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= 0.0124 X(o=0.012,f=-0.41) 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=-0.42) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.349 13.325 1.380 1.00 0.00 N ATOM 213 CA GLN A 16 -1.551 12.650 0.922 1.00 0.00 C ATOM 214 C GLN A 16 -1.306 11.980 -0.425 1.00 0.00 C ATOM 215 O GLN A 16 -1.813 10.889 -0.639 1.00 0.00 O ATOM 216 CB GLN A 16 -2.668 13.685 0.836 1.00 0.00 C ATOM 217 CG GLN A 16 -4.032 13.055 0.520 1.00 0.00 C ATOM 218 CD GLN A 16 -4.800 12.507 1.718 1.00 0.00 C ATOM 219 OE1 GLN A 16 -4.359 12.494 2.857 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.009 12.037 1.473 1.00 0.00 N ATOM 0 HA GLN A 16 -1.837 11.863 1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.731 14.225 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.422 14.416 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.652 13.803 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.881 12.245 -0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.377 12.048 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.575 11.663 2.235 1.00 0.00 H new ATOM 229 N MET A 17 -0.517 12.566 -1.333 1.00 0.00 N ATOM 230 CA MET A 17 -0.240 11.985 -2.643 1.00 0.00 C ATOM 231 C MET A 17 0.552 10.680 -2.519 1.00 0.00 C ATOM 232 O MET A 17 0.186 9.662 -3.110 1.00 0.00 O ATOM 233 CB MET A 17 0.511 13.020 -3.490 1.00 0.00 C ATOM 234 CG MET A 17 -0.437 13.773 -4.423 1.00 0.00 C ATOM 235 SD MET A 17 -1.081 12.736 -5.764 1.00 0.00 S ATOM 236 CE MET A 17 -2.128 13.929 -6.638 1.00 0.00 C ATOM 0 H MET A 17 -0.053 13.460 -1.175 1.00 0.00 H new ATOM 0 HA MET A 17 -1.180 11.731 -3.133 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.018 13.729 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.282 12.521 -4.078 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.271 14.168 -3.843 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.086 14.628 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.598 13.443 -7.493 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.899 14.300 -5.963 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.518 14.763 -6.985 1.00 0.00 H new ATOM 245 N ALA A 18 1.593 10.690 -1.672 1.00 0.00 N ATOM 246 CA ALA A 18 2.350 9.479 -1.373 1.00 0.00 C ATOM 247 C ALA A 18 1.517 8.462 -0.582 1.00 0.00 C ATOM 248 O ALA A 18 1.785 7.260 -0.648 1.00 0.00 O ATOM 249 CB ALA A 18 3.646 9.874 -0.625 1.00 0.00 C ATOM 0 H ALA A 18 1.924 11.524 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 18 2.614 8.982 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.221 8.977 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.241 10.536 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.389 10.387 0.302 1.00 0.00 H new ATOM 255 N ARG A 19 0.475 8.922 0.128 1.00 0.00 N ATOM 256 CA ARG A 19 -0.445 8.066 0.882 1.00 0.00 C ATOM 257 C ARG A 19 -1.508 7.447 -0.003 1.00 0.00 C ATOM 258 O ARG A 19 -1.732 6.257 0.126 1.00 0.00 O ATOM 259 CB ARG A 19 -1.118 8.834 2.020 1.00 0.00 C ATOM 260 CG ARG A 19 -1.338 7.972 3.271 1.00 0.00 C ATOM 261 CD ARG A 19 -0.028 7.779 4.042 1.00 0.00 C ATOM 262 NE ARG A 19 -0.278 7.473 5.463 1.00 0.00 N ATOM 263 CZ ARG A 19 0.611 7.535 6.448 1.00 0.00 C ATOM 264 NH1 ARG A 19 1.881 7.780 6.222 1.00 0.00 N ATOM 265 NH2 ARG A 19 0.230 7.354 7.691 1.00 0.00 N ATOM 0 H ARG A 19 0.247 9.914 0.193 1.00 0.00 H new ATOM 0 HA ARG A 19 0.163 7.264 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.506 9.697 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.078 9.218 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.078 8.444 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.740 7.001 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.546 6.970 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.578 8.682 3.964 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.224 7.186 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.210 7.929 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.539 7.821 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.750 