USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 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+ 143:sc= -3.95! (180deg=-6.02!) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ -145:sc= -3.41! (180deg=-5.83!) USER MOD Single : A 307 LYS NZ :NH3+ 166:sc= -0.0191 (180deg=-0.205) USER MOD Single : A 311 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 313 SER OG : rot 74:sc= 0.543 USER MOD Single : A 321 LYS NZ :NH3+ 165:sc= -0.0342 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 57.600 2.896 -6.787 1.00 0.00 N ATOM 156 CA GLU A 259 56.507 2.066 -7.283 1.00 0.00 C ATOM 157 C GLU A 259 56.070 1.068 -6.216 1.00 0.00 C ATOM 158 O GLU A 259 54.878 0.903 -5.955 1.00 0.00 O ATOM 159 CB GLU A 259 56.931 1.327 -8.555 1.00 0.00 C ATOM 160 CG GLU A 259 57.315 2.252 -9.700 1.00 0.00 C ATOM 161 CD GLU A 259 56.151 3.088 -10.202 1.00 0.00 C ATOM 162 OE1 GLU A 259 55.024 2.911 -9.693 1.00 0.00 O ATOM 163 OE2 GLU A 259 56.366 3.916 -11.112 1.00 0.00 O ATOM 0 HA GLU A 259 55.664 2.714 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 259 57.777 0.679 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 259 56.114 0.682 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 259 58.116 2.914 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 259 57.710 1.657 -10.524 1.00 0.00 H new ATOM 170 N GLU A 260 57.047 0.412 -5.595 1.00 0.00 N ATOM 171 CA GLU A 260 56.769 -0.563 -4.548 1.00 0.00 C ATOM 172 C GLU A 260 56.026 0.094 -3.388 1.00 0.00 C ATOM 173 O GLU A 260 55.086 -0.479 -2.837 1.00 0.00 O ATOM 174 CB GLU A 260 58.070 -1.195 -4.050 1.00 0.00 C ATOM 175 CG GLU A 260 57.862 -2.262 -2.987 1.00 0.00 C ATOM 176 CD GLU A 260 59.161 -2.906 -2.543 1.00 0.00 C ATOM 177 OE1 GLU A 260 60.044 -2.178 -2.043 1.00 0.00 O ATOM 178 OE2 GLU A 260 59.295 -4.138 -2.694 1.00 0.00 O ATOM 0 H GLU A 260 58.038 0.539 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 260 56.137 -1.346 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 260 58.597 -1.635 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 260 58.713 -0.413 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 260 57.368 -1.817 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 260 57.194 -3.031 -3.375 1.00 0.00 H new ATOM 185 N GLU A 261 56.452 1.302 -3.029 1.00 0.00 N ATOM 186 CA GLU A 261 55.824 2.044 -1.941 1.00 0.00 C ATOM 187 C GLU A 261 54.345 2.276 -2.233 1.00 0.00 C ATOM 188 O GLU A 261 53.485 2.039 -1.382 1.00 0.00 O ATOM 189 CB GLU A 261 56.530 3.386 -1.738 1.00 0.00 C ATOM 190 CG GLU A 261 55.919 4.236 -0.635 1.00 0.00 C ATOM 191 CD GLU A 261 56.613 5.575 -0.477 1.00 0.00 C ATOM 192 OE1 GLU A 261 57.576 5.839 -1.227 1.00 0.00 O ATOM 193 OE2 GLU A 261 56.193 6.360 0.399 1.00 0.00 O ATOM 0 H GLU A 261 57.230 1.788 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 261 55.912 1.454 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 261 57.579 3.203 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 261 56.504 3.946 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 261 54.864 4.402 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 261 55.969 3.692 0.308 1.00 0.00 H new ATOM 200 N LEU A 262 54.059 2.735 -3.449 1.00 0.00 N ATOM 201 CA LEU A 262 52.689 2.996 -3.869 1.00 0.00 C ATOM 202 C LEU A 262 51.849 1.730 -3.753 1.00 0.00 C ATOM 203 O LEU A 262 50.700 1.772 -3.314 1.00 0.00 O ATOM 204 CB LEU A 262 52.663 3.512 -5.310 1.00 0.00 C ATOM 205 CG LEU A 262 53.455 4.800 -5.557 1.00 0.00 C ATOM 206 CD1 LEU A 262 53.394 5.192 -7.025 1.00 0.00 C ATOM 207 CD2 LEU A 262 52.929 5.929 -4.682 1.00 0.00 C ATOM 0 H LEU A 262 54.762 2.934 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 262 52.267 3.759 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 262 53.054 2.733 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 262 51.626 3.681 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 262 54.496 4.617 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 262 53.962 6.109 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 262 53.820 4.394 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 262 52.356 5.355 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 