USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 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+ -172:sc= -0.0997 (180deg=-0.219) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ -168:sc= -0.0212 (180deg=-0.249) USER MOD Single : A 307 LYS NZ :NH3+ 166:sc= -0.0321 (180deg=-0.233) USER MOD Single : A 311 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 313 SER OG : rot 74:sc= 0.89 USER MOD Single : A 321 LYS NZ :NH3+ -154:sc= -3.25! (180deg=-4.28!) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 55.445 5.110 -7.504 1.00 0.00 N ATOM 156 CA GLU A 259 54.817 3.813 -7.732 1.00 0.00 C ATOM 157 C GLU A 259 54.600 3.082 -6.410 1.00 0.00 C ATOM 158 O GLU A 259 53.506 2.590 -6.130 1.00 0.00 O ATOM 159 CB GLU A 259 55.679 2.960 -8.665 1.00 0.00 C ATOM 160 CG GLU A 259 55.913 3.588 -10.031 1.00 0.00 C ATOM 161 CD GLU A 259 54.637 3.735 -10.840 1.00 0.00 C ATOM 162 OE1 GLU A 259 53.728 4.465 -10.394 1.00 0.00 O ATOM 163 OE2 GLU A 259 54.548 3.117 -11.922 1.00 0.00 O ATOM 0 HA GLU A 259 53.848 3.981 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 259 56.643 2.779 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 259 55.202 1.989 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 259 56.370 4.569 -9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 259 56.623 2.978 -10.589 1.00 0.00 H new ATOM 170 N GLU A 260 55.653 3.022 -5.599 1.00 0.00 N ATOM 171 CA GLU A 260 55.586 2.360 -4.302 1.00 0.00 C ATOM 172 C GLU A 260 54.530 3.013 -3.420 1.00 0.00 C ATOM 173 O GLU A 260 53.809 2.333 -2.692 1.00 0.00 O ATOM 174 CB GLU A 260 56.949 2.403 -3.610 1.00 0.00 C ATOM 175 CG GLU A 260 58.035 1.648 -4.359 1.00 0.00 C ATOM 176 CD GLU A 260 59.372 1.691 -3.646 1.00 0.00 C ATOM 177 OE1 GLU A 260 59.913 2.801 -3.465 1.00 0.00 O ATOM 178 OE2 GLU A 260 59.877 0.613 -3.267 1.00 0.00 O ATOM 0 H GLU A 260 56.564 3.425 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 260 55.307 1.319 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 260 57.255 3.443 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 260 56.852 1.985 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 260 57.729 0.610 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 260 58.146 2.073 -5.357 1.00 0.00 H new ATOM 185 N GLU A 261 54.443 4.338 -3.497 1.00 0.00 N ATOM 186 CA GLU A 261 53.471 5.087 -2.712 1.00 0.00 C ATOM 187 C GLU A 261 52.056 4.607 -3.019 1.00 0.00 C ATOM 188 O GLU A 261 51.260 4.365 -2.111 1.00 0.00 O ATOM 189 CB GLU A 261 53.594 6.583 -3.008 1.00 0.00 C ATOM 190 CG GLU A 261 52.629 7.446 -2.212 1.00 0.00 C ATOM 191 CD GLU A 261 52.758 8.920 -2.545 1.00 0.00 C ATOM 192 OE1 GLU A 261 53.860 9.477 -2.359 1.00 0.00 O ATOM 193 OE2 GLU A 261 51.756 9.518 -2.993 1.00 0.00 O ATOM 0 H GLU A 261 55.035 4.914 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 261 53.675 4.918 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 261 54.614 6.903 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 261 53.423 6.749 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 261 51.608 7.120 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 261 52.810 7.300 -1.147 1.00 0.00 H new ATOM 200 N LEU A 262 51.755 4.463 -4.307 1.00 0.00 N ATOM 201 CA LEU A 262 50.446 4.004 -4.740 1.00 0.00 C ATOM 202 C LEU A 262 50.176 2.591 -4.237 1.00 0.00 C ATOM 203 O LEU A 262 49.071 2.284 -3.790 1.00 0.00 O ATOM 204 CB LEU A 262 50.355 4.045 -6.265 1.00 0.00 C ATOM 205 CG LEU A 262 50.438 5.441 -6.889 1.00 0.00 C ATOM 206 CD1 LEU A 262 50.378 5.350 -8.405 1.00 0.00 C ATOM 207 CD2 LEU A 262 49.320 6.330 -6.365 1.00 0.00 C ATOM 0 H LEU A 262 52.405 4.659 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 262 49.691 4.668 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 262 51.157 3.433 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 262 49.415 3.585 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 262 51.392 5.887 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 262 50.438 6.351 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 262 51.213 4.750 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 262 49.440 4.883 -8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 262 49.397 7.317 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 262 48.356 5.888 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 262 49.406 6.422 -5.282 1.00 0.00 H new ATOM 219 N ILE A 263 51.192 1.736 -4.311 1.00 0.00 N ATOM 220 CA ILE A 263 51.062 0.356 -3.858 1.00 0.00 C ATOM 221 C ILE A 263 50.717 0.300 -2.373 1.00 0.00 C ATOM 222 O ILE A 263 49.849 -0.466 -1.955 1.00 0.00 O ATOM 223 CB ILE A 263 52.359 -0.442 -4.104 1.00 0.00 C ATOM 224 CG1 ILE A 263 52.723 -0.413 -5.592 1.00 0.00 C ATOM 225 CG2 ILE A 263 52.198 -1.876 -3.615 1.00 0.00 C ATOM 226 CD1 ILE A 263 54.033 -1.101 -5.913 1.00 0.00 C ATOM 0 H ILE A 263 52.113 1.975 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 263 50.254 -0.094 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 263 53.170 0.021 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 263 51.924 -0.888 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 263 52.777 0.624 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 263 53.121 -2.428 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 263 51.979 -1.874 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 263 51.379 -2.354 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 263 54.223 -1.040 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 263 54.843 -0.612 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 263 53.977 -2.148 -5.614 1.00 0.00 H new ATOM 238 N ARG A 264 51.402 1.120 -1.582 1.00 0.00 N ATOM 239 CA ARG A 264 51.174 1.171 -0.142 1.00 0.00 C ATOM 240 C ARG A 264 49.739 1.588 0.165 1.00 0.00 C ATOM 241 O ARG A 264 49.056 0.956 0.973 1.00 0.00 O ATOM 242 CB ARG A 264 52.153 2.149 0.509 1.00 0.00 C ATOM 243 CG ARG A 264 52.037 2.217 2.023 1.00 0.00 C ATOM 244 CD ARG A 264 53.029 3.210 2.610 1.00 0.00 C ATOM 245 NE ARG A 264 54.408 2.888 2.249 1.00 0.00 N ATOM 246 CZ ARG A 264 55.037 1.779 2.632 1.00 0.00 C ATOM 247 NH1 ARG A 264 54.424 0.895 3.409 1.00 0.00 N ATOM 248 NH2 ARG A 264 56.286 1.557 2.242 1.00 0.00 N ATOM 0 H ARG A 264 52.122 1.761 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 264 51.338 0.174 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 264 53.170 1.860 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 264 51.987 3.144 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 264 51.023 2.506 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 264 52.214 1.229 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 264 52.788 4.213 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 264 52.932 3.220 3.696 1.00 0.00 H new ATOM 0 HE ARG A 264 54.919 3.553 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 264 53.466 1.063 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 264 54.911 0.047 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 264 56.763 2.236 1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 264 56.768 0.707 2.535 1.00 0.00 H new ATOM 262 N LYS A 265 49.289 2.655 -0.488 1.00 0.00 N ATOM 263 CA LYS A 265 47.936 3.160 -0.290 1.00 0.00 C ATOM 264 C LYS A 265 46.900 2.118 -0.701 1.00 0.00 C ATOM 265 O LYS A 265 45.896 1.926 -0.017 1.00 0.00 O ATOM 266 CB LYS A 265 47.727 4.447 -1.093 1.00 0.00 C ATOM 267 CG LYS A 265 48.695 5.562 -0.727 1.00 0.00 C ATOM 268 CD LYS A 265 48.542 5.987 0.725 1.00 0.00 C ATOM 269 CE LYS A 265 49.480 7.133 1.070 1.00 0.00 C ATOM 270 NZ LYS A 265 50.908 6.764 0.865 1.00 0.00 N ATOM 0 H LYS A 265 49.843 3.187 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 265 47.807 3.376 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 265 47.830 4.223 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 265 46.707 4.799 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 265 49.718 5.228 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 265 48.524 6.420 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 265 47.511 6.290 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 265 48.747 5.138 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 265 49.237 7.999 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 265 49.327 7.427 