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+ 164:sc= 0 (180deg=-0.161) USER MOD Single : A 270 SER OG : rot 73:sc= 0.0123 USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 LYS NZ :NH3+ 136:sc= -5.32! (180deg=-6.39!) USER MOD Single : A 311 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 313 SER OG : rot -26:sc= 0.799 USER MOD Single : A 321 LYS NZ :NH3+ -146:sc= -3.21! (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -50.893 5.552 9.183 1.00 0.00 N ATOM 156 CA GLU A 259 -49.919 4.744 9.907 1.00 0.00 C ATOM 157 C GLU A 259 -49.432 3.589 9.038 1.00 0.00 C ATOM 158 O GLU A 259 -48.232 3.321 8.948 1.00 0.00 O ATOM 159 CB GLU A 259 -50.530 4.206 11.204 1.00 0.00 C ATOM 160 CG GLU A 259 -49.572 3.364 12.034 1.00 0.00 C ATOM 161 CD GLU A 259 -48.371 4.150 12.526 1.00 0.00 C ATOM 162 OE1 GLU A 259 -47.586 4.632 11.683 1.00 0.00 O ATOM 163 OE2 GLU A 259 -48.217 4.285 13.758 1.00 0.00 O ATOM 0 HA GLU A 259 -49.067 5.376 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -50.876 5.046 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -51.407 3.606 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -50.106 2.952 12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -49.228 2.519 11.437 1.00 0.00 H new ATOM 170 N GLU A 260 -50.380 2.910 8.399 1.00 0.00 N ATOM 171 CA GLU A 260 -50.068 1.782 7.531 1.00 0.00 C ATOM 172 C GLU A 260 -49.136 2.207 6.403 1.00 0.00 C ATOM 173 O GLU A 260 -48.235 1.464 6.019 1.00 0.00 O ATOM 174 CB GLU A 260 -51.355 1.188 6.953 1.00 0.00 C ATOM 175 CG GLU A 260 -51.127 -0.029 6.070 1.00 0.00 C ATOM 176 CD GLU A 260 -50.558 -1.214 6.830 1.00 0.00 C ATOM 177 OE1 GLU A 260 -50.378 -1.105 8.061 1.00 0.00 O ATOM 178 OE2 GLU A 260 -50.296 -2.256 6.192 1.00 0.00 O ATOM 0 H GLU A 260 -51.375 3.124 8.467 1.00 0.00 H new ATOM 0 HA GLU A 260 -49.562 1.023 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -52.017 0.911 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -51.870 1.954 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -52.071 -0.319 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -50.447 0.238 5.261 1.00 0.00 H new ATOM 185 N GLU A 261 -49.360 3.407 5.876 1.00 0.00 N ATOM 186 CA GLU A 261 -48.538 3.929 4.791 1.00 0.00 C ATOM 187 C GLU A 261 -47.069 3.983 5.199 1.00 0.00 C ATOM 188 O GLU A 261 -46.184 3.636 4.418 1.00 0.00 O ATOM 189 CB GLU A 261 -49.013 5.326 4.383 1.00 0.00 C ATOM 190 CG GLU A 261 -48.971 6.343 5.514 1.00 0.00 C ATOM 191 CD GLU A 261 -49.376 7.736 5.071 1.00 0.00 C ATOM 192 OE1 GLU A 261 -49.655 7.921 3.868 1.00 0.00 O ATOM 193 OE2 GLU A 261 -49.408 8.644 5.928 1.00 0.00 O ATOM 0 H GLU A 261 -50.103 4.035 6.183 1.00 0.00 H new ATOM 0 HA GLU A 261 -48.639 3.255 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -48.393 5.685 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -50.034 5.257 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -49.633 6.015 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -47.963 6.377 5.928 1.00 0.00 H new ATOM 200 N LEU A 262 -46.820 4.428 6.426 1.00 0.00 N ATOM 201 CA LEU A 262 -45.461 4.541 6.945 1.00 0.00 C ATOM 202 C LEU A 262 -44.822 3.170 7.146 1.00 0.00 C ATOM 203 O LEU A 262 -43.674 2.951 6.759 1.00 0.00 O ATOM 204 CB LEU A 262 -45.462 5.312 8.268 1.00 0.00 C ATOM 205 CG LEU A 262 -45.987 6.748 8.187 1.00 0.00 C ATOM 206 CD1 LEU A 262 -46.014 7.384 9.568 1.00 0.00 C ATOM 207 CD2 LEU A 262 -45.135 7.577 7.236 1.00 0.00 C ATOM 0 H LEU A 262 -47.545 4.718 7.083 1.00 0.00 H new ATOM 0 HA LEU A 262 -44.870 5.085 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -46.066 4.762 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -44.444 5.336 8.657 1.00 0.00 H new ATOM 0 HG LEU A 262 -47.006 6.719 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -46.390 8.404 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -46.666 6.805 10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -45.006 7.399 9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -45.524 8.594 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -44.106 7.597 