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+ 170:sc= -0.0223 (180deg=-0.138) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ 167:sc= -0.0361 (180deg=-0.194) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 311 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -167:sc= -0.0265 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -62.776 3.809 6.755 1.00 0.00 N ATOM 156 CA GLU A 259 -62.152 2.489 6.749 1.00 0.00 C ATOM 157 C GLU A 259 -61.403 2.248 5.441 1.00 0.00 C ATOM 158 O GLU A 259 -60.339 1.627 5.428 1.00 0.00 O ATOM 159 CB GLU A 259 -63.210 1.402 6.956 1.00 0.00 C ATOM 160 CG GLU A 259 -62.639 -0.007 6.981 1.00 0.00 C ATOM 161 CD GLU A 259 -63.704 -1.066 7.195 1.00 0.00 C ATOM 162 OE1 GLU A 259 -64.380 -1.025 8.244 1.00 0.00 O ATOM 163 OE2 GLU A 259 -63.861 -1.935 6.312 1.00 0.00 O ATOM 0 HA GLU A 259 -61.435 2.448 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -63.733 1.590 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -63.950 1.471 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -62.122 -0.202 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -61.896 -0.079 7.775 1.00 0.00 H new ATOM 170 N GLU A 260 -61.973 2.740 4.345 1.00 0.00 N ATOM 171 CA GLU A 260 -61.372 2.582 3.024 1.00 0.00 C ATOM 172 C GLU A 260 -59.919 3.050 3.015 1.00 0.00 C ATOM 173 O GLU A 260 -59.066 2.438 2.373 1.00 0.00 O ATOM 174 CB GLU A 260 -62.177 3.363 1.981 1.00 0.00 C ATOM 175 CG GLU A 260 -61.603 3.280 0.574 1.00 0.00 C ATOM 176 CD GLU A 260 -61.636 1.875 0.002 1.00 0.00 C ATOM 177 OE1 GLU A 260 -62.159 0.965 0.680 1.00 0.00 O ATOM 178 OE2 GLU A 260 -61.143 1.686 -1.130 1.00 0.00 O ATOM 0 H GLU A 260 -62.854 3.254 4.346 1.00 0.00 H new ATOM 0 HA GLU A 260 -61.389 1.521 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -63.200 2.987 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -62.226 4.409 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -62.164 3.946 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -60.573 3.637 0.586 1.00 0.00 H new ATOM 185 N GLU A 261 -59.646 4.140 3.724 1.00 0.00 N ATOM 186 CA GLU A 261 -58.297 4.693 3.791 1.00 0.00 C ATOM 187 C GLU A 261 -57.319 3.684 4.390 1.00 0.00 C ATOM 188 O GLU A 261 -56.222 3.484 3.866 1.00 0.00 O ATOM 189 CB GLU A 261 -58.295 5.978 4.622 1.00 0.00 C ATOM 190 CG GLU A 261 -56.945 6.678 4.661 1.00 0.00 C ATOM 191 CD GLU A 261 -56.515 7.205 3.304 1.00 0.00 C ATOM 192 OE1 GLU A 261 -57.289 7.062 2.334 1.00 0.00 O ATOM 193 OE2 GLU A 261 -55.403 7.767 3.212 1.00 0.00 O ATOM 0 H GLU A 261 -60.341 4.659 4.261 1.00 0.00 H new ATOM 0 HA GLU A 261 -57.974 4.921 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -59.039 6.664 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -58.602 5.742 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -56.991 7.505 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -56.191 5.983 5.031 1.00 0.00 H new ATOM 200 N LEU A 262 -57.721 3.056 5.491 1.00 0.00 N ATOM 201 CA LEU A 262 -56.878 2.071 6.164 1.00 0.00 C ATOM 202 C LEU A 262 -56.599 0.871 5.263 1.00 0.00 C ATOM 203 O LEU A 262 -55.455 0.431 5.139 1.00 0.00 O ATOM 204 CB LEU A 262 -57.545 1.601 7.461 1.00 0.00 C ATOM 205 CG LEU A 262 -57.791 2.695 8.503 1.00 0.00 C ATOM 206 CD1 LEU A 262 -58.521 2.127 9.710 1.00 0.00 C ATOM 207 CD2 LEU A 262 -56.477 3.333 8.929 1.00 0.00 C ATOM 0 H LEU A 262 -58.625 3.211 5.937 1.00 0.00 H new ATOM 0 HA LEU A 262 -55.928 2.551 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -58.500 1.138 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -56.923 0.827 7.911 1.00 0.00 H new ATOM 0 HG LEU A 262 -58.417 3.464 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -58.687 2.919 10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -59.480 1.716 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -57.919 1.338 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -56.672 4.108 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -55.827 2.573 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -55.989 3.776 8.061 1.00 0.00 H new ATOM 219 N ILE A 