262 53.504 6.835 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 262 51.880 6.110 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 262 53.026 5.651 -3.632 1.00 0.00 H new ATOM 219 N ILE A 263 52.436 0.605 -4.148 1.00 0.00 N ATOM 220 CA ILE A 263 51.752 -0.680 -4.086 1.00 0.00 C ATOM 221 C ILE A 263 51.389 -1.038 -2.648 1.00 0.00 C ATOM 222 O ILE A 263 50.282 -1.502 -2.376 1.00 0.00 O ATOM 223 CB ILE A 263 52.621 -1.805 -4.684 1.00 0.00 C ATOM 224 CG1 ILE A 263 52.952 -1.497 -6.147 1.00 0.00 C ATOM 225 CG2 ILE A 263 51.911 -3.147 -4.564 1.00 0.00 C ATOM 226 CD1 ILE A 263 53.880 -2.507 -6.789 1.00 0.00 C ATOM 0 H ILE A 263 53.386 0.558 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 263 50.839 -0.586 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 263 53.554 -1.862 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 263 52.025 -1.455 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 263 53.408 -0.509 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 263 52.538 -3.930 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 263 51.722 -3.366 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 263 50.964 -3.107 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 263 54.068 -2.222 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 263 54.823 -2.533 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 263 53.418 -3.494 -6.763 1.00 0.00 H new ATOM 238 N ARG A 264 52.329 -0.820 -1.731 1.00 0.00 N ATOM 239 CA ARG A 264 52.107 -1.121 -0.320 1.00 0.00 C ATOM 240 C ARG A 264 50.911 -0.346 0.221 1.00 0.00 C ATOM 241 O ARG A 264 49.991 -0.928 0.801 1.00 0.00 O ATOM 242 CB ARG A 264 53.356 -0.785 0.498 1.00 0.00 C ATOM 243 CG ARG A 264 54.585 -1.579 0.089 1.00 0.00 C ATOM 244 CD ARG A 264 55.794 -1.201 0.929 1.00 0.00 C ATOM 245 NE ARG A 264 55.559 -1.420 2.354 1.00 0.00 N ATOM 246 CZ ARG A 264 56.454 -1.152 3.299 1.00 0.00 C ATOM 247 NH1 ARG A 264 57.641 -0.657 2.974 1.00 0.00 N ATOM 248 NH2 ARG A 264 56.161 -1.377 4.573 1.00 0.00 N ATOM 0 H ARG A 264 53.251 -0.436 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 264 51.897 -2.187 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 264 53.571 0.279 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 264 53.150 -0.969 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 264 54.384 -2.645 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 264 54.802 -1.400 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 264 56.656 -1.787 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 264 56.041 -0.153 0.759 1.00 0.00 H new ATOM 0 HE ARG A 264 54.657 -1.800 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 264 57.870 -0.481 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 264 58.325 -0.453 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 264 55.249 -1.756 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 264 56.848 -1.171 5.298 1.00 0.00 H new ATOM 262 N LYS A 265 50.924 0.969 0.024 1.00 0.00 N ATOM 263 CA LYS A 265 49.833 1.814 0.491 1.00 0.00 C ATOM 264 C LYS A 265 48.518 1.389 -0.150 1.00 0.00 C ATOM 265 O LYS A 265 47.483 1.336 0.513 1.00 0.00 O ATOM 266 CB LYS A 265 50.119 3.285 0.183 1.00 0.00 C ATOM 267 CG LYS A 265 51.370 3.816 0.865 1.00 0.00 C ATOM 268 CD LYS A 265 51.570 5.306 0.616 1.00 0.00 C ATOM 269 CE LYS A 265 51.908 5.605 -0.840 1.00 0.00 C ATOM 270 NZ LYS A 265 50.765 5.326 -1.754 1.00 0.00 N ATOM 0 H LYS A 265 51.674 1.469 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 265 49.750 1.696 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 265 50.222 3.409 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 265 49.264 3.886 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 265 51.303 3.634 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 265 52.240 3.268 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 265 50.664 5.844 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 265 52.371 5.676 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 265 52.200 6.651 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 265 52.767 5.005 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 