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+ 167:sc= -0.0279 (180deg=-0.232) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 LYS NZ :NH3+ -165:sc= -0.0485 (180deg=-0.296) USER MOD Single : A 311 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -165:sc= -0.0433 (180deg=-0.302) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 57.001 12.253 2.298 1.00 0.00 N ATOM 156 CA GLU A 259 55.973 11.835 3.244 1.00 0.00 C ATOM 157 C GLU A 259 54.712 11.398 2.508 1.00 0.00 C ATOM 158 O GLU A 259 54.030 10.462 2.924 1.00 0.00 O ATOM 159 CB GLU A 259 55.647 12.972 4.215 1.00 0.00 C ATOM 160 CG GLU A 259 55.155 14.238 3.531 1.00 0.00 C ATOM 161 CD GLU A 259 54.846 15.349 4.516 1.00 0.00 C ATOM 162 OE1 GLU A 259 53.980 15.142 5.392 1.00 0.00 O ATOM 163 OE2 GLU A 259 55.469 16.427 4.410 1.00 0.00 O ATOM 0 HA GLU A 259 56.356 10.987 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 259 54.887 12.631 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 259 56.538 13.207 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 259 55.911 14.583 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 259 54.259 14.010 2.953 1.00 0.00 H new ATOM 170 N GLU A 260 54.411 12.089 1.413 1.00 0.00 N ATOM 171 CA GLU A 260 53.233 11.787 0.608 1.00 0.00 C ATOM 172 C GLU A 260 53.201 10.316 0.205 1.00 0.00 C ATOM 173 O GLU A 260 52.131 9.719 0.093 1.00 0.00 O ATOM 174 CB GLU A 260 53.210 12.667 -0.643 1.00 0.00 C ATOM 175 CG GLU A 260 53.224 14.157 -0.340 1.00 0.00 C ATOM 176 CD GLU A 260 53.190 15.007 -1.595 1.00 0.00 C ATOM 177 OE1 GLU A 260 52.217 14.888 -2.368 1.00 0.00 O ATOM 178 OE2 GLU A 260 54.138 15.794 -1.805 1.00 0.00 O ATOM 0 H GLU A 260 54.970 12.866 1.062 1.00 0.00 H new ATOM 0 HA GLU A 260 52.351 11.995 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 260 54.072 12.423 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 260 52.320 12.432 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 260 52.367 14.405 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 260 54.118 14.399 0.234 1.00 0.00 H new ATOM 185 N GLU A 261 54.378 9.741 -0.022 1.00 0.00 N ATOM 186 CA GLU A 261 54.481 8.341 -0.423 1.00 0.00 C ATOM 187 C GLU A 261 53.877 7.413 0.631 1.00 0.00 C ATOM 188 O GLU A 261 53.024 6.580 0.322 1.00 0.00 O ATOM 189 CB GLU A 261 55.946 7.968 -0.662 1.00 0.00 C ATOM 190 CG GLU A 261 56.144 6.534 -1.129 1.00 0.00 C ATOM 191 CD GLU A 261 55.473 6.255 -2.460 1.00 0.00 C ATOM 192 OE1 GLU A 261 55.832 6.916 -3.456 1.00 0.00 O ATOM 193 OE2 GLU A 261 54.589 5.373 -2.505 1.00 0.00 O ATOM 0 H GLU A 261 55.273 10.222 0.065 1.00 0.00 H new ATOM 0 HA GLU A 261 53.918 8.217 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 261 56.367 8.644 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 261 56.506 8.121 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 261 57.211 6.328 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 261 55.747 5.853 -0.376 1.00 0.00 H new ATOM 200 N LEU A 262 54.329 7.559 1.873 1.00 0.00 N ATOM 201 CA LEU A 262 53.838 6.729 2.970 1.00 0.00 C ATOM 202 C LEU A 262 52.360 6.987 3.245 1.00 0.00 C ATOM 203 O LEU A 262 51.575 6.049 3.391 1.00 0.00 O ATOM 204 CB LEU A 262 54.657 6.984 4.238 1.00 0.00 C ATOM 205 CG LEU A 262 56.150 6.662 4.127 1.00 0.00 C ATOM 206 CD1 LEU A 262 56.863 6.984 5.432 1.00 0.00 C ATOM 207 CD2 LEU A 262 56.358 5.200 3.755 1.00 0.00 C ATOM 0 H LEU A 262 55.034 8.244 2.146 1.00 0.00 H new ATOM 0 HA LEU A 262 53.951 5.686 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 262 54.548 8.032 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 262 54.234 6.392 5.050 1.00 0.00 H new ATOM 0 HG LEU A 262 56.576 7.281 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 262 57.923 6.749 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 262 56.745 8.044 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 262 56.432 6.390 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 262 57.425 4.992 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 262 55.916 4.563 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 