USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 132 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 16 GLN : amide:sc= -0.0373 K(o=-0.037,f=-2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -154:sc= -0.178 (180deg=-0.785) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.972 13.419 1.380 1.00 0.00 N ATOM 213 CA GLN A 16 -2.184 12.661 1.050 1.00 0.00 C ATOM 214 C GLN A 16 -1.994 11.895 -0.267 1.00 0.00 C ATOM 215 O GLN A 16 -2.406 10.742 -0.379 1.00 0.00 O ATOM 216 CB GLN A 16 -3.378 13.627 0.962 1.00 0.00 C ATOM 217 CG GLN A 16 -4.739 12.980 0.702 1.00 0.00 C ATOM 218 CD GLN A 16 -5.329 12.332 1.948 1.00 0.00 C ATOM 219 OE1 GLN A 16 -4.725 11.501 2.605 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.542 12.695 2.311 1.00 0.00 N ATOM 0 HA GLN A 16 -2.381 11.929 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.436 14.189 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.181 14.347 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.430 13.735 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.636 12.227 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.051 13.390 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.972 12.281 3.138 1.00 0.00 H new ATOM 229 N MET A 17 -1.341 12.507 -1.264 1.00 0.00 N ATOM 230 CA MET A 17 -1.085 11.885 -2.559 1.00 0.00 C ATOM 231 C MET A 17 -0.106 10.719 -2.418 1.00 0.00 C ATOM 232 O MET A 17 -0.368 9.637 -2.951 1.00 0.00 O ATOM 233 CB MET A 17 -0.563 12.951 -3.532 1.00 0.00 C ATOM 234 CG MET A 17 -1.593 13.304 -4.609 1.00 0.00 C ATOM 235 SD MET A 17 -1.397 12.352 -6.145 1.00 0.00 S ATOM 236 CE MET A 17 -2.565 13.241 -7.200 1.00 0.00 C ATOM 0 H MET A 17 -0.975 13.456 -1.188 1.00 0.00 H new ATOM 0 HA MET A 17 -2.012 11.472 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.299 13.850 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.349 12.591 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.594 13.135 -4.212 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.517 14.367 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.576 12.789 -8.192 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.563 13.186 -6.765 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.261 14.285 -7.280 1.00 0.00 H new ATOM 245 N ALA A 18 0.970 10.899 -1.633 1.00 0.00 N ATOM 246 CA ALA A 18 1.894 9.807 -1.360 1.00 0.00 C ATOM 247 C ALA A 18 1.233 8.689 -0.541 1.00 0.00 C ATOM 248 O ALA A 18 1.645 7.534 -0.638 1.00 0.00 O ATOM 249 CB ALA A 18 3.137 10.370 -0.665 1.00 0.00 C ATOM 0 H ALA A 18 1.212 11.783 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 18 2.193 9.348 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.835 9.560 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.616 11.104 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.846 10.848 0.270 1.00 0.00 H new ATOM 255 N ARG A 19 0.181 9.014 0.219 1.00 0.00 N ATOM 256 CA ARG A 19 -0.592 8.045 1.008 1.00 0.00 C ATOM 257 C ARG A 19 -1.592 7.277 0.161 1.00 0.00 C ATOM 258 O ARG A 19 -1.634 6.061 0.284 1.00 0.00 O ATOM 259 CB ARG A 19 -1.293 8.738 2.179 1.00 0.00 C ATOM 260 CG ARG A 19 -0.699 8.270 3.510 1.00 0.00 C ATOM 261 CD ARG A 19 -1.130 6.837 3.869 1.00 0.00 C ATOM 262 NE ARG A 19 -2.445 6.816 4.523 1.00 0.00 N ATOM 263 CZ ARG A 19 -2.910 5.864 5.329 1.00 0.00 C ATOM 264 NH1 ARG A 19 -2.248 4.748 5.539 1.00 0.00 N ATOM 265 NH2 ARG A 19 -4.061 6.025 5.946 1.00 0.00 N ATOM 0 H ARG A 19 -0.163 9.970 0.305 1.00 0.00 H new ATOM 0 HA ARG A 19 0.116 7.317 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.187 9.819 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.360 8.519 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.389 8.318 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.009 8.950 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.163 6.229 2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.388 6.388 4.529 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.062 7.608 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.351 4.593 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.631 4.037 