USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 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 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ -164:sc= -0.0481 (180deg=-0.355) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 311 GLN : amide:sc= -2.97! C(o=-3!,f=-6.7!) USER MOD Single : A 313 SER OG : rot 81:sc= 1.29 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 61.855 -4.078 -5.975 1.00 0.00 N ATOM 156 CA GLU A 259 61.213 -5.129 -5.191 1.00 0.00 C ATOM 157 C GLU A 259 60.805 -4.609 -3.816 1.00 0.00 C ATOM 158 O GLU A 259 59.702 -4.879 -3.342 1.00 0.00 O ATOM 159 CB GLU A 259 62.154 -6.327 -5.037 1.00 0.00 C ATOM 160 CG GLU A 259 61.554 -7.476 -4.242 1.00 0.00 C ATOM 161 CD GLU A 259 62.513 -8.640 -4.087 1.00 0.00 C ATOM 162 OE1 GLU A 259 62.934 -9.204 -5.119 1.00 0.00 O ATOM 163 OE2 GLU A 259 62.844 -8.987 -2.933 1.00 0.00 O ATOM 0 HA GLU A 259 60.315 -5.447 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 259 62.433 -6.688 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 259 63.071 -5.998 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 259 61.262 -7.117 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 259 60.646 -7.821 -4.737 1.00 0.00 H new ATOM 170 N GLU A 260 61.704 -3.861 -3.182 1.00 0.00 N ATOM 171 CA GLU A 260 61.439 -3.301 -1.862 1.00 0.00 C ATOM 172 C GLU A 260 60.232 -2.368 -1.898 1.00 0.00 C ATOM 173 O GLU A 260 59.372 -2.417 -1.018 1.00 0.00 O ATOM 174 CB GLU A 260 62.666 -2.543 -1.350 1.00 0.00 C ATOM 175 CG GLU A 260 63.913 -3.405 -1.219 1.00 0.00 C ATOM 176 CD GLU A 260 63.757 -4.517 -0.198 1.00 0.00 C ATOM 177 OE1 GLU A 260 62.905 -5.406 -0.409 1.00 0.00 O ATOM 178 OE2 GLU A 260 64.486 -4.496 0.816 1.00 0.00 O ATOM 0 H GLU A 260 62.622 -3.629 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 260 61.219 -4.126 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 260 62.878 -1.715 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 260 62.433 -2.108 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 260 64.151 -3.840 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 260 64.756 -2.775 -0.937 1.00 0.00 H new ATOM 185 N GLU A 261 60.176 -1.520 -2.921 1.00 0.00 N ATOM 186 CA GLU A 261 59.074 -0.575 -3.072 1.00 0.00 C ATOM 187 C GLU A 261 57.740 -1.307 -3.175 1.00 0.00 C ATOM 188 O GLU A 261 56.753 -0.911 -2.555 1.00 0.00 O ATOM 189 CB GLU A 261 59.281 0.295 -4.314 1.00 0.00 C ATOM 190 CG GLU A 261 58.191 1.339 -4.509 1.00 0.00 C ATOM 191 CD GLU A 261 58.348 2.120 -5.800 1.00 0.00 C ATOM 192 OE1 GLU A 261 59.276 1.811 -6.575 1.00 0.00 O ATOM 193 OE2 GLU A 261 57.536 3.039 -6.039 1.00 0.00 O ATOM 0 H GLU A 261 60.880 -1.468 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 261 59.056 0.062 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 261 60.246 0.797 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 261 59.322 -0.346 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 261 57.218 0.847 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 261 58.203 2.031 -3.667 1.00 0.00 H new ATOM 200 N LEU A 262 57.720 -2.372 -3.972 1.00 0.00 N ATOM 201 CA LEU A 262 56.511 -3.163 -4.174 1.00 0.00 C ATOM 202 C LEU A 262 56.029 -3.788 -2.868 1.00 0.00 C ATOM 203 O LEU A 262 54.837 -3.769 -2.566 1.00 0.00 O ATOM 204 CB LEU A 262 56.764 -4.257 -5.214 1.00 0.00 C ATOM 205 CG LEU A 262 57.176 -3.754 -6.600 1.00 0.00 C ATOM 206 CD1 LEU A 262 57.472 -4.922 -7.528 1.00 0.00 C ATOM 207 CD2 LEU A 262 56.089 -2.868 -7.192 1.00 0.00 C ATOM 0 H LEU A 262 58.532 -2.708 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 262 55.731 -2.493 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 262 57.544 -4.920 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 262 55.859 -4.856 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 262 58.084 -3.161 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 262 57.763 -4.543 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 262 58.284 -5.519 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 262 56.581 -5.542 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 262 56.400 -2.520 