262 55.882 4.997 2.796 1.00 0.00 H new ATOM 219 N ILE A 263 51.986 8.261 3.319 1.00 0.00 N ATOM 220 CA ILE A 263 50.601 8.638 3.581 1.00 0.00 C ATOM 221 C ILE A 263 49.665 8.034 2.538 1.00 0.00 C ATOM 222 O ILE A 263 48.623 7.469 2.875 1.00 0.00 O ATOM 223 CB ILE A 263 50.427 10.170 3.590 1.00 0.00 C ATOM 224 CG1 ILE A 263 51.347 10.801 4.639 1.00 0.00 C ATOM 225 CG2 ILE A 263 48.974 10.538 3.859 1.00 0.00 C ATOM 226 CD1 ILE A 263 51.293 12.314 4.669 1.00 0.00 C ATOM 0 H ILE A 263 52.622 9.049 3.201 1.00 0.00 H new ATOM 0 HA ILE A 263 50.345 8.248 4.566 1.00 0.00 H new ATOM 0 HB ILE A 263 50.702 10.559 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 263 51.077 10.418 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 263 52.373 10.487 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 263 48.868 11.623 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 263 48.341 10.114 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 263 48.672 10.141 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 263 51.971 12.687 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 263 51.592 12.708 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 263 50.277 12.637 4.894 1.00 0.00 H new ATOM 238 N ARG A 264 50.050 8.154 1.273 1.00 0.00 N ATOM 239 CA ARG A 264 49.256 7.619 0.173 1.00 0.00 C ATOM 240 C ARG A 264 49.121 6.105 0.292 1.00 0.00 C ATOM 241 O ARG A 264 48.042 5.550 0.081 1.00 0.00 O ATOM 242 CB ARG A 264 49.894 7.988 -1.168 1.00 0.00 C ATOM 243 CG ARG A 264 49.159 7.425 -2.373 1.00 0.00 C ATOM 244 CD ARG A 264 49.805 7.875 -3.674 1.00 0.00 C ATOM 245 NE ARG A 264 49.156 7.288 -4.846 1.00 0.00 N ATOM 246 CZ ARG A 264 47.888 7.510 -5.181 1.00 0.00 C ATOM 247 NH1 ARG A 264 47.131 8.313 -4.445 1.00 0.00 N ATOM 248 NH2 ARG A 264 47.375 6.931 -6.258 1.00 0.00 N ATOM 0 H ARG A 264 50.910 8.619 0.983 1.00 0.00 H new ATOM 0 HA ARG A 264 48.260 8.058 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 264 49.935 9.074 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 264 50.923 7.629 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 264 49.156 6.336 -2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 264 48.118 7.748 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 264 49.760 8.962 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 264 50.859 7.599 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 264 49.709 6.672 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 264 47.521 8.764 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 264 46.159 8.479 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 264 47.953 6.315 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 264 46.403 7.102 -6.514 1.00 0.00 H new ATOM 262 N LYS A 265 50.222 5.443 0.633 1.00 0.00 N ATOM 263 CA LYS A 265 50.227 3.992 0.782 1.00 0.00 C ATOM 264 C LYS A 265 49.242 3.549 1.860 1.00 0.00 C ATOM 265 O LYS A 265 48.507 2.578 1.680 1.00 0.00 O ATOM 266 CB LYS A 265 51.635 3.497 1.126 1.00 0.00 C ATOM 267 CG LYS A 265 51.720 1.993 1.342 1.00 0.00 C ATOM 268 CD LYS A 265 51.340 1.219 0.086 1.00 0.00 C ATOM 269 CE LYS A 265 52.307 1.493 -1.056 1.00 0.00 C ATOM 270 NZ LYS A 265 53.697 1.083 -0.717 1.00 0.00 N ATOM 0 H LYS A 265 51.122 5.888 0.811 1.00 0.00 H new ATOM 0 HA LYS A 265 49.917 3.555 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 265 52.316 3.779 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 265 51.979 4.004 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 265 52.733 1.725 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 265 51.060 1.705 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 265 51.329 0.151 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 265 50.330 1.492 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 265 51.978 0.958 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 265 52.291 2.556 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 54.278 1.078 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 54.100 1.755 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 