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -45.165 7.134 6.241 1.00 0.00 H new ATOM 219 N ILE A 263 -45.565 2.254 7.760 1.00 0.00 N ATOM 220 CA ILE A 263 -45.058 0.909 8.019 1.00 0.00 C ATOM 221 C ILE A 263 -44.700 0.189 6.720 1.00 0.00 C ATOM 222 O ILE A 263 -43.599 -0.347 6.579 1.00 0.00 O ATOM 223 CB ILE A 263 -46.086 0.063 8.797 1.00 0.00 C ATOM 224 CG1 ILE A 263 -46.463 0.758 10.108 1.00 0.00 C ATOM 225 CG2 ILE A 263 -45.529 -1.328 9.069 1.00 0.00 C ATOM 226 CD1 ILE A 263 -47.545 0.041 10.889 1.00 0.00 C ATOM 0 H ILE A 263 -46.517 2.417 8.087 1.00 0.00 H new ATOM 0 HA ILE A 263 -44.158 1.023 8.623 1.00 0.00 H new ATOM 0 HB ILE A 263 -46.986 -0.039 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -45.573 0.844 10.732 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -46.797 1.772 9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -46.266 -1.914 9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -45.305 -1.822 8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -44.617 -1.246 9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -47.759 0.592 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -48.449 -0.022 10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -47.207 -0.964 11.141 1.00 0.00 H new ATOM 238 N ARG A 264 -45.637 0.176 5.777 1.00 0.00 N ATOM 239 CA ARG A 264 -45.426 -0.484 4.492 1.00 0.00 C ATOM 240 C ARG A 264 -44.294 0.170 3.707 1.00 0.00 C ATOM 241 O ARG A 264 -43.460 -0.519 3.121 1.00 0.00 O ATOM 242 CB ARG A 264 -46.713 -0.458 3.666 1.00 0.00 C ATOM 243 CG ARG A 264 -47.869 -1.197 4.318 1.00 0.00 C ATOM 244 CD ARG A 264 -49.115 -1.203 3.439 1.00 0.00 C ATOM 245 NE ARG A 264 -48.920 -1.943 2.190 1.00 0.00 N ATOM 246 CZ ARG A 264 -48.349 -1.434 1.099 1.00 0.00 C ATOM 247 NH1 ARG A 264 -47.986 -0.158 1.064 1.00 0.00 N ATOM 248 NH2 ARG A 264 -48.163 -2.198 0.032 1.00 0.00 N ATOM 0 H ARG A 264 -46.552 0.616 5.878 1.00 0.00 H new ATOM 0 HA ARG A 264 -45.145 -1.518 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -47.005 0.578 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -46.516 -0.898 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -47.570 -2.224 4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -48.103 -0.731 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -49.944 -1.644 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -49.397 -0.176 3.208 1.00 0.00 H new ATOM 0 HE ARG A 264 -49.242 -2.910 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -48.144 0.440 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -47.549 0.225 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -48.457 -3.175 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -47.726 -1.809 -0.804 1.00 0.00 H new ATOM 262 N LYS A 265 -44.274 1.499 3.691 1.00 0.00 N ATOM 263 CA LYS A 265 -43.245 2.240 2.968 1.00 0.00 C ATOM 264 C LYS A 265 -41.857 1.858 3.473 1.00 0.00 C ATOM 265 O LYS A 265 -40.935 1.647 2.685 1.00 0.00 O ATOM 266 CB LYS A 265 -43.477 3.748 3.123 1.00 0.00 C ATOM 267 CG LYS A 265 -42.777 4.605 2.074 1.00 0.00 C ATOM 268 CD LYS A 265 -41.269 4.641 2.272 1.00 0.00 C ATOM 269 CE LYS A 265 -40.591 5.495 1.213 1.00 0.00 C ATOM 270 NZ LYS A 265 -39.114 5.536 1.395 1.00 0.00 N ATOM 0 H LYS A 265 -44.958 2.085 4.170 1.00 0.00 H new ATOM 0 HA LYS A 265 -43.306 1.983 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -44.548 3.945 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -43.137 4.056 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -43.002 4.216 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -43.171 5.620 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -41.040 5.036 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -40.871 3.627 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -40.824 5.100 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -40.990 6.508 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -38.667 5.889 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -38.879 6.169 2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -38.763 4.579 1.601 1.00 0.00 H