50.742 6.041 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 50.879 4.382 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 49.875 5.360 -1.217 1.00 0.00 H new ATOM 284 N ALA A 266 48.568 1.078 -1.441 1.00 0.00 N ATOM 285 CA ALA A 266 47.381 0.648 -2.170 1.00 0.00 C ATOM 286 C ALA A 266 46.740 -0.557 -1.494 1.00 0.00 C ATOM 287 O ALA A 266 45.519 -0.630 -1.359 1.00 0.00 O ATOM 288 CB ALA A 266 47.735 0.323 -3.614 1.00 0.00 C ATOM 0 H ALA A 266 49.418 1.116 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 266 46.660 1.465 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 266 46.839 0.003 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 266 48.146 1.210 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 266 48.474 -0.477 -3.636 1.00 0.00 H new ATOM 294 N ILE A 267 47.576 -1.498 -1.064 1.00 0.00 N ATOM 295 CA ILE A 267 47.097 -2.700 -0.393 1.00 0.00 C ATOM 296 C ILE A 267 46.440 -2.354 0.940 1.00 0.00 C ATOM 297 O ILE A 267 45.388 -2.894 1.283 1.00 0.00 O ATOM 298 CB ILE A 267 48.245 -3.699 -0.142 1.00 0.00 C ATOM 299 CG1 ILE A 267 48.905 -4.093 -1.465 1.00 0.00 C ATOM 300 CG2 ILE A 267 47.726 -4.932 0.586 1.00 0.00 C ATOM 301 CD1 ILE A 267 50.113 -4.990 -1.299 1.00 0.00 C ATOM 0 H ILE A 267 48.589 -1.450 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 267 46.362 -3.162 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 267 48.994 -3.219 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 267 48.170 -4.600 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 267 49.205 -3.189 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 267 48.548 -5.627 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 267 47.298 -4.636 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 267 46.960 -5.417 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 267 50.527 -5.227 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 267 50.867 -4.478 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 267 49.816 -5.911 -0.798 1.00 0.00 H new ATOM 313 N GLU A 268 47.075 -1.456 1.689 1.00 0.00 N ATOM 314 CA GLU A 268 46.560 -1.040 2.991 1.00 0.00 C ATOM 315 C GLU A 268 45.147 -0.471 2.873 1.00 0.00 C ATOM 316 O GLU A 268 44.231 -0.909 3.571 1.00 0.00 O ATOM 317 CB GLU A 268 47.489 0.004 3.616 1.00 0.00 C ATOM 318 CG GLU A 268 48.916 -0.486 3.813 1.00 0.00 C ATOM 319 CD GLU A 268 49.019 -1.619 4.819 1.00 0.00 C ATOM 320 OE1 GLU A 268 47.981 -2.000 5.400 1.00 0.00 O ATOM 321 OE2 GLU A 268 50.143 -2.121 5.030 1.00 0.00 O ATOM 0 H GLU A 268 47.947 -1.002 1.417 1.00 0.00 H new ATOM 0 HA GLU A 268 46.520 -1.921 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 268 47.503 0.891 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 268 47.082 0.308 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 268 49.315 -0.820 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 268 49.538 0.346 4.145 1.00 0.00 H new ATOM 328 N LEU A 269 44.977 0.506 1.988 1.00 0.00 N ATOM 329 CA LEU A 269 43.674 1.135 1.781 1.00 0.00 C ATOM 330 C LEU A 269 42.655 0.136 1.246 1.00 0.00 C ATOM 331 O LEU A 269 41.492 0.150 1.650 1.00 0.00 O ATOM 332 CB LEU A 269 43.791 2.324 0.823 1.00 0.00 C ATOM 333 CG LEU A 269 44.385 3.602 1.427 1.00 0.00 C ATOM 334 CD1 LEU A 269 45.823 3.381 1.871 1.00 0.00 C ATOM 335 CD2 LEU A 269 44.305 4.744 0.427 1.00 0.00 C ATOM 0 H LEU A 269 45.724 0.880 1.402 1.00 0.00 H new ATOM 0 HA LEU A 269 43.327 1.494 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 269 44.405 2.025 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 269 42.799 2.554 0.434 1.00 0.00 H new ATOM 0 HG LEU A 269 43.799 3.866 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 269 46.219 4.304 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 269 45.854 2.593 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 269 46.428 3.088 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 269 44.730 5.645 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 269 44.865 4.481 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 269 43.263 4.926 0.165 1.00 0.00 H new ATOM 347 N SER A 270 43.092 -0.725 0.334 1.00 0.00 N ATOM 348 CA SER A 270 