USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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= -0.0461 (180deg=-0.316) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 311 GLN :FLIP amide:sc= -0.385 F(o=-2.6!,f=-0.39) USER MOD Single : A 313 SER OG : rot -29:sc= 0.899 USER MOD Single : A 321 LYS NZ :NH3+ -169:sc= -0.0343 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 50.919 10.923 -2.007 1.00 0.00 N ATOM 156 CA GLU A 259 49.694 10.518 -2.690 1.00 0.00 C ATOM 157 C GLU A 259 49.517 9.002 -2.667 1.00 0.00 C ATOM 158 O GLU A 259 48.402 8.503 -2.526 1.00 0.00 O ATOM 159 CB GLU A 259 49.708 11.019 -4.136 1.00 0.00 C ATOM 160 CG GLU A 259 48.443 10.687 -4.916 1.00 0.00 C ATOM 161 CD GLU A 259 47.210 11.371 -4.356 1.00 0.00 C ATOM 162 OE1 GLU A 259 46.855 11.102 -3.189 1.00 0.00 O ATOM 163 OE2 GLU A 259 46.597 12.178 -5.087 1.00 0.00 O ATOM 0 HA GLU A 259 48.853 10.964 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 259 49.849 12.100 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 259 50.565 10.586 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 259 48.575 10.982 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 259 48.289 9.608 -4.908 1.00 0.00 H new ATOM 170 N GLU A 260 50.623 8.277 -2.815 1.00 0.00 N ATOM 171 CA GLU A 260 50.590 6.817 -2.819 1.00 0.00 C ATOM 172 C GLU A 260 49.863 6.274 -1.592 1.00 0.00 C ATOM 173 O GLU A 260 49.077 5.332 -1.692 1.00 0.00 O ATOM 174 CB GLU A 260 52.013 6.255 -2.871 1.00 0.00 C ATOM 175 CG GLU A 260 52.779 6.639 -4.129 1.00 0.00 C ATOM 176 CD GLU A 260 52.182 6.044 -5.392 1.00 0.00 C ATOM 177 OE1 GLU A 260 51.195 5.286 -5.287 1.00 0.00 O ATOM 178 OE2 GLU A 260 52.709 6.333 -6.487 1.00 0.00 O ATOM 0 H GLU A 260 51.554 8.677 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 260 50.043 6.499 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 260 52.565 6.607 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 260 51.967 5.168 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 260 52.797 7.725 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 260 53.814 6.310 -4.033 1.00 0.00 H new ATOM 185 N GLU A 261 50.135 6.869 -0.435 1.00 0.00 N ATOM 186 CA GLU A 261 49.509 6.442 0.812 1.00 0.00 C ATOM 187 C GLU A 261 47.996 6.637 0.767 1.00 0.00 C ATOM 188 O GLU A 261 47.236 5.763 1.184 1.00 0.00 O ATOM 189 CB GLU A 261 50.101 7.216 1.993 1.00 0.00 C ATOM 190 CG GLU A 261 49.471 6.866 3.332 1.00 0.00 C ATOM 191 CD GLU A 261 49.620 5.398 3.682 1.00 0.00 C ATOM 192 OE1 GLU A 261 50.772 4.926 3.782 1.00 0.00 O ATOM 193 OE2 GLU A 261 48.585 4.721 3.856 1.00 0.00 O ATOM 0 H GLU A 261 50.785 7.649 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 261 49.711 5.379 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 261 51.172 7.021 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 261 49.980 8.284 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 261 49.930 7.470 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 261 48.412 7.125 3.310 1.00 0.00 H new ATOM 200 N LEU A 262 47.566 7.792 0.267 1.00 0.00 N ATOM 201 CA LEU A 262 46.143 8.107 0.177 1.00 0.00 C ATOM 202 C LEU A 262 45.421 7.162 -0.781 1.00 0.00 C ATOM 203 O LEU A 262 44.338 6.663 -0.473 1.00 0.00 O ATOM 204 CB LEU A 262 45.950 9.556 -0.277 1.00 0.00 C ATOM 205 CG LEU A 262 46.594 10.613 0.625 1.00 0.00 C ATOM 206 CD1 LEU A 262 46.371 12.006 0.057 1.00 0.00 C ATOM 207 CD2 LEU A 262 46.039 10.521 2.040 1.00 0.00 C ATOM 0 H LEU A 262 48.183 8.526 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 262 45.711 7.978 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 262 46.357 9.662 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 262 44.881 9.760 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 262 47.667 10.423 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 262 46.835 12.744 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 262 46.816 12.070 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 262 45.301 12.204 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 262 46.509 11.280 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 262 44.961 10.684 