USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=4 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=-0.00342 K(o=-0.0034,f=-0.79) 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=-0.089) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -1.737 13.337 1.485 1.00 0.00 N ATOM 213 CA GLN A 16 -2.849 12.454 1.130 1.00 0.00 C ATOM 214 C GLN A 16 -2.525 11.676 -0.149 1.00 0.00 C ATOM 215 O GLN A 16 -2.850 10.496 -0.241 1.00 0.00 O ATOM 216 CB GLN A 16 -4.148 13.278 0.958 1.00 0.00 C ATOM 217 CG GLN A 16 -5.419 12.567 1.439 1.00 0.00 C ATOM 218 CD GLN A 16 -5.598 12.597 2.962 1.00 0.00 C ATOM 219 OE1 GLN A 16 -5.183 13.511 3.659 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.249 11.596 3.523 1.00 0.00 N ATOM 0 HA GLN A 16 -3.000 11.735 1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.043 14.216 1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.265 13.532 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.286 13.033 0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.394 11.530 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.599 10.829 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.403 11.589 4.531 1.00 0.00 H new ATOM 229 N MET A 17 -1.835 12.301 -1.115 1.00 0.00 N ATOM 230 CA MET A 17 -1.452 11.681 -2.387 1.00 0.00 C ATOM 231 C MET A 17 -0.338 10.638 -2.205 1.00 0.00 C ATOM 232 O MET A 17 -0.425 9.547 -2.772 1.00 0.00 O ATOM 233 CB MET A 17 -1.024 12.783 -3.372 1.00 0.00 C ATOM 234 CG MET A 17 -2.105 13.067 -4.420 1.00 0.00 C ATOM 235 SD MET A 17 -1.951 12.030 -5.904 1.00 0.00 S ATOM 236 CE MET A 17 -3.641 11.395 -6.043 1.00 0.00 C ATOM 0 H MET A 17 -1.523 13.268 -1.030 1.00 0.00 H new ATOM 0 HA MET A 17 -2.313 11.147 -2.789 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.805 13.697 -2.820 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.103 12.484 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.086 12.908 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.054 14.116 -4.711 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.713 10.738 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.895 10.836 -5.142 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.334 12.228 -6.161 1.00 0.00 H new ATOM 245 N ALA A 18 0.664 10.934 -1.364 1.00 0.00 N ATOM 246 CA ALA A 18 1.699 9.957 -1.040 1.00 0.00 C ATOM 247 C ALA A 18 1.119 8.776 -0.259 1.00 0.00 C ATOM 248 O ALA A 18 1.571 7.637 -0.431 1.00 0.00 O ATOM 249 CB ALA A 18 2.821 10.643 -0.255 1.00 0.00 C ATOM 0 H ALA A 18 0.774 11.837 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 18 2.110 9.557 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.594 9.914 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.252 11.442 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.417 11.063 0.666 1.00 0.00 H new ATOM 255 N ARG A 19 0.084 9.031 0.552 1.00 0.00 N ATOM 256 CA ARG A 19 -0.641 7.971 1.251 1.00 0.00 C ATOM 257 C ARG A 19 -1.535 7.186 0.298 1.00 0.00 C ATOM 258 O ARG A 19 -1.589 5.974 0.433 1.00 0.00 O ATOM 259 CB ARG A 19 -1.449 8.531 2.431 1.00 0.00 C ATOM 260 CG ARG A 19 -1.008 7.924 3.772 1.00 0.00 C ATOM 261 CD ARG A 19 0.289 8.560 4.300 1.00 0.00 C ATOM 262 NE ARG A 19 0.190 8.868 5.737 1.00 0.00 N ATOM 263 CZ ARG A 19 -0.409 9.928 6.279 1.00 0.00 C ATOM 264 NH1 ARG A 19 -0.925 10.899 5.557 1.00 0.00 N ATOM 265 NH2 ARG A 19 -0.507 10.032 7.587 1.00 0.00 N ATOM 0 H ARG A 19 -0.269 9.970 0.739 1.00 0.00 H new ATOM 0 HA ARG A 19 0.100 7.280 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.333 9.614 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.508 8.329 2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.801 8.057 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.861 6.851 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.125 7.882 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.501 9.473 3.744 1.00 0.00 H new ATOM 0 HE ARG A 19 0.622 8.205 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.876 10.859 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.374 11.692 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.124 