42.208 -1.724 -0.256 1.00 0.00 C ATOM 349 C SER A 270 41.571 -2.596 0.821 1.00 0.00 C ATOM 350 O SER A 270 40.363 -2.834 0.807 1.00 0.00 O ATOM 351 CB SER A 270 42.979 -2.599 -1.245 1.00 0.00 C ATOM 352 OG SER A 270 42.132 -3.570 -1.834 1.00 0.00 O ATOM 0 H SER A 270 44.051 -0.752 -0.013 1.00 0.00 H new ATOM 0 HA SER A 270 41.415 -1.198 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 270 43.417 -1.974 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 270 43.803 -3.094 -0.732 1.00 0.00 H new ATOM 0 HG SER A 270 42.648 -4.116 -2.463 1.00 0.00 H new ATOM 358 N LEU A 271 42.390 -3.068 1.755 1.00 0.00 N ATOM 359 CA LEU A 271 41.907 -3.911 2.842 1.00 0.00 C ATOM 360 C LEU A 271 41.004 -3.119 3.782 1.00 0.00 C ATOM 361 O LEU A 271 39.992 -3.630 4.263 1.00 0.00 O ATOM 362 CB LEU A 271 43.084 -4.507 3.618 1.00 0.00 C ATOM 363 CG LEU A 271 44.042 -5.365 2.787 1.00 0.00 C ATOM 364 CD1 LEU A 271 45.173 -5.894 3.655 1.00 0.00 C ATOM 365 CD2 LEU A 271 43.296 -6.516 2.126 1.00 0.00 C ATOM 0 H LEU A 271 43.392 -2.881 1.781 1.00 0.00 H new ATOM 0 HA LEU A 271 41.324 -4.724 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 271 43.650 -3.693 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 271 42.691 -5.114 4.433 1.00 0.00 H new ATOM 0 HG LEU A 271 44.470 -4.739 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 271 45.844 -6.502 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 271 45.727 -5.057 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 271 44.760 -6.503 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 271 43.994 -7.114 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 271 42.838 -7.141 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 271 42.521 -6.119 1.471 1.00 0.00 H new ATOM 377 N LYS A 272 41.380 -1.870 4.041 1.00 0.00 N ATOM 378 CA LYS A 272 40.608 -1.002 4.924 1.00 0.00 C ATOM 379 C LYS A 272 39.167 -0.860 4.437 1.00 0.00 C ATOM 380 O LYS A 272 38.239 -0.778 5.242 1.00 0.00 O ATOM 381 CB LYS A 272 41.264 0.378 5.022 1.00 0.00 C ATOM 382 CG LYS A 272 40.504 1.358 5.906 1.00 0.00 C ATOM 383 CD LYS A 272 40.377 0.862 7.342 1.00 0.00 C ATOM 384 CE LYS A 272 41.715 0.868 8.073 1.00 0.00 C ATOM 385 NZ LYS A 272 42.676 -0.115 7.501 1.00 0.00 N ATOM 0 H LYS A 272 42.216 -1.436 3.651 1.00 0.00 H new ATOM 0 HA LYS A 272 40.592 -1.461 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 272 42.276 0.262 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 272 41.353 0.800 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 272 41.015 2.321 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 272 39.509 1.522 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 272 39.668 1.491 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 272 39.970 -0.149 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 272 42.148 1.867 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 272 41.552 0.642 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 43.258 -0.516 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 42.151 -0.878 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 43.291 0.362 6.811 1.00 0.00 H new ATOM 892 N ASP A 305 -39.758 11.629 -6.823 1.00 0.00 N ATOM 893 CA ASP A 305 -40.528 10.604 -7.523 1.00 0.00 C ATOM 894 C ASP A 305 -40.541 9.288 -6.748 1.00 0.00 C ATOM 895 O ASP A 305 -41.574 8.625 -6.655 1.00 0.00 O ATOM 896 CB ASP A 305 -39.956 10.379 -8.926 1.00 0.00 C ATOM 897 CG ASP A 305 -40.759 9.375 -9.733 1.00 0.00 C ATOM 898 OD1 ASP A 305 -40.842 8.201 -9.313 1.00 0.00 O ATOM 899 OD2 ASP A 305 -41.307 9.764 -10.785 1.00 0.00 O ATOM 0 HA ASP A 305 -41.556 10.958 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -39.929 11.329 -9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -38.926 10.031 -8.842 1.00 0.00 H new ATOM 904 N LEU A 306 -39.390 8.912 -6.201 1.00 0.00 N ATOM 905 CA LEU A 306 -39.271 7.670 -5.442 1.00 0.00 C ATOM 906 C LEU A 306 -40.215 7.679 -4.241 1.00 0.00 C ATOM 907 O LEU A 306 -40.903 6.693 -3.975 1.00 0.00 O ATOM 908 CB LEU A 306 -37.821 7.475 -4.979 1.00 0.00 C ATOM 909 CG LEU A 306 -37.428 6.044 -4.579 1.00 0.00 C ATOM 910 CD1 LEU A 306 -38.167 5.598 -3.326 