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 262 55.165 -3.438 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 262 55.923 -2.010 -6.540 1.00 0.00 H new ATOM 219 N ILE A 263 56.960 -4.348 -2.101 1.00 0.00 N ATOM 220 CA ILE A 263 56.622 -4.984 -0.832 1.00 0.00 C ATOM 221 C ILE A 263 55.978 -3.990 0.131 1.00 0.00 C ATOM 222 O ILE A 263 54.929 -4.267 0.711 1.00 0.00 O ATOM 223 CB ILE A 263 57.866 -5.600 -0.163 1.00 0.00 C ATOM 224 CG1 ILE A 263 58.500 -6.643 -1.088 1.00 0.00 C ATOM 225 CG2 ILE A 263 57.496 -6.223 1.177 1.00 0.00 C ATOM 226 CD1 ILE A 263 59.772 -7.254 -0.540 1.00 0.00 C ATOM 0 H ILE A 263 57.952 -4.374 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 263 55.910 -5.778 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 263 58.594 -4.810 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 263 57.777 -7.437 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 263 58.717 -6.178 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 263 58.386 -6.654 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 263 57.084 -5.456 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 263 56.753 -7.005 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 263 60.161 -7.983 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 263 60.513 -6.470 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 263 59.559 -7.749 0.407 1.00 0.00 H new ATOM 238 N ARG A 264 56.612 -2.834 0.297 1.00 0.00 N ATOM 239 CA ARG A 264 56.099 -1.802 1.193 1.00 0.00 C ATOM 240 C ARG A 264 54.722 -1.321 0.741 1.00 0.00 C ATOM 241 O ARG A 264 53.819 -1.134 1.556 1.00 0.00 O ATOM 242 CB ARG A 264 57.068 -0.618 1.244 1.00 0.00 C ATOM 243 CG ARG A 264 58.496 -1.007 1.600 1.00 0.00 C ATOM 244 CD ARG A 264 58.585 -1.646 2.977 1.00 0.00 C ATOM 245 NE ARG A 264 59.953 -2.043 3.302 1.00 0.00 N ATOM 246 CZ ARG A 264 60.301 -2.632 4.443 1.00 0.00 C ATOM 247 NH1 ARG A 264 59.387 -2.886 5.370 1.00 0.00 N ATOM 248 NH2 ARG A 264 61.566 -2.967 4.657 1.00 0.00 N ATOM 0 H ARG A 264 57.481 -2.588 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 264 56.005 -2.235 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 264 57.068 -0.119 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 264 56.705 0.105 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 264 58.880 -1.701 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 264 59.131 -0.122 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 264 58.222 -0.944 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 264 57.934 -2.519 3.016 1.00 0.00 H new ATOM 0 HE ARG A 264 60.683 -1.858 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 264 58.413 -2.630 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 264 59.658 -3.338 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 264 62.272 -2.773 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 264 61.833 -3.419 5.532 1.00 0.00 H new ATOM 262 N LYS A 265 54.577 -1.117 -0.564 1.00 0.00 N ATOM 263 CA LYS A 265 53.320 -0.648 -1.140 1.00 0.00 C ATOM 264 C LYS A 265 52.190 -1.647 -0.900 1.00 0.00 C ATOM 265 O LYS A 265 51.091 -1.269 -0.498 1.00 0.00 O ATOM 266 CB LYS A 265 53.497 -0.412 -2.643 1.00 0.00 C ATOM 267 CG LYS A 265 52.253 0.122 -3.336 1.00 0.00 C ATOM 268 CD LYS A 265 52.493 0.316 -4.825 1.00 0.00 C ATOM 269 CE LYS A 265 51.263 0.868 -5.527 1.00 0.00 C ATOM 270 NZ LYS A 265 51.495 1.051 -6.987 1.00 0.00 N ATOM 0 H LYS A 265 55.319 -1.270 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 265 53.050 0.288 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 265 54.316 0.291 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 265 53.790 -1.350 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 265 51.424 -0.570 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 265 51.961 1.071 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 265 53.332 0.996 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 265 52.772 -0.637 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 265 50.423 0.191 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 265 50.987 1.823 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 