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 X(o=0,f=-0.054) 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= -0.0555 X(o=-0.056,f=-0.54) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -1.106 13.823 1.073 1.00 0.00 N ATOM 213 CA GLN A 16 -2.279 12.949 0.996 1.00 0.00 C ATOM 214 C GLN A 16 -2.219 12.032 -0.237 1.00 0.00 C ATOM 215 O GLN A 16 -2.648 10.886 -0.179 1.00 0.00 O ATOM 216 CB GLN A 16 -3.560 13.805 1.047 1.00 0.00 C ATOM 217 CG GLN A 16 -4.831 12.989 1.382 1.00 0.00 C ATOM 218 CD GLN A 16 -5.543 13.462 2.651 1.00 0.00 C ATOM 219 OE1 GLN A 16 -5.766 14.641 2.880 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.945 12.546 3.520 1.00 0.00 N ATOM 0 HA GLN A 16 -2.290 12.281 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.434 14.590 1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.697 14.298 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.524 13.049 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.560 11.940 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.765 11.558 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.435 12.829 4.369 1.00 0.00 H new ATOM 229 N MET A 17 -1.600 12.489 -1.336 1.00 0.00 N ATOM 230 CA MET A 17 -1.359 11.722 -2.550 1.00 0.00 C ATOM 231 C MET A 17 -0.294 10.653 -2.337 1.00 0.00 C ATOM 232 O MET A 17 -0.470 9.516 -2.784 1.00 0.00 O ATOM 233 CB MET A 17 -0.915 12.689 -3.651 1.00 0.00 C ATOM 234 CG MET A 17 -2.123 13.248 -4.403 1.00 0.00 C ATOM 235 SD MET A 17 -2.510 12.351 -5.929 1.00 0.00 S ATOM 236 CE MET A 17 -2.294 13.683 -7.138 1.00 0.00 C ATOM 0 H MET A 17 -1.242 13.442 -1.397 1.00 0.00 H new ATOM 0 HA MET A 17 -2.279 11.211 -2.834 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.343 13.507 -3.213 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.253 12.174 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.993 13.222 -3.746 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.937 14.295 -4.644 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.495 13.302 -8.139 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.986 14.494 -6.913 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.271 14.055 -7.090 1.00 0.00 H new ATOM 245 N ALA A 18 0.785 10.986 -1.611 1.00 0.00 N ATOM 246 CA ALA A 18 1.824 10.002 -1.318 1.00 0.00 C ATOM 247 C ALA A 18 1.284 8.876 -0.432 1.00 0.00 C ATOM 248 O ALA A 18 1.690 7.715 -0.547 1.00 0.00 O ATOM 249 CB ALA A 18 3.019 10.721 -0.681 1.00 0.00 C ATOM 0 H ALA A 18 0.954 11.915 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 18 2.155 9.528 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.802 9.997 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.404 11.470 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.701 11.208 0.241 1.00 0.00 H new ATOM 255 N ARG A 19 0.294 9.211 0.411 1.00 0.00 N ATOM 256 CA ARG A 19 -0.399 8.264 1.288 1.00 0.00 C ATOM 257 C ARG A 19 -1.424 7.426 0.520 1.00 0.00 C ATOM 258 O ARG A 19 -1.548 6.235 0.789 1.00 0.00 O ATOM 259 CB ARG A 19 -1.010 9.036 2.473 1.00 0.00 C ATOM 260 CG ARG A 19 -0.690 8.381 3.831 1.00 0.00 C ATOM 261 CD ARG A 19 -0.438 9.440 4.917 1.00 0.00 C ATOM 262 NE ARG A 19 -0.835 8.953 6.259 1.00 0.00 N ATOM 263 CZ ARG A 19 -0.237 8.038 7.000 1.00 0.00 C ATOM 264 NH1 ARG A 19 0.887 7.463 6.633 1.00 0.00 N ATOM 265 NH2 ARG A 19 -0.785 7.673 8.132 1.00 0.00 N ATOM 0 H ARG A 19 -0.051 10.167 0.501 1.00 0.00 H new ATOM 0 HA ARG A 19 0.314 7.542 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.634 10.059 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.091 9.093 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.518 