53.686 0.130 -0.301 1.00 0.00 H new ATOM 284 N ALA A 266 49.234 4.264 2.981 1.00 0.00 N ATOM 285 CA ALA A 266 48.342 3.942 4.089 1.00 0.00 C ATOM 286 C ALA A 266 46.878 4.074 3.680 1.00 0.00 C ATOM 287 O ALA A 266 46.069 3.184 3.943 1.00 0.00 O ATOM 288 CB ALA A 266 48.640 4.838 5.283 1.00 0.00 C ATOM 0 H ALA A 266 49.836 5.071 3.146 1.00 0.00 H new ATOM 0 HA ALA A 266 48.518 2.904 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 266 47.967 4.587 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 266 49.672 4.689 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 266 48.495 5.881 5.001 1.00 0.00 H new ATOM 294 N ILE A 267 46.544 5.188 3.035 1.00 0.00 N ATOM 295 CA ILE A 267 45.176 5.433 2.592 1.00 0.00 C ATOM 296 C ILE A 267 44.702 4.334 1.644 1.00 0.00 C ATOM 297 O ILE A 267 43.606 3.798 1.798 1.00 0.00 O ATOM 298 CB ILE A 267 45.052 6.797 1.882 1.00 0.00 C ATOM 299 CG1 ILE A 267 45.472 7.933 2.822 1.00 0.00 C ATOM 300 CG2 ILE A 267 43.629 7.012 1.381 1.00 0.00 C ATOM 301 CD1 ILE A 267 44.624 8.042 4.073 1.00 0.00 C ATOM 0 H ILE A 267 47.201 5.934 2.808 1.00 0.00 H new ATOM 0 HA ILE A 267 44.549 5.437 3.483 1.00 0.00 H new ATOM 0 HB ILE A 267 45.721 6.799 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 267 46.512 7.785 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 267 45.424 8.877 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 267 43.561 7.979 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 267 43.368 6.222 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 267 42.939 6.989 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 267 44.984 8.868 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 267 43.586 8.222 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 267 44.691 7.114 4.640 1.00 0.00 H new ATOM 313 N GLU A 268 45.539 4.008 0.666 1.00 0.00 N ATOM 314 CA GLU A 268 45.214 2.975 -0.313 1.00 0.00 C ATOM 315 C GLU A 268 45.088 1.607 0.352 1.00 0.00 C ATOM 316 O GLU A 268 44.252 0.793 -0.040 1.00 0.00 O ATOM 317 CB GLU A 268 46.286 2.930 -1.404 1.00 0.00 C ATOM 318 CG GLU A 268 46.020 1.888 -2.480 1.00 0.00 C ATOM 319 CD GLU A 268 47.100 1.861 -3.543 1.00 0.00 C ATOM 320 OE1 GLU A 268 47.307 2.899 -4.207 1.00 0.00 O ATOM 321 OE2 GLU A 268 47.741 0.802 -3.711 1.00 0.00 O ATOM 0 H GLU A 268 46.450 4.445 0.529 1.00 0.00 H new ATOM 0 HA GLU A 268 44.253 3.224 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 268 46.357 3.912 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 268 47.252 2.725 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 268 45.946 0.904 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 268 45.058 2.093 -2.950 1.00 0.00 H new ATOM 328 N LEU A 269 45.927 1.359 1.353 1.00 0.00 N ATOM 329 CA LEU A 269 45.917 0.087 2.068 1.00 0.00 C ATOM 330 C LEU A 269 44.574 -0.134 2.755 1.00 0.00 C ATOM 331 O LEU A 269 43.986 -1.211 2.659 1.00 0.00 O ATOM 332 CB LEU A 269 47.057 0.060 3.098 1.00 0.00 C ATOM 333 CG LEU A 269 47.390 -1.313 3.698 1.00 0.00 C ATOM 334 CD1 LEU A 269 48.704 -1.250 4.459 1.00 0.00 C ATOM 335 CD2 LEU A 269 46.279 -1.795 4.619 1.00 0.00 C ATOM 0 H LEU A 269 46.624 2.024 1.688 1.00 0.00 H new ATOM 0 HA LEU A 269 46.067 -0.720 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 269 47.956 0.456 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 269 46.800 0.738 3.912 1.00 0.00 H new ATOM 0 HG LEU A 269 47.485 -2.024 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 269 48.928 -2.230 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 269 49.504 -0.955 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 269 48.623 -0.520 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 269 46.543 -2.770 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 269 46.147 -1.083 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 269 45.350 -1.878 4.055 1.00 0.00 H new ATOM 347 N SER A 270 44.097 0.890 3.452 1.00 0.00 N ATOM 348 CA SER A 270 42.825 0.804 4.163 1.00 0.00 C ATOM 349 C SER A 270 41.655 0.667 3.192 1.00 0.00 C ATOM 350 O SER A 270 40.776 -0.175 3.381 1.00 0.00 O ATOM 351 CB SER A 270 42.626 2.036 5.047 1.00 0.00 C ATOM 352 OG SER A 270 41.404 1.961 5.760 1.00 0.00 O ATOM 0 H SER A 270 44.570 1.789 3.541 1.00 0.00 H new ATOM 0 HA SER A 270 42.854 -0.087 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 270 43.455 2.121 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 270 42.636 2.935 4.431 1.00 0.00 H new ATOM 0 HG SER A 270 41.302 2.760 6.319 1.00 0.00 H new ATOM 358 N LEU A 271 41.649 1.501 2.158 1.00 0.00 N ATOM 359 CA LEU A 271 40.586 1.479 1.160 1.00 0.00 C ATOM 360 C LEU A 271 40.528 0.134 0.440 1.00 0.00 C ATOM 361 O LEU A 271 39.453 -0.331 0.062 1.00 0.00 O ATOM 362 CB LEU A 271 40.787 2.606 0.145 1.00 0.00 C ATOM 363 CG LEU A 271 40.754 4.021 0.729 1.00 0.00 C ATOM 364 CD1 LEU A 271 41.019 5.051 -0.358 1.00 0.00 C ATOM 365 CD2 LEU A 271 39.416 4.291 1.405 1.00 0.00 C ATOM 0 H LEU A 271 42.370 2.202 1.989 1.00 0.00 H new ATOM 0 HA LEU A 271 39.639 1.628 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 271 41.745 2.458 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 271 40.014 2.527 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 271 41.540 4.101 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 271 40.992 6.051 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 271 42.000 4.872 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 271 40.255 4.969 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 271 39.412 5.301 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 271 38.613 4.192 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 271 39.264 3.573 2.211 1.00 0.00 H new ATOM 377 N LYS A 272 41.691 -0.482 0.247 1.00 0.00 N ATOM 378 CA LYS A 272 41.775 -1.770 -0.436 1.00 0.00 C ATOM 379 C LYS A 272 40.859 -2.802 0.219 1.00 0.00 C ATOM 380 O LYS A 272 40.073 -3.464 -0.458 1.00 0.00 O ATOM 381 CB LYS A 272 43.217 -2.279 -0.431 1.00 0.00 C ATOM 382 CG LYS A 272 43.408 -3.576 -1.200 1.00 0.00 C ATOM 383 CD LYS A 272 44.839 -4.079 -1.097 1.00 0.00 C ATOM 384 CE LYS A 272 45.036 -5.366 -1.881 1.00 0.00 C ATOM 385 NZ LYS A 272 46.429 -5.879 -1.768 1.00 0.00 N ATOM 0 H LYS A 272 42.590 -0.110 0.554 1.00 0.00 H new ATOM 0 HA LYS A 272 41.448 -1.625 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 272 43.865 -1.514 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 272 43.537 -2.427 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 272 42.726 -4.333 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 272 43.150 -3.420 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 272 45.522 -3.316 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 272 45.092 -4.247 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 272 44.340 -6.122 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 272 44.798 -5.192 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 46.521 -6.758 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 47.092 -5.168 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 46.649 -6.070 -0.770 1.00 0.00 H new ATOM 892 N ASP A 305 -33.595 2.354 6.051 1.00 0.00 N ATOM 893 CA ASP A 305 -34.110 3.610 5.508 1.00 0.00 C ATOM 894 C ASP A 305 -35.047 3.372 4.324 1.00 0.00 C ATOM 895 O ASP A 305 -36.175 3.868 4.304 1.00 0.00 O ATOM 896 CB ASP A 305 -32.951 4.513 5.081 1.00 0.00 C ATOM 897 CG ASP A 305 -33.427 5.840 4.522 1.00 0.00 C ATOM 898 OD1 ASP A 305 -34.113 6.582 5.256 1.00 0.00 O ATOM 899 OD2 ASP A 305 -33.113 6.136 3.350 1.00 0.00 O ATOM 0 HA ASP A 305 -34.683 4.100 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -32.301 4.695 5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -32.352 3.999 4.329 1.00 0.00 H new ATOM 904 N LEU A 306 -34.572 2.617 3.336 1.00 0.00 N ATOM 905 CA LEU A 306 -35.367 2.323 2.145 1.00 0.00 C ATOM 906 C LEU A 306 -36.678 1.636 2.515 1.00 0.00 C ATOM 907 O LEU A 306 -37.738 1.980 1.992 1.00 0.00 O ATOM 908 CB LEU A 306 -34.576 1.447 1.166 1.00 0.00 C ATOM 909 CG LEU A 306 -33.421 2.144 0.435 1.00 0.00 C ATOM 910 CD1 LEU A 306 -33.928 3.349 -0.343 1.00 0.00 C ATOM 911 CD2 LEU A 306 -32.329 2.558 1.412 1.00 0.00 C ATOM 0 H LEU A 306 -33.642 2.198 3.336 1.00 0.00 H new ATOM 0 HA LEU A 306 -35.599 3.272 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -34.174 0.594 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -35.267 1.051 0.422 1.00 0.00 H new ATOM 0 HG LEU A 306 -32.991 1.434 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -33.094 3.829 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -34.665 3.024 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -34.389 4.058 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -31.522 3.050 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -32.742 3.246 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -31.940 1.675 1.918 1.00 0.00 H new ATOM 923 N LYS A 307 -36.596 0.670 3.422 1.00 0.00 N ATOM 924 CA LYS A 307 -37.774 -0.065 3.869 1.00 0.00 C ATOM 925 C LYS A 307 -38.806 0.891 4.455 1.00 0.00 C ATOM 926 O LYS A 307 -39.999 0.786 4.167 1.00 0.00 O ATOM 927 CB LYS A 307 -37.383 -1.116 4.910 1.00 0.00 C ATOM 928 CG LYS A 307 -38.549 -1.961 5.398 1.00 0.00 C ATOM 929 CD LYS A 307 -39.166 -2.770 4.268 1.00 0.00 C ATOM 930 CE LYS A 307 -40.320 -3.626 4.764 1.00 0.00 C ATOM 931 NZ LYS A 307 -39.883 -4.596 5.806 1.00 0.00 N ATOM 0 H LYS A 307 -35.724 0.377 3.863 1.00 0.00 H new ATOM 0 HA LYS A 307 -38.212 -0.569 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -36.625 -1.772 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -36.927 -0.616 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -38.207 -2.635 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -39.308 -1.315 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -39.520 -2.096 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -38.405 -3.408 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -41.100 -2.983 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -40.758 -4.167 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -40.618 -5.321 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -38.997 -5.051 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -39.729 -4.095 6.704 1.00 0.00 H new ATOM 945 N ALA A 308 -38.336 1.828 5.273 1.00 0.00 N ATOM 946 CA ALA A 308 -39.213 2.812 5.893 1.00 0.00 C ATOM 947 C ALA A 308 -39.941 3.623 4.829 1.00 0.00 C ATOM 948 O ALA A 308 -41.144 3.866 4.932 1.00 0.00 O ATOM 949 CB ALA A 308 -38.417 3.729 6.809 1.00 0.00 C ATOM 0 H ALA A 308 -37.351 1.925 5.521 1.00 0.00 H new ATOM 0 HA ALA A 308 -39.956 2.285 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -39.087 4.459 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -37.939 3.138 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -37.654 4.249 6.230 1.00 0.00 H new ATOM 955 N ALA A 309 -39.202 4.033 3.803 1.00 0.00 N ATOM 956 CA ALA A 309 -39.774 4.810 2.710 1.00 0.00 C ATOM 957 C ALA A 309 -40.893 4.034 2.023 1.00 0.00 C ATOM 958 O ALA A 309 -41.939 4.593 1.693 1.00 0.00 O ATOM 959 CB ALA A 309 -38.694 5.183 1.706 1.00 0.00 C ATOM 0 H ALA A 309 -38.205 3.840 3.706 1.00 0.00 H new ATOM 0 HA ALA A 309 -40.198 5.725 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -39.135 5.763 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -37.926 5.778 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -38.245 4.276 1.301 1.00 0.00 H new ATOM 965 N ILE A 310 -40.663 2.741 1.811 1.00 0.00 N ATOM 966 CA ILE A 310 -41.648 1.880 1.165 1.00 0.00 C ATOM 967 C ILE A 310 -42.921 1.777 1.998 1.00 0.00 C ATOM 968 O ILE A 310 -44.028 1.839 1.466 1.00 0.00 O ATOM 969 CB ILE A 310 -41.089 0.462 0.931 1.00 0.00 C ATOM 970 CG1 ILE A 310 -39.826 0.526 0.068 1.00 0.00 C ATOM 971 CG2 ILE A 310 -42.144 -0.422 0.278 1.00 0.00 C ATOM 972 CD1 ILE A 310 -39.161 -0.819 -0.136 1.00 0.00 C ATOM 0 H ILE A 310 -39.801 2.266 2.078 1.00 0.00 H new ATOM 0 HA ILE A 310 -41.881 2.336 0.203 1.00 0.00 H new ATOM 0 HB ILE A 310 -40.825 0.025 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -40.082 0.946 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -39.113 1.207 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -41.735 -1.420 