new ATOM 284 N ALA A 266 -41.717 1.768 4.792 1.00 0.00 N ATOM 285 CA ALA A 266 -40.442 1.409 5.404 1.00 0.00 C ATOM 286 C ALA A 266 -40.019 -0.002 5.010 1.00 0.00 C ATOM 287 O ALA A 266 -38.875 -0.230 4.614 1.00 0.00 O ATOM 288 CB ALA A 266 -40.532 1.534 6.917 1.00 0.00 C ATOM 0 H ALA A 266 -42.471 1.939 5.458 1.00 0.00 H new ATOM 0 HA ALA A 266 -39.683 2.100 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -39.574 1.263 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -40.778 2.562 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -41.308 0.866 7.292 1.00 0.00 H new ATOM 294 N ILE A 267 -40.949 -0.947 5.120 1.00 0.00 N ATOM 295 CA ILE A 267 -40.670 -2.336 4.772 1.00 0.00 C ATOM 296 C ILE A 267 -40.202 -2.453 3.325 1.00 0.00 C ATOM 297 O ILE A 267 -39.201 -3.108 3.038 1.00 0.00 O ATOM 298 CB ILE A 267 -41.911 -3.228 4.978 1.00 0.00 C ATOM 299 CG1 ILE A 267 -42.364 -3.177 6.441 1.00 0.00 C ATOM 300 CG2 ILE A 267 -41.613 -4.661 4.557 1.00 0.00 C ATOM 301 CD1 ILE A 267 -43.627 -3.965 6.716 1.00 0.00 C ATOM 0 H ILE A 267 -41.900 -0.776 5.447 1.00 0.00 H new ATOM 0 HA ILE A 267 -39.876 -2.678 5.436 1.00 0.00 H new ATOM 0 HB ILE A 267 -42.720 -2.850 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -41.563 -3.560 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -42.526 -2.137 6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -42.500 -5.277 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -41.334 -4.680 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -40.792 -5.053 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -43.885 -3.882 7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -44.442 -3.569 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -43.464 -5.013 6.464 1.00 0.00 H new ATOM 313 N GLU A 268 -40.932 -1.808 2.419 1.00 0.00 N ATOM 314 CA GLU A 268 -40.593 -1.834 1.000 1.00 0.00 C ATOM 315 C GLU A 268 -39.227 -1.203 0.756 1.00 0.00 C ATOM 316 O GLU A 268 -38.448 -1.686 -0.066 1.00 0.00 O ATOM 317 CB GLU A 268 -41.658 -1.098 0.183 1.00 0.00 C ATOM 318 CG GLU A 268 -43.051 -1.697 0.307 1.00 0.00 C ATOM 319 CD GLU A 268 -43.144 -3.102 -0.261 1.00 0.00 C ATOM 320 OE1 GLU A 268 -42.130 -3.601 -0.794 1.00 0.00 O ATOM 321 OE2 GLU A 268 -44.236 -3.702 -0.178 1.00 0.00 O ATOM 0 H GLU A 268 -41.763 -1.260 2.643 1.00 0.00 H new ATOM 0 HA GLU A 268 -40.557 -2.876 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -41.691 -0.056 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -41.364 -1.101 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -43.341 -1.716 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -43.764 -1.054 -0.209 1.00 0.00 H new ATOM 328 N LEU A 269 -38.944 -0.123 1.477 1.00 0.00 N ATOM 329 CA LEU A 269 -37.671 0.573 1.343 1.00 0.00 C ATOM 330 C LEU A 269 -36.513 -0.371 1.645 1.00 0.00 C ATOM 331 O LEU A 269 -35.513 -0.395 0.928 1.00 0.00 O ATOM 332 CB LEU A 269 -37.627 1.780 2.285 1.00 0.00 C ATOM 333 CG LEU A 269 -36.339 2.604 2.235 1.00 0.00 C ATOM 334 CD1 LEU A 269 -36.139 3.204 0.852 1.00 0.00 C ATOM 335 CD2 LEU A 269 -36.367 3.697 3.292 1.00 0.00 C ATOM 0 H LEU A 269 -39.580 0.289 2.160 1.00 0.00 H new ATOM 0 HA LEU A 269 -37.574 0.924 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -38.466 2.434 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -37.774 1.428 3.306 1.00 0.00 H new ATOM 0 HG LEU A 269 -35.499 1.942 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -35.218 3.786 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -36.074 2.404 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -36.982 3.852 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -35.444 4.274 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -37.217 4.356 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -36.461 3.246 4.280 1.00 0.00 H new ATOM 347 N SER A 270 -36.663 -1.150 2.711 1.00 0.00 N ATOM 348 CA SER A 270 -35.637 -2.105 3.114 1.00 0.00 C ATOM 349 C SER A 270 -35.506 -3.234 2.095 1.00 0.00 C ATOM 350 O SER A 270 -34.398 -3.653 1.760 1.00 0.00 O ATOM 351 CB SER A 270 -35.963 -2.684 4.492 1.00 