7.165 7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.914 7.402 8.446 1.00 0.00 H new ATOM 279 N TYR A 20 -2.125 8.202 -0.912 1.00 0.00 N ATOM 280 CA TYR A 20 -3.113 7.743 -1.883 1.00 0.00 C ATOM 281 C TYR A 20 -2.595 6.523 -2.655 1.00 0.00 C ATOM 282 O TYR A 20 -3.257 5.493 -2.718 1.00 0.00 O ATOM 283 CB TYR A 20 -3.437 8.920 -2.829 1.00 0.00 C ATOM 284 CG TYR A 20 -4.738 9.655 -2.549 1.00 0.00 C ATOM 285 CD1 TYR A 20 -5.954 8.943 -2.515 1.00 0.00 C ATOM 286 CD2 TYR A 20 -4.741 11.057 -2.369 1.00 0.00 C ATOM 287 CE1 TYR A 20 -7.161 9.621 -2.267 1.00 0.00 C ATOM 288 CE2 TYR A 20 -5.952 11.736 -2.119 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.166 11.013 -2.060 1.00 0.00 C ATOM 290 OH TYR A 20 -8.346 11.639 -1.806 1.00 0.00 O ATOM 0 H TYR A 20 -1.938 9.201 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.023 7.425 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.618 9.638 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.468 8.542 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.959 7.876 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.815 11.609 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.089 9.070 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.952 12.806 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.188 12.598 -1.684 1.00 0.00 H new ATOM 300 N TYR A 21 -1.367 6.634 -3.179 1.00 0.00 N ATOM 301 CA TYR A 21 -0.689 5.540 -3.870 1.00 0.00 C ATOM 302 C TYR A 21 -0.268 4.403 -2.918 1.00 0.00 C ATOM 303 O TYR A 21 -0.416 3.226 -3.234 1.00 0.00 O ATOM 304 CB TYR A 21 0.527 6.137 -4.587 1.00 0.00 C ATOM 305 CG TYR A 21 1.304 5.113 -5.385 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.289 4.330 -4.754 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.006 4.907 -6.747 1.00 0.00 C ATOM 308 CE1 TYR A 21 2.969 3.334 -5.473 1.00 0.00 C ATOM 309 CE2 TYR A 21 1.698 3.926 -7.475 1.00 0.00 C ATOM 310 CZ TYR A 21 2.680 3.134 -6.833 1.00 0.00 C ATOM 311 OH TYR A 21 3.339 2.163 -7.521 1.00 0.00 O ATOM 0 H TYR A 21 -0.817 7.492 -3.133 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.377 5.082 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.194 6.933 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.188 6.594 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.523 4.496 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.246 5.503 -7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.712 2.723 -4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.482 3.776 -8.522 1.00 0.00 H new ATOM 0 HH TYR A 21 3.026 2.150 -8.449 1.00 0.00 H new ATOM 321 N SER A 22 0.267 4.741 -1.732 1.00 0.00 N ATOM 322 CA SER A 22 0.670 3.739 -0.741 1.00 0.00 C ATOM 323 C SER A 22 -0.522 2.921 -0.234 1.00 0.00 C ATOM 324 O SER A 22 -0.430 1.695 -0.182 1.00 0.00 O ATOM 325 CB SER A 22 1.429 4.417 0.401 1.00 0.00 C ATOM 326 OG SER A 22 1.812 3.495 1.401 1.00 0.00 O ATOM 0 H SER A 22 0.429 5.705 -1.440 1.00 0.00 H new ATOM 0 HA SER A 22 1.339 3.027 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.316 4.911 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.803 5.192 0.843 1.00 0.00 H new ATOM 0 HG SER A 22 2.295 3.965 2.112 1.00 0.00 H new ATOM 332 N ALA A 23 -1.663 3.557 0.057 1.00 0.00 N ATOM 333 CA ALA A 23 -2.907 2.919 0.476 1.00 0.00 C ATOM 334 C ALA A 23 -3.489 2.048 -0.630 1.00 0.00 C ATOM 335 O ALA A 23 -4.069 1.002 -0.342 1.00 0.00 O ATOM 336 CB ALA A 23 -3.908 3.999 0.918 1.00 0.00 C ATOM 0 H ALA A 23 -1.743 4.572 0.