9.301 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.966 10.844 8.001 1.00 0.00 H new ATOM 279 N TYR A 20 -2.186 7.833 -0.670 1.00 0.00 N ATOM 280 CA TYR A 20 -3.076 7.229 -1.662 1.00 0.00 C ATOM 281 C TYR A 20 -2.330 6.185 -2.494 1.00 0.00 C ATOM 282 O TYR A 20 -2.732 5.024 -2.542 1.00 0.00 O ATOM 283 CB TYR A 20 -3.664 8.328 -2.566 1.00 0.00 C ATOM 284 CG TYR A 20 -4.575 7.833 -3.677 1.00 0.00 C ATOM 285 CD1 TYR A 20 -4.026 7.298 -4.856 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.975 7.939 -3.547 1.00 0.00 C ATOM 287 CE1 TYR A 20 -4.862 6.821 -5.879 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.818 7.487 -4.585 1.00 0.00 C ATOM 289 CZ TYR A 20 -6.260 6.915 -5.749 1.00 0.00 C ATOM 290 OH TYR A 20 -7.051 6.454 -6.756 1.00 0.00 O ATOM 0 H TYR A 20 -2.102 8.843 -0.789 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.891 6.723 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.223 9.027 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.842 8.886 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.954 7.254 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.403 8.367 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.431 6.382 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.890 7.579 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.993 6.587 -6.519 1.00 0.00 H new ATOM 300 N TYR A 21 -1.234 6.596 -3.144 1.00 0.00 N ATOM 301 CA TYR A 21 -0.444 5.724 -4.009 1.00 0.00 C ATOM 302 C TYR A 21 0.083 4.513 -3.228 1.00 0.00 C ATOM 303 O TYR A 21 -0.054 3.370 -3.662 1.00 0.00 O ATOM 304 CB TYR A 21 0.697 6.547 -4.633 1.00 0.00 C ATOM 305 CG TYR A 21 1.552 5.801 -5.632 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.419 4.770 -5.201 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.492 6.126 -7.004 1.00 0.00 C ATOM 308 CE1 TYR A 21 3.171 4.030 -6.135 1.00 0.00 C ATOM 309 CE2 TYR A 21 2.257 5.398 -7.943 1.00 0.00 C ATOM 310 CZ TYR A 21 3.081 4.333 -7.509 1.00 0.00 C ATOM 311 OH TYR A 21 3.776 3.576 -8.399 1.00 0.00 O ATOM 0 H TYR A 21 -0.872 7.548 -3.082 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.070 5.330 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.268 7.420 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.338 6.916 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.505 4.548 -4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.859 6.935 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.816 3.231 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.213 5.654 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 21 3.612 3.906 -9.307 1.00 0.00 H new ATOM 321 N SER A 22 0.687 4.761 -2.061 1.00 0.00 N ATOM 322 CA SER A 22 1.230 3.707 -1.209 1.00 0.00 C ATOM 323 C SER A 22 0.123 2.813 -0.650 1.00 0.00 C ATOM 324 O SER A 22 0.276 1.589 -0.639 1.00 0.00 O ATOM 325 CB SER A 22 2.063 4.302 -0.071 1.00 0.00 C ATOM 326 OG SER A 22 3.364 4.607 -0.538 1.00 0.00 O ATOM 0 H SER A 22 0.811 5.700 -1.684 1.00 0.00 H new ATOM 0 HA SER A 22 1.880 3.088 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.583 5.203 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.120 3.596 0.758 1.00 0.00 H new ATOM 0 HG SER A 22 3.893 4.989 0.193 1.00 0.00 H new ATOM 332 N ALA A 23 -1.002 3.392 -0.246 1.00 0.00 N ATOM 333 CA ALA A 23 -2.191 2.661 0.163 1.00 0.00 C ATOM 334 C ALA A 23 -2.699 1.782 -0.974 1.00 0.00 C ATOM 335 O ALA A 23 -2.969 0.637 -0.698 1.00 0.00 O ATOM 336 CB ALA A 23 -3.295 3.585 0.666 1.00 0.00 C ATOM 0 H ALA A 23 -1.113 4.405 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.904 2.023 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.161 2.991 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.934 4.149 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.581 4.276 -0.127 1.00 0.00 H new ATOM 342 N LEU A 24 -2.780 2.260 -2.224 1.00 0.00 N ATOM 343 CA LEU A 24 -3.151 1.451 -3.379 1.00 0.00 C ATOM 344 C LEU A 24 -2.246 0.217 -3.471 1.00 0.00 C ATOM 345 O LEU A 24 -2.741 -0.905 -3.582 1.00 0.00 O ATOM 346 CB LEU A 24 -3.130 2.343 -4.640 1.00 0.00 C ATOM 347 