0.00 C ATOM 352 OG SER A 270 -36.023 -1.662 5.472 1.00 0.00 O ATOM 0 H SER A 270 -37.487 -1.139 3.312 1.00 0.00 H new ATOM 0 HA SER A 270 -34.686 -1.575 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 270 -36.916 -3.211 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 270 -35.205 -3.416 4.771 1.00 0.00 H new ATOM 0 HG SER A 270 -36.838 -1.133 5.344 1.00 0.00 H new ATOM 358 N LEU A 271 -36.644 -3.724 1.612 1.00 0.00 N ATOM 359 CA LEU A 271 -36.660 -4.809 0.635 1.00 0.00 C ATOM 360 C LEU A 271 -35.884 -4.434 -0.624 1.00 0.00 C ATOM 361 O LEU A 271 -35.040 -5.198 -1.093 1.00 0.00 O ATOM 362 CB LEU A 271 -38.102 -5.169 0.266 1.00 0.00 C ATOM 363 CG LEU A 271 -38.963 -5.680 1.424 1.00 0.00 C ATOM 364 CD1 LEU A 271 -40.388 -5.932 0.956 1.00 0.00 C ATOM 365 CD2 LEU A 271 -38.366 -6.949 2.016 1.00 0.00 C ATOM 0 H LEU A 271 -37.568 -3.387 1.881 1.00 0.00 H new ATOM 0 HA LEU A 271 -36.176 -5.673 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -38.582 -4.288 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -38.081 -5.930 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 271 -38.983 -4.915 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -40.987 -6.295 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -40.817 -5.004 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -40.383 -6.679 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -38.992 -7.297 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -38.315 -7.720 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -37.363 -6.740 2.388 1.00 0.00 H new ATOM 377 N LYS A 272 -36.178 -3.258 -1.168 1.00 0.00 N ATOM 378 CA LYS A 272 -35.509 -2.786 -2.376 1.00 0.00 C ATOM 379 C LYS A 272 -34.020 -2.567 -2.131 1.00 0.00 C ATOM 380 O LYS A 272 -33.189 -2.988 -2.931 1.00 0.00 O ATOM 381 CB LYS A 272 -36.148 -1.486 -2.866 1.00 0.00 C ATOM 382 CG LYS A 272 -37.615 -1.629 -3.240 1.00 0.00 C ATOM 383 CD LYS A 272 -38.196 -0.318 -3.750 1.00 0.00 C ATOM 384 CE LYS A 272 -37.521 0.133 -5.038 1.00 0.00 C ATOM 385 NZ LYS A 272 -38.078 1.421 -5.536 1.00 0.00 N ATOM 0 H LYS A 272 -36.874 -2.614 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 272 -35.624 -3.554 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -36.053 -0.729 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -35.595 -1.124 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -37.722 -2.397 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -38.181 -1.964 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -39.266 -0.436 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -38.079 0.453 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -36.450 0.243 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -37.645 -0.635 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -37.592 1.693 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -39.095 1.310 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -37.937 2.161 -4.819 1.00 0.00 H new ATOM 892 N ASP A 305 28.755 -0.454 1.089 1.00 0.00 N ATOM 893 CA ASP A 305 29.936 -1.288 0.901 1.00 0.00 C ATOM 894 C ASP A 305 30.906 -0.650 -0.090 1.00 0.00 C ATOM 895 O ASP A 305 32.120 -0.676 0.114 1.00 0.00 O ATOM 896 CB ASP A 305 29.526 -2.680 0.414 1.00 0.00 C ATOM 897 CG ASP A 305 30.706 -3.624 0.280 1.00 0.00 C ATOM 898 OD1 ASP A 305 31.602 -3.345 -0.545 1.00 0.00 O ATOM 899 OD2 ASP A 305 30.734 -4.642 1.002 1.00 0.00 O ATOM 0 HA ASP A 305 30.443 -1.380 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 305 28.803 -3.105 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 305 29.026 -2.590 -0.550 1.00 0.00 H new ATOM 904 N LEU A 306 30.363 -0.085 -1.164 1.00 0.00 N ATOM 905 CA LEU A 306 31.180 0.555 -2.191 1.00 0.00 C ATOM 906 C LEU A 306 32.016 1.688 -1.603 1.00 0.00 C ATOM 907 O LEU A 306 33.203 1.814 -1.905 1.00 0.00 O ATOM 908 CB LEU A 306 30.302 1.094 -3.328 1.00 0.00 C ATOM 909 CG LEU A 306 29.609 0.034 -4.195 1.00 0.00 C ATOM 910 CD1 LEU A 306 30.623 -0.951 -4.757 1.00 0.00 C ATOM 911 CD2 LEU A 306 28.532 -0.695 -3.405 1.00 0.00 C ATOM 0 H LEU A 306 29.360 -0.057 