1.00 0.00 C ATOM 911 CD2 LEU A 306 -37.692 5.079 -5.725 1.00 0.00 C ATOM 0 H LEU A 306 -38.525 9.449 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 306 -39.551 6.839 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -37.158 7.802 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -37.641 8.131 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 306 -36.361 6.040 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -37.867 4.582 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -37.923 6.268 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -39.241 5.624 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -37.408 4.071 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -38.752 5.097 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -37.106 5.377 -6.594 1.00 0.00 H new ATOM 923 N LYS A 307 -40.239 8.796 -3.520 1.00 0.00 N ATOM 924 CA LYS A 307 -41.095 8.932 -2.344 1.00 0.00 C ATOM 925 C LYS A 307 -42.556 8.667 -2.698 1.00 0.00 C ATOM 926 O LYS A 307 -43.243 7.903 -2.015 1.00 0.00 O ATOM 927 CB LYS A 307 -40.947 10.332 -1.743 1.00 0.00 C ATOM 928 CG LYS A 307 -41.795 10.558 -0.502 1.00 0.00 C ATOM 929 CD LYS A 307 -41.601 11.958 0.058 1.00 0.00 C ATOM 930 CE LYS A 307 -42.460 12.190 1.291 1.00 0.00 C ATOM 931 NZ LYS A 307 -42.128 11.238 2.387 1.00 0.00 N ATOM 0 H LYS A 307 -39.676 9.620 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 307 -40.781 8.192 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -39.900 10.501 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -41.218 11.072 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -42.846 10.405 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -41.533 9.822 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -40.551 12.107 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -41.852 12.694 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -42.321 13.212 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -43.512 12.085 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -42.554 11.570 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -42.502 10.296 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -41.095 11.182 2.498 1.00 0.00 H new ATOM 945 N ALA A 308 -43.024 9.299 -3.769 1.00 0.00 N ATOM 946 CA ALA A 308 -44.400 9.131 -4.216 1.00 0.00 C ATOM 947 C ALA A 308 -44.673 7.686 -4.616 1.00 0.00 C ATOM 948 O ALA A 308 -45.744 7.146 -4.338 1.00 0.00 O ATOM 949 CB ALA A 308 -44.695 10.068 -5.377 1.00 0.00 C ATOM 0 H ALA A 308 -42.469 9.933 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 308 -45.060 9.381 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -45.727 9.932 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -44.548 11.100 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -44.022 9.845 -6.205 1.00 0.00 H new ATOM 955 N ALA A 309 -43.697 7.067 -5.273 1.00 0.00 N ATOM 956 CA ALA A 309 -43.828 5.684 -5.716 1.00 0.00 C ATOM 957 C ALA A 309 -44.072 4.748 -4.538 1.00 0.00 C ATOM 958 O ALA A 309 -44.967 3.903 -4.581 1.00 0.00 O ATOM 959 CB ALA A 309 -42.584 5.258 -6.480 1.00 0.00 C ATOM 0 H ALA A 309 -42.806 7.502 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 309 -44.691 5.621 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -42.693 4.224 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -42.454 5.901 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -41.712 5.344 -5.832 1.00 0.00 H new ATOM 965 N ILE A 310 -43.274 4.904 -3.485 1.00 0.00 N ATOM 966 CA ILE A 310 -43.407 4.071 -2.295 1.00 0.00 C ATOM 967 C ILE A 310 -44.762 4.283 -1.630 1.00 0.00 C ATOM 968 O ILE A 310 -45.425 3.324 -1.235 1.00 0.00 O ATOM 969 CB ILE A 310 -42.288 4.360 -1.273 1.00 0.00 C ATOM 970 CG1 ILE A 310 -40.915 4.065 -1.884 1.00 0.00 C ATOM 971 CG2 ILE A 310 -42.498 3.543 -0.004 1.00 0.00 C ATOM 972 CD1 ILE A 310 -40.740 2.628 -2.333 1.00 0.00 C ATOM 0 H ILE A 310 -42.529 5.599 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 310 -43.323 3.034 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 310 -42.327 5.417 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -40.759 4.724 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -40.143 