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 51.519 7.519 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 51.112 5.875 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 51.092 6.640 -0.151 1.00 0.00 H new ATOM 284 N ALA A 266 47.153 1.451 -1.823 1.00 0.00 N ATOM 285 CA ALA A 266 46.244 0.428 -2.330 1.00 0.00 C ATOM 286 C ALA A 266 46.072 -0.706 -1.325 1.00 0.00 C ATOM 287 O ALA A 266 44.957 -1.167 -1.082 1.00 0.00 O ATOM 288 CB ALA A 266 46.751 -0.113 -3.658 1.00 0.00 C ATOM 0 H ALA A 266 47.981 1.601 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 266 45.268 0.889 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 266 46.065 -0.875 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 266 46.813 0.699 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 266 47.739 -0.551 -3.519 1.00 0.00 H new ATOM 294 N ILE A 267 47.182 -1.152 -0.745 1.00 0.00 N ATOM 295 CA ILE A 267 47.153 -2.232 0.233 1.00 0.00 C ATOM 296 C ILE A 267 46.348 -1.833 1.467 1.00 0.00 C ATOM 297 O ILE A 267 45.513 -2.599 1.950 1.00 0.00 O ATOM 298 CB ILE A 267 48.578 -2.638 0.666 1.00 0.00 C ATOM 299 CG1 ILE A 267 49.387 -3.126 -0.541 1.00 0.00 C ATOM 300 CG2 ILE A 267 48.526 -3.712 1.746 1.00 0.00 C ATOM 301 CD1 ILE A 267 48.796 -4.343 -1.223 1.00 0.00 C ATOM 0 H ILE A 267 48.113 -0.781 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 267 46.674 -3.084 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 267 49.074 -1.760 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 267 49.463 -2.316 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 267 50.401 -3.360 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 267 49.540 -3.984 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 267 47.989 -3.329 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 267 48.011 -4.592 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 267 49.424 -4.628 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 267 48.745 -5.169 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 267 47.793 -4.109 -1.580 1.00 0.00 H new ATOM 313 N GLU A 268 46.605 -0.630 1.972 1.00 0.00 N ATOM 314 CA GLU A 268 45.905 -0.131 3.150 1.00 0.00 C ATOM 315 C GLU A 268 44.400 -0.064 2.906 1.00 0.00 C ATOM 316 O GLU A 268 43.608 -0.511 3.735 1.00 0.00 O ATOM 317 CB GLU A 268 46.435 1.251 3.537 1.00 0.00 C ATOM 318 CG GLU A 268 47.920 1.265 3.868 1.00 0.00 C ATOM 319 CD GLU A 268 48.265 0.409 5.073 1.00 0.00 C ATOM 320 OE1 GLU A 268 48.047 -0.820 5.014 1.00 0.00 O ATOM 321 OE2 GLU A 268 48.755 0.968 6.076 1.00 0.00 O ATOM 0 H GLU A 268 47.292 0.016 1.584 1.00 0.00 H new ATOM 0 HA GLU A 268 46.088 -0.825 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 268 46.248 1.945 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 268 45.876 1.617 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 268 48.483 0.911 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 268 48.236 2.291 4.055 1.00 0.00 H new ATOM 328 N LEU A 269 44.013 0.495 1.764 1.00 0.00 N ATOM 329 CA LEU A 269 42.603 0.617 1.411 1.00 0.00 C ATOM 330 C LEU A 269 41.956 -0.755 1.261 1.00 0.00 C ATOM 331 O LEU A 269 40.829 -0.973 1.708 1.00 0.00 O ATOM 332 CB LEU A 269 42.443 1.416 0.115 1.00 0.00 C ATOM 333 CG LEU A 269 42.949 2.859 0.173 1.00 0.00 C ATOM 334 CD1 LEU A 269 42.771 3.539 -1.175 1.00 0.00 C ATOM 335 CD2 LEU A 269 42.223 3.637 1.262 1.00 0.00 C ATOM 0 H LEU A 269 44.656 0.871 1.067 1.00 0.00 H new ATOM 0 HA LEU A 269 42.100 1.148 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 269 42.972 0.894 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 269 41.388 1.429 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 269 44.012 2.841 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 269 43.136 4.564 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 269 43.335 2.996 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 269 41.714 3.545 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 269 42.596 4.661 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 269 41.154 3.646 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 269 42.399 3.162 2.227 1.00 0.00 H new ATOM 