263 -57.649 0.343 4.642 1.00 0.00 N ATOM 220 CA ILE A 263 -57.518 -0.811 3.758 1.00 0.00 C ATOM 221 C ILE A 263 -56.610 -0.502 2.570 1.00 0.00 C ATOM 222 O ILE A 263 -55.745 -1.302 2.213 1.00 0.00 O ATOM 223 CB ILE A 263 -58.892 -1.275 3.234 1.00 0.00 C ATOM 224 CG1 ILE A 263 -59.825 -1.605 4.403 1.00 0.00 C ATOM 225 CG2 ILE A 263 -58.730 -2.482 2.320 1.00 0.00 C ATOM 226 CD1 ILE A 263 -61.222 -2.001 3.975 1.00 0.00 C ATOM 0 H ILE A 263 -58.601 0.696 4.735 1.00 0.00 H new ATOM 0 HA ILE A 263 -57.072 -1.610 4.350 1.00 0.00 H new ATOM 0 HB ILE A 263 -59.337 -0.464 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -59.389 -2.417 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -59.888 -0.739 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -59.708 -2.798 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -58.099 -2.215 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -58.267 -3.298 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -61.824 -2.220 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -61.678 -1.182 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -61.171 -2.887 3.341 1.00 0.00 H new ATOM 238 N ARG A 264 -56.818 0.660 1.961 1.00 0.00 N ATOM 239 CA ARG A 264 -56.028 1.082 0.808 1.00 0.00 C ATOM 240 C ARG A 264 -54.540 1.155 1.147 1.00 0.00 C ATOM 241 O ARG A 264 -53.703 0.624 0.415 1.00 0.00 O ATOM 242 CB ARG A 264 -56.528 2.439 0.304 1.00 0.00 C ATOM 243 CG ARG A 264 -55.659 3.059 -0.777 1.00 0.00 C ATOM 244 CD ARG A 264 -56.307 4.306 -1.359 1.00 0.00 C ATOM 245 NE ARG A 264 -55.403 5.035 -2.245 1.00 0.00 N ATOM 246 CZ ARG A 264 -54.323 5.686 -1.822 1.00 0.00 C ATOM 247 NH1 ARG A 264 -54.029 5.722 -0.529 1.00 0.00 N ATOM 248 NH2 ARG A 264 -53.540 6.310 -2.692 1.00 0.00 N ATOM 0 H ARG A 264 -57.531 1.331 2.248 1.00 0.00 H new ATOM 0 HA ARG A 264 -56.151 0.338 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -57.540 2.320 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -56.587 3.128 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -54.684 3.313 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -55.487 2.332 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -57.204 4.024 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -56.624 4.961 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 264 -55.612 5.045 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -54.632 5.249 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -53.200 6.222 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -53.766 6.291 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -52.712 6.809 -2.367 1.00 0.00 H new ATOM 262 N LYS A 265 -54.215 1.812 2.255 1.00 0.00 N ATOM 263 CA LYS A 265 -52.826 1.949 2.679 1.00 0.00 C ATOM 264 C LYS A 265 -52.195 0.585 2.943 1.00 0.00 C ATOM 265 O LYS A 265 -51.048 0.340 2.568 1.00 0.00 O ATOM 266 CB LYS A 265 -52.734 2.825 3.931 1.00 0.00 C ATOM 267 CG LYS A 265 -51.311 3.017 4.442 1.00 0.00 C ATOM 268 CD LYS A 265 -50.401 3.614 3.376 1.00 0.00 C ATOM 269 CE LYS A 265 -50.883 4.984 2.922 1.00 0.00 C ATOM 270 NZ LYS A 265 -50.895 5.969 4.037 1.00 0.00 N ATOM 0 H LYS A 265 -54.892 2.257 2.874 1.00 0.00 H new ATOM 0 HA LYS A 265 -52.274 2.429 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -53.167 3.801 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -53.337 2.378 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -51.324 3.669 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -50.909 2.057 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -49.388 3.697 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -50.356 2.942 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -50.238 5.349 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -51.886 4.896 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -51.064 6.922 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -51.651 5.725 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -49.978 5.950 4.527 1.00 0.00 H new ATOM 284 N ALA A 266 -52.949 -0.300 3.588 1.00 0.00 N ATOM 285 CA ALA A 266 -52.459 -1.638 3.899 1.00 0.00 C ATOM 