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 262 46.249 9.533 2.450 1.00 0.00 H new ATOM 219 N ILE A 263 46.022 6.923 -1.943 1.00 0.00 N ATOM 220 CA ILE A 263 45.429 6.042 -2.945 1.00 0.00 C ATOM 221 C ILE A 263 45.256 4.626 -2.402 1.00 0.00 C ATOM 222 O ILE A 263 44.189 4.026 -2.538 1.00 0.00 O ATOM 223 CB ILE A 263 46.284 5.990 -4.227 1.00 0.00 C ATOM 224 CG1 ILE A 263 46.434 7.395 -4.819 1.00 0.00 C ATOM 225 CG2 ILE A 263 45.659 5.043 -5.243 1.00 0.00 C ATOM 226 CD1 ILE A 263 47.326 7.450 -6.042 1.00 0.00 C ATOM 0 H ILE A 263 46.919 7.327 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 263 44.450 6.456 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 263 47.275 5.614 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 263 45.447 7.775 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 263 46.838 8.060 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 263 46.274 5.017 -6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 263 45.597 4.042 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 263 44.658 5.392 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 263 47.384 8.476 -6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 263 48.325 7.101 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 263 46.912 6.812 -6.823 1.00 0.00 H new ATOM 238 N ARG A 264 46.310 4.099 -1.787 1.00 0.00 N ATOM 239 CA ARG A 264 46.275 2.754 -1.223 1.00 0.00 C ATOM 240 C ARG A 264 45.175 2.657 -0.171 1.00 0.00 C ATOM 241 O ARG A 264 44.383 1.714 -0.166 1.00 0.00 O ATOM 242 CB ARG A 264 47.638 2.412 -0.606 1.00 0.00 C ATOM 243 CG ARG A 264 47.853 0.928 -0.331 1.00 0.00 C ATOM 244 CD ARG A 264 46.978 0.416 0.804 1.00 0.00 C ATOM 245 NE ARG A 264 47.189 1.159 2.044 1.00 0.00 N ATOM 246 CZ ARG A 264 48.342 1.184 2.709 1.00 0.00 C ATOM 247 NH1 ARG A 264 49.386 0.494 2.268 1.00 0.00 N ATOM 248 NH2 ARG A 264 48.449 1.899 3.820 1.00 0.00 N ATOM 0 H ARG A 264 47.200 4.583 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 264 46.060 2.039 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 264 48.424 2.762 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 264 47.748 2.961 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 264 47.640 0.359 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 264 48.901 0.755 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 264 45.930 0.489 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 264 47.189 -0.640 0.975 1.00 0.00 H new ATOM 0 HE ARG A 264 46.406 1.691 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 264 49.308 -0.060 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 264 50.267 0.517 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 264 47.649 2.429 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 264 49.332 1.919 4.331 1.00 0.00 H new ATOM 262 N LYS A 265 45.137 3.644 0.716 1.00 0.00 N ATOM 263 CA LYS A 265 44.145 3.691 1.781 1.00 0.00 C ATOM 264 C LYS A 265 42.726 3.674 1.219 1.00 0.00 C ATOM 265 O LYS A 265 41.845 3.000 1.753 1.00 0.00 O ATOM 266 CB LYS A 265 44.354 4.949 2.625 1.00 0.00 C ATOM 267 CG LYS A 265 43.382 5.074 3.784 1.00 0.00 C ATOM 268 CD LYS A 265 43.617 6.351 4.573 1.00 0.00 C ATOM 269 CE LYS A 265 42.644 6.477 5.735 1.00 0.00 C ATOM 270 NZ LYS A 265 42.855 7.736 6.501 1.00 0.00 N ATOM 0 H LYS A 265 45.788 4.429 0.717 1.00 0.00 H new ATOM 0 HA LYS A 265 44.272 2.805 2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 265 45.372 4.950 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 265 44.257 5.826 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 265 42.360 5.062 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 265 43.488 4.213 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 265 44.639 6.363 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 265 43.510 7.212 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 265 41.622 6.449 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 265 42.762 5.622 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 42.173 7.784 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 43.822 7.752 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 42.718 8.552 5.872 1.00 0.00 H