347 N SER A 270 42.676 -1.677 0.628 1.00 0.00 N ATOM 348 CA SER A 270 42.174 -3.031 0.418 1.00 0.00 C ATOM 349 C SER A 270 41.826 -3.691 1.747 1.00 0.00 C ATOM 350 O SER A 270 40.778 -4.323 1.882 1.00 0.00 O ATOM 351 CB SER A 270 43.211 -3.873 -0.329 1.00 0.00 C ATOM 352 OG SER A 270 42.742 -5.193 -0.538 1.00 0.00 O ATOM 0 H SER A 270 43.609 -1.511 0.252 1.00 0.00 H new ATOM 0 HA SER A 270 41.268 -2.968 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 270 43.438 -3.408 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 270 44.140 -3.900 0.240 1.00 0.00 H new ATOM 0 HG SER A 270 43.422 -5.710 -1.018 1.00 0.00 H new ATOM 358 N LEU A 271 42.710 -3.537 2.727 1.00 0.00 N ATOM 359 CA LEU A 271 42.496 -4.113 4.049 1.00 0.00 C ATOM 360 C LEU A 271 41.327 -3.433 4.755 1.00 0.00 C ATOM 361 O LEU A 271 40.495 -4.093 5.379 1.00 0.00 O ATOM 362 CB LEU A 271 43.764 -3.982 4.897 1.00 0.00 C ATOM 363 CG LEU A 271 45.005 -4.673 4.326 1.00 0.00 C ATOM 364 CD1 LEU A 271 46.213 -4.414 5.213 1.00 0.00 C ATOM 365 CD2 LEU A 271 44.764 -6.169 4.177 1.00 0.00 C ATOM 0 H LEU A 271 43.582 -3.017 2.630 1.00 0.00 H new ATOM 0 HA LEU A 271 42.258 -5.169 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 271 43.986 -2.923 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 271 43.563 -4.391 5.887 1.00 0.00 H new ATOM 0 HG LEU A 271 45.206 -4.258 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 271 47.087 -4.912 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 271 46.399 -3.342 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 271 46.020 -4.802 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 271 45.657 -6.643 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 271 44.537 -6.600 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 271 43.925 -6.337 3.502 1.00 0.00 H new ATOM 377 N LYS A 272 41.275 -2.107 4.655 1.00 0.00 N ATOM 378 CA LYS A 272 40.214 -1.328 5.287 1.00 0.00 C ATOM 379 C LYS A 272 38.896 -1.456 4.526 1.00 0.00 C ATOM 380 O LYS A 272 37.954 -0.704 4.778 1.00 0.00 O ATOM 381 CB LYS A 272 40.618 0.145 5.373 1.00 0.00 C ATOM 382 CG LYS A 272 41.912 0.379 6.133 1.00 0.00 C ATOM 383 CD LYS A 272 42.257 1.858 6.203 1.00 0.00 C ATOM 384 CE LYS A 272 43.580 2.088 6.913 1.00 0.00 C ATOM 385 NZ LYS A 272 43.570 1.536 8.295 1.00 0.00 N ATOM 0 H LYS A 272 41.957 -1.549 4.141 1.00 0.00 H new ATOM 0 HA LYS A 272 40.067 -1.725 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 272 40.722 0.544 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 272 39.817 0.705 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 272 41.820 -0.022 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 272 42.724 -0.162 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 272 42.308 2.269 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 272 41.464 2.393 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 272 44.384 1.624 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 272 43.791 3.157 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 44.401 1.885 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 42.704 1.840 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 43.598 0.497 8.254 1.00 0.00 H new ATOM 892 N ASP A 305 -36.228 -5.835 7.155 1.00 0.00 N ATOM 893 CA ASP A 305 -37.378 -5.382 7.930 1.00 0.00 C ATOM 894 C ASP A 305 -37.556 -3.871 7.815 1.00 0.00 C ATOM 895 O ASP A 305 -38.661 -3.384 7.576 1.00 0.00 O ATOM 896 CB ASP A 305 -37.213 -5.772 9.401 1.00 0.00 C ATOM 897 CG ASP A 305 -37.075 -7.270 9.593 1.00 0.00 C ATOM 898 OD1 ASP A 305 -36.124 -7.855 9.033 1.00 0.00 O ATOM 899 OD2 ASP A 305 -37.915 -7.857 10.307 1.00 0.00 O ATOM 0 HA ASP A 305 -38.267 -5.867 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -36.333 -5.274 9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -38.073 -5.414 9.967 1.00 0.00 H new ATOM 904 N LEU A 306 -36.462 -3.135 7.991 1.00 0.00 N ATOM 905 CA LEU A 306 -36.500 -1.678 7.912 1.00 0.00 C ATOM 906 C LEU A 306 -36.945 -1.213 6.529 1.00 0.00 C ATOM 907 O LEU A 306 -37.811 -0.347 6.408 1.00 0.00 O ATOM 908 CB LEU A 306 -35.125 -1.089 8.238 1.00 0.00 C ATOM 909 CG LEU