286 C ALA A 266 -52.101 -2.403 2.628 1.00 0.00 C ATOM 287 O ALA A 266 -51.042 -3.026 2.544 1.00 0.00 O ATOM 288 CB ALA A 266 -53.498 -2.405 4.703 1.00 0.00 C ATOM 0 H ALA A 266 -53.901 -0.115 3.905 1.00 0.00 H new ATOM 0 HA ALA A 266 -51.553 -1.536 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -53.120 -3.402 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -53.702 -1.875 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -54.418 -2.488 4.124 1.00 0.00 H new ATOM 294 N ILE A 267 -52.990 -2.349 1.641 1.00 0.00 N ATOM 295 CA ILE A 267 -52.769 -3.035 0.373 1.00 0.00 C ATOM 296 C ILE A 267 -51.509 -2.520 -0.314 1.00 0.00 C ATOM 297 O ILE A 267 -50.705 -3.302 -0.821 1.00 0.00 O ATOM 298 CB ILE A 267 -53.970 -2.862 -0.578 1.00 0.00 C ATOM 299 CG1 ILE A 267 -55.236 -3.441 0.059 1.00 0.00 C ATOM 300 CG2 ILE A 267 -53.689 -3.529 -1.918 1.00 0.00 C ATOM 301 CD1 ILE A 267 -56.488 -3.221 -0.764 1.00 0.00 C ATOM 0 H ILE A 267 -53.871 -1.837 1.695 1.00 0.00 H new ATOM 0 HA ILE A 267 -52.649 -4.094 0.601 1.00 0.00 H new ATOM 0 HB ILE A 267 -54.127 -1.798 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -55.097 -4.511 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -55.375 -2.992 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -54.547 -3.397 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -52.809 -3.075 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -53.510 -4.593 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -57.343 -3.658 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -56.653 -2.152 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -56.370 -3.694 -1.739 1.00 0.00 H new ATOM 313 N GLU A 268 -51.343 -1.201 -0.327 1.00 0.00 N ATOM 314 CA GLU A 268 -50.178 -0.588 -0.954 1.00 0.00 C ATOM 315 C GLU A 268 -48.888 -1.101 -0.323 1.00 0.00 C ATOM 316 O GLU A 268 -47.984 -1.553 -1.023 1.00 0.00 O ATOM 317 CB GLU A 268 -50.247 0.935 -0.836 1.00 0.00 C ATOM 318 CG GLU A 268 -51.447 1.544 -1.542 1.00 0.00 C ATOM 319 CD GLU A 268 -51.489 3.054 -1.416 1.00 0.00 C ATOM 320 OE1 GLU A 268 -50.545 3.716 -1.896 1.00 0.00 O ATOM 321 OE2 GLU A 268 -52.464 3.573 -0.835 1.00 0.00 O ATOM 0 H GLU A 268 -51.998 -0.538 0.088 1.00 0.00 H new ATOM 0 HA GLU A 268 -50.180 -0.862 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -50.278 1.209 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -49.335 1.365 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -51.421 1.271 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -52.362 1.122 -1.126 1.00 0.00 H new ATOM 328 N LEU A 269 -48.812 -1.038 1.003 1.00 0.00 N ATOM 329 CA LEU A 269 -47.631 -1.505 1.724 1.00 0.00 C ATOM 330 C LEU A 269 -47.331 -2.958 1.381 1.00 0.00 C ATOM 331 O LEU A 269 -46.173 -3.344 1.220 1.00 0.00 O ATOM 332 CB LEU A 269 -47.835 -1.357 3.234 1.00 0.00 C ATOM 333 CG LEU A 269 -48.000 0.081 3.731 1.00 0.00 C ATOM 334 CD1 LEU A 269 -48.278 0.099 5.226 1.00 0.00 C ATOM 335 CD2 LEU A 269 -46.759 0.902 3.410 1.00 0.00 C ATOM 0 H LEU A 269 -49.552 -0.669 1.600 1.00 0.00 H new ATOM 0 HA LEU A 269 -46.782 -0.892 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -48.717 -1.928 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -46.983 -1.806 3.745 1.00 0.00 H new ATOM 0 HG LEU A 269 -48.851 0.528 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -48.393 1.129 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -49.194 -0.454 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -47.447 -0.365 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -46.894 1.922 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -45.892 0.457 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -46.601 0.916 2.332 1.00 0.00 H new ATOM 347 N SER A 270 -48.385 -3.757 1.273 1.00 0.00 N ATOM 348 CA SER A 270 -48.245 -5.172 0.949 1.00 0.00 C ATOM 349 C SER A 270 -47.625 -5.365 -0.433 1.00 0.00 C ATOM 350 O SER A 270 -46.799 -6.255 -0.632 1.00 0.00 O ATOM 351 CB SER A 270 -49.608 -5.864 1.009 1.00 0.00 C ATOM 352 OG SER A 270 -49.499 -7.236 0.675 1.00 0.00 O ATOM 0 H SER A 270 -49.348 -3.449 1.405 