CG LEU A 24 -2.857 1.635 -5.982 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.019 0.720 -6.397 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.504 2.651 -7.082 1.00 0.00 C ATOM 0 H LEU A 24 -2.586 3.234 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.165 1.064 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.091 2.852 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.371 3.113 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.990 0.990 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.784 0.242 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.171 -0.044 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.928 1.312 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.316 2.124 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.334 3.345 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.611 3.205 -6.792 1.00 0.00 H new ATOM 361 N ARG A 25 -0.922 0.401 -3.384 1.00 0.00 N ATOM 362 CA ARG A 25 0.020 -0.718 -3.426 1.00 0.00 C ATOM 363 C ARG A 25 -0.234 -1.719 -2.299 1.00 0.00 C ATOM 364 O ARG A 25 -0.379 -2.921 -2.554 1.00 0.00 O ATOM 365 CB ARG A 25 1.471 -0.196 -3.421 1.00 0.00 C ATOM 366 CG ARG A 25 2.224 -0.704 -4.655 1.00 0.00 C ATOM 367 CD ARG A 25 2.472 -2.224 -4.620 1.00 0.00 C ATOM 368 NE ARG A 25 3.716 -2.560 -3.898 1.00 0.00 N ATOM 369 CZ ARG A 25 4.942 -2.518 -4.401 1.00 0.00 C ATOM 370 NH1 ARG A 25 5.165 -2.161 -5.645 1.00 0.00 N ATOM 371 NH2 ARG A 25 5.980 -2.833 -3.661 1.00 0.00 N ATOM 0 H ARG A 25 -0.482 1.316 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.139 -1.261 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.472 0.894 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.980 -0.525 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.655 -0.454 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.180 -0.186 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.628 -2.719 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.528 -2.607 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 25 3.624 -2.851 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.384 -1.907 -6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.119 -2.138 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.847 -3.113 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.919 -2.797 -4.058 1.00 0.00 H new ATOM 385 N ARG A 26 -0.307 -1.231 -1.055 1.00 0.00 N ATOM 386 CA ARG A 26 -0.551 -2.082 0.114 1.00 0.00 C ATOM 387 C ARG A 26 -1.935 -2.737 0.078 1.00 0.00 C ATOM 388 O ARG A 26 -2.043 -3.909 0.422 1.00 0.00 O ATOM 389 CB ARG A 26 -0.342 -1.249 1.384 1.00 0.00 C ATOM 390 CG ARG A 26 -0.109 -2.154 2.600 1.00 0.00 C ATOM 391 CD ARG A 26 0.524 -1.367 3.752 1.00 0.00 C ATOM 392 NE ARG A 26 -0.244 -1.504 5.001 1.00 0.00 N ATOM 393 CZ ARG A 26 0.078 -0.982 6.175 1.00 0.00 C ATOM 394 NH1 ARG A 26 1.167 -0.264 6.333 1.00 0.00 N ATOM 395 NH2 ARG A 26 -0.694 -1.177 7.217 1.00 0.00 N ATOM 0 H ARG A 26 -0.199 -0.242 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 26 0.161 -2.907 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.512 -0.584 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.214 -0.618 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.056 -2.584 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.540 -2.985 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.544 -1.717 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.588 -0.314 3.479 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.103 -2.052 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.787 -0.097 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.392 0.127 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.545 -1.732 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.444 -0.774 8.120 1.00 0.00 H new ATOM 409 N TYR A 27 -2.948 -2.018 -0.403 1.00 0.00 N ATOM 410 CA TYR A 27 -4.324 -2.454 -0.635 1.00 0.00 C ATOM 411 C TYR A 27 -4.374 -3.628 -1.610 1.00 0.00 C ATOM 412 O TYR A 27 -5.041 -4.614 -1.315 1.00 0.00 O ATOM 413 CB TYR A 27 -5.153 -1.265 -1.151 1.00 0.00 C ATOM 414 CG TYR A 27 -6.590 -1.553 -1.517 