424 -1.371 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 264 48.725 -2.880 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 264 50.438 -3.069 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 264 50.976 -1.671 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 264 49.268 -1.422 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 264 49.030 -3.954 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 264 50.778 -4.058 2.419 1.00 0.00 H new ATOM 0 HE ARG A 264 50.854 -3.475 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 264 47.863 -2.244 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 264 47.270 -1.585 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 264 50.085 -2.620 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 264 48.523 -1.798 6.662 1.00 0.00 H new ATOM 262 N LYS A 265 48.991 0.618 1.150 1.00 0.00 N ATOM 263 CA LYS A 265 48.081 1.583 1.753 1.00 0.00 C ATOM 264 C LYS A 265 47.645 2.629 0.730 1.00 0.00 C ATOM 265 O LYS A 265 46.477 3.012 0.679 1.00 0.00 O ATOM 266 CB LYS A 265 48.750 2.267 2.948 1.00 0.00 C ATOM 267 CG LYS A 265 47.843 3.237 3.689 1.00 0.00 C ATOM 268 CD LYS A 265 46.648 2.524 4.304 1.00 0.00 C ATOM 269 CE LYS A 265 45.752 3.491 5.061 1.00 0.00 C ATOM 270 NZ LYS A 265 44.600 2.797 5.699 1.00 0.00 N ATOM 0 H LYS A 265 49.915 0.585 1.580 1.00 0.00 H new ATOM 0 HA LYS A 265 47.197 1.048 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 265 49.096 1.503 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 265 49.633 2.804 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 265 48.410 3.741 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 265 47.494 4.008 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 265 46.073 2.032 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 265 46.997 1.744 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 265 46.336 4.004 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 265 45.382 4.255 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 44.014 3.491 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 44.028 2.329 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 44.952 2.086 6.371 1.00 0.00 H new ATOM 284 N ALA A 266 48.595 3.086 -0.081 1.00 0.00 N ATOM 285 CA ALA A 266 48.315 4.087 -1.104 1.00 0.00 C ATOM 286 C ALA A 266 47.360 3.540 -2.160 1.00 0.00 C ATOM 287 O ALA A 266 46.366 4.181 -2.504 1.00 0.00 O ATOM 288 CB ALA A 266 49.609 4.555 -1.751 1.00 0.00 C ATOM 0 H ALA A 266 49.567 2.778 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 266 47.834 4.938 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 266 49.386 5.302 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 266 50.257 4.993 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 266 50.113 3.706 -2.212 1.00 0.00 H new ATOM 294 N ILE A 267 47.668 2.350 -2.670 1.00 0.00 N ATOM 295 CA ILE A 267 46.835 1.716 -3.685 1.00 0.00 C ATOM 296 C ILE A 267 45.421 1.493 -3.161 1.00 0.00 C ATOM 297 O ILE A 267 44.441 1.813 -3.833 1.00 0.00 O ATOM 298 CB ILE A 267 47.427 0.364 -4.134 1.00 0.00 C ATOM 299 CG1 ILE A 267 48.848 0.555 -4.677 1.00 0.00 C ATOM 300 CG2 ILE A 267 46.535 -0.289 -5.182 1.00 0.00 C ATOM 301 CD1 ILE A 267 48.928 1.473 -5.879 1.00 0.00 C ATOM 0 H ILE A 267 48.487 1.807 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 267 46.804 2.389 -4.542 1.00 0.00 H new ATOM 0 HB ILE A 267 47.476 -0.296 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 267 49.479 0.956 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 267 49.257 -0.418 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 267 46.969 -1.241 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 267 45.544 -0.460 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 267 46.453 0.366 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 267 49.965 1.557 