1.00 0.00 H new ATOM 0 HA SER A 270 -47.579 -5.621 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 270 -50.027 -5.763 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 270 -50.299 -5.373 0.323 1.00 0.00 H new ATOM 0 HG SER A 270 -50.383 -7.655 0.722 1.00 0.00 H new ATOM 358 N LEU A 271 -48.038 -4.536 -1.387 1.00 0.00 N ATOM 359 CA LEU A 271 -47.529 -4.626 -2.754 1.00 0.00 C ATOM 360 C LEU A 271 -46.054 -4.234 -2.833 1.00 0.00 C ATOM 361 O LEU A 271 -45.241 -4.962 -3.402 1.00 0.00 O ATOM 362 CB LEU A 271 -48.353 -3.735 -3.686 1.00 0.00 C ATOM 363 CG LEU A 271 -49.848 -4.060 -3.747 1.00 0.00 C ATOM 364 CD1 LEU A 271 -50.563 -3.098 -4.683 1.00 0.00 C ATOM 365 CD2 LEU A 271 -50.068 -5.499 -4.191 1.00 0.00 C ATOM 0 H LEU A 271 -48.723 -3.795 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 271 -47.619 -5.665 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -48.236 -2.699 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -47.940 -3.809 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 271 -50.265 -3.944 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -51.625 -3.343 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -50.437 -2.077 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -50.141 -3.183 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -51.137 -5.709 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -49.635 -5.645 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -49.589 -6.175 -3.483 1.00 0.00 H new ATOM 377 N LYS A 272 -45.717 -3.077 -2.267 1.00 0.00 N ATOM 378 CA LYS A 272 -44.340 -2.588 -2.283 1.00 0.00 C ATOM 379 C LYS A 272 -43.385 -3.581 -1.624 1.00 0.00 C ATOM 380 O LYS A 272 -42.270 -3.789 -2.104 1.00 0.00 O ATOM 381 CB LYS A 272 -44.240 -1.225 -1.586 1.00 0.00 C ATOM 382 CG LYS A 272 -44.701 -0.050 -2.441 1.00 0.00 C ATOM 383 CD LYS A 272 -46.169 -0.159 -2.821 1.00 0.00 C ATOM 384 CE LYS A 272 -46.624 1.036 -3.645 1.00 0.00 C ATOM 385 NZ LYS A 272 -45.862 1.157 -4.918 1.00 0.00 N ATOM 0 H LYS A 272 -46.377 -2.461 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 272 -44.047 -2.476 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -44.836 -1.252 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -43.205 -1.058 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -44.536 0.880 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -44.096 -0.002 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -46.332 -1.076 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -46.775 -0.231 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -47.687 0.940 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -46.501 1.948 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -46.339 1.836 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -44.898 1.491 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -45.816 0.229 -5.385 1.00 0.00 H new ATOM 892 N ASP A 305 38.765 -2.383 -0.413 1.00 0.00 N ATOM 893 CA ASP A 305 39.221 -1.225 -1.176 1.00 0.00 C ATOM 894 C ASP A 305 39.998 -0.245 -0.299 1.00 0.00 C ATOM 895 O ASP A 305 41.019 0.298 -0.718 1.00 0.00 O ATOM 896 CB ASP A 305 38.030 -0.513 -1.820 1.00 0.00 C ATOM 897 CG ASP A 305 37.270 -1.408 -2.779 1.00 0.00 C ATOM 898 OD1 ASP A 305 36.762 -2.459 -2.335 1.00 0.00 O ATOM 899 OD2 ASP A 305 37.182 -1.058 -3.975 1.00 0.00 O ATOM 0 HA ASP A 305 39.892 -1.587 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 305 37.354 -0.164 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 305 38.383 0.369 -2.354 1.00 0.00 H new ATOM 904 N LEU A 306 39.504 -0.016 0.914 1.00 0.00 N ATOM 905 CA LEU A 306 40.149 0.908 1.842 1.00 0.00 C ATOM 906 C LEU A 306 41.554 0.437 2.217 1.00 0.00 C ATOM 907 O LEU A 306 42.516 1.202 2.137 1.00 0.00 O ATOM 908 CB LEU A 306 39.299 1.067 3.105 1.00 0.00 C ATOM 909 CG LEU A 306 39.882 2.003 4.168 1.00 0.00 C ATOM 910 CD1 LEU A 306 40.024 3.415 3.620 1.00 0.00 C ATOM 911 CD2 LEU A 306 39.010 1.998 5.415 1.00 0.00 C ATOM 0 H LEU A 306 38.659 -0.457 1.278 1.00 0.00 H new ATOM 0 HA LEU A 306 40.239 1.872 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 