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 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -155:sc= -0.263 (180deg=-1.13) 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -1.491 13.716 1.226 1.00 0.00 N ATOM 213 CA GLN A 16 -2.515 12.678 1.082 1.00 0.00 C ATOM 214 C GLN A 16 -2.284 11.808 -0.165 1.00 0.00 C ATOM 215 O GLN A 16 -2.678 10.646 -0.183 1.00 0.00 O ATOM 216 CB GLN A 16 -3.901 13.347 1.077 1.00 0.00 C ATOM 217 CG GLN A 16 -5.067 12.362 1.151 1.00 0.00 C ATOM 218 CD GLN A 16 -6.009 12.709 2.300 1.00 0.00 C ATOM 219 OE1 GLN A 16 -5.883 12.207 3.410 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.971 13.587 2.087 1.00 0.00 N ATOM 0 HA GLN A 16 -2.454 11.995 1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.965 14.034 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.001 13.945 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.617 12.374 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.684 11.350 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.081 14.009 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.604 13.844 2.844 1.00 0.00 H new ATOM 229 N MET A 17 -1.598 12.322 -1.190 1.00 0.00 N ATOM 230 CA MET A 17 -1.286 11.622 -2.446 1.00 0.00 C ATOM 231 C MET A 17 -0.213 10.555 -2.231 1.00 0.00 C ATOM 232 O MET A 17 -0.365 9.418 -2.685 1.00 0.00 O ATOM 233 CB MET A 17 -0.813 12.645 -3.485 1.00 0.00 C ATOM 234 CG MET A 17 -1.852 12.917 -4.572 1.00 0.00 C ATOM 235 SD MET A 17 -1.667 11.910 -6.069 1.00 0.00 S ATOM 236 CE MET A 17 -0.011 12.435 -6.597 1.00 0.00 C ATOM 0 H MET A 17 -1.229 13.273 -1.170 1.00 0.00 H new ATOM 0 HA MET A 17 -2.186 11.121 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.569 13.580 -2.981 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.105 12.285 -3.950 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.845 12.746 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.799 13.970 -4.850 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.092 12.287 -7.672 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.129 13.490 -6.361 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.742 11.844 -6.076 1.00 0.00 H new ATOM 245 N ALA A 18 0.842 10.892 -1.477 1.00 0.00 N ATOM 246 CA ALA A 18 1.855 9.914 -1.098 1.00 0.00 C ATOM 247 C ALA A 18 1.248 8.757 -0.286 1.00 0.00 C ATOM 248 O ALA A 18 1.655 7.605 -0.444 1.00 0.00 O ATOM 249 CB ALA A 18 2.978 10.618 -0.329 1.00 0.00 C ATOM 0 H ALA A 18 1.011 11.833 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 18 2.273 9.470 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.737 9.889 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.429 11.382 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.569 11.084 0.567 1.00 0.00 H new ATOM 255 N ARG A 19 0.221 9.058 0.521 1.00 0.00 N ATOM 256 CA ARG A 19 -0.548 8.067 1.259 1.00 0.00 C ATOM 257 C ARG A 19 -1.515 7.286 0.363 1.00 0.00 C ATOM 258 O ARG A 19 -1.646 6.082 0.552 1.00 0.00 O ATOM 259 CB ARG A 19 -1.271 8.739 2.446 1.00 0.00 C ATOM 260 CG ARG A 19 -0.857 8.137 3.806 1.00 0.00 C ATOM 261 CD ARG A 19 -1.310 6.677 3.995 1.00 0.00 C ATOM 262 NE ARG A 19 -2.012 6.467 5.280 1.00 0.00 N ATOM 263 CZ ARG A 19 -1.495 6.419 6.500 1.00 0.00 C ATOM 264 NH1 ARG A 19 -0.207 6.495 6.738 1.00 0.00 N ATOM 265 NH2 ARG A 19 -2.290 6.274 7.545 1.00 0.00 N ATOM 0 H ARG A 19 -0.098 10.014 0.676 1.00 0.00 H new ATOM 0 HA ARG A 19 0.149 7.327 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.053 9.807 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.348 8.634 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.228 8.188 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.277 8.746 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.969 6.394 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.441 6.021 3.947 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.023 6.343 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.450 6.596 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.138 6.453 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.299 