A 306 -34.599 -1.394 9.643 1.00 0.00 C ATOM 910 CD1 LEU A 306 -33.208 -0.807 9.829 1.00 0.00 C ATOM 911 CD2 LEU A 306 -35.550 -0.853 10.702 1.00 0.00 C ATOM 0 H LEU A 306 -35.540 -3.523 8.189 1.00 0.00 H new ATOM 0 HA LEU A 306 -37.225 -1.324 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -34.406 -1.463 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -35.172 -0.007 8.113 1.00 0.00 H new ATOM 0 HG LEU A 306 -34.537 -2.476 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -32.849 -1.033 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -32.529 -1.240 9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -33.248 0.274 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -35.158 -1.080 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -35.645 0.227 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -36.529 -1.318 10.584 1.00 0.00 H new ATOM 923 N LYS A 307 -36.345 -1.788 5.490 1.00 0.00 N ATOM 924 CA LYS A 307 -36.682 -1.423 4.118 1.00 0.00 C ATOM 925 C LYS A 307 -38.158 -1.681 3.835 1.00 0.00 C ATOM 926 O LYS A 307 -38.832 -0.860 3.212 1.00 0.00 O ATOM 927 CB LYS A 307 -35.816 -2.206 3.127 1.00 0.00 C ATOM 928 CG LYS A 307 -36.033 -1.800 1.676 1.00 0.00 C ATOM 929 CD LYS A 307 -35.638 -0.350 1.437 1.00 0.00 C ATOM 930 CE LYS A 307 -35.861 0.059 -0.010 1.00 0.00 C ATOM 931 NZ LYS A 307 -37.292 -0.051 -0.404 1.00 0.00 N ATOM 0 H LYS A 307 -35.625 -2.506 5.572 1.00 0.00 H new ATOM 0 HA LYS A 307 -36.486 -0.358 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -34.766 -2.063 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -36.028 -3.270 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -35.449 -2.449 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -37.081 -1.941 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -36.219 0.299 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -34.589 -0.210 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -35.523 1.085 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -35.255 -0.570 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -37.445 0.452 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -37.544 -1.053 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -37.889 0.372 0.335 1.00 0.00 H new ATOM 945 N ALA A 308 -38.652 -2.825 4.297 1.00 0.00 N ATOM 946 CA ALA A 308 -40.048 -3.192 4.095 1.00 0.00 C ATOM 947 C ALA A 308 -40.981 -2.175 4.744 1.00 0.00 C ATOM 948 O ALA A 308 -41.982 -1.771 4.153 1.00 0.00 O ATOM 949 CB ALA A 308 -40.314 -4.584 4.648 1.00 0.00 C ATOM 0 H ALA A 308 -38.106 -3.514 4.814 1.00 0.00 H new ATOM 0 HA ALA A 308 -40.246 -3.196 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -41.361 -4.844 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -39.679 -5.307 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -40.093 -4.600 5.715 1.00 0.00 H new ATOM 955 N ALA A 309 -40.644 -1.766 5.964 1.00 0.00 N ATOM 956 CA ALA A 309 -41.449 -0.795 6.698 1.00 0.00 C ATOM 957 C ALA A 309 -41.496 0.544 5.971 1.00 0.00 C ATOM 958 O ALA A 309 -42.554 1.165 5.862 1.00 0.00 O ATOM 959 CB ALA A 309 -40.902 -0.614 8.106 1.00 0.00 C ATOM 0 H ALA A 309 -39.818 -2.092 6.465 1.00 0.00 H new ATOM 0 HA ALA A 309 -42.467 -1.179 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -41.512 0.113 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -40.928 -1.568 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -39.874 -0.257 8.054 1.00 0.00 H new ATOM 965 N ILE A 310 -40.344 0.984 5.475 1.00 0.00 N ATOM 966 CA ILE A 310 -40.252 2.251 4.758 1.00 0.00 C ATOM 967 C ILE A 310 -41.100 2.225 3.491 1.00 0.00 C ATOM 968 O ILE A 310 -41.840 3.167 3.210 1.00 0.00 O ATOM 969 CB ILE A 310 -38.792 2.576 4.382 1.00 0.00 C ATOM 970 CG1 ILE A 310 -37.923 2.635 5.641 1.00 0.00 C ATOM 971 CG2 ILE A 310 -38.721 3.891 3.617 1.00 0.00 C ATOM 972 CD1 ILE A 310 -36.452 2.849 5.355 1.00 0.00 C ATOM 0 H ILE A 310 -39.460 0.481 5.557 1.00 0.00 H new ATOM 0 HA ILE A 310 -40.628 3.025 5.427 1.00 0.00 H new ATOM 0 HB ILE A 310 -38.411 1.785 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -38.281 3.441 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -38.044 