306 38.315 1.437 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 306 39.152 0.083 3.551 1.00 0.00 H new ATOM 0 HG LEU A 306 40.874 1.641 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 306 40.440 4.064 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 306 40.689 3.405 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 306 39.045 3.789 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 306 39.438 2.668 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 306 38.006 2.335 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 306 38.961 0.987 5.821 1.00 0.00 H new ATOM 923 N LYS A 307 41.663 -0.822 2.632 1.00 0.00 N ATOM 924 CA LYS A 307 42.948 -1.390 3.028 1.00 0.00 C ATOM 925 C LYS A 307 43.941 -1.373 1.869 1.00 0.00 C ATOM 926 O LYS A 307 45.102 -1.003 2.041 1.00 0.00 O ATOM 927 CB LYS A 307 42.762 -2.821 3.536 1.00 0.00 C ATOM 928 CG LYS A 307 41.866 -2.917 4.761 1.00 0.00 C ATOM 929 CD LYS A 307 41.754 -4.348 5.261 1.00 0.00 C ATOM 930 CE LYS A 307 40.875 -4.435 6.499 1.00 0.00 C ATOM 931 NZ LYS A 307 40.766 -5.831 7.007 1.00 0.00 N ATOM 0 H LYS A 307 40.877 -1.468 2.703 1.00 0.00 H new ATOM 0 HA LYS A 307 43.352 -0.774 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 307 42.339 -3.430 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 307 43.738 -3.243 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 307 42.264 -2.284 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 307 40.874 -2.537 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 307 41.341 -4.979 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 307 42.747 -4.734 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 307 41.285 -3.795 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 307 39.880 -4.055 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 40.159 -5.847 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 40.351 -6.437 6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 41.712 -6.185 7.255 1.00 0.00 H new ATOM 945 N ALA A 308 43.477 -1.778 0.692 1.00 0.00 N ATOM 946 CA ALA A 308 44.323 -1.813 -0.496 1.00 0.00 C ATOM 947 C ALA A 308 44.802 -0.416 -0.879 1.00 0.00 C ATOM 948 O ALA A 308 45.947 -0.237 -1.292 1.00 0.00 O ATOM 949 CB ALA A 308 43.576 -2.451 -1.657 1.00 0.00 C ATOM 0 H ALA A 308 42.518 -2.087 0.535 1.00 0.00 H new ATOM 0 HA ALA A 308 45.201 -2.416 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 308 44.219 -2.470 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 308 43.293 -3.470 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 308 42.680 -1.871 -1.876 1.00 0.00 H new ATOM 955 N ALA A 309 43.917 0.567 -0.749 1.00 0.00 N ATOM 956 CA ALA A 309 44.248 1.947 -1.092 1.00 0.00 C ATOM 957 C ALA A 309 45.368 2.491 -0.209 1.00 0.00 C ATOM 958 O ALA A 309 46.364 3.019 -0.708 1.00 0.00 O ATOM 959 CB ALA A 309 43.013 2.828 -0.979 1.00 0.00 C ATOM 0 H ALA A 309 42.965 0.434 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 309 44.602 1.958 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 309 43.273 3.854 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 309 42.244 2.466 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 309 42.635 2.796 0.043 1.00 0.00 H new ATOM 965 N ILE A 310 45.201 2.364 1.105 1.00 0.00 N ATOM 966 CA ILE A 310 46.201 2.851 2.050 1.00 0.00 C ATOM 967 C ILE A 310 47.532 2.127 1.866 1.00 0.00 C ATOM 968 O ILE A 310 48.590 2.756 1.810 1.00 0.00 O ATOM 969 CB ILE A 310 45.729 2.685 3.508 1.00 0.00 C ATOM 970 CG1 ILE A 310 44.410 3.431 3.726 1.00 0.00 C ATOM 971 CG2 ILE A 310 46.798 3.189 4.470 1.00 0.00 C ATOM 972 CD1 ILE A 310 43.845 3.275 5.122 1.00 0.00 C ATOM 0 H ILE A 310 44.386 1.930 1.538 1.00 0.00 H new ATOM 0 HA ILE A 310 46.339 3.912 1.844 1.00 0.00 H new ATOM 0 HB ILE A 310 45.562 1.626 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 310 44.564 4.491 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 310 43.676 3.072 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 310 46.451 3.066 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 310 47.715 