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 306 31.854 -0.202 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 306 29.537 1.740 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 306 30.919 1.718 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 306 29.129 0.544 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 306 30.109 -1.693 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 306 31.349 -0.416 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 306 31.138 -1.450 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 306 28.056 -1.441 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 306 28.983 -1.188 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 306 27.784 0.021 -3.063 1.00 0.00 H new ATOM 923 N LYS A 307 31.391 2.511 -0.767 1.00 0.00 N ATOM 924 CA LYS A 307 32.082 3.633 -0.140 1.00 0.00 C ATOM 925 C LYS A 307 33.276 3.141 0.671 1.00 0.00 C ATOM 926 O LYS A 307 34.359 3.722 0.616 1.00 0.00 O ATOM 927 CB LYS A 307 31.109 4.417 0.752 1.00 0.00 C ATOM 928 CG LYS A 307 31.666 5.730 1.295 1.00 0.00 C ATOM 929 CD LYS A 307 32.633 5.524 2.457 1.00 0.00 C ATOM 930 CE LYS A 307 31.923 5.041 3.716 1.00 0.00 C ATOM 931 NZ LYS A 307 31.357 3.673 3.559 1.00 0.00 N ATOM 0 H LYS A 307 30.408 2.423 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 307 32.453 4.297 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 307 30.204 4.629 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 307 30.817 3.786 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 307 32.177 6.263 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 307 30.841 6.362 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 307 33.394 4.799 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 307 33.149 6.461 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 307 32.624 5.048 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 307 31.122 5.736 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 31.564 3.112 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 30.327 3.736 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 31.784 3.214 2.729 1.00 0.00 H new ATOM 945 N ALA A 308 33.070 2.067 1.425 1.00 0.00 N ATOM 946 CA ALA A 308 34.128 1.496 2.248 1.00 0.00 C ATOM 947 C ALA A 308 35.246 0.913 1.389 1.00 0.00 C ATOM 948 O ALA A 308 36.423 1.019 1.734 1.00 0.00 O ATOM 949 CB ALA A 308 33.560 0.430 3.174 1.00 0.00 C ATOM 0 H ALA A 308 32.179 1.574 1.483 1.00 0.00 H new ATOM 0 HA ALA A 308 34.554 2.298 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 308 34.362 0.012 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 308 32.806 0.876 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 308 33.105 -0.363 2.580 1.00 0.00 H new ATOM 955 N ALA A 309 34.870 0.290 0.276 1.00 0.00 N ATOM 956 CA ALA A 309 35.842 -0.318 -0.627 1.00 0.00 C ATOM 957 C ALA A 309 36.803 0.720 -1.198 1.00 0.00 C ATOM 958 O ALA A 309 38.021 0.567 -1.106 1.00 0.00 O ATOM 959 CB ALA A 309 35.127 -1.050 -1.753 1.00 0.00 C ATOM 0 H ALA A 309 33.899 0.193 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 309 36.430 -1.033 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 309 35.863 -1.499 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 309 34.492 -1.831 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 309 34.513 -0.345 -2.313 1.00 0.00 H new ATOM 965 N ILE A 310 36.251 1.777 -1.788 1.00 0.00 N ATOM 966 CA ILE A 310 37.067 2.836 -2.370 1.00 0.00 C ATOM 967 C ILE A 310 37.884 3.548 -1.297 1.00 0.00 C ATOM 968 O ILE A 310 39.050 3.876 -1.509 1.00 0.00 O ATOM 969 CB ILE A 310 36.206 3.867 -3.133 1.00 0.00 C ATOM 970 CG1 ILE A 310 37.082 4.993 -3.693 1.00 0.00 C ATOM 971 CG2 ILE A 310 35.123 4.433 -2.228 1.00 0.00 C ATOM 972 CD1 ILE A 310 38.127 4.519 -4.680 1.00 0.00 C ATOM 0 H ILE A 310 35.245 1.922 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 310 37.744 2.361 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 310 35.725 3.359 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 310 36.443 5.730 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 