50.634 1.429 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 52.280 1.717 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 51.733 0.135 -7.418 1.00 0.00 H new ATOM 284 N ALA A 266 52.464 -2.920 -1.159 1.00 0.00 N ATOM 285 CA ALA A 266 51.468 -3.972 -0.984 1.00 0.00 C ATOM 286 C ALA A 266 51.022 -4.101 0.470 1.00 0.00 C ATOM 287 O ALA A 266 49.833 -4.254 0.750 1.00 0.00 O ATOM 288 CB ALA A 266 52.016 -5.300 -1.484 1.00 0.00 C ATOM 0 H ALA A 266 53.370 -3.250 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 266 50.593 -3.696 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 266 51.265 -6.078 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 266 52.265 -5.216 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 266 52.912 -5.559 -0.920 1.00 0.00 H new ATOM 294 N ILE A 267 51.980 -4.057 1.391 1.00 0.00 N ATOM 295 CA ILE A 267 51.680 -4.188 2.814 1.00 0.00 C ATOM 296 C ILE A 267 50.805 -3.045 3.327 1.00 0.00 C ATOM 297 O ILE A 267 49.787 -3.282 3.976 1.00 0.00 O ATOM 298 CB ILE A 267 52.971 -4.247 3.658 1.00 0.00 C ATOM 299 CG1 ILE A 267 53.820 -5.460 3.260 1.00 0.00 C ATOM 300 CG2 ILE A 267 52.637 -4.292 5.144 1.00 0.00 C ATOM 301 CD1 ILE A 267 53.132 -6.791 3.486 1.00 0.00 C ATOM 0 H ILE A 267 52.970 -3.932 1.178 1.00 0.00 H new ATOM 0 HA ILE A 267 51.131 -5.123 2.922 1.00 0.00 H new ATOM 0 HB ILE A 267 53.550 -3.344 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 267 54.087 -5.374 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 267 54.750 -5.442 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 267 53.559 -4.333 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 267 52.076 -3.398 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 267 52.036 -5.177 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 267 53.796 -7.600 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 267 52.889 -6.900 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 267 52.216 -6.832 2.897 1.00 0.00 H new ATOM 313 N GLU A 268 51.210 -1.810 3.050 1.00 0.00 N ATOM 314 CA GLU A 268 50.459 -0.643 3.508 1.00 0.00 C ATOM 315 C GLU A 268 49.046 -0.617 2.927 1.00 0.00 C ATOM 316 O GLU A 268 48.077 -0.371 3.648 1.00 0.00 O ATOM 317 CB GLU A 268 51.200 0.649 3.152 1.00 0.00 C ATOM 318 CG GLU A 268 51.437 0.833 1.662 1.00 0.00 C ATOM 319 CD GLU A 268 52.176 2.118 1.341 1.00 0.00 C ATOM 320 OE1 GLU A 268 52.500 2.870 2.285 1.00 0.00 O ATOM 321 OE2 GLU A 268 52.432 2.373 0.146 1.00 0.00 O ATOM 0 H GLU A 268 52.049 -1.590 2.514 1.00 0.00 H new ATOM 0 HA GLU A 268 50.373 -0.716 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 268 50.629 1.499 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 268 52.161 0.659 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 268 52.008 -0.014 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 268 50.479 0.830 1.143 1.00 0.00 H new ATOM 328 N LEU A 269 48.932 -0.866 1.626 1.00 0.00 N ATOM 329 CA LEU A 269 47.634 -0.862 0.960 1.00 0.00 C ATOM 330 C LEU A 269 46.725 -1.953 1.512 1.00 0.00 C ATOM 331 O LEU A 269 45.546 -1.717 1.766 1.00 0.00 O ATOM 332 CB LEU A 269 47.803 -1.039 -0.551 1.00 0.00 C ATOM 333 CG LEU A 269 48.546 0.095 -1.262 1.00 0.00 C ATOM 334 CD1 LEU A 269 48.689 -0.210 -2.746 1.00 0.00 C ATOM 335 CD2 LEU A 269 47.824 1.420 -1.058 1.00 0.00 C ATOM 0 H LEU A 269 49.721 -1.073 1.013 1.00 0.00 H new ATOM 0 HA LEU A 269 47.167 0.104 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 269 48.336 -1.972 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 269 46.816 -1.143 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 269 49.543 0.177 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 269 49.219 0.607 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 269 49.250 -1.136 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 269 47.700 -0.320 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 269 48.368 2.213 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 269 46.815 1.351 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 269 47.772 1.646 0.007 1.00 0.00 H new ATOM 347 N SER A 270 47.276 -3.146 1.691 1.00 0.00 N ATOM 348 CA SER A 270 46.506 -4.273 2.207 1.00 0.00 C ATOM 349 C SER A 270 45.963 -3.984 3.604 1.00 0.00 C ATOM 350 O SER A 270 44.804 -4.276 3.901 1.00 0.00 O ATOM 351 CB SER A 270 47.368 -5.537 2.234 1.00 0.00 C ATOM 352 OG SER A 270 46.643 -6.639 2.752 1.00 0.00 O ATOM 0 H SER A 270 48.252 -3.360 1.487 1.00 0.00 H new ATOM 0 HA SER A 270 45.659 -4.429 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 270 47.713 -5.767 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 270 48.255 -5.363 2.843 1.00 0.00 H new ATOM 0 HG SER A 270 47.216 -7.434 2.757 1.00 0.00 H new ATOM 358 N LEU A 271 46.807 -3.416 4.459 1.00 0.00 N ATOM 359 CA LEU A 271 46.413 -3.096 5.828 1.00 0.00 C ATOM 360 C LEU A 271 45.275 -2.078 5.861 1.00 0.00 C ATOM 361 O LEU A 271 44.296 -2.255 6.587 1.00 0.00 O ATOM 362 CB LEU A 271 47.612 -2.560 6.614 1.00 0.00 C ATOM 363 CG LEU A 271 48.763 -3.551 6.805 1.00 0.00 C ATOM 364 CD1 LEU A 271 49.938 -2.879 7.501 1.00 0.00 C ATOM 365 CD2 LEU A 271 48.298 -4.764 7.598 1.00 0.00 C ATOM 0 H LEU A 271 47.769 -3.167 4.229 1.00 0.00 H new ATOM 0 HA LEU A 271 46.058 -4.016 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 271 47.995 -1.677 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 271 47.267 -2.236 7.596 1.00 0.00 H new ATOM 0 HG LEU A 271 49.092 -3.887 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 271 50.746 -3.599 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 271 50.289 -2.043 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 271 49.621 -2.513 8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 271 49.130 -5.457 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 271 47.941 -4.444 8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 271 47.489 -5.261 7.062 1.00 0.00 H new ATOM 377 N LYS A 272 45.414 -1.009 5.084 1.00 0.00 N ATOM 378 CA LYS A 272 44.397 0.039 5.043 1.00 0.00 C ATOM 379 C LYS A 272 43.092 -0.486 4.443 1.00 0.00 C ATOM 380 O LYS A 272 42.015 -0.277 5.001 1.00 0.00 O ATOM 381 CB LYS A 272 44.909 1.237 4.233 1.00 0.00 C ATOM 382 CG LYS A 272 44.208 2.553 4.552 1.00 0.00 C ATOM 383 CD LYS A 272 42.748 2.544 4.128 1.00 0.00 C ATOM 384 CE LYS A 272 42.050 3.839 4.510 1.00 0.00 C ATOM 385 NZ LYS A 272 42.093 4.079 5.979 1.00 0.00 N ATOM 0 H LYS A 272 46.216 -0.844 4.476 1.00 0.00 H new ATOM 0 HA LYS A 272 44.195 0.359 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 272 45.977 1.354 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 272 44.788 1.022 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 272 44.272 2.747 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 272 44.726 3.370 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 272 42.682 2.398 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 272 42.237 1.702 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 272 42.523 4.673 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 272 41.012 3.804 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 41.393 4.805 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 41.873 3.195 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 43.043 4.404 6.250 1.00 0.00 H new ATOM 892 N ASP A 305 -38.883 -1.120 3.004 1.00 0.00 N ATOM 893 CA ASP A 305 -39.689 -0.047 2.432 1.00 0.00 C ATOM 894 C ASP A 305 -40.804 -0.607 1.552 1.00 0.00 C ATOM 895 O ASP A 305 -41.931 -0.113 1.574 1.00 0.00 O ATOM 896 CB ASP A 305 -38.802 0.896 1.614 1.00 0.00 C ATOM 897 CG ASP A 305 -39.557 2.100 1.079 1.00 0.00 C ATOM 898 OD1 ASP A 305 -40.758 2.239 1.391 1.00 0.00 O ATOM 899 OD2 ASP A 305 -38.942 2.908 0.352 1.00 0.00 O ATOM 0 HA ASP A 305 -40.147 0.508 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -37.975 1.239 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -38.367 0.346 0.780 1.00 0.00 H new ATOM 904 N LEU A 306 -40.479 -1.634 0.774 1.00 0.00 N ATOM 905 CA LEU A 306 -41.449 -2.257 -0.123 1.00 0.00 C ATOM 906 C LEU A 306 -42.656 -2.792 0.646 1.00 0.00 C ATOM 907 O LEU A 306 -43.801 -2.493 0.304 1.00 0.00 O ATOM 908 CB LEU A 306 -40.787 -3.391 -0.909 1.00 0.00 C ATOM 909 CG LEU A 306 -41.705 -4.127 -1.889 1.00 0.00 C ATOM 910 CD1 LEU A 306 -42.193 -3.184 -2.978 1.00 0.00 C ATOM 911 CD2 LEU A 306 -40.984 -5.320 -2.497 1.00 0.00 C ATOM 0 H LEU A 306 -39.550 -2.054 0.746 1.00 0.00 H new ATOM 0 HA LEU A 306 -41.801 -1.493 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -39.943 -2.982 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -40.383 -4.115 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 306 -42.573 -4.492 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -42.844 -3.726 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -42.747 -2.362 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -41.338 -2.787 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -41.650 -5.832 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -40.098 -4.976 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -40.686 -6.008 -1.705 1.00 0.00 H new ATOM 923 N LYS A 307 -42.394 -3.587 1.680 1.00 0.00 N ATOM 924 CA LYS A 307 -43.463 -4.166 2.489 1.00 0.00 C ATOM 925 C LYS A 307 -44.323 -3.078 3.127 1.00 0.00 C ATOM 926 O LYS A 307 -45.553 -3.138 3.079 1.00 0.00 O ATOM 927 CB LYS A 307 -42.876 -5.070 3.575 1.00 0.00 C ATOM 928 CG LYS A 307 -42.086 -6.248 3.028 1.00 0.00 C ATOM 929 CD LYS A 307 -41.552 -7.129 4.146 1.00 0.00 C ATOM 930 CE LYS A 307 -40.771 -8.312 3.598 1.00 0.00 C ATOM 931 NZ LYS A 307 -40.248 -9.185 4.686 1.00 0.00 N ATOM 0 H LYS A 307 -41.453 -3.845 1.977 1.00 0.00 H new ATOM 0 HA LYS A 307 -44.097 -4.761 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -42.227 -4.476 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -43.686 -5.446 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -42.722 -6.840 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -41.256 -5.882 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -40.910 -6.539 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -42.382 -7.490 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -41.413 -8.897 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -39.940 -7.949 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -39.722 -9.980 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -39.615 -8.633 5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -41.042 -9.552 5.249 1.00 0.00 H new ATOM 945 N ALA A 308 -43.669 -2.088 3.724 1.00 0.00 N ATOM 946 CA ALA A 308 -44.370 -0.987 4.374 1.00 0.00 C ATOM 947 C ALA A 308 -45.270 -0.247 3.389 1.00 0.00 C ATOM 948 O ALA A 308 -46.397 0.121 3.720 1.00 0.00 O ATOM 949 CB ALA A 308 -43.373 -0.026 5.003 1.00 0.00 C ATOM 0 H ALA A 308 -42.652 -2.025 3.771 1.00 0.00 H new ATOM 0 HA ALA A 308 -45.002 -1.405 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -43.910 0.791 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -42.776 -0.556 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -42.718 0.376 4.230 1.00 0.00 H new ATOM 955 N ALA A 309 -44.760 -0.029 2.181 1.00 0.00 N ATOM 956 CA ALA A 309 -45.512 0.672 1.145 1.00 0.00 C ATOM 957 C ALA A 309 -46.774 -0.091 0.756 1.00 0.00 C ATOM 958 O ALA A 309 -47.843 0.499 0.607 1.00 0.00 O ATOM 959 CB ALA A 309 -44.635 0.900 -0.078 1.00 0.00 C ATOM 0 H ALA A 309 -43.828 -0.328 1.895 1.00 0.00 H new ATOM 0 HA ALA A 309 -45.818 1.637 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -45.207 1.424 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -43.769 1.500 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -44.299 -0.060 -0.469 1.00 0.00 H new ATOM 965 N ILE A 310 -46.644 -1.401 0.582 1.00 0.00 N ATOM 966 CA ILE A 310 -47.778 -2.236 0.199 1.00 0.00 C ATOM 967 C ILE A 310 -48.878 -2.207 1.259 1.00 0.00 C ATOM 968 O ILE A 310 -50.058 -2.071 0.935 1.00 0.00 O ATOM 969 CB ILE A 310 -47.346 -3.698 -0.040 1.00 0.00 C ATOM 970 CG1 ILE A 310 -46.259 -3.765 -1.119 1.00 0.00 C ATOM 971 CG2 ILE A 310 -48.544 -4.552 -0.432 1.00 0.00 C ATOM 972 CD1 ILE A 310 -46.692 -3.211 -2.461 1.00 0.00 C ATOM 0 H ILE A 310 -45.767 -1.908 0.700 1.00 0.00 H new ATOM 0 HA ILE A 310 -48.169 -1.823 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 310 -46.934 -4.093 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -45.384 -3.214 