6.199 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.895 6.237 8.485 1.00 0.00 H new ATOM 279 N TYR A 20 -2.138 7.928 -0.621 1.00 0.00 N ATOM 280 CA TYR A 20 -3.042 7.324 -1.604 1.00 0.00 C ATOM 281 C TYR A 20 -2.340 6.229 -2.412 1.00 0.00 C ATOM 282 O TYR A 20 -2.792 5.085 -2.435 1.00 0.00 O ATOM 283 CB TYR A 20 -3.575 8.423 -2.540 1.00 0.00 C ATOM 284 CG TYR A 20 -4.553 7.947 -3.599 1.00 0.00 C ATOM 285 CD1 TYR A 20 -4.070 7.411 -4.813 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.937 8.066 -3.391 1.00 0.00 C ATOM 287 CE1 TYR A 20 -4.967 6.971 -5.804 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.843 7.649 -4.386 1.00 0.00 C ATOM 289 CZ TYR A 20 -6.357 7.097 -5.594 1.00 0.00 C ATOM 290 OH TYR A 20 -7.219 6.729 -6.581 1.00 0.00 O ATOM 0 H TYR A 20 -2.023 8.931 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.872 6.856 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.062 9.189 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.729 8.898 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.006 7.338 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.308 8.479 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.594 6.539 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.906 7.751 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.141 6.875 -6.282 1.00 0.00 H new ATOM 300 N TYR A 21 -1.225 6.569 -3.064 1.00 0.00 N ATOM 301 CA TYR A 21 -0.479 5.631 -3.905 1.00 0.00 C ATOM 302 C TYR A 21 0.061 4.435 -3.101 1.00 0.00 C ATOM 303 O TYR A 21 -0.054 3.281 -3.522 1.00 0.00 O ATOM 304 CB TYR A 21 0.657 6.395 -4.594 1.00 0.00 C ATOM 305 CG TYR A 21 1.461 5.552 -5.566 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.569 4.812 -5.104 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.096 5.500 -6.927 1.00 0.00 C ATOM 308 CE1 TYR A 21 3.321 4.032 -6.006 1.00 0.00 C ATOM 309 CE2 TYR A 21 1.841 4.717 -7.821 1.00 0.00 C ATOM 310 CZ TYR A 21 2.960 3.990 -7.372 1.00 0.00 C ATOM 311 OH TYR A 21 3.691 3.256 -8.248 1.00 0.00 O ATOM 0 H TYR A 21 -0.815 7.502 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.152 5.213 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.237 7.247 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.328 6.794 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.841 4.843 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.244 6.062 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.172 3.467 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.554 4.671 -8.861 1.00 0.00 H new ATOM 0 HH TYR A 21 3.304 3.337 -9.145 1.00 0.00 H new ATOM 321 N SER A 22 0.615 4.707 -1.916 1.00 0.00 N ATOM 322 CA SER A 22 1.062 3.654 -1.007 1.00 0.00 C ATOM 323 C SER A 22 -0.104 2.792 -0.529 1.00 0.00 C ATOM 324 O SER A 22 0.022 1.567 -0.488 1.00 0.00 O ATOM 325 CB SER A 22 1.811 4.235 0.196 1.00 0.00 C ATOM 326 OG SER A 22 3.170 3.867 0.127 1.00 0.00 O ATOM 0 H SER A 22 0.764 5.653 -1.565 1.00 0.00 H new ATOM 0 HA SER A 22 1.748 3.021 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.718 5.321 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.371 3.869 1.123 1.00 0.00 H new ATOM 0 HG SER A 22 3.649 4.240 0.896 1.00 0.00 H new ATOM 332 N ALA A 23 -1.250 3.409 -0.208 1.00 0.00 N ATOM 333 CA ALA A 23 -2.465 2.692 0.129 1.00 0.00 C ATOM 334 C ALA A 23 -2.934 1.815 -1.028 1.00 0.00 C ATOM 335 O ALA A 23 -3.278 0.674 -0.756 1.00 0.00 O ATOM 336 CB ALA A 23 -3.572 3.647 0.583 1.00 0.00 C ATOM 0 H ALA A 23 -1.350 4.424 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.232 2.036 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.468 3.076 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.240 4.196 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.798 4.350 -0.219 1.00 0.00 H new ATOM 342 N LEU A 24 -2.881 2.266 -2.289 1.00 0.00 N ATOM 343 CA LEU A 24 -3.156 1.440 -3.464 1.00 0.00 C ATOM 344 C LEU A 24 -2.238 0.215 -3.476 1.00 0.00 C ATOM 345 O LEU A 24 -2.734 -0.909 -3.545 1.00 0.00 O ATOM 346 CB LEU A 24 -3.048 2.314 -4.724 1.00 0.00 C ATOM 347 CG LEU A 24 -2.718 1.576 -6.039 1.00 0.00 C ATOM 348 CD1 LEU A 24 -3.898 0.725 -6.522 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.268 2.564 -7.132 1.00 0.00 C ATOM 0 H LEU A 24 -2.642 3.230 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.172 1.046 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.992 2.843 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.280 3.069 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.889 0.899 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.627 0.221 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.145 -0.018 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.762 1.366 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.042 2.016 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.066 3.281 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.377 3.095 -6.798 1.00 0.00 H new ATOM 361 N ARG A 25 -0.913 0.408 -3.379 1.00 0.00 N ATOM 362 CA ARG A 25 0.037 -0.712 -3.369 1.00 0.00 C ATOM 363 C ARG A 25 -0.297 -1.704 -2.263 1.00 0.00 C ATOM 364 O ARG A 25 -0.379 -2.904 -2.523 1.00 0.00 O ATOM 365 CB ARG A 25 1.470 -0.191 -3.211 1.00 0.00 C ATOM 366 CG ARG A 25 2.522 -1.267 -3.521 1.00 0.00 C ATOM 367 CD ARG A 25 2.621 -1.565 -5.030 1.00 0.00 C ATOM 368 NE ARG A 25 4.016 -1.806 -5.443 1.00 0.00 N ATOM 369 CZ ARG A 25 4.780 -2.854 -5.164 1.00 0.00 C ATOM 370 NH1 ARG A 25 4.303 -3.909 -4.533 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.047 -2.842 -5.492 1.00 0.00 N ATOM 0 H ARG A 25 -0.478 1.328 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.043 -1.235 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.619 0.661 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.612 0.170 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.494 -0.940 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.271 -2.183 -2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.013 -2.438 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.213 -0.727 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 25 4.446 -1.078 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.324 -3.933 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.913 -4.701 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.445 -2.028 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.637 -3.646 -5.279 1.00 0.00 H new ATOM 385 N ARG A 26 -0.505 -1.204 -1.039 1.00 0.00 N ATOM 386 CA ARG A 26 -0.840 -2.042 0.111 1.00 0.00 C ATOM 387 C ARG A 26 -2.190 -2.724 -0.058 1.00 0.00 C ATOM 388 O ARG A 26 -2.262 -3.918 0.189 1.00 0.00 O ATOM 389 CB ARG A 26 -0.756 -1.238 1.419 1.00 0.00 C ATOM 390 CG ARG A 26 -0.236 -2.111 2.564 1.00 0.00 C ATOM 391 CD ARG A 26 -1.334 -2.924 3.282 1.00 0.00 C ATOM 392 NE ARG A 26 -1.989 -2.119 4.326 1.00 0.00 N ATOM 393 CZ ARG A 26 -1.479 -1.793 5.507 1.00 0.00 C ATOM 394 NH1 ARG A 26 -0.297 -2.224 5.895 1.00 0.00 N ATOM 395 NH2 ARG A 26 -2.158 -0.998 6.291 1.00 0.00 N ATOM 0 H ARG A 26 -0.445 -0.209 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.098 -2.839 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.097 -0.381 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.741 -0.846 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.513 -2.799 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.266 -1.475 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.076 -3.259 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.897 -3.818 3.727 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.928 -1.778 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.253 -2.825 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.069 -1.956 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.064 -0.639 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.782 -0.737 7.202 1.00 0.00 H new ATOM 409 N TYR A 27 -3.222 -2.006 -0.508 1.00 0.00 N ATOM 410 CA TYR A 27 -4.565 -2.504 -0.808 1.00 0.00 C ATOM 411 C TYR A 27 -4.503 -3.638 -1.832 1.00 0.00 C ATOM 412 O TYR A 27 -5.110 -4.682 -1.618 1.00 0.00 O ATOM 413 CB TYR A 27 -5.432 -1.321 -1.294 1.00 0.00 C ATOM 414 CG TYR A 27 -6.896 -1.603 -1.573 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.728 -2.076 -0.534 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.443 -1.353 -2.849 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.077 -2.372 -0.793 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.800 -1.644 -3.109 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.613 -2.189 -2.085 1.00 0.00 C ATOM 420 OH TYR A 27 -10.877 -2.622 -2.352 1.00 0.00 O ATOM 0 H TYR A 27 -3.137 -1.005 -0.682 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.022 -2.923 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.377 -0.532 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.984 -0.926 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.327 -2.210 0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.822 -0.938 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.707 -2.742 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.217 -1.451 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.101 -2.422 -3.285 1.00 0.00 H new ATOM 430 N ILE A 28 -3.693 -3.523 -2.874 1.00 0.00 N ATOM 431 CA ILE A 28 -3.488 -4.614 -3.835 1.00 0.00 C ATOM 432 C ILE A 28 -2.716 -5.782 -3.190 1.00 0.00 C ATOM 433 O ILE A 28 -2.999 -6.942 -3.485 1.00 0.00 O ATOM 434 CB ILE A 28 -2.803 -4.049 -5.101 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.684 -2.966 -5.779 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.426 -5.149 -6.109 1.00 0.00 C ATOM 437 CD1 ILE A 28 -4.850 -3.472 -6.635 1.00 0.00 C ATOM 0 H ILE A 28 -3.159 -2.679 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.448 -5.033 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.874 -3.585 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.088 -2.318 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.042 -2.348 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.949 -4.697 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.737 -5.851 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.325 -5.679 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.389 -2.622 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.465 -4.092 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.526 -4.062 -6.016 1.00 0.00 H new ATOM 448 N ASN A 29 -1.783 -5.507 -2.268 1.00 0.00 N ATOM 449 CA ASN A 29 -1.046 -6.540 -1.533 1.00 0.00 C ATOM 450 C ASN A 29 -1.925 -7.293 -0.514 1.00 0.00 C ATOM 451 O ASN A 29 -1.855 -8.511 -0.447 1.00 0.00 O ATOM 452 CB ASN A 29 0.185 -5.904 -0.859 1.00 0.00 C ATOM 453 CG ASN A 29 1.350 -6.879 -0.786 1.00 0.00 C ATOM 454 OD1 ASN A 29 2.090 -7.052 -1.742 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.563 -7.521 0.340 1.00 0.00 N ATOM 0 H ASN A 29 -1.518 -4.556 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.718 -7.294 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.487 -5.016 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.079 -5.576 0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.349 -8.167 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.943 -7.374 1.136 1.00 0.00 H new ATOM 462 N MET A 30 -2.740 -6.589 0.283 1.00 0.00 N ATOM 463 CA MET A 30 -3.667 -7.144 1.274 1.00 0.00 C ATOM 464 C MET A 30 -4.880 -7.840 0.638 1.00 0.00 C ATOM 465 O MET A 30 -5.313 -8.873 1.143 1.00 0.00 O ATOM 466 CB MET A 30 -4.113 -6.055 2.270 1.00 0.00 C ATOM 467 CG MET A 30 -4.736 -4.831 1.625 1.00 0.00 C ATOM 468 SD MET A 30 -6.419 -4.392 2.118 1.00 0.00 S ATOM 469 CE MET A 30 -6.017 -3.284 3.487 1.00 0.00 C ATOM 0 H MET A 30 -2.771 -5.570 0.252 1.00 0.00 H new ATOM 0 HA MET A 30 -3.121 -7.916 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.831 -6.489 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.250 -5.741 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.091 -3.977 1.832 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.730 -4.980 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.938 -2.903 3.929 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.450 -3.829 4.242 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.420 -2.450 3.117 1.00 0.00 H new