4.303 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -41.699 3.760 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -43.459 3.803 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -42.487 2.481 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -39.743 2.497 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -40.863 1.962 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -41.488 2.389 -3.089 1.00 0.00 H new ATOM 984 N GLN A 311 -45.170 5.544 -1.510 1.00 0.00 N ATOM 985 CA GLN A 311 -46.450 5.876 -0.893 1.00 0.00 C ATOM 986 C GLN A 311 -47.598 5.187 -1.626 1.00 0.00 C ATOM 987 O GLN A 311 -48.510 4.643 -1.001 1.00 0.00 O ATOM 988 CB GLN A 311 -46.662 7.392 -0.892 1.00 0.00 C ATOM 989 CG GLN A 311 -47.971 7.823 -0.250 1.00 0.00 C ATOM 990 CD GLN A 311 -48.150 9.328 -0.242 1.00 0.00 C ATOM 991 OE1 GLN A 311 -48.167 9.969 -1.293 1.00 0.00 O ATOM 992 NE2 GLN A 311 -48.284 9.902 0.948 1.00 0.00 N ATOM 0 H GLN A 311 -44.634 6.350 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 311 -46.435 5.520 0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -45.835 7.866 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -46.634 7.755 -1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -48.802 7.365 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -48.009 7.451 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -48.264 9.333 1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -48.407 10.912 1.016 1.00 0.00 H new ATOM 1001 N GLU A 312 -47.543 5.211 -2.954 1.00 0.00 N ATOM 1002 CA GLU A 312 -48.573 4.588 -3.778 1.00 0.00 C ATOM 1003 C GLU A 312 -48.588 3.076 -3.584 1.00 0.00 C ATOM 1004 O GLU A 312 -49.651 2.467 -3.471 1.00 0.00 O ATOM 1005 CB GLU A 312 -48.347 4.923 -5.255 1.00 0.00 C ATOM 1006 CG GLU A 312 -49.352 4.274 -6.196 1.00 0.00 C ATOM 1007 CD GLU A 312 -50.780 4.716 -5.936 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -51.301 4.434 -4.836 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -51.377 5.347 -6.833 1.00 0.00 O ATOM 0 H GLU A 312 -46.794 5.657 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 312 -49.539 4.984 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -48.391 6.005 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -47.343 4.609 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -49.085 4.514 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -49.289 3.191 -6.095 1.00 0.00 H new ATOM 1016 N SER A 313 -47.404 2.478 -3.553 1.00 0.00 N ATOM 1017 CA SER A 313 -47.278 1.035 -3.381 1.00 0.00 C ATOM 1018 C SER A 313 -47.873 0.580 -2.053 1.00 0.00 C ATOM 1019 O SER A 313 -48.577 -0.429 -1.993 1.00 0.00 O ATOM 1020 CB SER A 313 -45.808 0.619 -3.462 1.00 0.00 C ATOM 1021 OG SER A 313 -45.251 0.951 -4.722 1.00 0.00 O ATOM 0 H SER A 313 -46.515 2.970 -3.645 1.00 0.00 H new ATOM 0 HA SER A 313 -47.834 0.554 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 313 -45.244 1.112 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 313 -45.721 -0.455 -3.294 1.00 0.00 H new ATOM 0 HG SER A 313 -45.104 1.919 -4.770 1.00 0.00 H new ATOM 1027 N LEU A 314 -47.581 1.322 -0.992 1.00 0.00 N ATOM 1028 CA LEU A 314 -48.084 0.986 0.335 1.00 0.00 C ATOM 1029 C LEU A 314 -49.605 1.096 0.394 1.00 0.00 C ATOM 1030 O LEU A 314 -50.279 0.217 0.933 1.00 0.00 O ATOM 1031 CB LEU A 314 -47.452 1.898 1.389 1.00 0.00 C ATOM 1032 CG LEU A 314 -45.925 1.835 1.473 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -45.408 2.809 2.521 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -45.464 0.418 1.788 1.00 0.00 C ATOM 0 H LEU A 314 -46.999 2.159 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 314 -47.809 -0.048 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -47.746 2.927 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -47.865 1.640 2.364 1.00 0.00 H new ATOM 0 HG LEU A 314 -45.516 2.122 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -44.321 2.751 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -45.706 3.823 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -45.827 2.552 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -44.376 0.393 