2.618 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 310 46.993 4.244 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 310 42.911 3.831 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 310 43.657 2.220 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 310 44.559 3.661 5.849 1.00 0.00 H new ATOM 984 N GLN A 311 47.470 0.802 1.770 1.00 0.00 N ATOM 985 CA GLN A 311 48.669 -0.009 1.589 1.00 0.00 C ATOM 986 C GLN A 311 49.391 0.382 0.306 1.00 0.00 C ATOM 987 O GLN A 311 50.619 0.474 0.274 1.00 0.00 O ATOM 988 CB GLN A 311 48.308 -1.495 1.555 1.00 0.00 C ATOM 989 CG GLN A 311 49.515 -2.412 1.423 1.00 0.00 C ATOM 990 CD GLN A 311 49.145 -3.885 1.373 1.00 0.00 C ATOM 991 OE1 GLN A 311 47.849 -4.182 1.420 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 50.017 -4.749 1.292 1.00 0.00 N flip ATOM 0 H GLN A 311 46.602 0.268 1.815 1.00 0.00 H new ATOM 0 HA GLN A 311 49.335 0.172 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 311 47.767 -1.750 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 311 47.631 -1.677 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 311 50.064 -2.151 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 311 50.187 -2.241 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 311 51.000 -4.480 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 311 49.757 -5.735 1.258 1.00 0.00 H new ATOM 1001 N GLU A 312 48.619 0.614 -0.751 1.00 0.00 N ATOM 1002 CA GLU A 312 49.180 1.000 -2.039 1.00 0.00 C ATOM 1003 C GLU A 312 49.947 2.311 -1.916 1.00 0.00 C ATOM 1004 O GLU A 312 51.044 2.454 -2.456 1.00 0.00 O ATOM 1005 CB GLU A 312 48.074 1.135 -3.086 1.00 0.00 C ATOM 1006 CG GLU A 312 48.589 1.481 -4.473 1.00 0.00 C ATOM 1007 CD GLU A 312 47.476 1.593 -5.496 1.00 0.00 C ATOM 1008 OE1 GLU A 312 46.576 2.438 -5.304 1.00 0.00 O ATOM 1009 OE2 GLU A 312 47.506 0.838 -6.490 1.00 0.00 O ATOM 0 H GLU A 312 47.602 0.541 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 312 49.871 0.220 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 312 47.517 0.199 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 312 47.373 1.906 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 312 49.134 2.424 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 312 49.298 0.718 -4.794 1.00 0.00 H new ATOM 1016 N SER A 313 49.362 3.264 -1.197 1.00 0.00 N ATOM 1017 CA SER A 313 49.994 4.563 -0.995 1.00 0.00 C ATOM 1018 C SER A 313 51.342 4.397 -0.303 1.00 0.00 C ATOM 1019 O SER A 313 52.345 4.976 -0.725 1.00 0.00 O ATOM 1020 CB SER A 313 49.086 5.474 -0.165 1.00 0.00 C ATOM 1021 OG SER A 313 49.676 6.749 0.019 1.00 0.00 O ATOM 0 H SER A 313 48.453 3.161 -0.745 1.00 0.00 H new ATOM 0 HA SER A 313 50.156 5.023 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 313 48.122 5.584 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 313 48.893 5.015 0.805 1.00 0.00 H new ATOM 0 HG SER A 313 49.077 7.313 0.551 1.00 0.00 H new ATOM 1027 N LEU A 314 51.361 3.591 0.757 1.00 0.00 N ATOM 1028 CA LEU A 314 52.589 3.338 1.501 1.00 0.00 C ATOM 1029 C LEU A 314 53.649 2.735 0.587 1.00 0.00 C ATOM 1030 O LEU A 314 54.827 3.083 0.673 1.00 0.00 O ATOM 1031 CB LEU A 314 52.319 2.401 2.682 1.00 0.00 C ATOM 1032 CG LEU A 314 51.332 2.933 3.725 1.00 0.00 C ATOM 1033 CD1 LEU A 314 51.123 1.911 4.831 1.00 0.00 C ATOM 1034 CD2 LEU A 314 51.825 4.252 4.307 1.00 0.00 C ATOM 0 H LEU A 314 50.541 3.104 1.118 1.00 0.00 H new ATOM 0 HA LEU A 314 52.957 4.288 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 314 51.939 1.455 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 314 53.266 2.186 3.178 1.00 0.00 H new ATOM 0 HG LEU A 314 50.376 3.110 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 314 50.419 2.306 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 314 50.725 0.990 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 314 52.075 1.703 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 314 51.110 4.614 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 314 52.794 4.100 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 314 51.925 