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 267 48.326 1.064 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 267 48.551 2.460 -5.609 1.00 0.00 H new ATOM 313 N GLU A 268 45.328 0.947 -1.953 1.00 0.00 N ATOM 314 CA GLU A 268 44.040 0.682 -1.324 1.00 0.00 C ATOM 315 C GLU A 268 43.271 1.981 -1.103 1.00 0.00 C ATOM 316 O GLU A 268 42.048 2.021 -1.238 1.00 0.00 O ATOM 317 CB GLU A 268 44.240 -0.043 0.009 1.00 0.00 C ATOM 318 CG GLU A 268 42.940 -0.381 0.722 1.00 0.00 C ATOM 319 CD GLU A 268 43.167 -1.101 2.036 1.00 0.00 C ATOM 320 OE1 GLU A 268 43.770 -2.195 2.018 1.00 0.00 O ATOM 321 OE2 GLU A 268 42.741 -0.572 3.085 1.00 0.00 O ATOM 0 H GLU A 268 46.134 0.678 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 268 43.459 0.044 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 268 44.797 -0.963 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 268 44.852 0.579 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 268 42.382 0.537 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 268 42.325 -1.003 0.072 1.00 0.00 H new ATOM 328 N LEU A 269 43.999 3.040 -0.763 1.00 0.00 N ATOM 329 CA LEU A 269 43.392 4.344 -0.523 1.00 0.00 C ATOM 330 C LEU A 269 42.684 4.830 -1.783 1.00 0.00 C ATOM 331 O LEU A 269 41.536 5.273 -1.732 1.00 0.00 O ATOM 332 CB LEU A 269 44.469 5.349 -0.090 1.00 0.00 C ATOM 333 CG LEU A 269 43.958 6.659 0.527 1.00 0.00 C ATOM 334 CD1 LEU A 269 45.112 7.434 1.144 1.00 0.00 C ATOM 335 CD2 LEU A 269 43.250 7.516 -0.511 1.00 0.00 C ATOM 0 H LEU A 269 45.012 3.020 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 269 42.656 4.255 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 269 45.123 4.861 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 269 45.080 5.594 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 269 43.239 6.406 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 269 44.737 8.361 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 269 45.580 6.832 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 269 45.848 7.666 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 269 42.899 8.437 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 269 43.943 7.758 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 269 42.400 6.968 -0.917 1.00 0.00 H new ATOM 347 N SER A 270 43.377 4.739 -2.913 1.00 0.00 N ATOM 348 CA SER A 270 42.819 5.166 -4.191 1.00 0.00 C ATOM 349 C SER A 270 41.617 4.309 -4.573 1.00 0.00 C ATOM 350 O SER A 270 40.597 4.822 -5.033 1.00 0.00 O ATOM 351 CB SER A 270 43.884 5.090 -5.286 1.00 0.00 C ATOM 352 OG SER A 270 44.999 5.905 -4.970 1.00 0.00 O ATOM 0 H SER A 270 44.327 4.373 -2.970 1.00 0.00 H new ATOM 0 HA SER A 270 42.487 6.199 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 270 44.208 4.057 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 270 43.456 5.407 -6.237 1.00 0.00 H new ATOM 0 HG SER A 270 45.503 5.499 -4.234 1.00 0.00 H new ATOM 358 N LEU A 271 41.745 3.000 -4.379 1.00 0.00 N ATOM 359 CA LEU A 271 40.670 2.067 -4.702 1.00 0.00 C ATOM 360 C LEU A 271 39.415 2.375 -3.892 1.00 0.00 C ATOM 361 O LEU A 271 38.297 2.261 -4.396 1.00 0.00 O ATOM 362 CB LEU A 271 41.118 0.626 -4.444 1.00 0.00 C ATOM 363 CG LEU A 271 42.295 0.146 -5.298 1.00 0.00 C ATOM 364 CD1 LEU A 271 42.670 -1.282 -4.932 1.00 0.00 C ATOM 365 CD2 LEU A 271 41.958 0.246 -6.779 1.00 0.00 C ATOM 0 H LEU A 271 42.583 2.561 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 271 40.433 2.182 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 271 41.390 0.530 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 271 40.270 -0.037 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 271 43.151 0.790 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 271 43.508 -1.607 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 271 42.954 -1.325 