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -45.883 0.103 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -45.803 -0.258 1.003 1.00 0.00 H new ATOM 1046 N ARG A 315 -50.139 2.182 -0.156 1.00 0.00 N ATOM 1047 CA ARG A 315 -51.581 2.404 -0.157 1.00 0.00 C ATOM 1048 C ARG A 315 -52.306 1.308 -0.933 1.00 0.00 C ATOM 1049 O ARG A 315 -53.304 0.762 -0.464 1.00 0.00 O ATOM 1050 CB ARG A 315 -51.910 3.776 -0.751 1.00 0.00 C ATOM 1051 CG ARG A 315 -53.399 4.085 -0.779 1.00 0.00 C ATOM 1052 CD ARG A 315 -53.667 5.493 -1.284 1.00 0.00 C ATOM 1053 NE ARG A 315 -53.153 5.702 -2.635 1.00 0.00 N ATOM 1054 CZ ARG A 315 -53.280 6.846 -3.302 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -53.904 7.876 -2.746 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -52.783 6.962 -4.526 1.00 0.00 N ATOM 0 H ARG A 315 -49.597 2.920 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 315 -51.925 2.374 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -51.398 4.545 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -51.518 3.827 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -53.909 3.365 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -53.814 3.972 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -54.740 5.683 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -53.208 6.213 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 315 -52.670 4.928 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -54.288 7.792 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -54.000 8.752 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -52.302 6.173 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -52.882 7.840 -5.035 1.00 0.00 H new ATOM 1070 N GLU A 316 -51.798 0.990 -2.119 1.00 0.00 N ATOM 1071 CA GLU A 316 -52.398 -0.043 -2.959 1.00 0.00 C ATOM 1072 C GLU A 316 -52.377 -1.399 -2.261 1.00 0.00 C ATOM 1073 O GLU A 316 -53.338 -2.162 -2.343 1.00 0.00 O ATOM 1074 CB GLU A 316 -51.666 -0.136 -4.299 1.00 0.00 C ATOM 1075 CG GLU A 316 -51.772 1.124 -5.143 1.00 0.00 C ATOM 1076 CD GLU A 316 -53.205 1.468 -5.498 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -53.871 0.636 -6.150 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -53.662 2.568 -5.125 1.00 0.00 O ATOM 0 H GLU A 316 -50.972 1.432 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 316 -53.436 0.236 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -50.614 -0.351 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -52.068 -0.976 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -51.325 1.958 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -51.196 0.993 -6.059 1.00 0.00 H new ATOM 1085 N ALA A 317 -51.274 -1.695 -1.582 1.00 0.00 N ATOM 1086 CA ALA A 317 -51.127 -2.963 -0.876 1.00 0.00 C ATOM 1087 C ALA A 317 -52.163 -3.104 0.235 1.00 0.00 C ATOM 1088 O ALA A 317 -52.781 -4.157 0.389 1.00 0.00 O ATOM 1089 CB ALA A 317 -49.723 -3.090 -0.307 1.00 0.00 C ATOM 0 H ALA A 317 -50.468 -1.074 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 317 -51.294 -3.767 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -49.627 -4.041 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -48.996 -3.048 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -49.537 -2.272 0.389 1.00 0.00 H new ATOM 1095 N GLU A 318 -52.342 -2.040 1.011 1.00 0.00 N ATOM 1096 CA GLU A 318 -53.299 -2.048 2.113 1.00 0.00 C ATOM 1097 C GLU A 318 -54.733 -2.176 1.603 1.00 0.00 C ATOM 1098 O GLU A 318 -55.519 -2.964 2.129 1.00 0.00 O ATOM 1099 CB GLU A 318 -53.155 -0.772 2.946 1.00 0.00 C ATOM 1100 CG GLU A 318 -54.060 -0.728 4.168 1.00 0.00 C ATOM 1101 CD GLU A 318 -53.721 -1.796 5.192 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -53.813 -2.996 4.856 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -53.361 -1.431 6.331 1.00 0.00 O ATOM 0 H GLU A 318 -51.837 -1.161 0.898 1.00 0.00 H new ATOM 0 HA GLU A 318 -53.082 -2.914 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -52.119 -0.676 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -53.372 0.089 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -53.984 0.254 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -55.096 -0.851 3.852 