new ATOM 284 N ALA A 266 42.510 4.427 0.146 1.00 0.00 N ATOM 285 CA ALA A 266 41.196 4.509 -0.484 1.00 0.00 C ATOM 286 C ALA A 266 40.754 3.162 -1.046 1.00 0.00 C ATOM 287 O ALA A 266 39.612 2.746 -0.856 1.00 0.00 O ATOM 288 CB ALA A 266 41.207 5.560 -1.583 1.00 0.00 C ATOM 0 H ALA A 266 43.229 4.991 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 266 40.478 4.798 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 266 40.222 5.613 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 266 41.459 6.531 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 266 41.948 5.291 -2.336 1.00 0.00 H new ATOM 294 N ILE A 267 41.661 2.488 -1.747 1.00 0.00 N ATOM 295 CA ILE A 267 41.358 1.191 -2.345 1.00 0.00 C ATOM 296 C ILE A 267 41.002 0.155 -1.281 1.00 0.00 C ATOM 297 O ILE A 267 40.018 -0.572 -1.416 1.00 0.00 O ATOM 298 CB ILE A 267 42.546 0.670 -3.179 1.00 0.00 C ATOM 299 CG1 ILE A 267 42.891 1.665 -4.290 1.00 0.00 C ATOM 300 CG2 ILE A 267 42.223 -0.699 -3.765 1.00 0.00 C ATOM 301 CD1 ILE A 267 44.103 1.269 -5.106 1.00 0.00 C ATOM 0 H ILE A 267 42.611 2.818 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 267 40.498 1.339 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 267 43.413 0.568 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 267 42.033 1.765 -4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 267 43.067 2.645 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 267 43.071 -1.053 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 267 42.021 -1.402 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 267 41.345 -0.622 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 267 44.286 2.021 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 267 44.973 1.197 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 267 43.923 0.304 -5.579 1.00 0.00 H new ATOM 313 N GLU A 268 41.811 0.089 -0.230 1.00 0.00 N ATOM 314 CA GLU A 268 41.588 -0.863 0.853 1.00 0.00 C ATOM 315 C GLU A 268 40.273 -0.586 1.578 1.00 0.00 C ATOM 316 O GLU A 268 39.537 -1.511 1.920 1.00 0.00 O ATOM 317 CB GLU A 268 42.752 -0.816 1.846 1.00 0.00 C ATOM 318 CG GLU A 268 42.612 -1.799 2.997 1.00 0.00 C ATOM 319 CD GLU A 268 43.777 -1.735 3.967 1.00 0.00 C ATOM 320 OE1 GLU A 268 44.695 -0.918 3.742 1.00 0.00 O ATOM 321 OE2 GLU A 268 43.771 -2.503 4.952 1.00 0.00 O ATOM 0 H GLU A 268 42.629 0.685 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 268 41.528 -1.859 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 268 43.681 -1.023 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 268 42.834 0.193 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 268 41.686 -1.594 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 268 42.532 -2.810 2.598 1.00 0.00 H new ATOM 328 N LEU A 269 39.989 0.689 1.821 1.00 0.00 N ATOM 329 CA LEU A 269 38.769 1.085 2.518 1.00 0.00 C ATOM 330 C LEU A 269 37.527 0.730 1.706 1.00 0.00 C ATOM 331 O LEU A 269 36.562 0.183 2.241 1.00 0.00 O ATOM 332 CB LEU A 269 38.802 2.590 2.820 1.00 0.00 C ATOM 333 CG LEU A 269 37.625 3.135 3.639 1.00 0.00 C ATOM 334 CD1 LEU A 269 38.002 4.458 4.287 1.00 0.00 C ATOM 335 CD2 LEU A 269 36.392 3.320 2.765 1.00 0.00 C ATOM 0 H LEU A 269 40.588 1.468 1.545 1.00 0.00 H new ATOM 0 HA LEU A 269 38.719 0.535 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 269 39.726 2.814 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 269 38.842 3.130 1.874 1.00 0.00 H new ATOM 0 HG LEU A 269 37.391 2.409 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 269 37.158 4.834 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 269 38.856 4.309 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 269 38.262 5.181 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 269 35.572 3.707 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 269 36.616 4.024 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 269 36.104 2.361 2.335 1.00 0.00 H new ATOM 347 N SER A 270 37.551 1.052 0.418 1.00 0.00 N ATOM 348 CA SER A 270 36.417 0.775 -0.458 1.00 0.00 C ATOM 349 C SER A 270 36.126 -0.722 -0.535 1.00 0.00 C ATOM 350 O SER A 270 34.979 -1.147 -0.395 1.00 0.00 O ATOM 351 CB SER A 270 36.683 1.325 -1.860 1.00 0.00 C ATOM 352 OG SER A 270 35.591 1.065 -2.726 1.00 0.00 O ATOM 0 H SER A 270 38.341 1.504 -0.043 1.00 0.00 H new ATOM 0 HA SER A 270 35.543 1.271 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 270 36.860 2.399 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 270 37.588 0.873 -2.266 1.00 0.00 H new ATOM 0 HG SER A 270 35.785 1.428 -3.615 1.00 0.00 H new ATOM 358 N LEU A 271 37.168 -1.513 -0.766 1.00 0.00 N ATOM 359 CA LEU A 271 37.023 -2.961 -0.870 1.00 0.00 C ATOM 360 C LEU A 271 36.573 -3.575 0.453 1.00 0.00 C ATOM 361 O LEU A 271 35.759 -4.499 0.472 1.00 0.00 O ATOM 362 CB LEU A 271 38.343 -3.595 -1.315 1.00 0.00 C ATOM 363 CG LEU A 271 38.843 -3.157 -2.694 1.00 0.00 C ATOM 364 CD1 LEU A 271 40.184 -3.804 -3.006 1.00 0.00 C ATOM 365 CD2 LEU A 271 37.822 -3.504 -3.768 1.00 0.00 C ATOM 0 H LEU A 271 38.123 -1.176 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 271 36.254 -3.164 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 271 39.109 -3.358 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 271 38.225 -4.679 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 271 38.977 -2.075 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 271 40.524 -3.481 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 271 40.915 -3.507 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 271 40.075 -4.889 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 271 38.195 -3.185 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 271 37.656 -4.581 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 271 36.882 -2.995 -3.555 1.00 0.00 H new ATOM 377 N LYS A 272 37.115 -3.066 1.555 1.00 0.00 N ATOM 378 CA LYS A 272 36.776 -3.577 2.880 1.00 0.00 C ATOM 379 C LYS A 272 35.277 -3.468 3.151 1.00 0.00 C ATOM 380 O LYS A 272 34.636 -4.448 3.530 1.00 0.00 O ATOM 381 CB LYS A 272 37.558 -2.820 3.956 1.00 0.00 C ATOM 382 CG LYS A 272 37.323 -3.345 5.362 1.00 0.00 C ATOM 383 CD LYS A 272 38.130 -2.568 6.388 1.00 0.00 C ATOM 384 CE LYS A 272 37.939 -3.131 7.787 1.00 0.00 C ATOM 385 NZ LYS A 272 38.391 -4.547 7.880 1.00 0.00 N ATOM 0 H LYS A 272 37.790 -2.301 1.558 1.00 0.00 H new ATOM 0 HA LYS A 272 37.050 -4.631 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 272 38.622 -2.879 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 272 37.282 -1.766 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 272 36.262 -3.277 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 272 37.594 -4.400 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 272 39.187 -2.601 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 272 37.829 -1.520 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 272 38.495 -2.524 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 272 36.887 -3.066 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 38.502 -4.811 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 37.684 -5.167 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 39.302 -4.653 7.390 1.00 0.00 H new ATOM 892 N ASP A 305 -40.921 -10.189 -3.554 1.00 0.00 N ATOM 893 CA ASP A 305 -42.082 -9.665 -2.842 1.00 0.00 C ATOM 894 C ASP A 305 -41.731 -8.375 -2.108 1.00 0.00 C ATOM 895 O ASP A 305 -42.507 -7.418 -2.106 1.00 0.00 O ATOM 896 CB ASP A 305 -42.608 -10.706 -1.852 1.00 0.00 C ATOM 897 CG ASP A 305 -43.862 -10.247 -1.131 1.00 0.00 C ATOM 898 OD1 ASP A 305 -43.794 -9.233 -0.404 1.00 0.00 O ATOM 899 OD2 ASP A 305 -44.913 -10.901 -1.295 1.00 0.00 O ATOM 0 HA ASP A 305 -42.860 -9.444 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -42.819 -11.634 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -41.833 -10.928 -1.119 1.00 0.00 H new ATOM 904 N LEU A 306 -40.555 -8.357 -1.485 1.00 0.00 N ATOM 905 CA LEU A 306 -40.097 -7.185 -0.747 1.00 0.00 C ATOM 906 C LEU A 306 -40.081 -5.956 -1.648 1.00 0.00 C ATOM 907 O LEU A 306 -40.479 -4.867 -1.235 1.00 0.00 O ATOM 908 CB LEU A 306 -38.699 -7.418 -0.161 1.00 0.00 C ATOM 909 CG LEU A 306 -38.606 -8.476 0.947 1.00 0.00 C ATOM 910 CD1 LEU A 306 -39.574 -8.159 2.077 1.00 0.00 C ATOM 911 CD2 LEU A 306 -38.864 -9.871 0.394 1.00 0.00 C ATOM 0 H LEU A 306 -39.903 -9.141 