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 271 41.817 -1.938 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 271 42.807 -0.100 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 271 41.088 -0.374 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 271 41.738 1.283 -7.033 1.00 0.00 H new ATOM 377 N LYS A 272 39.608 2.764 -2.634 1.00 0.00 N ATOM 378 CA LYS A 272 38.493 3.088 -1.752 1.00 0.00 C ATOM 379 C LYS A 272 37.593 4.146 -2.383 1.00 0.00 C ATOM 380 O LYS A 272 36.370 4.007 -2.388 1.00 0.00 O ATOM 381 CB LYS A 272 39.014 3.579 -0.399 1.00 0.00 C ATOM 382 CG LYS A 272 37.915 3.932 0.591 1.00 0.00 C ATOM 383 CD LYS A 272 38.476 4.346 1.947 1.00 0.00 C ATOM 384 CE LYS A 272 39.255 5.654 1.875 1.00 0.00 C ATOM 385 NZ LYS A 272 40.529 5.515 1.116 1.00 0.00 N ATOM 0 H LYS A 272 40.527 2.862 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 272 37.905 2.183 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 272 39.649 2.808 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 272 39.642 4.456 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 272 37.310 4.743 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 272 37.254 3.075 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 272 37.658 4.452 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 272 39.128 3.558 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 272 38.636 6.417 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 272 39.473 6.000 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 41.273 6.072 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 40.810 4.514 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 40.394 5.861 0.145 1.00 0.00 H new ATOM 892 N ASP A 305 -41.279 11.934 6.215 1.00 0.00 N ATOM 893 CA ASP A 305 -42.537 11.443 5.660 1.00 0.00 C ATOM 894 C ASP A 305 -42.295 10.225 4.775 1.00 0.00 C ATOM 895 O ASP A 305 -42.978 9.206 4.898 1.00 0.00 O ATOM 896 CB ASP A 305 -43.232 12.544 4.858 1.00 0.00 C ATOM 897 CG ASP A 305 -44.556 12.086 4.278 1.00 0.00 C ATOM 898 OD1 ASP A 305 -45.448 11.706 5.064 1.00 0.00 O ATOM 899 OD2 ASP A 305 -44.700 12.110 3.037 1.00 0.00 O ATOM 0 HA ASP A 305 -43.183 11.149 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -43.399 13.408 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -42.577 12.870 4.050 1.00 0.00 H new ATOM 904 N LEU A 306 -41.310 10.335 3.889 1.00 0.00 N ATOM 905 CA LEU A 306 -40.967 9.242 2.989 1.00 0.00 C ATOM 906 C LEU A 306 -40.563 8.006 3.782 1.00 0.00 C ATOM 907 O LEU A 306 -40.787 6.879 3.345 1.00 0.00 O ATOM 908 CB LEU A 306 -39.838 9.656 2.043 1.00 0.00 C ATOM 909 CG LEU A 306 -40.176 10.805 1.089 1.00 0.00 C ATOM 910 CD1 LEU A 306 -38.986 11.123 0.198 1.00 0.00 C ATOM 911 CD2 LEU A 306 -41.397 10.463 0.247 1.00 0.00 C ATOM 0 H LEU A 306 -40.736 11.170 3.776 1.00 0.00 H new ATOM 0 HA LEU A 306 -41.847 9.002 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -38.972 9.943 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -39.544 8.789 1.452 1.00 0.00 H new ATOM 0 HG LEU A 306 -40.408 11.688 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -39.243 11.942 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -38.136 11.414 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -38.724 10.242 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -41.620 11.293 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -41.195 9.566 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -42.251 10.285 0.900 1.00 0.00 H new ATOM 923 N LYS A 307 -39.969 8.226 4.952 1.00 0.00 N ATOM 924 CA LYS A 307 -39.541 7.128 5.812 1.00 0.00 C ATOM 925 C LYS A 307 -40.728 6.239 6.167 1.00 0.00 C ATOM 926 O LYS A 307 -40.660 5.017 6.047 1.00 0.00 O ATOM 927 CB LYS A 307 -38.896 7.675 7.088 1.00 0.00 C ATOM 928 CG LYS A 307 -38.441 6.594 8.059 1.00 0.00 C ATOM 929 CD