1.707 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -37.684 4.106 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -39.313 3.814 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -39.115 4.695 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -35.900 2.880 6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -36.078 2.030 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -36.318 3.791 4.824 1.00 0.00 H new ATOM 984 N GLN A 311 -40.987 1.140 2.730 1.00 0.00 N ATOM 985 CA GLN A 311 -41.743 0.991 1.491 1.00 0.00 C ATOM 986 C GLN A 311 -43.243 1.010 1.766 1.00 0.00 C ATOM 987 O GLN A 311 -44.008 1.635 1.034 1.00 0.00 O ATOM 988 CB GLN A 311 -41.357 -0.311 0.783 1.00 0.00 C ATOM 989 CG GLN A 311 -42.060 -0.509 -0.552 1.00 0.00 C ATOM 990 CD GLN A 311 -41.656 -1.794 -1.257 1.00 0.00 C ATOM 991 OE1 GLN A 311 -40.761 -2.563 -0.643 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 -42.144 -2.092 -2.347 1.00 0.00 N flip ATOM 0 H GLN A 311 -40.379 0.351 2.950 1.00 0.00 H new ATOM 0 HA GLN A 311 -41.499 1.832 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -40.279 -0.322 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -41.590 -1.153 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -43.138 -0.514 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -41.839 0.339 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -42.828 -1.475 -2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -41.865 -2.956 -2.812 1.00 0.00 H new ATOM 1001 N GLU A 312 -43.655 0.321 2.825 1.00 0.00 N ATOM 1002 CA GLU A 312 -45.065 0.257 3.198 1.00 0.00 C ATOM 1003 C GLU A 312 -45.592 1.632 3.598 1.00 0.00 C ATOM 1004 O GLU A 312 -46.717 1.998 3.261 1.00 0.00 O ATOM 1005 CB GLU A 312 -45.268 -0.734 4.347 1.00 0.00 C ATOM 1006 CG GLU A 312 -46.715 -0.854 4.799 1.00 0.00 C ATOM 1007 CD GLU A 312 -46.893 -1.848 5.930 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -46.278 -1.648 6.999 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -47.649 -2.825 5.748 1.00 0.00 O ATOM 0 H GLU A 312 -43.032 -0.202 3.441 1.00 0.00 H new ATOM 0 HA GLU A 312 -45.626 -0.085 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -44.911 -1.716 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -44.656 -0.425 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -47.074 0.124 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -47.332 -1.158 3.953 1.00 0.00 H new ATOM 1016 N SER A 313 -44.776 2.383 4.328 1.00 0.00 N ATOM 1017 CA SER A 313 -45.161 3.715 4.787 1.00 0.00 C ATOM 1018 C SER A 313 -45.363 4.673 3.615 1.00 0.00 C ATOM 1019 O SER A 313 -46.393 5.342 3.521 1.00 0.00 O ATOM 1020 CB SER A 313 -44.100 4.273 5.736 1.00 0.00 C ATOM 1021 OG SER A 313 -43.945 3.442 6.873 1.00 0.00 O ATOM 0 H SER A 313 -43.842 2.093 4.616 1.00 0.00 H new ATOM 0 HA SER A 313 -46.109 3.623 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 313 -43.148 4.359 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 313 -44.382 5.277 6.052 1.00 0.00 H new ATOM 0 HG SER A 313 -43.458 2.630 6.621 1.00 0.00 H new ATOM 1027 N LEU A 314 -44.374 4.741 2.729 1.00 0.00 N ATOM 1028 CA LEU A 314 -44.445 5.625 1.569 1.00 0.00 C ATOM 1029 C LEU A 314 -45.537 5.183 0.597 1.00 0.00 C ATOM 1030 O LEU A 314 -46.195 6.014 -0.027 1.00 0.00 O ATOM 1031 CB LEU A 314 -43.081 5.696 0.865 1.00 0.00 C ATOM 1032 CG LEU A 314 -42.487 4.354 0.419 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -43.115 3.887 -0.886 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -40.977 4.464 0.274 1.00 0.00 C ATOM 0 H LEU A 314 -43.514 4.195 2.791 1.00 0.00 H new ATOM 0 HA LEU A 314 -44.705 6.623 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -43.179 6.337 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -42.372 6.180 1.537 1.00 0.00 H new ATOM 0 HG LEU A 314 -42.710 3.612 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -42.676 2.933 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -44.190 3.765 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -42.930 4.627 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -40.571 3.503 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -40.737 