310 37.580 5.499 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 310 34.527 5.157 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 310 34.480 3.624 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 310 35.585 4.924 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 310 38.708 5.371 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 310 38.790 3.805 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 310 37.636 4.039 -5.527 1.00 0.00 H new ATOM 984 N GLN A 311 37.267 3.781 -0.145 1.00 0.00 N ATOM 985 CA GLN A 311 37.944 4.450 0.960 1.00 0.00 C ATOM 986 C GLN A 311 39.148 3.636 1.420 1.00 0.00 C ATOM 987 O GLN A 311 40.207 4.187 1.719 1.00 0.00 O ATOM 988 CB GLN A 311 36.978 4.660 2.128 1.00 0.00 C ATOM 989 CG GLN A 311 37.595 5.399 3.304 1.00 0.00 C ATOM 990 CD GLN A 311 36.616 5.600 4.445 1.00 0.00 C ATOM 991 OE1 GLN A 311 35.572 6.230 4.279 1.00 0.00 O ATOM 992 NE2 GLN A 311 36.951 5.065 5.613 1.00 0.00 N ATOM 0 H GLN A 311 36.301 3.517 0.049 1.00 0.00 H new ATOM 0 HA GLN A 311 38.291 5.422 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 311 36.110 5.217 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 311 36.617 3.690 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 311 38.459 4.842 3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 311 37.960 6.370 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 311 37.827 4.550 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 311 36.333 5.169 6.418 1.00 0.00 H new ATOM 1001 N GLU A 312 38.974 2.319 1.473 1.00 0.00 N ATOM 1002 CA GLU A 312 40.041 1.419 1.896 1.00 0.00 C ATOM 1003 C GLU A 312 41.200 1.440 0.905 1.00 0.00 C ATOM 1004 O GLU A 312 42.365 1.494 1.299 1.00 0.00 O ATOM 1005 CB GLU A 312 39.506 -0.008 2.040 1.00 0.00 C ATOM 1006 CG GLU A 312 40.544 -1.008 2.528 1.00 0.00 C ATOM 1007 CD GLU A 312 41.041 -0.706 3.930 1.00 0.00 C ATOM 1008 OE1 GLU A 312 41.627 0.378 4.134 1.00 0.00 O ATOM 1009 OE2 GLU A 312 40.844 -1.555 4.824 1.00 0.00 O ATOM 0 H GLU A 312 38.102 1.851 1.228 1.00 0.00 H new ATOM 0 HA GLU A 312 40.408 1.764 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 312 38.666 -0.003 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 312 39.120 -0.340 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 312 40.114 -2.009 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 312 41.390 -1.011 1.841 1.00 0.00 H new ATOM 1016 N SER A 313 40.871 1.393 -0.381 1.00 0.00 N ATOM 1017 CA SER A 313 41.884 1.403 -1.431 1.00 0.00 C ATOM 1018 C SER A 313 42.699 2.693 -1.389 1.00 0.00 C ATOM 1019 O SER A 313 43.927 2.665 -1.487 1.00 0.00 O ATOM 1020 CB SER A 313 41.233 1.235 -2.805 1.00 0.00 C ATOM 1021 OG SER A 313 40.319 2.284 -3.071 1.00 0.00 O ATOM 0 H SER A 313 39.911 1.348 -0.722 1.00 0.00 H new ATOM 0 HA SER A 313 42.558 0.565 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 313 42.004 1.217 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 313 40.714 0.277 -2.850 1.00 0.00 H new ATOM 0 HG SER A 313 39.977 2.642 -2.225 1.00 0.00 H new ATOM 1027 N LEU A 314 42.011 3.821 -1.238 1.00 0.00 N ATOM 1028 CA LEU A 314 42.677 5.117 -1.179 1.00 0.00 C ATOM 1029 C LEU A 314 43.647 5.168 -0.005 1.00 0.00 C ATOM 1030 O LEU A 314 44.836 5.435 -0.182 1.00 0.00 O ATOM 1031 CB LEU A 314 41.647 6.243 -1.054 1.00 0.00 C ATOM 1032 CG LEU A 314 40.660 6.357 -2.218 1.00 0.00 C ATOM 1033 CD1 LEU A 314 39.646 7.458 -1.950 1.00 0.00 C ATOM 1034 CD2 LEU A 314 41.398 6.620 -3.523 1.00 0.00 C ATOM 0 H LEU A 314 40.995 3.863 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 314 43.238 5.253 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 314 41.082 6.096 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 314 42.178 7.190 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 314 40.127 5.411 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 314 38.952 7.525 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 314 39.094 7.230 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 314 40.165 8.409 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 