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 306 -40.794 -7.014 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -38.030 -7.708 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -38.329 -6.472 0.234 1.00 0.00 H new ATOM 0 HG LEU A 306 -37.592 -8.454 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -39.491 -8.922 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -39.332 -7.184 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -40.593 -8.144 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -38.792 -10.601 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -39.862 -9.910 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -38.123 -10.102 -0.372 1.00 0.00 H new ATOM 923 N LYS A 307 -39.624 -6.141 -2.884 1.00 0.00 N ATOM 924 CA LYS A 307 -39.562 -5.049 -3.849 1.00 0.00 C ATOM 925 C LYS A 307 -40.942 -4.434 -4.051 1.00 0.00 C ATOM 926 O LYS A 307 -41.090 -3.212 -4.076 1.00 0.00 O ATOM 927 CB LYS A 307 -39.015 -5.552 -5.186 1.00 0.00 C ATOM 928 CG LYS A 307 -37.603 -6.108 -5.097 1.00 0.00 C ATOM 929 CD LYS A 307 -37.113 -6.617 -6.445 1.00 0.00 C ATOM 930 CE LYS A 307 -37.035 -5.500 -7.474 1.00 0.00 C ATOM 931 NZ LYS A 307 -36.571 -5.995 -8.800 1.00 0.00 N ATOM 0 H LYS A 307 -39.291 -7.037 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 307 -38.892 -4.284 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -39.678 -6.327 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -39.029 -4.733 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -36.929 -5.332 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -37.577 -6.920 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -36.130 -7.072 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -37.784 -7.397 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -38.016 -5.038 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -36.355 -4.726 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -36.532 -5.202 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -35.624 -6.413 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -37.233 -6.716 -9.153 1.00 0.00 H new ATOM 945 N ALA A 308 -41.949 -5.291 -4.188 1.00 0.00 N ATOM 946 CA ALA A 308 -43.320 -4.837 -4.382 1.00 0.00 C ATOM 947 C ALA A 308 -43.799 -4.029 -3.182 1.00 0.00 C ATOM 948 O ALA A 308 -44.432 -2.985 -3.338 1.00 0.00 O ATOM 949 CB ALA A 308 -44.240 -6.024 -4.625 1.00 0.00 C ATOM 0 H ALA A 308 -41.840 -6.305 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 308 -43.345 -4.190 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -45.261 -5.670 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -43.914 -6.561 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -44.205 -6.693 -3.765 1.00 0.00 H new ATOM 955 N ALA A 309 -43.490 -4.520 -1.986 1.00 0.00 N ATOM 956 CA ALA A 309 -43.884 -3.844 -0.755 1.00 0.00 C ATOM 957 C ALA A 309 -43.278 -2.446 -0.679 1.00 0.00 C ATOM 958 O ALA A 309 -43.955 -1.484 -0.318 1.00 0.00 O ATOM 959 CB ALA A 309 -43.470 -4.668 0.454 1.00 0.00 C ATOM 0 H ALA A 309 -42.968 -5.384 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 309 -44.969 -3.741 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -43.770 -4.152 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -43.955 -5.643 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -42.388 -4.800 0.451 1.00 0.00 H new ATOM 965 N ILE A 310 -41.997 -2.344 -1.021 1.00 0.00 N ATOM 966 CA ILE A 310 -41.294 -1.066 -0.994 1.00 0.00 C ATOM 967 C ILE A 310 -41.890 -0.091 -2.004 1.00 0.00 C ATOM 968 O ILE A 310 -42.062 1.092 -1.713 1.00 0.00 O ATOM 969 CB ILE A 310 -39.791 -1.247 -1.288 1.00 0.00 C ATOM 970 CG1 ILE A 310 -39.163 -2.197 -0.264 1.00 0.00 C ATOM 971 CG2 ILE A 310 -39.081 0.100 -1.279 1.00 0.00 C ATOM 972 CD1 ILE A 310 -37.702 -2.494 -0.525 1.00 0.00 C ATOM 0 H ILE A 310 -41.424 -3.133 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 310 -41.411 -0.658 0.010 1.00 0.00 H new ATOM 0 HB ILE A 310 -39.678 -1.685 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -39.264 -1.763 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -39.720 -3.134 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -38.021 -0.046 