5.223 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -40.539 4.745 1.232 1.00 0.00 H new ATOM 1046 N ARG A 315 -45.720 3.873 0.470 1.00 0.00 N ATOM 1047 CA ARG A 315 -46.728 3.322 -0.429 1.00 0.00 C ATOM 1048 C ARG A 315 -48.137 3.624 0.074 1.00 0.00 C ATOM 1049 O ARG A 315 -49.015 4.008 -0.700 1.00 0.00 O ATOM 1050 CB ARG A 315 -46.534 1.811 -0.576 1.00 0.00 C ATOM 1051 CG ARG A 315 -47.530 1.152 -1.517 1.00 0.00 C ATOM 1052 CD ARG A 315 -47.253 -0.337 -1.661 1.00 0.00 C ATOM 1053 NE ARG A 315 -48.213 -0.990 -2.547 1.00 0.00 N ATOM 1054 CZ ARG A 315 -48.172 -2.283 -2.855 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -47.217 -3.057 -2.357 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -49.085 -2.802 -3.663 1.00 0.00 N ATOM 0 H ARG A 315 -45.182 3.172 0.979 1.00 0.00 H new ATOM 0 HA ARG A 315 -46.607 3.794 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -45.524 1.617 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -46.615 1.347 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -48.542 1.301 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -47.480 1.630 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -46.245 -0.482 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -47.287 -0.809 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 315 -48.957 -0.422 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -46.511 -2.661 -1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -47.188 -4.048 -2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -49.820 -2.210 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -49.053 -3.794 -3.899 1.00 0.00 H new ATOM 1070 N GLU A 316 -48.346 3.444 1.373 1.00 0.00 N ATOM 1071 CA GLU A 316 -49.648 3.691 1.985 1.00 0.00 C ATOM 1072 C GLU A 316 -50.027 5.167 1.903 1.00 0.00 C ATOM 1073 O GLU A 316 -51.144 5.508 1.516 1.00 0.00 O ATOM 1074 CB GLU A 316 -49.639 3.236 3.447 1.00 0.00 C ATOM 1075 CG GLU A 316 -50.960 3.461 4.167 1.00 0.00 C ATOM 1076 CD GLU A 316 -52.091 2.619 3.605 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -51.838 1.818 2.680 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -53.231 2.757 4.096 1.00 0.00 O ATOM 0 H GLU A 316 -47.629 3.127 2.025 1.00 0.00 H new ATOM 0 HA GLU A 316 -50.392 3.117 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -49.390 2.176 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -48.850 3.768 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -50.835 3.232 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -51.230 4.515 4.099 1.00 0.00 H new ATOM 1085 N ALA A 317 -49.094 6.037 2.278 1.00 0.00 N ATOM 1086 CA ALA A 317 -49.334 7.476 2.253 1.00 0.00 C ATOM 1087 C ALA A 317 -49.573 7.975 0.833 1.00 0.00 C ATOM 1088 O ALA A 317 -50.529 8.710 0.575 1.00 0.00 O ATOM 1089 CB ALA A 317 -48.165 8.216 2.885 1.00 0.00 C ATOM 0 H ALA A 317 -48.165 5.770 2.603 1.00 0.00 H new ATOM 0 HA ALA A 317 -50.235 7.676 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -48.357 9.289 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -48.046 7.893 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -47.253 7.998 2.330 1.00 0.00 H new ATOM 1095 N GLU A 318 -48.700 7.572 -0.086 1.00 0.00 N ATOM 1096 CA GLU A 318 -48.819 7.979 -1.481 1.00 0.00 C ATOM 1097 C GLU A 318 -50.175 7.574 -2.045 1.00 0.00 C ATOM 1098 O GLU A 318 -50.857 8.373 -2.685 1.00 0.00 O ATOM 1099 CB GLU A 318 -47.698 7.356 -2.316 1.00 0.00 C ATOM 1100 CG GLU A 318 -47.739 7.753 -3.783 1.00 0.00 C ATOM 1101 CD GLU A 318 -46.630 7.109 -4.592 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -46.583 5.862 -4.645 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -45.809 7.851 -5.170 1.00 0.00 O ATOM 0 H GLU A 318 -47.904 6.965 0.111 1.00 0.00 H new ATOM 0 HA GLU A 318 -48.732 9.065 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -46.736 7.650 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -47.760 6.270 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -48.703 7.470 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -47.661 8.837 -3.865 1.00 0.00 H new ATOM 1110 N GLU A 319 -50.560 6.328 -1.794 1.00 0.00 N ATOM 1111 CA GLU A 319 -51.837 5.810 -2.266 1.00 0.00 C ATOM 1112 C GLU A 319 -52.995 6.513 -1.566 1.00 0.00 C ATOM 1113 O GLU A 319 -54.061 6.706 -2.149 1.00 0.00 O ATOM 1114 CB GLU A 319 -51.919 4.300 -2.030 1.00 0.00 C ATOM 1115 CG GLU A 319 -53.235 3.678 -2.474 1.00 0.00 C ATOM 1116 CD GLU A 319 -53.460 3.775 -3.973 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -52.564 4.283 -4.680 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -54.533 3.337 -4.440 1.00 0.00 O ATOM 0 H GLU A 319 -50.004 5.657 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 319 -51.910 6.004 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -51.101 3.814 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -51.773 4.099 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -53.254 2.630 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -54.057 4.172 -1.956 1.00 0.00 H new ATOM 1125 N ALA A 320 -52.780 6.884 -0.308 1.00 0.00 N ATOM 1126 CA ALA A 320 -53.806 7.555 0.480 1.00 0.00 C ATOM 1127 C ALA A 320 -54.232 8.878 -0.151 1.00 0.00 C ATOM 1128 O ALA A 320 -55.421 9.119 -0.356 1.00 0.00 O ATOM 1129 CB ALA A 320 -53.307 7.785 1.899 1.00 0.00 C ATOM 0 H ALA A 320 -51.902 6.731 0.188 1.00 0.00 H new ATOM 0 HA ALA A 320 -54.682 6.907 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -54.081 8.287 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -53.070 6.827 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -52.412 8.406 1.874 1.00 0.00 H new ATOM 1135 N LYS A 321 -53.261 9.738 -0.450 1.00 0.00 N ATOM 1136 CA LYS A 321 -53.557 11.039 -1.046 1.00 0.00 C ATOM 1137 C LYS A 321 -53.957 10.902 -2.513 1.00 0.00 C ATOM 1138 O LYS A 321 -54.918 11.526 -2.965 1.00 0.00 O ATOM 1139 CB LYS A 321 -52.354 11.979 -0.915 1.00 0.00 C ATOM 1140 CG LYS A 321 -51.157 11.585 -1.766 1.00 0.00 C ATOM 1141 CD LYS A 321 -50.030 12.597 -1.635 1.00 0.00 C ATOM 1142 CE LYS A 321 -48.887 12.289 -2.589 1.00 0.00 C ATOM 1143 NZ LYS A 321 -48.286 10.953 -2.325 1.00 0.00 N ATOM 0 H LYS A 321 -52.269 9.560 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 321 -54.400 11.465 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -52.664 12.987 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -52.047 12.013 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -50.801 10.600 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -51.460 11.508 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -50.413 13.597 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -49.659 12.598 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -49.251 12.326 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -48.119 13.057 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -47.297 10.947 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -48.318 10.753 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -48.822 10.224 -2.838 1.00 0.00 H new ATOM 1157 N LEU A 322 -53.208 10.090 -3.252 1.00 0.00 N ATOM 1158 CA LEU A 322 -53.474 9.875 -4.672 1.00 0.00 C ATOM 1159 C LEU A 322 -54.900 9.385 -4.903 1.00 0.00 C ATOM 1160 O LEU A 322 -55.598 9.876 -5.791 1.00 0.00 O ATOM 1161 CB LEU A 322 -52.478 8.866 -5.250 1.00 0.00 C ATOM 1162 CG LEU A 322 -52.650 8.560 -6.739 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -52.455 9.818 -7.573 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -51.677 7.476 -7.173 1.00 0.00 C ATOM 0 H LEU A 322 -52.410 9.568 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 322 -53.357 10.832 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -51.468 9.243 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -52.564 7.934 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 322 -53.666 8.199 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -52.582 9.578 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -53.191 10.566 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -51.452 10.212 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -51.812 7.270 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -50.655 7.812 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -51.865 6.568 -6.600 1.00 0.00 H new