314 40.679 6.698 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 314 41.958 7.552 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 314 42.086 5.799 -3.724 1.00 0.00 H new ATOM 1046 N ARG A 315 43.134 4.896 1.194 1.00 0.00 N ATOM 1047 CA ARG A 315 43.959 4.899 2.396 1.00 0.00 C ATOM 1048 C ARG A 315 45.173 4.001 2.204 1.00 0.00 C ATOM 1049 O ARG A 315 46.282 4.338 2.616 1.00 0.00 O ATOM 1050 CB ARG A 315 43.148 4.431 3.608 1.00 0.00 C ATOM 1051 CG ARG A 315 41.996 5.356 3.971 1.00 0.00 C ATOM 1052 CD ARG A 315 42.488 6.744 4.351 1.00 0.00 C ATOM 1053 NE ARG A 315 43.437 6.708 5.462 1.00 0.00 N ATOM 1054 CZ ARG A 315 43.134 6.279 6.685 1.00 0.00 C ATOM 1055 NH1 ARG A 315 41.906 5.865 6.964 1.00 0.00 N ATOM 1056 NH2 ARG A 315 44.062 6.270 7.633 1.00 0.00 N ATOM 0 H ARG A 315 42.152 4.671 1.356 1.00 0.00 H new ATOM 0 HA ARG A 315 44.298 5.919 2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 315 42.752 3.436 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 315 43.814 4.341 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 315 41.310 5.431 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 315 41.434 4.929 4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 315 42.961 7.209 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 315 41.636 7.368 4.623 1.00 0.00 H new ATOM 0 HE ARG A 315 44.389 7.031 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 315 41.188 5.874 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 315 41.679 5.537 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 315 45.007 6.592 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 315 43.830 5.941 8.570 1.00 0.00 H new ATOM 1070 N GLU A 316 44.951 2.860 1.560 1.00 0.00 N ATOM 1071 CA GLU A 316 46.022 1.911 1.291 1.00 0.00 C ATOM 1072 C GLU A 316 47.074 2.542 0.387 1.00 0.00 C ATOM 1073 O GLU A 316 48.268 2.283 0.531 1.00 0.00 O ATOM 1074 CB GLU A 316 45.457 0.647 0.639 1.00 0.00 C ATOM 1075 CG GLU A 316 46.507 -0.415 0.351 1.00 0.00 C ATOM 1076 CD GLU A 316 45.921 -1.649 -0.306 1.00 0.00 C ATOM 1077 OE1 GLU A 316 45.343 -1.519 -1.405 1.00 0.00 O ATOM 1078 OE2 GLU A 316 46.041 -2.747 0.278 1.00 0.00 O ATOM 0 H GLU A 316 44.036 2.571 1.214 1.00 0.00 H new ATOM 0 HA GLU A 316 46.491 1.639 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 316 44.694 0.223 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 316 44.964 0.920 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 316 47.277 0.006 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 316 46.995 -0.701 1.283 1.00 0.00 H new ATOM 1085 N ALA A 317 46.616 3.370 -0.550 1.00 0.00 N ATOM 1086 CA ALA A 317 47.511 4.042 -1.485 1.00 0.00 C ATOM 1087 C ALA A 317 48.444 5.014 -0.768 1.00 0.00 C ATOM 1088 O ALA A 317 49.665 4.939 -0.920 1.00 0.00 O ATOM 1089 CB ALA A 317 46.705 4.771 -2.550 1.00 0.00 C ATOM 0 H ALA A 317 45.629 3.591 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 317 48.129 3.281 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 317 47.384 5.269 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 317 46.091 4.054 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 317 46.062 5.512 -2.076 1.00 0.00 H new ATOM 1095 N GLU A 318 47.868 5.927 0.014 1.00 0.00 N ATOM 1096 CA GLU A 318 48.666 6.907 0.748 1.00 0.00 C ATOM 1097 C GLU A 318 49.634 6.223 1.706 1.00 0.00 C ATOM 1098 O GLU A 318 50.801 6.601 1.796 1.00 0.00 O ATOM 1099 CB GLU A 318 47.773 7.881 1.521 1.00 0.00 C ATOM 1100 CG GLU A 318 47.060 8.896 0.640 1.00 0.00 C ATOM 1101 CD GLU A 318 45.957 8.282 -0.195 1.00 0.00 C ATOM 1102 OE1 GLU A 318 44.944 7.848 0.391 1.00 0.00 O ATOM 1103 OE2 GLU A 318 46.105 8.235 -1.434 1.00 0.00 O ATOM 0 H GLU A 318 46.861 6.008 0.154 1.00 0.00 H new ATOM 0 HA GLU A 318 49.241 7.470 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 318 47.029 7.312 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 318 48.381 8.413 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 318 46.639 9.681 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 318 47.787 9.370 -0.020 1.00 