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.697 2.260 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.839 3.526 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.489 4.564 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.107 4.674 0.085 1.00 0.00 H new ATOM 342 N LEU A 24 -3.280 2.429 -1.902 1.00 0.00 N ATOM 343 CA LEU A 24 -3.577 1.619 -3.065 1.00 0.00 C ATOM 344 C LEU A 24 -2.738 0.342 -3.042 1.00 0.00 C ATOM 345 O LEU A 24 -3.294 -0.754 -2.976 1.00 0.00 O ATOM 346 CB LEU A 24 -3.416 2.487 -4.333 1.00 0.00 C ATOM 347 CG LEU A 24 -3.180 1.717 -5.645 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.473 1.076 -6.132 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.618 2.622 -6.741 1.00 0.00 C ATOM 0 H LEU A 24 -2.887 3.339 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.611 1.275 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.311 3.098 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.581 3.170 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.446 0.940 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.285 0.537 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.842 0.381 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.220 1.851 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.466 2.041 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.321 3.431 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.666 3.041 -6.414 1.00 0.00 H new ATOM 361 N ARG A 25 -1.399 0.463 -3.051 1.00 0.00 N ATOM 362 CA ARG A 25 -0.542 -0.722 -3.047 1.00 0.00 C ATOM 363 C ARG A 25 -0.723 -1.565 -1.784 1.00 0.00 C ATOM 364 O ARG A 25 -0.557 -2.780 -1.858 1.00 0.00 O ATOM 365 CB ARG A 25 0.932 -0.328 -3.270 1.00 0.00 C ATOM 366 CG ARG A 25 1.453 -0.866 -4.615 1.00 0.00 C ATOM 367 CD ARG A 25 1.391 -2.407 -4.752 1.00 0.00 C ATOM 368 NE ARG A 25 2.725 -3.026 -4.875 1.00 0.00 N ATOM 369 CZ ARG A 25 3.582 -2.895 -5.884 1.00 0.00 C ATOM 370 NH1 ARG A 25 3.329 -2.132 -6.922 1.00 0.00 N ATOM 371 NH2 ARG A 25 4.723 -3.540 -5.870 1.00 0.00 N ATOM 0 H ARG A 25 -0.900 1.353 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.851 -1.354 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.029 0.757 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.543 -0.720 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.873 -0.418 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.485 -0.542 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.881 -2.824 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.794 -2.665 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 25 3.023 -3.620 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.451 -1.615 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.010 -2.056 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.957 -4.146 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.377 -3.436 -6.646 1.00 0.00 H new ATOM 385 N ARG A 26 -1.145 -0.965 -0.670 1.00 0.00 N ATOM 386 CA ARG A 26 -1.496 -1.661 0.564 1.00 0.00 C ATOM 387 C ARG A 26 -2.654 -2.623 0.351 1.00 0.00 C ATOM 388 O ARG A 26 -2.496 -3.820 0.595 1.00 0.00 O ATOM 389 CB ARG A 26 -1.819 -0.644 1.659 1.00 0.00 C ATOM 390 CG ARG A 26 -1.783 -1.267 3.062 1.00 0.00 C ATOM 391 CD ARG A 26 -3.106 -1.073 3.818 1.00 0.00 C ATOM 392 NE ARG A 26 -2.922 -1.278 5.272 1.00 0.00 N ATOM 393 CZ ARG A 26 -2.279 -0.478 6.109 1.00 0.00 C ATOM 394 NH1 ARG A 26 -1.754 0.664 5.716 1.00 0.00 N ATOM 395 NH2 ARG A 26 -2.122 -0.804 7.372 1.00 0.00 N ATOM 0 H ARG A 26 -1.254 0.047 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.639 -2.257 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.105 0.178 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.806 -0.219 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.567 -2.332 2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.970 -0.821 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.490 -0.069 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.851 -1.773 3.440 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.333 -2.122 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.837 0.955 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.265 1.258 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.498 -1.685 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.624 -0.176 8.003 1.00 0.00 H new ATOM 409 N TYR A 27 -3.806 -2.128 -0.123 1.00 0.00 N ATOM 410 CA TYR A 27 -4.949 -3.009 -0.360 1.00 0.00 C ATOM 411 C TYR A 27 -4.672 -3.974 -1.527 1.00 0.00 C ATOM 412 O TYR A 27 -5.101 -5.124 -1.478 1.00 0.00 O ATOM 413 CB TYR A 27 -6.250 -2.193 -0.550 1.00 0.00 C ATOM 414 