LYS A 307 -37.852 7.191 9.329 1.00 0.00 C ATOM 930 CE LYS A 307 -36.608 8.016 9.040 1.00 0.00 C ATOM 931 NZ LYS A 307 -36.046 8.627 10.276 1.00 0.00 N ATOM 0 H LYS A 307 -39.773 9.155 5.326 1.00 0.00 H new ATOM 0 HA LYS A 307 -38.805 6.532 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -38.038 8.290 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -39.608 8.327 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -39.286 5.955 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -37.697 5.960 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -38.599 7.818 9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -37.604 6.391 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -35.853 7.383 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -36.852 8.802 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -35.199 9.181 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -36.757 9.251 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -35.789 7.876 10.948 1.00 0.00 H new ATOM 945 N ALA A 308 -41.818 6.865 6.595 1.00 0.00 N ATOM 946 CA ALA A 308 -43.023 6.134 6.959 1.00 0.00 C ATOM 947 C ALA A 308 -43.649 5.476 5.735 1.00 0.00 C ATOM 948 O ALA A 308 -44.123 4.342 5.802 1.00 0.00 O ATOM 949 CB ALA A 308 -44.023 7.063 7.631 1.00 0.00 C ATOM 0 H ALA A 308 -41.891 7.877 6.698 1.00 0.00 H new ATOM 0 HA ALA A 308 -42.746 5.349 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -44.919 6.502 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -43.578 7.486 8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -44.289 7.868 6.946 1.00 0.00 H new ATOM 955 N ALA A 309 -43.651 6.200 4.620 1.00 0.00 N ATOM 956 CA ALA A 309 -44.223 5.694 3.376 1.00 0.00 C ATOM 957 C ALA A 309 -43.505 4.435 2.897 1.00 0.00 C ATOM 958 O ALA A 309 -44.144 3.460 2.502 1.00 0.00 O ATOM 959 CB ALA A 309 -44.174 6.770 2.302 1.00 0.00 C ATOM 0 H ALA A 309 -43.262 7.141 4.552 1.00 0.00 H new ATOM 0 HA ALA A 309 -45.262 5.428 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -44.603 6.382 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -44.745 7.638 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -43.139 7.062 2.126 1.00 0.00 H new ATOM 965 N ILE A 310 -42.174 4.462 2.925 1.00 0.00 N ATOM 966 CA ILE A 310 -41.378 3.323 2.482 1.00 0.00 C ATOM 967 C ILE A 310 -41.560 2.134 3.428 1.00 0.00 C ATOM 968 O ILE A 310 -41.691 0.995 2.981 1.00 0.00 O ATOM 969 CB ILE A 310 -39.876 3.697 2.355 1.00 0.00 C ATOM 970 CG1 ILE A 310 -39.124 2.692 1.466 1.00 0.00 C ATOM 971 CG2 ILE A 310 -39.218 3.797 3.725 1.00 0.00 C ATOM 972 CD1 ILE A 310 -38.920 1.325 2.089 1.00 0.00 C ATOM 0 H ILE A 310 -41.626 5.259 3.249 1.00 0.00 H new ATOM 0 HA ILE A 310 -41.734 3.035 1.493 1.00 0.00 H new ATOM 0 HB ILE A 310 -39.821 4.676 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -39.673 2.572 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -38.150 3.110 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -38.167 4.060 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -39.719 4.565 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -39.296 2.838 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -38.382 0.684 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -38.342 1.426 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -39.889 0.881 2.317 1.00 0.00 H new ATOM 984 N GLN A 311 -41.582 2.402 4.733 1.00 0.00 N ATOM 985 CA GLN A 311 -41.763 1.344 5.724 1.00 0.00 C ATOM 986 C GLN A 311 -43.064 0.589 5.475 1.00 0.00 C ATOM 987 O GLN A 311 -43.091 -0.642 5.474 1.00 0.00 O ATOM 988 CB GLN A 311 -41.762 1.926 7.139 1.00 0.00 C ATOM 989 CG GLN A 311 -40.415 2.481 7.575 1.00 0.00 C ATOM 990 CD GLN A 311 -39.359 1.403 7.732 1.00 0.00 C ATOM 991 OE1 GLN A 311 -39.024 0.699 6.780 1.00 0.00 O ATOM 992 NE2 GLN A 311 -38.828 1.270 8.942 1.00 0.00 N ATOM 