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -43.017 -0.487 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -42.436 0.007 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -38.274 -0.696 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -38.873 -1.233 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -39.857 -1.498 -0.629 1.00 0.00 H new ATOM 984 N GLN A 311 -42.753 1.612 3.307 1.00 0.00 N ATOM 985 CA GLN A 311 -43.887 1.493 4.216 1.00 0.00 C ATOM 986 C GLN A 311 -44.756 2.746 4.173 1.00 0.00 C ATOM 987 O GLN A 311 -45.982 2.660 4.125 1.00 0.00 O ATOM 988 CB GLN A 311 -43.399 1.247 5.645 1.00 0.00 C ATOM 989 CG GLN A 311 -44.526 1.082 6.654 1.00 0.00 C ATOM 990 CD GLN A 311 -44.031 0.853 8.073 1.00 0.00 C ATOM 991 OE1 GLN A 311 -42.714 0.835 8.257 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 -44.828 0.694 8.997 1.00 0.00 N flip ATOM 0 H GLN A 311 -41.841 1.558 3.762 1.00 0.00 H new ATOM 0 HA GLN A 311 -44.490 0.644 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -42.777 0.352 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -42.766 2.080 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -45.155 1.972 6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -45.153 0.242 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -45.831 0.715 8.814 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -44.485 0.542 9.946 1.00 0.00 H new ATOM 1001 N GLU A 312 -44.113 3.909 4.196 1.00 0.00 N ATOM 1002 CA GLU A 312 -44.828 5.181 4.165 1.00 0.00 C ATOM 1003 C GLU A 312 -45.558 5.378 2.841 1.00 0.00 C ATOM 1004 O GLU A 312 -46.679 5.883 2.812 1.00 0.00 O ATOM 1005 CB GLU A 312 -43.861 6.342 4.406 1.00 0.00 C ATOM 1006 CG GLU A 312 -43.178 6.294 5.763 1.00 0.00 C ATOM 1007 CD GLU A 312 -42.252 7.473 5.994 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -42.136 8.325 5.089 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -41.642 7.543 7.082 1.00 0.00 O ATOM 0 H GLU A 312 -43.098 3.997 4.236 1.00 0.00 H new ATOM 0 HA GLU A 312 -45.571 5.162 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -43.100 6.338 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -44.405 7.282 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -43.936 6.274 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -42.609 5.368 5.846 1.00 0.00 H new ATOM 1016 N SER A 313 -44.913 4.988 1.749 1.00 0.00 N ATOM 1017 CA SER A 313 -45.503 5.134 0.422 1.00 0.00 C ATOM 1018 C SER A 313 -46.728 4.241 0.255 1.00 0.00 C ATOM 1019 O SER A 313 -47.783 4.696 -0.188 1.00 0.00 O ATOM 1020 CB SER A 313 -44.471 4.805 -0.657 1.00 0.00 C ATOM 1021 OG SER A 313 -45.024 4.953 -1.954 1.00 0.00 O ATOM 0 H SER A 313 -43.983 4.569 1.754 1.00 0.00 H new ATOM 0 HA SER A 313 -45.821 6.171 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 313 -43.607 5.460 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 313 -44.115 3.783 -0.525 1.00 0.00 H new ATOM 0 HG SER A 313 -44.344 4.738 -2.626 1.00 0.00 H new ATOM 1027 N LEU A 314 -46.581 2.968 0.605 1.00 0.00 N ATOM 1028 CA LEU A 314 -47.675 2.012 0.486 1.00 0.00 C ATOM 1029 C LEU A 314 -48.823 2.366 1.427 1.00 0.00 C ATOM 1030 O LEU A 314 -49.990 2.334 1.037 1.00 0.00 O ATOM 1031 CB LEU A 314 -47.176 0.595 0.780 1.00 0.00 C ATOM 1032 CG LEU A 314 -46.098 0.073 -0.172 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -45.645 -1.316 0.249 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -46.611 0.055 -1.606 1.00 0.00 C ATOM 0 H LEU A 314 -45.715 2.574 0.973 1.00 0.00 H new ATOM 0 HA LEU A 314 -48.048 2.056 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -46.784 0.569 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -48.026 -0.086 0.749 1.00 0.00 H new ATOM 0 HG LEU A 314 -45.242 0.746 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -44.878 -1.673 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -45.236 -1.275 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -46.495 -1.998 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -45.830 -0.319 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -47.484 -0.594 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -46.887 1.066 -1.906 1.00 0.00 H new ATOM 1046 N ARG A 315 -48.483 2.699 2.668 1.00 0.00 N ATOM 1047 CA ARG A 315 -49.486 3.055 3.668 1.00 0.00 C ATOM 1048 C ARG A 315 -50.259 4.302 3.249 1.00 0.00 C ATOM 1049 O ARG A 315 -51.484 4.348 3.353 1.00 0.00 O ATOM 1050 CB ARG A 315 -48.821 3.286 5.028 1.00 0.00 C ATOM 1051 CG ARG A 315 -49.800 3.635 6.138 1.00 0.00 C ATOM 1052 CD ARG A 315 -50.801 2.514 6.376 1.00 0.00 C ATOM 1053 NE ARG A 315 -50.142 1.255 6.714 1.00 0.00 N ATOM 1054 CZ ARG A 315 -50.795 0.127 6.978 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -52.121 0.101 6.951 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -50.122 -0.978 7.269 1.00 0.00 N ATOM 0 H ARG A 315 -47.521 2.730 3.006 1.00 0.00 H new ATOM 0 HA ARG A 315 -50.189 2.226 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -48.271 2.388 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -48.091 4.090 4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -49.251 3.835 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -50.333 4.550 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -51.477 2.797 7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -51.410 2.376 5.483 1.00 0.00 H new ATOM 0 HE ARG A 315 -49.123 1.240 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -52.643 0.948 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -52.618 -0.766 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -49.102 -0.963 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -50.624 -1.843 7.471 1.00 0.00 H new ATOM 1070 N GLU A 316 -49.533 5.313 2.780 1.00 0.00 N ATOM 1071 CA GLU A 316 -50.148 6.564 2.349 1.00 0.00 C ATOM 1072 C GLU A 316 -51.096 6.333 1.177 1.00 0.00 C ATOM 1073 O GLU A 316 -52.190 6.896 1.131 1.00 0.00 O ATOM 1074 CB GLU A 316 -49.069 7.577 1.957 1.00 0.00 C ATOM 1075 CG GLU A 316 -49.624 8.922 1.517 1.00 0.00 C ATOM 1076 CD GLU A 316 -48.536 9.910 1.145 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -47.698 10.226 2.016 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -48.521 10.367 -0.017 1.00 0.00 O ATOM 0 H GLU A 316 -48.517 5.290 2.689 1.00 0.00 H new ATOM 0 HA GLU A 316 -50.726 6.961 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -48.401 7.729 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -48.468 7.160 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -50.284 8.776 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -50.230 9.341 2.320 1.00 0.00 H new ATOM 1085 N ALA A 317 -50.666 5.506 0.230 1.00 0.00 N ATOM 1086 CA ALA A 317 -51.472 5.203 -0.947 1.00 0.00 C ATOM 1087 C ALA A 317 -52.764 4.485 -0.570 1.00 0.00 C ATOM 1088 O ALA A 317 -53.836 4.808 -1.083 1.00 0.00 O ATOM 1089 CB ALA A 317 -50.669 4.364 -1.930 1.00 0.00 C ATOM 0 H ALA A 317 -49.763 5.033 0.255 1.00 0.00 H new ATOM 0 HA ALA A 317 -51.743 6.147 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -51.281 4.144 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -49.781 4.915 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -50.370 3.431 -1.452 1.00 0.00 H new ATOM 1095 N GLU A 318 -52.655 3.506 0.323 1.00 0.00 N ATOM 1096 CA GLU A 318 -53.815 2.735 0.762 1.00 0.00 C ATOM 1097 C GLU A 318 -54.829 3.619 1.484 1.00 0.00 C ATOM 1098 O GLU A 318 -56.024 3.567 1.196 1.00 0.00 O ATOM 1099 CB GLU A 318 -53.374 1.591 1.677 1.00 0.00 C ATOM 1100 CG GLU A 318 -54.522 0.716 2.157 1.00 0.00 C ATOM 1101 CD GLU A 318 -54.059 -0.412 3.057 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -53.461 -0.121 4.114 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -54.294 -1.588 2.705 1.00 0.00 O ATOM 0 H GLU A 318 -51.775 3.227 0.757 1.00 0.00 H new ATOM 0 HA GLU A 318 -54.296 2.322 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -52.653 0.970 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -52.859 2.008 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -55.243 1.332 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -55.040 0.298 1.294 1.00 0.00 H new ATOM 1110 N GLU A 