7.739 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.188 7.743 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.618 9.709 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.996 10.346 4.679 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.672 9.376 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.326 7.720 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.320 6.760 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.664 8.094 8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.333 6.967 8.713 1.00 0.00 H new ATOM 279 N TYR A 20 -2.096 8.016 -0.469 1.00 0.00 N ATOM 280 CA TYR A 20 -3.050 7.366 -1.369 1.00 0.00 C ATOM 281 C TYR A 20 -2.397 6.277 -2.226 1.00 0.00 C ATOM 282 O TYR A 20 -2.804 5.118 -2.181 1.00 0.00 O ATOM 283 CB TYR A 20 -3.686 8.436 -2.267 1.00 0.00 C ATOM 284 CG TYR A 20 -4.618 7.880 -3.321 1.00 0.00 C ATOM 285 CD1 TYR A 20 -5.843 7.299 -2.927 1.00 0.00 C ATOM 286 CD2 TYR A 20 -4.243 7.898 -4.680 1.00 0.00 C ATOM 287 CE1 TYR A 20 -6.691 6.733 -3.894 1.00 0.00 C ATOM 288 CE2 TYR A 20 -5.084 7.322 -5.651 1.00 0.00 C ATOM 289 CZ TYR A 20 -6.309 6.730 -5.251 1.00 0.00 C ATOM 290 OH TYR A 20 -7.099 6.112 -6.166 1.00 0.00 O ATOM 0 H TYR A 20 -1.985 9.009 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.810 6.873 -0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.238 9.138 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.894 9.001 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.128 7.290 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.310 8.354 -4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.635 6.300 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.798 7.331 -6.693 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.699 6.199 -7.056 1.00 0.00 H new ATOM 300 N TYR A 21 -1.366 6.643 -2.998 1.00 0.00 N ATOM 301 CA TYR A 21 -0.632 5.700 -3.846 1.00 0.00 C ATOM 302 C TYR A 21 -0.103 4.497 -3.049 1.00 0.00 C ATOM 303 O TYR A 21 -0.276 3.342 -3.450 1.00 0.00 O ATOM 304 CB TYR A 21 0.512 6.453 -4.536 1.00 0.00 C ATOM 305 CG TYR A 21 1.419 5.567 -5.372 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.404 4.780 -4.742 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.263 5.502 -6.773 1.00 0.00 C ATOM 308 CE1 TYR A 21 3.179 3.879 -5.487 1.00 0.00 C ATOM 309 CE2 TYR A 21 2.059 4.621 -7.532 1.00 0.00 C ATOM 310 CZ TYR A 21 3.006 3.794 -6.887 1.00 0.00 C ATOM 311 OH TYR A 21 3.737 2.885 -7.581 1.00 0.00 O ATOM 0 H TYR A 21 -1.019 7.601 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.313 5.293 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.090 7.229 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.112 6.956 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.563 4.871 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.533 6.128 -7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.906 3.252 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.945 4.578 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 21 3.510 2.941 -8.533 1.00 0.00 H new ATOM 321 N SER A 22 0.521 4.763 -1.892 1.00 0.00 N ATOM 322 CA SER A 22 1.027 3.732 -0.988 1.00 0.00 C ATOM 323 C SER A 22 -0.102 2.816 -0.502 1.00 0.00 C ATOM 324 O SER A 22 0.053 1.591 -0.498 1.00 0.00 O ATOM 325 CB SER A 22 1.727 4.403 0.197 1.00 0.00 C ATOM 326 OG SER A 22 2.167 3.445 1.133 1.00 0.00 O ATOM 0 H SER A 22 0.688 5.712 -1.558 1.00 0.00 H new ATOM 0 HA SER A 22 1.741 3.109 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.577 4.985 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.043 5.101 0.680 1.00 