CG TYR A 27 -6.574 -1.747 -1.968 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.033 -2.697 -2.901 1.00 0.00 C ATOM 416 CD2 TYR A 27 -6.439 -0.400 -2.358 1.00 0.00 C ATOM 417 CE1 TYR A 27 -7.273 -2.334 -4.237 1.00 0.00 C ATOM 418 CE2 TYR A 27 -6.712 -0.023 -3.694 1.00 0.00 C ATOM 419 CZ TYR A 27 -7.102 -0.994 -4.638 1.00 0.00 C ATOM 420 OH TYR A 27 -7.307 -0.665 -5.941 1.00 0.00 O ATOM 0 H TYR A 27 -3.966 -1.145 -0.344 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.098 -3.628 0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.084 -2.791 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.191 -1.306 0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.202 -3.716 -2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.128 0.343 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.587 -3.079 -4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.621 1.011 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.152 0.295 -6.064 1.00 0.00 H new ATOM 430 N ILE A 28 -3.929 -3.561 -2.561 1.00 0.00 N ATOM 431 CA ILE A 28 -3.598 -4.449 -3.685 1.00 0.00 C ATOM 432 C ILE A 28 -2.697 -5.607 -3.237 1.00 0.00 C ATOM 433 O ILE A 28 -2.955 -6.761 -3.588 1.00 0.00 O ATOM 434 CB ILE A 28 -2.999 -3.628 -4.852 1.00 0.00 C ATOM 435 CG1 ILE A 28 -4.148 -2.829 -5.512 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.244 -4.498 -5.871 1.00 0.00 C ATOM 437 CD1 ILE A 28 -3.807 -2.159 -6.844 1.00 0.00 C ATOM 0 H ILE A 28 -3.546 -2.619 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.513 -4.913 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.247 -2.945 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.991 -3.502 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.480 -2.061 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.847 -3.866 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.423 -5.013 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.926 -5.233 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.682 -1.627 -7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.989 -1.454 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.507 -2.918 -7.567 1.00 0.00 H new ATOM 448 N ASN A 29 -1.658 -5.309 -2.443 1.00 0.00 N ATOM 449 CA ASN A 29 -0.767 -6.321 -1.892 1.00 0.00 C ATOM 450 C ASN A 29 -1.528 -7.257 -0.948 1.00 0.00 C ATOM 451 O ASN A 29 -1.417 -8.475 -1.084 1.00 0.00 O ATOM 452 CB ASN A 29 0.417 -5.650 -1.184 1.00 0.00 C ATOM 453 CG ASN A 29 1.503 -6.658 -0.832 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.871 -7.502 -1.635 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.054 -6.601 0.354 1.00 0.00 N ATOM 0 H ASN A 29 -1.418 -4.356 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.374 -6.929 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.834 -4.874 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.068 -5.158 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.790 -7.261 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.748 -5.897 1.025 1.00 0.00 H new ATOM 462 N MET A 30 -2.340 -6.713 -0.032 1.00 0.00 N ATOM 463 CA MET A 30 -3.130 -7.519 0.901 1.00 0.00 C ATOM 464 C MET A 30 -4.166 -8.403 0.190 1.00 0.00 C ATOM 465 O MET A 30 -4.383 -9.537 0.605 1.00 0.00 O ATOM 466 CB MET A 30 -3.743 -6.610 1.985 1.00 0.00 C ATOM 467 CG MET A 30 -5.164 -6.103 1.731 1.00 0.00 C ATOM 468 SD MET A 30 -6.450 -7.263 2.264 1.00 0.00 S ATOM 469 CE MET A 30 -7.883 -6.161 2.275 1.00 0.00 C ATOM 0 H MET A 30 -2.466 -5.707 0.081 1.00 0.00 H new ATOM 0 HA MET A 30 -2.464 -8.225 1.397 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.740 -7.155 2.929 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.091 -5.746 2.114 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.302 -5.155 2.252 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.285 -5.902 0.666 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.768 -6.718 2.583 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.708 -5.343 2.974 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.039 -5.757 1.275 1.00 0.00 H new