0.00 H new ATOM 1110 N GLU A 319 49.141 5.218 2.422 1.00 0.00 N ATOM 1111 CA GLU A 319 49.963 4.482 3.377 1.00 0.00 C ATOM 1112 C GLU A 319 51.096 3.738 2.673 1.00 0.00 C ATOM 1113 O GLU A 319 52.233 3.732 3.147 1.00 0.00 O ATOM 1114 CB GLU A 319 49.101 3.496 4.168 1.00 0.00 C ATOM 1115 CG GLU A 319 49.887 2.665 5.170 1.00 0.00 C ATOM 1116 CD GLU A 319 50.624 3.517 6.185 1.00 0.00 C ATOM 1117 OE1 GLU A 319 49.958 4.280 6.915 1.00 0.00 O ATOM 1118 OE2 GLU A 319 51.868 3.421 6.249 1.00 0.00 O ATOM 0 H GLU A 319 48.176 4.894 2.359 1.00 0.00 H new ATOM 0 HA GLU A 319 50.405 5.203 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 319 48.325 4.049 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 319 48.597 2.827 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 319 49.206 1.993 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 319 50.604 2.041 4.636 1.00 0.00 H new ATOM 1125 N ALA A 320 50.776 3.111 1.544 1.00 0.00 N ATOM 1126 CA ALA A 320 51.766 2.362 0.778 1.00 0.00 C ATOM 1127 C ALA A 320 52.942 3.248 0.386 1.00 0.00 C ATOM 1128 O ALA A 320 54.097 2.915 0.649 1.00 0.00 O ATOM 1129 CB ALA A 320 51.126 1.755 -0.462 1.00 0.00 C ATOM 0 H ALA A 320 49.839 3.107 1.140 1.00 0.00 H new ATOM 0 HA ALA A 320 52.144 1.558 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 320 51.877 1.199 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 320 50.323 1.081 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 320 50.719 2.550 -1.088 1.00 0.00 H new ATOM 1135 N LYS A 321 52.639 4.382 -0.237 1.00 0.00 N ATOM 1136 CA LYS A 321 53.672 5.320 -0.658 1.00 0.00 C ATOM 1137 C LYS A 321 54.347 5.955 0.553 1.00 0.00 C ATOM 1138 O LYS A 321 55.539 6.259 0.526 1.00 0.00 O ATOM 1139 CB LYS A 321 53.075 6.406 -1.555 1.00 0.00 C ATOM 1140 CG LYS A 321 54.105 7.394 -2.081 1.00 0.00 C ATOM 1141 CD LYS A 321 53.471 8.473 -2.950 1.00 0.00 C ATOM 1142 CE LYS A 321 52.637 9.451 -2.131 1.00 0.00 C ATOM 1143 NZ LYS A 321 51.436 8.808 -1.530 1.00 0.00 N ATOM 0 H LYS A 321 51.687 4.673 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 321 54.422 4.769 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 321 52.573 5.933 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 321 52.314 6.950 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 321 54.620 7.861 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 321 54.858 6.859 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 321 54.253 9.018 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 321 52.841 8.005 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 321 53.254 9.875 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 321 52.323 10.278 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 50.654 9.493 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 51.156 7.988 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 51.658 8.493 -0.564 1.00 0.00 H new ATOM 1157 N LEU A 322 53.572 6.153 1.615 1.00 0.00 N ATOM 1158 CA LEU A 322 54.086 6.751 2.841 1.00 0.00 C ATOM 1159 C LEU A 322 55.281 5.960 3.364 1.00 0.00 C ATOM 1160 O LEU A 322 56.315 6.533 3.708 1.00 0.00 O ATOM 1161 CB LEU A 322 52.985 6.798 3.903 1.00 0.00 C ATOM 1162 CG LEU A 322 53.371 7.480 5.217 1.00 0.00 C ATOM 1163 CD1 LEU A 322 53.711 8.944 4.982 1.00 0.00 C ATOM 1164 CD2 LEU A 322 52.247 7.349 6.234 1.00 0.00 C ATOM 0 H LEU A 322 52.583 5.907 1.650 1.00 0.00 H new ATOM 0 HA LEU A 322 54.413 7.767 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 322 52.122 7.315 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 322 52.670 5.778 4.121 1.00 0.00 H new ATOM 0 HG LEU A 322 54.256 6.984 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 322 53.983 9.411 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 322 54.549 9.016 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 322 52.846 9.455 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 322 52.538 7.839 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 322 51.345 7.819 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 322 52.052 6.294 6.426 1.00 0.00 H new