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -45.952 -4.803 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -48.220 -5.580 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -49.285 -4.529 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -48.986 -4.160 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -45.869 -3.293 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -47.547 -3.777 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -46.971 -2.163 -2.349 1.00 0.00 H new ATOM 984 N GLN A 311 -48.487 -2.346 2.523 1.00 0.00 N ATOM 985 CA GLN A 311 -49.445 -2.347 3.628 1.00 0.00 C ATOM 986 C GLN A 311 -50.186 -1.015 3.740 1.00 0.00 C ATOM 987 O GLN A 311 -51.414 -0.986 3.827 1.00 0.00 O ATOM 988 CB GLN A 311 -48.731 -2.651 4.947 1.00 0.00 C ATOM 989 CG GLN A 311 -48.111 -4.039 5.006 1.00 0.00 C ATOM 990 CD GLN A 311 -49.144 -5.148 4.944 1.00 0.00 C ATOM 991 OE1 GLN A 311 -49.859 -5.294 3.953 1.00 0.00 O ATOM 992 NE2 GLN A 311 -49.230 -5.936 6.010 1.00 0.00 N ATOM 0 H GLN A 311 -47.514 -2.459 2.809 1.00 0.00 H new ATOM 0 HA GLN A 311 -50.180 -3.125 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -47.950 -1.908 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -49.442 -2.546 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -47.411 -4.154 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -47.536 -4.136 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -48.618 -5.780 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -49.908 -6.697 6.028 1.00 0.00 H new ATOM 1001 N GLU A 312 -49.438 0.083 3.750 1.00 0.00 N ATOM 1002 CA GLU A 312 -50.034 1.412 3.868 1.00 0.00 C ATOM 1003 C GLU A 312 -50.941 1.729 2.682 1.00 0.00 C ATOM 1004 O GLU A 312 -51.988 2.357 2.843 1.00 0.00 O ATOM 1005 CB GLU A 312 -48.944 2.481 3.993 1.00 0.00 C ATOM 1006 CG GLU A 312 -48.024 2.563 2.787 1.00 0.00 C ATOM 1007 CD GLU A 312 -46.956 3.627 2.941 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -47.317 4.812 3.095 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -45.758 3.275 2.908 1.00 0.00 O ATOM 0 H GLU A 312 -48.421 0.081 3.678 1.00 0.00 H new ATOM 0 HA GLU A 312 -50.645 1.417 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -49.416 3.452 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -48.346 2.275 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -47.548 1.595 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -48.616 2.774 1.896 1.00 0.00 H new ATOM 1016 N SER A 313 -50.530 1.304 1.494 1.00 0.00 N ATOM 1017 CA SER A 313 -51.304 1.558 0.283 1.00 0.00 C ATOM 1018 C SER A 313 -52.649 0.837 0.311 1.00 0.00 C ATOM 1019 O SER A 313 -53.687 1.439 0.034 1.00 0.00 O ATOM 1020 CB SER A 313 -50.511 1.134 -0.954 1.00 0.00 C ATOM 1021 OG SER A 313 -49.317 1.887 -1.078 1.00 0.00 O ATOM 0 H SER A 313 -49.667 0.783 1.342 1.00 0.00 H new ATOM 0 HA SER A 313 -51.498 2.630 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 313 -50.270 0.073 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 313 -51.123 1.268 -1.846 1.00 0.00 H new ATOM 0 HG SER A 313 -48.631 1.513 -0.486 1.00 0.00 H new ATOM 1027 N LEU A 314 -52.629 -0.453 0.632 1.00 0.00 N ATOM 1028 CA LEU A 314 -53.856 -1.241 0.677 1.00 0.00 C ATOM 1029 C LEU A 314 -54.798 -0.747 1.773 1.00 0.00 C ATOM 1030 O LEU A 314 -56.015 -0.736 1.593 1.00 0.00 O ATOM 1031 CB LEU A 314 -53.538 -2.734 0.854 1.00 0.00 C ATOM 1032 CG LEU A 314 -52.719 -3.111 2.094 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -53.599 -3.165 3.335 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -52.019 -4.443 1.879 1.00 0.00 C ATOM 0 H LEU A 314 -51.782 -0.972 0.863 1.00 0.00 H new ATOM 0 HA LEU A 314 -54.369 -1.113 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -54.479 -3.283 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -52.999 -3.076 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 314 -51.964 -2.340 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -52.993 -3.435 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -54.054 -2.189 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -54.382 -3.911 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -51.441 -4.698 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -52.762 -5.219 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -51.351 -4.369 1.021 1.00 0.00 H new ATOM 1046 N ARG A 315 -54.234 -0.339 2.907 1.00 0.00 N ATOM 1047 CA ARG A 315 -55.039 0.152 4.022 1.00 0.00 C ATOM 1048 C ARG A 315 -55.752 1.450 3.649 1.00 0.00 C ATOM 1049 O ARG A 315 -56.949 1.606 3.895 1.00 0.00 O ATOM 1050 CB ARG A 315 -54.164 0.370 5.259 1.00 0.00 C ATOM 1051 CG ARG A 315 -54.941 0.840 6.479 1.00 0.00 C ATOM 1052 CD ARG A 315 -54.049 0.996 7.706 1.00 0.00 C ATOM 1053 NE ARG A 315 -53.488 -0.278 8.158 1.00 0.00 N ATOM 1054 CZ ARG A 315 -52.394 -0.839 7.644 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -51.694 -0.212 6.708 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -51.987 -2.022 8.083 1.00 0.00 N ATOM 0 H ARG A 315 -53.228 -0.338 3.078 1.00 0.00 H new ATOM 0 HA ARG A 315 -55.792 -0.602 4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -53.653 -0.562 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -53.394 1.104 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -55.420 1.793 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -55.736 0.127 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -53.237 1.685 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -54.626 1.443 8.516 1.00 0.00 H new ATOM 0 HE ARG A 315 -53.965 -0.768 8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -51.992 0.706 6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -50.858 -0.647 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -52.511 -2.503 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -51.150 -2.451 7.690 1.00 0.00 H new ATOM 1070 N GLU A 316 -55.008 2.377 3.051 1.00 0.00 N ATOM 1071 CA GLU A 316 -55.566 3.661 2.640 1.00 0.00 C ATOM 1072 C GLU A 316 -56.691 3.463 1.628 1.00 0.00 C ATOM 1073 O GLU A 316 -57.756 4.072 1.740 1.00 0.00 O ATOM 1074 CB GLU A 316 -54.471 4.547 2.039 1.00 0.00 C ATOM 1075 CG GLU A 316 -54.959 5.924 1.621 1.00 0.00 C ATOM 1076 CD GLU A 316 -53.857 6.772 1.015 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -53.291 6.359 -0.019 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -53.561 7.849 1.574 1.00 0.00 O ATOM 0 H GLU A 316 -54.017 2.262 2.840 1.00 0.00 H new ATOM 0 HA GLU A 316 -55.977 4.152 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -53.668 4.662 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -54.044 4.044 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -55.768 5.815 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -55.373 6.438 2.489 1.00 0.00 H new ATOM 1085 N ALA A 317 -56.448 2.601 0.645 1.00 0.00 N ATOM 1086 CA ALA A 317 -57.439 2.314 -0.385 1.00 0.00 C ATOM 1087 C ALA A 317 -58.703 1.723 0.229 1.00 0.00 C ATOM 1088 O ALA A 317 -59.817 2.061 -0.171 1.00 0.00 O ATOM 1089 CB ALA A 317 -56.859 1.364 -1.424 1.00 0.00 C ATOM 0 H ALA A 317 -55.572 2.089 0.541 1.00 0.00 H new ATOM 0 HA ALA A 317 -57.705 3.250 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -57.609 1.158 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -55.985 1.822 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -56.567 0.431 -0.941 1.00 0.00 H new ATOM 1095 N GLU A 318 -58.518 0.837 1.203 1.00 0.00 N ATOM 1096 CA GLU A 318 -59.637 0.193 1.880 1.00 0.00 C ATOM 1097 C GLU A 318 -60.521 1.222 2.577 1.00 0.00 C ATOM 1098 O GLU A 318 -61.747 1.155 2.498 1.00 0.00 O ATOM 1099 CB GLU A 318 -59.124 -0.827 2.900 1.00 0.00 C ATOM 1100 CG GLU A 318 -60.232 -1.548 3.653 1.00 0.00 C ATOM 1101 CD GLU A 318 -59.702 -2.529 4.682 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -58.465 -2.643 4.816 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -60.525 -3.183 5.356 1.00 0.00 O ATOM 0 H GLU A 318 -57.600 0.548 1.541 1.00 0.00 H new ATOM 0 HA GLU A 318 -60.235 -0.321 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -58.507 -1.564 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -58.480 -0.318 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -60.865 -0.813 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -60.862 -2.081 2.941 1.00 0.00 H new ATOM 1110 N GLU A 319 -59.890 2.170 3.264 1.00 0.00 N ATOM 1111 CA GLU A 319 -60.621 3.210 3.981 1.00 0.00 C ATOM 1112 C GLU A 319 -61.425 4.087 3.022 1.00 0.00 C ATOM 1113 O GLU A 319 -62.593 4.387 3.275 1.00 0.00 O ATOM 1114 CB GLU A 319 -59.653 4.073 4.793 1.00 0.00 C ATOM 1115 CG GLU A 319 -58.867 3.289 5.831 1.00 0.00 C ATOM 1116 CD GLU A 319 -57.918 4.162 6.629 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -57.025 4.784 6.015 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -58.068 4.224 7.867 1.00 0.00 O ATOM 0 H GLU A 319 -58.875 2.239 3.339 1.00 0.00 H new ATOM 0 HA GLU A 319 -61.321 2.720 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -58.955 4.561 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -60.214 4.862 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -59.562 2.798 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -58.299 2.503 5.333 1.00 0.00 H new ATOM 1125 N ALA A 320 -60.794 4.498 1.925 1.00 0.00 N ATOM 1126 CA ALA A 320 -61.454 5.344 0.936 1.00 0.00 C ATOM 1127 C ALA A 320 -62.685 4.658 0.349 1.00 0.00 C ATOM 1128 O ALA A 320 -63.761 5.252 0.272 1.00 0.00 O ATOM 1129 CB ALA A 320 -60.481 5.718 -0.172 1.00 0.00 C ATOM 0 H ALA A 320 -59.828 4.259 1.699 1.00 0.00 H new ATOM 0 HA ALA A 320 -61.785 6.252 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -60.987 6.349 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -59.636 6.260 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -60.122 4.813 -0.661 1.00 0.00 H new ATOM 1135 N LYS A 321 -62.518 3.406 -0.065 1.00 0.00 N ATOM 1136 CA LYS A 321 -63.613 2.636 -0.648 1.00 0.00 C ATOM 1137 C LYS A 321 -64.716 2.388 0.377 1.00 0.00 C ATOM 1138 O LYS A 321 -65.902 2.448 0.054 1.00 0.00 O ATOM 1139 CB LYS A 321 -63.092 1.300 -1.186 1.00 0.00 C ATOM 1140 CG LYS A 321 -64.171 0.436 -1.820 1.00 0.00 C ATOM 1141 CD LYS A 321 -63.609 -0.888 -2.318 1.00 0.00 C ATOM 1142 CE LYS A 321 -63.049 -1.726 -1.179 1.00 0.00 C ATOM 1143 NZ LYS A 321 -62.499 -3.022 -1.661 1.00 0.00 N ATOM 0 H LYS A 321 -61.633 2.902 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 321 -64.033 3.216 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -62.314 1.494 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -62.627 0.746 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -64.960 0.246 -1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -64.627 0.974 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -64.393 -1.447 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -62.824 -0.698 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -62.265 -1.167 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -63.834 -1.915 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -62.127 -3.563 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -63.253 -3.567 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -61.732 -2.843 -2.340 1.00 0.00 H new ATOM 1157 N LEU A 322 -64.314 2.100 1.610 1.00 0.00 N ATOM 1158 CA LEU A 322 -65.261 1.831 2.687 1.00 0.00 C ATOM 1159 C LEU A 322 -66.177 3.025 2.937 1.00 0.00 C ATOM 1160 O LEU A 322 -67.375 2.860 3.165 1.00 0.00 O ATOM 1161 CB LEU A 322 -64.510 1.474 3.974 1.00 0.00 C ATOM 1162 CG LEU A 322 -65.395 1.199 5.193 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -66.306 0.007 4.939 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -64.539 0.964 6.428 1.00 0.00 C ATOM 0 H LEU A 322 -63.335 2.047 1.890 1.00 0.00 H new ATOM 0 HA LEU A 322 -65.880 0.987 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -63.897 0.593 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -63.829 2.290 4.216 1.00 0.00 H new ATOM 0 HG LEU A 322 -66.021 2.074 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -66.926 -0.171 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -66.945 0.214 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -65.701 -0.877 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -65.183 0.770 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -63.888 0.106 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -63.931 1.848 6.623 1.00 0.00 H new