1.00 0.00 H new ATOM 1110 N GLU A 319 -55.067 -1.391 0.583 1.00 0.00 N ATOM 1111 CA GLU A 319 -56.410 -1.409 0.005 1.00 0.00 C ATOM 1112 C GLU A 319 -56.726 -2.760 -0.632 1.00 0.00 C ATOM 1113 O GLU A 319 -57.817 -3.299 -0.452 1.00 0.00 O ATOM 1114 CB GLU A 319 -56.553 -0.298 -1.039 1.00 0.00 C ATOM 1115 CG GLU A 319 -56.357 1.102 -0.476 1.00 0.00 C ATOM 1116 CD GLU A 319 -57.422 1.491 0.534 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -58.350 0.687 0.764 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -57.330 2.605 1.091 1.00 0.00 O ATOM 0 H GLU A 319 -54.427 -0.733 0.138 1.00 0.00 H new ATOM 0 HA GLU A 319 -57.121 -1.240 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -55.827 -0.464 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -57.543 -0.362 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -55.377 1.163 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -56.362 1.821 -1.295 1.00 0.00 H new ATOM 1125 N ALA A 320 -55.770 -3.295 -1.384 1.00 0.00 N ATOM 1126 CA ALA A 320 -55.949 -4.578 -2.057 1.00 0.00 C ATOM 1127 C ALA A 320 -56.159 -5.710 -1.056 1.00 0.00 C ATOM 1128 O ALA A 320 -57.050 -6.542 -1.226 1.00 0.00 O ATOM 1129 CB ALA A 320 -54.751 -4.877 -2.945 1.00 0.00 C ATOM 0 H ALA A 320 -54.861 -2.860 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 320 -56.844 -4.509 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -54.896 -5.836 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -54.649 -4.092 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -53.848 -4.917 -2.336 1.00 0.00 H new ATOM 1135 N LYS A 321 -55.328 -5.740 -0.020 1.00 0.00 N ATOM 1136 CA LYS A 321 -55.415 -6.775 1.005 1.00 0.00 C ATOM 1137 C LYS A 321 -56.754 -6.715 1.736 1.00 0.00 C ATOM 1138 O LYS A 321 -57.387 -7.744 1.975 1.00 0.00 O ATOM 1139 CB LYS A 321 -54.265 -6.624 2.004 1.00 0.00 C ATOM 1140 CG LYS A 321 -54.231 -7.709 3.069 1.00 0.00 C ATOM 1141 CD LYS A 321 -53.048 -7.528 4.007 1.00 0.00 C ATOM 1142 CE LYS A 321 -52.990 -8.631 5.052 1.00 0.00 C ATOM 1143 NZ LYS A 321 -52.856 -9.978 4.432 1.00 0.00 N ATOM 0 H LYS A 321 -54.585 -5.058 0.133 1.00 0.00 H new ATOM 0 HA LYS A 321 -55.339 -7.745 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -53.320 -6.632 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -54.344 -5.652 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -55.158 -7.688 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -54.173 -8.687 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -52.123 -7.523 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -53.120 -6.560 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -52.147 -8.454 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -53.893 -8.601 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -52.567 -10.666 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -53.769 -10.265 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -52.138 -9.944 3.681 1.00 0.00 H new ATOM 1157 N LEU A 322 -57.176 -5.506 2.092 1.00 0.00 N ATOM 1158 CA LEU A 322 -58.437 -5.310 2.802 1.00 0.00 C ATOM 1159 C LEU A 322 -59.620 -5.724 1.928 1.00 0.00 C ATOM 1160 O LEU A 322 -60.510 -6.449 2.373 1.00 0.00 O ATOM 1161 CB LEU A 322 -58.571 -3.841 3.228 1.00 0.00 C ATOM 1162 CG LEU A 322 -59.697 -3.528 4.224 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -59.521 -2.128 4.791 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -61.064 -3.655 3.567 1.00 0.00 C ATOM 0 H LEU A 322 -56.663 -4.645 1.901 1.00 0.00 H new ATOM 0 HA LEU A 322 -58.439 -5.939 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -57.626 -3.523 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -58.726 -3.237 2.334 1.00 0.00 H new ATOM 0 HG LEU A 322 -59.641 -4.254 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -60.325 -1.917 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -58.562 -2.061 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -59.550 -1.401 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -61.841 -3.427 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -61.133 -2.956 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -61.198 -4.672 3.200 1.00 0.00 H new