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -39.516 0.746 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -39.197 0.566 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -37.326 -3.173 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -37.594 -2.958 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -37.132 -1.566 -0.498 1.00 0.00 H new ATOM 984 N GLN A 311 -42.202 -0.595 -3.193 1.00 0.00 N ATOM 985 CA GLN A 311 -42.780 0.230 -4.247 1.00 0.00 C ATOM 986 C GLN A 311 -44.127 0.800 -3.812 1.00 0.00 C ATOM 987 O GLN A 311 -44.425 1.970 -4.052 1.00 0.00 O ATOM 988 CB GLN A 311 -42.948 -0.589 -5.529 1.00 0.00 C ATOM 989 CG GLN A 311 -43.512 0.208 -6.697 1.00 0.00 C ATOM 990 CD GLN A 311 -42.569 1.290 -7.200 1.00 0.00 C ATOM 991 OE1 GLN A 311 -41.350 1.325 -6.670 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 -42.932 2.082 -8.071 1.00 0.00 N flip ATOM 0 H GLN A 311 -42.064 -1.572 -3.451 1.00 0.00 H new ATOM 0 HA GLN A 311 -42.100 1.060 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -41.980 -1.001 -5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -43.606 -1.434 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -43.741 -0.474 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -44.452 0.668 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -43.876 2.023 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -42.289 2.797 -8.410 1.00 0.00 H new ATOM 1001 N GLU A 312 -44.938 -0.039 -3.175 1.00 0.00 N ATOM 1002 CA GLU A 312 -46.258 0.372 -2.708 1.00 0.00 C ATOM 1003 C GLU A 312 -46.154 1.399 -1.585 1.00 0.00 C ATOM 1004 O GLU A 312 -46.926 2.356 -1.536 1.00 0.00 O ATOM 1005 CB GLU A 312 -47.055 -0.845 -2.232 1.00 0.00 C ATOM 1006 CG GLU A 312 -48.465 -0.510 -1.773 1.00 0.00 C ATOM 1007 CD GLU A 312 -49.233 -1.734 -1.313 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -48.774 -2.399 -0.361 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -50.294 -2.026 -1.904 1.00 0.00 O ATOM 0 H GLU A 312 -44.703 -1.010 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 312 -46.779 0.837 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -47.109 -1.572 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -46.519 -1.321 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -48.416 0.212 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -49.005 -0.032 -2.590 1.00 0.00 H new ATOM 1016 N SER A 313 -45.205 1.190 -0.680 1.00 0.00 N ATOM 1017 CA SER A 313 -45.013 2.096 0.448 1.00 0.00 C ATOM 1018 C SER A 313 -44.585 3.484 -0.017 1.00 0.00 C ATOM 1019 O SER A 313 -45.131 4.492 0.433 1.00 0.00 O ATOM 1020 CB SER A 313 -43.977 1.528 1.421 1.00 0.00 C ATOM 1021 OG SER A 313 -42.722 1.353 0.788 1.00 0.00 O ATOM 0 H SER A 313 -44.557 0.403 -0.704 1.00 0.00 H new ATOM 0 HA SER A 313 -45.970 2.191 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 313 -43.867 2.200 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 313 -44.327 0.572 1.812 1.00 0.00 H new ATOM 0 HG SER A 313 -42.859 1.178 -0.166 1.00 0.00 H new ATOM 1027 N LEU A 314 -43.606 3.534 -0.913 1.00 0.00 N ATOM 1028 CA LEU A 314 -43.111 4.806 -1.427 1.00 0.00 C ATOM 1029 C LEU A 314 -44.195 5.537 -2.211 1.00 0.00 C ATOM 1030 O LEU A 314 -44.413 6.735 -2.020 1.00 0.00 O ATOM 1031 CB LEU A 314 -41.884 4.580 -2.313 1.00 0.00 C ATOM 1032 CG LEU A 314 -40.694 3.911 -1.620 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -39.557 3.692 -2.605 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -40.220 4.747 -0.440 1.00 0.00 C ATOM 0 H LEU A 314 -43.141 2.712 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 314 -42.826 5.426 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -42.179 3.968 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -41.559 5.542 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 314 -41.019 2.940 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -38.720 3.216 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -39.898 3.051 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -39.236 4.652 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -39.374 4.254 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -39.914 5.732 