0 H GLN A 311 -41.477 3.337 5.126 1.00 0.00 H new ATOM 0 HA GLN A 311 -40.930 0.647 5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -42.507 2.720 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -42.069 1.150 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -40.074 3.213 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -40.533 3.008 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -39.135 1.875 9.703 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -38.113 0.562 9.110 1.00 0.00 H new ATOM 1001 N GLU A 312 -44.140 1.336 5.258 1.00 0.00 N ATOM 1002 CA GLU A 312 -45.445 0.742 5.000 1.00 0.00 C ATOM 1003 C GLU A 312 -45.474 0.088 3.623 1.00 0.00 C ATOM 1004 O GLU A 312 -46.168 -0.906 3.409 1.00 0.00 O ATOM 1005 CB GLU A 312 -46.544 1.801 5.105 1.00 0.00 C ATOM 1006 CG GLU A 312 -46.608 2.473 6.466 1.00 0.00 C ATOM 1007 CD GLU A 312 -47.685 3.537 6.542 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -47.619 4.506 5.756 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -48.594 3.403 7.389 1.00 0.00 O ATOM 0 H GLU A 312 -44.134 2.356 5.256 1.00 0.00 H new ATOM 0 HA GLU A 312 -45.626 -0.026 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -46.380 2.561 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -47.507 1.337 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -46.793 1.719 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -45.641 2.924 6.690 1.00 0.00 H new ATOM 1016 N SER A 313 -44.716 0.652 2.692 1.00 0.00 N ATOM 1017 CA SER A 313 -44.653 0.118 1.339 1.00 0.00 C ATOM 1018 C SER A 313 -44.041 -1.279 1.343 1.00 0.00 C ATOM 1019 O SER A 313 -44.552 -2.195 0.697 1.00 0.00 O ATOM 1020 CB SER A 313 -43.836 1.047 0.439 1.00 0.00 C ATOM 1021 OG SER A 313 -43.780 0.552 -0.888 1.00 0.00 O ATOM 0 H SER A 313 -44.138 1.477 2.849 1.00 0.00 H new ATOM 0 HA SER A 313 -45.668 0.052 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 313 -44.280 2.043 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 313 -42.826 1.147 0.836 1.00 0.00 H new ATOM 0 HG SER A 313 -43.254 1.164 -1.444 1.00 0.00 H new ATOM 1027 N LEU A 314 -42.943 -1.435 2.078 1.00 0.00 N ATOM 1028 CA LEU A 314 -42.260 -2.720 2.169 1.00 0.00 C ATOM 1029 C LEU A 314 -43.044 -3.705 3.032 1.00 0.00 C ATOM 1030 O LEU A 314 -43.035 -4.907 2.772 1.00 0.00 O ATOM 1031 CB LEU A 314 -40.831 -2.538 2.705 1.00 0.00 C ATOM 1032 CG LEU A 314 -40.703 -1.901 4.094 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -40.989 -2.918 5.190 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -39.317 -1.302 4.274 1.00 0.00 C ATOM 0 H LEU A 314 -42.508 -0.687 2.619 1.00 0.00 H new ATOM 0 HA LEU A 314 -42.198 -3.138 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -40.348 -3.515 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -40.275 -1.926 1.995 1.00 0.00 H new ATOM 0 HG LEU A 314 -41.443 -1.104 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -40.891 -2.440 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -42.002 -3.302 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -40.278 -3.741 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -39.240 -0.853 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -38.566 -2.085 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -39.150 -0.537 3.515 1.00 0.00 H new ATOM 1046 N ARG A 315 -43.720 -3.196 4.064 1.00 0.00 N ATOM 1047 CA ARG A 315 -44.499 -4.054 4.951 1.00 0.00 C ATOM 1048 C ARG A 315 -45.678 -4.663 4.195 1.00 0.00 C ATOM 1049 O ARG A 315 -45.986 -5.845 4.348 1.00 0.00 O ATOM 1050 CB ARG A 315 -44.992 -3.274 6.180 1.00 0.00 C ATOM 1051 CG ARG A 315 -46.228 -2.431 5.928 1.00 0.00 C ATOM 1052 CD ARG A 315 -46.702 -1.709 7.184 1.00 0.00 C ATOM 1053 NE ARG A 315 -47.154 -2.630 8.230 1.00 0.00 N ATOM 1054 CZ ARG A 315 -46.343 -3.242 9.093 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -45.042 -2.984 9.090 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -46.838 -4.097 9.978 1.00 0.00 N ATOM 0 H ARG A 315 -43.743 -2.205 4.302 1.00 0.00 H new ATOM 0 HA ARG A 315 -43.853 -4.859 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -45.205 -3.980 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -44.189 -2.626 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -46.013 -1.699 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -47.029 -3.068 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -45.890 -1.094 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -47.517 -1.033 6.924 1.00 0.00 H new ATOM 0 HE ARG A 315 -48.154 -2.815 8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -44.657 -2.314 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -44.427 -3.456 9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -47.840 -4.287 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -46.217 -4.565 10.638 1.00 0.00 H new ATOM 1070 N GLU A 316 -46.327 -3.844 3.370 1.00 0.00 N ATOM 1071 CA GLU A 316 -47.466 -4.292 2.579 1.00 0.00 C ATOM 1072 C GLU A 316 -47.010 -5.246 1.481 1.00 0.00 C ATOM 1073 O GLU A 316 -47.647 -6.268 1.230 1.00 0.00 O ATOM 1074 CB GLU A 316 -48.196 -3.085 1.976 1.00 0.00 C ATOM 1075 CG GLU A 316 -49.450 -3.443 1.188 1.00 0.00 C ATOM 1076 CD GLU A 316 -49.156 -3.917 -0.225 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -47.987 -3.830 -0.654 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -50.103 -4.358 -0.910 1.00 0.00 O ATOM 0 H GLU A 316 -46.081 -2.864 3.233 1.00 0.00 H new ATOM 0 HA GLU A 316 -48.157 -4.827 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -48.468 -2.401 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -47.509 -2.549 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -49.995 -4.223 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -50.104 -2.572 1.143 1.00 0.00 H new ATOM 1085 N ALA A 317 -45.902 -4.903 0.831 1.00 0.00 N ATOM 1086 CA ALA A 317 -45.356 -5.727 -0.240 1.00 0.00 C ATOM 1087 C ALA A 317 -44.922 -7.091 0.285 1.00 0.00 C ATOM 1088 O ALA A 317 -45.155 -8.116 -0.356 1.00 0.00 O ATOM 1089 CB ALA A 317 -44.184 -5.020 -0.906 1.00 0.00 C ATOM 0 H ALA A 317 -45.365 -4.059 1.028 1.00 0.00 H new ATOM 0 HA ALA A 317 -46.141 -5.883 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -43.786 -5.647 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -44.521 -4.071 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -43.404 -4.834 -0.168 1.00 0.00 H new ATOM 1095 N GLU A 318 -44.287 -7.095 1.453 1.00 0.00 N ATOM 1096 CA GLU A 318 -43.817 -8.332 2.066 1.00 0.00 C ATOM 1097 C GLU A 318 -44.989 -9.232 2.444 1.00 0.00 C ATOM 1098 O GLU A 318 -44.997 -10.422 2.130 1.00 0.00 O ATOM 1099 CB GLU A 318 -42.977 -8.021 3.306 1.00 0.00 C ATOM 1100 CG GLU A 318 -42.410 -9.257 3.986 1.00 0.00 C ATOM 1101 CD GLU A 318 -41.483 -10.048 3.083 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -40.458 -9.484 2.645 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -41.782 -11.230 2.814 1.00 0.00 O ATOM 0 H GLU A 318 -44.086 -6.254 1.994 1.00 0.00 H new ATOM 0 HA GLU A 318 -43.199 -8.858 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -42.155 -7.364 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -43.590 -7.473 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -41.868 -8.957 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -43.231 -9.898 4.309 1.00 0.00 H new ATOM 1110 N GLU A 319 -45.980 -8.653 3.117 1.00 0.00 N ATOM 1111 CA GLU A 319 -47.160 -9.402 3.535 1.00 0.00 C ATOM 1112 C GLU A 319 -47.905 -9.952 2.324 1.00 0.00 C ATOM 1113 O GLU A 319 -48.310 -11.117 2.304 1.00 0.00 O ATOM 1114 CB GLU A 319 -48.089 -8.507 4.358 1.00 0.00 C ATOM 1115 CG GLU A 319 -49.351 -9.212 4.834 1.00 0.00 C ATOM 1116 CD GLU A 319 -50.263 -8.303 5.635 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -49.909 -7.120 5.823 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -51.333 -8.775 6.075 1.00 0.00 O ATOM 0 H GLU A 319 -45.989 -7.669 3.384 1.00 0.00 H new ATOM 0 HA GLU A 319 -46.834 -10.240 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -47.544 -8.131 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -48.371 -7.641 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -49.895 -9.596 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -49.074 -10.071 5.445 1.00 0.00 H new ATOM 1125 N ALA A 320 -48.079 -9.104 1.316 1.00 0.00 N ATOM 1126 CA ALA A 320 -48.772 -9.493 0.096 1.00 0.00 C ATOM 1127 C ALA A 320 -48.046 -10.635 -0.605 1.00 0.00 C ATOM 1128 O ALA A 320 -48.666 -11.599 -1.042 1.00 0.00 O ATOM 1129 CB ALA A 320 -48.907 -8.299 -0.837 1.00 0.00 C ATOM 0 H ALA A 320 -47.748 -8.139 1.321 1.00 0.00 H new ATOM 0 HA ALA A 320 -49.768 -9.842 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -49.427 -8.604 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -49.475 -7.512 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -47.916 -7.925 -1.094 1.00 0.00 H new ATOM 1135 N LYS A 321 -46.727 -10.518 -0.705 1.00 0.00 N ATOM 1136 CA LYS A 321 -45.916 -11.543 -1.352 1.00 0.00 C ATOM 1137 C LYS A 321 -46.036 -12.876 -0.619 1.00 0.00 C ATOM 1138 O LYS A 321 -46.100 -13.936 -1.243 1.00 0.00 O ATOM 1139 CB LYS A 321 -44.450 -11.106 -1.400 1.00 0.00 C ATOM 1140 CG LYS A 321 -43.535 -12.115 -2.076 1.00 0.00 C ATOM 1141 CD LYS A 321 -42.083 -11.667 -2.031 1.00 0.00 C ATOM 1142 CE LYS A 321 -41.172 -12.654 -2.745 1.00 0.00 C ATOM 1143 NZ LYS A 321 -41.517 -12.788 -4.187 1.00 0.00 N ATOM 0 H LYS A 321 -46.196 -9.724 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 321 -46.284 -11.674 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -44.380 -10.155 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -44.098 -10.933 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -43.634 -13.083 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -43.843 -12.250 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -41.990 -10.684 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -41.766 -11.562 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -40.137 -12.327 -2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -41.245 -13.629 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -40.737 -13.259 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -42.384 -13.354 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -41.672 -11.844 -4.596 1.00 0.00 H new ATOM 1157 N LEU A 322 -46.055 -12.814 0.709 1.00 0.00 N ATOM 1158 CA LEU A 322 -46.155 -14.015 1.533 1.00 0.00 C ATOM 1159 C LEU A 322 -47.455 -14.771 1.267 1.00 0.00 C ATOM 1160 O LEU A 322 -47.436 -15.968 0.980 1.00 0.00 O ATOM 1161 CB LEU A 322 -46.063 -13.644 3.016 1.00 0.00 C ATOM 1162 CG LEU A 322 -46.110 -14.825 3.989 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -44.936 -15.763 3.753 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -46.115 -14.326 5.426 1.00 0.00 C ATOM 0 H LEU A 322 -46.002 -11.944 1.239 1.00 0.00 H new ATOM 0 HA LEU A 322 -45.325 -14.670 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -45.135 -13.096 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -46.881 -12.964 3.255 1.00 0.00 H new ATOM 0 HG LEU A 322 -47.031 -15.381 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -44.988 -16.595 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -44.975 -16.145 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -44.002 -15.221 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -46.149 -15.177 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -45.211 -13.747 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -46.989 -13.696 5.589 1.00 0.00 H new