4.987 3.509 1.00 0.00 H new ATOM 1046 N ARG A 315 53.219 1.836 -0.295 1.00 0.00 N ATOM 1047 CA ARG A 315 54.129 1.191 -1.234 1.00 0.00 C ATOM 1048 C ARG A 315 54.789 2.230 -2.132 1.00 0.00 C ATOM 1049 O ARG A 315 55.998 2.189 -2.362 1.00 0.00 O ATOM 1050 CB ARG A 315 53.378 0.166 -2.087 1.00 0.00 C ATOM 1051 CG ARG A 315 54.257 -0.532 -3.112 1.00 0.00 C ATOM 1052 CD ARG A 315 53.451 -1.476 -3.990 1.00 0.00 C ATOM 1053 NE ARG A 315 54.279 -2.130 -5.000 1.00 0.00 N ATOM 1054 CZ ARG A 315 54.920 -1.478 -5.968 1.00 0.00 C ATOM 1055 NH1 ARG A 315 54.818 -0.159 -6.068 1.00 0.00 N ATOM 1056 NH2 ARG A 315 55.664 -2.147 -6.838 1.00 0.00 N ATOM 0 H ARG A 315 52.247 1.539 -0.378 1.00 0.00 H new ATOM 0 HA ARG A 315 54.902 0.676 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 315 52.933 -0.583 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 315 52.558 0.666 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 315 54.751 0.213 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 315 55.041 -1.090 -2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 315 52.976 -2.233 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 315 52.652 -0.920 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 315 54.372 -3.145 -4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 315 54.247 0.360 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 315 55.311 0.336 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 315 55.745 -3.161 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 315 56.155 -1.647 -7.579 1.00 0.00 H new ATOM 1070 N GLU A 316 53.985 3.165 -2.632 1.00 0.00 N ATOM 1071 CA GLU A 316 54.489 4.223 -3.499 1.00 0.00 C ATOM 1072 C GLU A 316 55.560 5.035 -2.781 1.00 0.00 C ATOM 1073 O GLU A 316 56.604 5.347 -3.354 1.00 0.00 O ATOM 1074 CB GLU A 316 53.346 5.139 -3.942 1.00 0.00 C ATOM 1075 CG GLU A 316 52.260 4.421 -4.727 1.00 0.00 C ATOM 1076 CD GLU A 316 51.136 5.346 -5.152 1.00 0.00 C ATOM 1077 OE1 GLU A 316 51.203 6.552 -4.831 1.00 0.00 O ATOM 1078 OE2 GLU A 316 50.186 4.865 -5.805 1.00 0.00 O ATOM 0 H GLU A 316 52.982 3.210 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 316 54.932 3.762 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 316 52.900 5.602 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 316 53.753 5.944 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 316 52.701 3.961 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 316 51.851 3.614 -4.119 1.00 0.00 H new ATOM 1085 N ALA A 317 55.297 5.368 -1.520 1.00 0.00 N ATOM 1086 CA ALA A 317 56.243 6.139 -0.722 1.00 0.00 C ATOM 1087 C ALA A 317 57.565 5.392 -0.575 1.00 0.00 C ATOM 1088 O ALA A 317 58.637 5.963 -0.776 1.00 0.00 O ATOM 1089 CB ALA A 317 55.653 6.448 0.645 1.00 0.00 C ATOM 0 H ALA A 317 54.438 5.116 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 317 56.439 7.079 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 317 56.371 7.024 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 317 54.737 7.026 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 317 55.428 5.516 1.163 1.00 0.00 H new ATOM 1095 N GLU A 318 57.478 4.110 -0.229 1.00 0.00 N ATOM 1096 CA GLU A 318 58.665 3.279 -0.059 1.00 0.00 C ATOM 1097 C GLU A 318 59.523 3.302 -1.320 1.00 0.00 C ATOM 1098 O GLU A 318 60.746 3.429 -1.249 1.00 0.00 O ATOM 1099 CB GLU A 318 58.261 1.840 0.275 1.00 0.00 C ATOM 1100 CG GLU A 318 59.440 0.899 0.475 1.00 0.00 C ATOM 1101 CD GLU A 318 60.281 1.253 1.688 1.00 0.00 C ATOM 1102 OE1 GLU A 318 59.915 2.204 2.412 1.00 0.00 O ATOM 1103 OE2 GLU A 318 61.303 0.574 1.918 1.00 0.00 O ATOM 0 H GLU A 318 56.597 3.625 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 318 59.251 3.683 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 318 57.654 1.844 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 318 57.633 1.454 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 318 59.070 -0.121 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 318 60.069 0.919 -0.415 1.00 0.00 H new ATOM 1110 N GLU A 319 58.871 3.183 -2.472 1.00 0.00 N ATOM 1111 CA GLU A 319 