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -41.032 4.854 0.279 1.00 0.00 H new ATOM 1046 N ARG A 315 -44.874 4.809 -3.092 1.00 0.00 N ATOM 1047 CA ARG A 315 -45.939 5.388 -3.904 1.00 0.00 C ATOM 1048 C ARG A 315 -47.061 5.923 -3.021 1.00 0.00 C ATOM 1049 O ARG A 315 -47.552 7.034 -3.226 1.00 0.00 O ATOM 1050 CB ARG A 315 -46.493 4.341 -4.873 1.00 0.00 C ATOM 1051 CG ARG A 315 -47.607 4.861 -5.769 1.00 0.00 C ATOM 1052 CD ARG A 315 -47.101 5.912 -6.744 1.00 0.00 C ATOM 1053 NE ARG A 315 -48.165 6.406 -7.615 1.00 0.00 N ATOM 1054 CZ ARG A 315 -47.979 7.315 -8.568 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -46.772 7.823 -8.781 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -49.001 7.715 -9.312 1.00 0.00 N ATOM 0 H ARG A 315 -44.706 3.817 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 315 -45.521 6.217 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -45.680 3.972 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -46.866 3.492 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -48.045 4.031 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -48.400 5.287 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -46.671 6.745 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -46.302 5.488 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 315 -49.105 6.032 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -45.982 7.517 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -46.634 8.520 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -49.930 7.326 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -48.858 8.412 -10.043 1.00 0.00 H new ATOM 1070 N GLU A 316 -47.458 5.123 -2.036 1.00 0.00 N ATOM 1071 CA GLU A 316 -48.519 5.508 -1.113 1.00 0.00 C ATOM 1072 C GLU A 316 -48.149 6.789 -0.374 1.00 0.00 C ATOM 1073 O GLU A 316 -48.977 7.685 -0.211 1.00 0.00 O ATOM 1074 CB GLU A 316 -48.782 4.382 -0.111 1.00 0.00 C ATOM 1075 CG GLU A 316 -49.926 4.667 0.850 1.00 0.00 C ATOM 1076 CD GLU A 316 -51.266 4.788 0.150 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -51.425 5.711 -0.677 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -52.157 3.957 0.426 1.00 0.00 O ATOM 0 H GLU A 316 -47.059 4.202 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 316 -49.427 5.689 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -49.000 3.465 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -47.874 4.201 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -49.979 3.869 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -49.719 5.591 1.390 1.00 0.00 H new ATOM 1085 N ALA A 317 -46.897 6.868 0.066 1.00 0.00 N ATOM 1086 CA ALA A 317 -46.412 8.041 0.782 1.00 0.00 C ATOM 1087 C ALA A 317 -46.498 9.284 -0.094 1.00 0.00 C ATOM 1088 O ALA A 317 -46.878 10.358 0.369 1.00 0.00 O ATOM 1089 CB ALA A 317 -44.982 7.819 1.252 1.00 0.00 C ATOM 0 H ALA A 317 -46.201 6.133 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 317 -47.046 8.196 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -44.633 8.703 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -44.948 6.957 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -44.340 7.638 0.390 1.00 0.00 H new ATOM 1095 N GLU A 318 -46.144 9.126 -1.366 1.00 0.00 N ATOM 1096 CA GLU A 318 -46.183 10.231 -2.316 1.00 0.00 C ATOM 1097 C GLU A 318 -47.607 10.751 -2.487 1.00 0.00 C ATOM 1098 O GLU A 318 -47.835 11.960 -2.536 1.00 0.00 O ATOM 1099 CB GLU A 318 -45.624 9.785 -3.670 1.00 0.00 C ATOM 1100 CG GLU A 318 -45.619 10.884 -4.720 1.00 0.00 C ATOM 1101 CD GLU A 318 -44.790 12.085 -4.306 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -43.575 11.916 -4.073 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -45.358 13.193 -4.214 1.00 0.00 O ATOM 0 H GLU A 318 -45.826 8.241 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 318 -45.566 11.039 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -44.605 9.422 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -46.214 8.945 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -45.230 10.484 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -46.644 11.203 -4.911 1.00 0.00 H new ATOM 1110 N GLU A 319 -48.561 9.829 -2.579 1.00 0.00 N ATOM 1111 CA GLU A 319 -49.966 10.191 -2.747 1.00 0.00 C ATOM 1112 C GLU A 319 -50.479 10.974 -1.542 1.00 0.00 C ATOM 1113 O GLU A 319 -51.086 12.035 -1.693 1.00 0.00 O ATOM 1114 CB GLU A 319 -50.816 8.935 -2.950 1.00 0.00 C ATOM 1115 CG GLU A 319 -50.416 8.119 -4.169 1.00 0.00 C ATOM 1116 CD GLU A 319 -51.251 6.863 -4.332 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -52.151 6.633 -3.496 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -51.004 6.108 -5.296 1.00 0.00 O ATOM 0 H GLU A 319 -48.387 8.825 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 319 -50.046 10.826 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -50.739 8.307 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -51.862 9.226 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -50.516 8.735 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -49.365 7.843 -4.088 1.00 0.00 H new ATOM 1125 N ALA A 320 -50.232 10.445 -0.347 1.00 0.00 N ATOM 1126 CA ALA A 320 -50.669 11.093 0.884 1.00 0.00 C ATOM 1127 C ALA A 320 -50.036 12.472 1.033 1.00 0.00 C ATOM 1128 O ALA A 320 -50.702 13.435 1.412 1.00 0.00 O ATOM 1129 CB ALA A 320 -50.334 10.223 2.086 1.00 0.00 C ATOM 0 H ALA A 320 -49.731 9.568 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 320 -51.750 11.222 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -50.666 10.719 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -50.839 9.262 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -49.257 10.064 2.131 1.00 0.00 H new ATOM 1135 N LYS A 321 -48.745 12.557 0.728 1.00 0.00 N ATOM 1136 CA LYS A 321 -48.014 13.814 0.823 1.00 0.00 C ATOM 1137 C LYS A 321 -48.621 14.854 -0.116 1.00 0.00 C ATOM 1138 O LYS A 321 -48.806 16.012 0.261 1.00 0.00 O ATOM 1139 CB LYS A 321 -46.533 13.582 0.491 1.00 0.00 C ATOM 1140 CG LYS A 321 -45.635 14.794 0.712 1.00 0.00 C ATOM 1141 CD LYS A 321 -45.758 15.817 -0.409 1.00 0.00 C ATOM 1142 CE LYS A 321 -45.358 15.227 -1.753 1.00 0.00 C ATOM 1143 NZ LYS A 321 -43.959 14.717 -1.744 1.00 0.00 N ATOM 0 H LYS A 321 -48.183 11.767 0.412 1.00 0.00 H new ATOM 0 HA LYS A 321 -48.088 14.192 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -46.163 12.757 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -46.452 13.272 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -45.892 15.265 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -44.598 14.466 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -46.785 16.179 -0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -45.128 16.678 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -46.038 14.415 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -45.462 15.987 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -43.664 14.497 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -43.328 15.442 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -43.907 13.856 -1.163 1.00 0.00 H new ATOM 1157 N LEU A 322 -48.931 14.429 -1.337 1.00 0.00 N ATOM 1158 CA LEU A 322 -49.521 15.318 -2.332 1.00 0.00 C ATOM 1159 C LEU A 322 -50.844 15.876 -1.819 1.00 0.00 C ATOM 1160 O LEU A 322 -51.107 17.075 -1.926 1.00 0.00 O ATOM 1161 CB LEU A 322 -49.723 14.562 -3.655 1.00 0.00 C ATOM 1162 CG LEU A 322 -50.111 15.417 -4.872 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -51.545 15.916 -4.762 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -49.150 16.587 -5.033 1.00 0.00 C ATOM 0 H LEU A 322 -48.783 13.473 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 322 -48.845 16.154 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -48.801 14.030 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -50.496 13.809 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 322 -50.043 14.786 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -51.789 16.517 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -52.223 15.065 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -51.651 16.524 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -49.441 17.180 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -49.182 17.210 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -48.138 16.209 -5.175 1.00 0.00 H new