319 -54.347 4.424 2.427 1.00 0.00 N ATOM 1111 CA GLU A 319 -55.215 5.314 3.194 1.00 0.00 C ATOM 1112 C GLU A 319 -55.918 6.316 2.282 1.00 0.00 C ATOM 1113 O GLU A 319 -57.127 6.529 2.390 1.00 0.00 O ATOM 1114 CB GLU A 319 -54.404 6.057 4.258 1.00 0.00 C ATOM 1115 CG GLU A 319 -55.235 7.002 5.112 1.00 0.00 C ATOM 1116 CD GLU A 319 -54.408 7.723 6.161 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -53.184 7.481 6.224 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -54.986 8.529 6.920 1.00 0.00 O ATOM 0 H GLU A 319 -53.360 4.479 2.679 1.00 0.00 H new ATOM 0 HA GLU A 319 -55.975 4.704 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -53.918 5.328 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -53.613 6.625 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -55.719 7.737 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -56.028 6.439 5.604 1.00 0.00 H new ATOM 1125 N ALA A 320 -55.151 6.930 1.387 1.00 0.00 N ATOM 1126 CA ALA A 320 -55.693 7.913 0.456 1.00 0.00 C ATOM 1127 C ALA A 320 -56.783 7.304 -0.419 1.00 0.00 C ATOM 1128 O ALA A 320 -57.813 7.929 -0.668 1.00 0.00 O ATOM 1129 CB ALA A 320 -54.581 8.490 -0.407 1.00 0.00 C ATOM 0 H ALA A 320 -54.150 6.764 1.287 1.00 0.00 H new ATOM 0 HA ALA A 320 -56.142 8.717 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -54.999 9.222 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -53.840 8.973 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -54.106 7.688 -0.972 1.00 0.00 H new ATOM 1135 N LYS A 321 -56.546 6.082 -0.887 1.00 0.00 N ATOM 1136 CA LYS A 321 -57.507 5.390 -1.739 1.00 0.00 C ATOM 1137 C LYS A 321 -58.801 5.100 -0.984 1.00 0.00 C ATOM 1138 O LYS A 321 -59.895 5.283 -1.519 1.00 0.00 O ATOM 1139 CB LYS A 321 -56.907 4.086 -2.269 1.00 0.00 C ATOM 1140 CG LYS A 321 -57.840 3.318 -3.191 1.00 0.00 C ATOM 1141 CD LYS A 321 -57.195 2.038 -3.697 1.00 0.00 C ATOM 1142 CE LYS A 321 -58.138 1.259 -4.599 1.00 0.00 C ATOM 1143 NZ LYS A 321 -59.396 0.884 -3.897 1.00 0.00 N ATOM 0 H LYS A 321 -55.697 5.551 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 321 -57.740 6.042 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -55.985 4.311 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -56.639 3.450 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -58.761 3.077 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -58.115 3.947 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -56.284 2.280 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -56.903 1.417 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -58.377 1.858 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -57.638 0.358 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -59.893 0.152 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -59.169 0.516 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -60.005 1.722 -3.806 1.00 0.00 H new ATOM 1157 N LEU A 322 -58.670 4.641 0.257 1.00 0.00 N ATOM 1158 CA LEU A 322 -59.832 4.322 1.080 1.00 0.00 C ATOM 1159 C LEU A 322 -60.725 5.544 1.277 1.00 0.00 C ATOM 1160 O LEU A 322 -61.942 5.465 1.106 1.00 0.00 O ATOM 1161 CB LEU A 322 -59.392 3.774 2.436 1.00 0.00 C ATOM 1162 CG LEU A 322 -58.675 2.423 2.395 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -58.233 2.011 3.790 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -59.577 1.358 1.788 1.00 0.00 C ATOM 0 H LEU A 322 -57.772 4.482 0.714 1.00 0.00 H new ATOM 0 HA LEU A 322 -60.409 3.559 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -58.732 4.503 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -60.271 3.681 3.074 1.00 0.00 H new ATOM 0 HG LEU A 322 -57.789 2.524 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -57.725 1.048 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -57.552 2.761 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -59.105 1.929 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -59.050 0.404 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -60.481 1.260 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -59.847 1.646 0.772 1.00 0.00 H new