59.569 3.194 -3.752 1.00 0.00 C ATOM 1112 C GLU A 319 60.281 4.526 -3.968 1.00 0.00 C ATOM 1113 O GLU A 319 61.430 4.562 -4.411 1.00 0.00 O ATOM 1114 CB GLU A 319 58.584 2.933 -4.894 1.00 0.00 C ATOM 1115 CG GLU A 319 59.236 2.889 -6.267 1.00 0.00 C ATOM 1116 CD GLU A 319 58.239 2.629 -7.381 1.00 0.00 C ATOM 1117 OE1 GLU A 319 57.036 2.475 -7.079 1.00 0.00 O ATOM 1118 OE2 GLU A 319 58.661 2.579 -8.555 1.00 0.00 O ATOM 0 H GLU A 319 57.859 3.078 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 319 60.317 2.401 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 319 58.075 1.986 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 319 57.821 3.712 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 319 59.745 3.835 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 319 59.998 2.110 -6.278 1.00 0.00 H new ATOM 1125 N ALA A 320 59.593 5.620 -3.649 1.00 0.00 N ATOM 1126 CA ALA A 320 60.162 6.954 -3.807 1.00 0.00 C ATOM 1127 C ALA A 320 61.483 7.075 -3.055 1.00 0.00 C ATOM 1128 O ALA A 320 62.485 7.523 -3.613 1.00 0.00 O ATOM 1129 CB ALA A 320 59.177 8.009 -3.325 1.00 0.00 C ATOM 0 H ALA A 320 58.642 5.608 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 320 60.359 7.118 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 320 59.615 8.999 -3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 320 58.259 7.943 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 320 58.951 7.841 -2.272 1.00 0.00 H new ATOM 1135 N LYS A 321 61.481 6.664 -1.791 1.00 0.00 N ATOM 1136 CA LYS A 321 62.686 6.717 -0.970 1.00 0.00 C ATOM 1137 C LYS A 321 63.758 5.778 -1.513 1.00 0.00 C ATOM 1138 O LYS A 321 64.951 6.068 -1.432 1.00 0.00 O ATOM 1139 CB LYS A 321 62.368 6.364 0.487 1.00 0.00 C ATOM 1140 CG LYS A 321 61.710 7.492 1.271 1.00 0.00 C ATOM 1141 CD LYS A 321 60.355 7.873 0.695 1.00 0.00 C ATOM 1142 CE LYS A 321 59.727 9.026 1.462 1.00 0.00 C ATOM 1143 NZ LYS A 321 59.494 8.682 2.892 1.00 0.00 N ATOM 0 H LYS A 321 60.660 6.291 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 321 63.068 7.737 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 321 61.712 5.494 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 321 63.291 6.077 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 321 61.589 7.188 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 321 62.363 8.365 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 321 60.469 8.151 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 321 59.690 7.010 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 321 60.376 9.899 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 321 58.780 9.299 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 58.874 9.396 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 59.042 7.747 2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 60.403 8.662 3.397 1.00 0.00 H new ATOM 1157 N LEU A 322 63.325 4.648 -2.064 1.00 0.00 N ATOM 1158 CA LEU A 322 64.249 3.665 -2.619 1.00 0.00 C ATOM 1159 C LEU A 322 65.108 4.282 -3.721 1.00 0.00 C ATOM 1160 O LEU A 322 66.329 4.123 -3.730 1.00 0.00 O ATOM 1161 CB LEU A 322 63.474 2.464 -3.169 1.00 0.00 C ATOM 1162 CG LEU A 322 64.334 1.352 -3.774 1.00 0.00 C ATOM 1163 CD1 LEU A 322 65.259 0.754 -2.725 1.00 0.00 C ATOM 1164 CD2 LEU A 322 63.452 0.274 -4.384 1.00 0.00 C ATOM 0 H LEU A 322 62.341 4.391 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 322 64.909 3.329 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 322 62.875 2.040 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 322 62.779 2.819 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 322 64.950 1.785 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 322 65.861 -0.034 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 322 65.915 1.531 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 322 64.665 0.336 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 322 64.078 -0.510 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 322 62.812 -0.152 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 322 62.833 0.711 -5.168 1.00 0.00 H new