6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.599 6.881 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.415 5.294 6.563 1.00 0.00 H new ATOM 279 N TYR A 20 -2.353 7.948 -0.711 1.00 0.00 N ATOM 280 CA TYR A 20 -3.299 7.338 -1.640 1.00 0.00 C ATOM 281 C TYR A 20 -2.634 6.222 -2.450 1.00 0.00 C ATOM 282 O TYR A 20 -3.149 5.107 -2.537 1.00 0.00 O ATOM 283 CB TYR A 20 -3.859 8.443 -2.555 1.00 0.00 C ATOM 284 CG TYR A 20 -5.224 8.983 -2.157 1.00 0.00 C ATOM 285 CD1 TYR A 20 -6.333 8.119 -2.085 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.389 10.358 -1.904 1.00 0.00 C ATOM 287 CE1 TYR A 20 -7.599 8.614 -1.714 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.654 10.860 -1.532 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.759 9.988 -1.425 1.00 0.00 C ATOM 290 OH TYR A 20 -8.971 10.476 -1.052 1.00 0.00 O ATOM 0 H TYR A 20 -2.323 8.965 -0.789 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.116 6.876 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.150 9.271 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.922 8.054 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.213 7.071 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.547 11.029 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.445 7.945 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.777 11.914 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.900 11.440 -0.891 1.00 0.00 H new ATOM 300 N TYR A 21 -1.456 6.518 -3.012 1.00 0.00 N ATOM 301 CA TYR A 21 -0.668 5.581 -3.811 1.00 0.00 C ATOM 302 C TYR A 21 -0.032 4.468 -2.961 1.00 0.00 C ATOM 303 O TYR A 21 -0.040 3.301 -3.363 1.00 0.00 O ATOM 304 CB TYR A 21 0.411 6.370 -4.561 1.00 0.00 C ATOM 305 CG TYR A 21 -0.034 7.032 -5.866 1.00 0.00 C ATOM 306 CD1 TYR A 21 -1.187 7.845 -5.926 1.00 0.00 C ATOM 307 CD2 TYR A 21 0.742 6.846 -7.028 1.00 0.00 C ATOM 308 CE1 TYR A 21 -1.562 8.457 -7.138 1.00 0.00 C ATOM 309 CE2 TYR A 21 0.381 7.471 -8.231 1.00 0.00 C ATOM 310 CZ TYR A 21 -0.772 8.282 -8.291 1.00 0.00 C ATOM 311 OH TYR A 21 -1.107 8.916 -9.446 1.00 0.00 O ATOM 0 H TYR A 21 -1.018 7.435 -2.920 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.335 5.083 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.797 7.143 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.239 5.697 -4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.784 7.998 -5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.620 6.218 -6.992 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.456 9.061 -7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.987 7.331 -9.114 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.458 8.689 -10.144 1.00 0.00 H new ATOM 321 N SER A 22 0.490 4.791 -1.768 1.00 0.00 N ATOM 322 CA SER A 22 1.018 3.771 -0.843 1.00 0.00 C ATOM 323 C SER A 22 -0.070 2.822 -0.348 1.00 0.00 C ATOM 324 O SER A 22 0.145 1.606 -0.291 1.00 0.00 O ATOM 325 CB SER A 22 1.708 4.416 0.362 1.00 0.00 C ATOM 326 OG SER A 22 3.111 4.356 0.198 1.00 0.00 O ATOM 0 H SER A 22 0.559 5.747 -1.420 1.00 0.00 H new ATOM 0 HA SER A 22 1.747 3.194 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.388 5.453 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.417 3.901 1.278 1.00 0.00 H new ATOM 0 HG SER A 22 3.549 4.771 0.970 1.00 0.00 H new ATOM 332 N ALA A 23 -1.239 3.377 -0.021 1.00 0.00 N ATOM 333 CA ALA A 23 -2.419 2.624 0.373 1.00 0.00 C ATOM 334 C ALA A 23 -2.902 1.751 -0.782 1.00 0.00 C ATOM 335 O ALA A 23 -3.296 0.632 -0.509 1.00 0.00 O ATOM 336 CB ALA A 23 -3.526 3.567 0.851 1.00 0.00 C ATOM 0 H ALA A 23 -1.389 4.386 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.154 1.971 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.400 2.984 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.171 4.140 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.796 4.249 0.045 1.00 0.00 H new ATOM 342 N LEU A 24 -2.802 2.189 -2.052 1.00 0.00 N ATOM 343 CA LEU A 24 -3.081 1.372 -3.222 1.00 0.00 C ATOM 344 C LEU A 24 -2.133 0.174 -3.270 1.00 0.00 C ATOM 345 O LEU A 24 -2.609 -0.957 -3.341 1.00 0.00 O ATOM 346 CB LEU A 24 -3.010 2.269 -4.475 1.00 0.00 C ATOM 347 CG LEU A 24 -2.759 1.538 -5.801 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.019 0.817 -6.272 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.285 2.509 -6.892 1.00 0.00 C ATOM 0 H LEU A 24 -2.519 3.141 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.085 0.951 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.946 2.822 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.217 3.003 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.974 0.804 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.816 0.307 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.322 0.087 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.820 1.542 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.116 1.961 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.046 3.272 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.356 2.985 -6.577 1.00 0.00 H new ATOM 361 N ARG A 25 -0.809 0.396 -3.212 1.00 0.00 N ATOM 362 CA ARG A 25 0.156 -0.711 -3.269 1.00 0.00 C ATOM 363 C ARG A 25 -0.126 -1.734 -2.174 1.00 0.00 C ATOM 364 O ARG A 25 -0.107 -2.936 -2.434 1.00 0.00 O ATOM 365 CB ARG A 25 1.605 -0.193 -3.180 1.00 0.00 C ATOM 366 CG ARG A 25 2.605 -1.229 -3.713 1.00 0.00 C ATOM 367 CD ARG A 25 2.652 -1.249 -5.255 1.00 0.00 C ATOM 368 NE ARG A 25 3.475 -0.153 -5.797 1.00 0.00 N ATOM 369 CZ ARG A 25 4.805 -0.111 -5.856 1.00 0.00 C ATOM 370 NH1 ARG A 25 5.546 -1.108 -5.419 1.00 0.00 N ATOM 371 NH2 ARG A 25 5.411 0.945 -6.340 1.00 0.00 N ATOM 0 H ARG A 25 -0.388 1.321 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 25 0.039 -1.206 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.698 0.731 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.844 0.046 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.598 -1.007 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.332 -2.218 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.053 -2.205 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.639 -1.171 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 25 2.975 0.656 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.103 -1.938 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.563 -1.051 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.864 1.739 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.430 0.973 -6.383 1.00 0.00 H new ATOM 385 N ARG A 26 -0.438 -1.258 -0.953 1.00 0.00 N ATOM 386 CA ARG A 26 -0.768 -2.115 0.181 1.00 0.00 C ATOM 387 C ARG A 26 -2.114 -2.805 0.023 1.00 0.00 C ATOM 388 O ARG A 26 -2.160 -4.019 0.156 1.00 0.00 O ATOM 389 CB ARG A 26 -0.729 -1.320 1.490 1.00 0.00 C ATOM 390 CG ARG A 26 -0.173 -2.172 2.637 1.00 0.00 C ATOM 391 CD ARG A 26 0.943 -1.434 3.389 1.00 0.00 C ATOM 392 NE ARG A 26 2.282 -1.936 3.030 1.00 0.00 N ATOM 393 CZ ARG A 26 3.016 -1.648 1.972 1.00 0.00 C ATOM 394 NH1 ARG A 26 2.616 -0.812 1.044 1.00 0.00 N ATOM 395 NH2 ARG A 26 4.189 -2.214 1.836 1.00 0.00 N ATOM 0 H ARG A 26 -0.466 -0.262 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.009 -2.897 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.112 -0.431 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.733 -0.977 1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.977 -2.423 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.212 -3.112 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.885 -0.368 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.791 -1.545 4.463 1.00 0.00 H new ATOM 0 HE ARG A 26 2.697 -2.595 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.707 -0.357 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.214 -0.617 0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.525 -2.868 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.767 -2.001 1.023 1.00 0.00 H new ATOM 409 N TYR A 27 -3.179 -2.059 -0.276 1.00 0.00 N ATOM 410 CA TYR A 27 -4.529 -2.547 -0.548 1.00 0.00 C ATOM 411 C TYR A 27 -4.496 -3.613 -1.644 1.00 0.00 C ATOM 412 O TYR A 27 -5.150 -4.629 -1.501 1.00 0.00 O ATOM 413 CB TYR A 27 -5.421 -1.360 -0.948 1.00 0.00 C ATOM 414 CG TYR A 27 -6.850 -1.696 -1.322 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.843 -1.745 -0.327 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.194 -1.905 -2.669 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.180 -2.013 -0.680 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.529 -2.180 -3.022 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.519 -2.235 -2.038 1.00 0.00 C ATOM 420 OH TYR A 27 -10.812 -2.501 -2.369 1.00 0.00 O ATOM 0 H TYR A 27 -3.118 -1.043 -0.338 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.943 -3.010 0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.441 -0.651 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.956 -0.851 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.580 -1.577 0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.433 -1.855 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.945 -2.049 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.788 -2.349 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.882 -2.628 -3.338 1.00 0.00 H new ATOM 430 N ILE A 28 -3.675 -3.468 -2.683 1.00 0.00 N ATOM 431 CA ILE A 28 -3.495 -4.527 -3.673 1.00 0.00 C ATOM 432 C ILE A 28 -2.783 -5.745 -3.074 1.00 0.00 C ATOM 433 O ILE A 28 -3.242 -6.873 -3.271 1.00 0.00 O ATOM 434 CB ILE A 28 -2.787 -3.949 -4.918 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.816 -3.045 -5.633 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.275 -5.064 -5.847 1.00 0.00 C ATOM 437 CD1 ILE A 28 -3.304 -2.416 -6.931 1.00 0.00 C ATOM 0 H ILE A 28 -3.125 -2.628 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.469 -4.898 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.906 -3.377 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.707 -3.632 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.119 -2.250 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.783 -4.619 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.565 -5.690 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.115 -5.674 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.087 -1.797 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.431 -1.799 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.028 -3.203 -7.633 1.00 0.00 H new ATOM 448 N ASN A 29 -1.702 -5.528 -2.313 1.00 0.00 N ATOM 449 CA ASN A 29 -0.984 -6.595 -1.619 1.00 0.00 C ATOM 450 C ASN A 29 -1.903 -7.369 -0.665 1.00 0.00 C ATOM 451 O ASN A 29 -1.835 -8.589 -0.635 1.00 0.00 O ATOM 452 CB ASN A 29 0.234 -6.029 -0.858 1.00 0.00 C ATOM 453 CG ASN A 29 1.532 -6.696 -1.287 1.00 0.00 C ATOM 454 OD1 ASN A 29 2.249 -6.215 -2.141 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.875 -7.821 -0.693 1.00 0.00 N ATOM 0 H ASN A 29 -1.302 -4.601 -2.163 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.628 -7.295 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.303 -4.955 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.090 -6.170 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.744 -8.289 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.272 -8.224 0.024 1.00 0.00 H new ATOM 462 N MET A 30 -2.750 -6.684 0.108 1.00 0.00 N ATOM 463 CA MET A 30 -3.686 -7.285 1.049 1.00 0.00 C ATOM 464 C MET A 30 -4.946 -7.870 0.388 1.00 0.00 C ATOM 465 O MET A 30 -5.512 -8.820 0.910 1.00 0.00 O ATOM 466 CB MET A 30 -4.018 -6.297 2.178 1.00 0.00 C ATOM 467 CG MET A 30 -4.662 -4.997 1.738 1.00 0.00 C ATOM 468 SD MET A 30 -6.085 -4.406 2.678 1.00 0.00 S ATOM 469 CE MET A 30 -7.192 -5.842 2.565 1.00 0.00 C ATOM 0 H MET A 30 -2.801 -5.665 0.092 1.00 0.00 H new ATOM 0 HA MET A 30 -3.184 -8.149 1.485 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.684 -6.791 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.099 -6.063 2.715 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.898 -4.220 1.761 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.970 -5.110 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.226 -5.513 2.666 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.059 -6.329 1.599 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.956 -6.547 3.362 1.00 0.00 H new