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.464 -2.074 -0.544 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.064 -1.254 -2.811 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.805 -2.328 -0.866 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.408 -1.498 -3.136 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.278 -2.040 -2.165 1.00 0.00 C ATOM 420 OH TYR A 27 -10.567 -2.331 -2.495 1.00 0.00 O ATOM 0 H TYR A 27 -2.818 -1.040 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.750 -2.803 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.145 -0.487 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.653 -0.856 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.101 -2.278 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.395 -0.838 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.472 -2.742 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.775 -1.272 -4.126 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.734 -2.070 -3.425 1.00 0.00 H new ATOM 430 N ILE A 28 -3.629 -3.574 -2.722 1.00 0.00 N ATOM 431 CA ILE A 28 -3.475 -4.717 -3.633 1.00 0.00 C ATOM 432 C ILE A 28 -2.842 -5.908 -2.911 1.00 0.00 C ATOM 433 O ILE A 28 -3.399 -7.007 -2.956 1.00 0.00 O ATOM 434 CB ILE A 28 -2.693 -4.306 -4.901 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.526 -3.354 -5.796 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.211 -5.513 -5.721 1.00 0.00 C ATOM 437 CD1 ILE A 28 -4.920 -3.857 -6.197 1.00 0.00 C ATOM 0 H ILE A 28 -3.118 -2.741 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.463 -5.038 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.808 -3.776 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.640 -2.404 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.959 -3.152 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.668 -5.163 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.552 -6.129 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.070 -6.104 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.411 -3.110 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.824 -4.789 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.516 -4.029 -5.301 1.00 0.00 H new ATOM 448 N ASN A 29 -1.725 -5.691 -2.206 1.00 0.00 N ATOM 449 CA ASN A 29 -1.089 -6.766 -1.436 1.00 0.00 C ATOM 450 C ASN A 29 -2.042 -7.347 -0.374 1.00 0.00 C ATOM 451 O ASN A 29 -1.999 -8.545 -0.124 1.00 0.00 O ATOM 452 CB ASN A 29 0.235 -6.278 -0.816 1.00 0.00 C ATOM 453 CG ASN A 29 1.289 -7.378 -0.767 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.661 -7.957 -1.773 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.853 -7.671 0.389 1.00 0.00 N ATOM 0 H ASN A 29 -1.247 -4.791 -2.153 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.855 -7.580 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.617 -5.437 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.048 -5.911 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.591 -8.374 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.552 -7.194 1.239 1.00 0.00 H new ATOM 462 N MET A 30 -2.926 -6.527 0.216 1.00 0.00 N ATOM 463 CA MET A 30 -3.983 -6.930 1.149 1.00 0.00 C ATOM 464 C MET A 30 -5.162 -7.655 0.486 1.00 0.00 C ATOM 465 O MET A 30 -5.689 -8.606 1.056 1.00 0.00 O ATOM 466 CB MET A 30 -4.489 -5.699 1.914 1.00 0.00 C ATOM 467 CG MET A 30 -3.994 -5.720 3.364 1.00 0.00 C ATOM 468 SD MET A 30 -4.052 -4.112 4.208 1.00 0.00 S ATOM 469 CE MET A 30 -5.838 -3.780 4.205 1.00 0.00 C ATOM 0 H MET A 30 -2.921 -5.521 0.046 1.00 0.00 H new ATOM 0 HA MET A 30 -3.533 -7.652 1.830 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.144 -4.791 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.579 -5.677 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.594 -6.433 3.928 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.967 -6.086 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.031 -2.824 4.691 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.200 -3.744 3.177 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.356 -4.573 4.745 1.00 0.00 H new