0.00 H new ATOM 0 HG SER A 22 2.612 3.898 1.880 1.00 0.00 H new ATOM 332 N ALA A 23 -1.268 3.400 -0.183 1.00 0.00 N ATOM 333 CA ALA A 23 -2.464 2.639 0.142 1.00 0.00 C ATOM 334 C ALA A 23 -2.878 1.739 -1.018 1.00 0.00 C ATOM 335 O ALA A 23 -3.270 0.623 -0.743 1.00 0.00 O ATOM 336 CB ALA A 23 -3.625 3.555 0.544 1.00 0.00 C ATOM 0 H ALA A 23 -1.398 4.411 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.219 2.010 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.501 2.950 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.341 4.139 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.860 4.228 -0.281 1.00 0.00 H new ATOM 342 N LEU A 24 -2.749 2.163 -2.279 1.00 0.00 N ATOM 343 CA LEU A 24 -3.035 1.312 -3.434 1.00 0.00 C ATOM 344 C LEU A 24 -2.112 0.088 -3.432 1.00 0.00 C ATOM 345 O LEU A 24 -2.592 -1.045 -3.440 1.00 0.00 O ATOM 346 CB LEU A 24 -2.915 2.094 -4.757 1.00 0.00 C ATOM 347 CG LEU A 24 -4.020 1.845 -5.816 1.00 0.00 C ATOM 348 CD1 LEU A 24 -3.481 2.062 -7.242 1.00 0.00 C ATOM 349 CD2 LEU A 24 -4.706 0.476 -5.727 1.00 0.00 C ATOM 0 H LEU A 24 -2.444 3.104 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.067 0.970 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.902 3.159 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.952 1.855 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.788 2.583 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.278 1.880 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.125 3.087 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.658 1.372 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.462 0.397 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.964 -0.312 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.179 0.369 -4.751 1.00 0.00 H new ATOM 361 N ARG A 25 -0.783 0.303 -3.370 1.00 0.00 N ATOM 362 CA ARG A 25 0.188 -0.794 -3.351 1.00 0.00 C ATOM 363 C ARG A 25 -0.129 -1.786 -2.233 1.00 0.00 C ATOM 364 O ARG A 25 -0.099 -2.999 -2.454 1.00 0.00 O ATOM 365 CB ARG A 25 1.632 -0.264 -3.222 1.00 0.00 C ATOM 366 CG ARG A 25 2.539 -0.663 -4.395 1.00 0.00 C ATOM 367 CD ARG A 25 2.487 -2.162 -4.754 1.00 0.00 C ATOM 368 NE ARG A 25 3.797 -2.828 -4.664 1.00 0.00 N ATOM 369 CZ ARG A 25 4.107 -3.990 -5.224 1.00 0.00 C ATOM 370 NH1 ARG A 25 3.231 -4.663 -5.938 1.00 0.00 N ATOM 371 NH2 ARG A 25 5.306 -4.502 -5.081 1.00 0.00 N ATOM 0 H ARG A 25 -0.363 1.232 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 25 0.111 -1.319 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.606 0.823 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.066 -0.637 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.256 -0.081 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.567 -0.395 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.785 -2.664 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.100 -2.273 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 25 4.526 -2.358 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.290 -4.293 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.493 -5.554 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.011 -4.006 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.534 -5.396 -5.516 1.00 0.00 H new ATOM 385 N ARG A 26 -0.469 -1.276 -1.044 1.00 0.00 N ATOM 386 CA ARG A 26 -0.838 -2.094 0.109 1.00 0.00 C ATOM 387 C ARG A 26 -2.181 -2.793 -0.078 1.00 0.00 C ATOM 388 O ARG A 26 -2.240 -4.006 0.087 1.00 0.00 O ATOM 389 CB ARG A 26 -0.821 -1.224 1.367 1.00 0.00 C ATOM 390 CG ARG A 26 -0.685 -2.107 2.613 1.00 0.00 C ATOM 391 CD ARG A 26 -0.456 -1.224 3.843 1.00 0.00 C ATOM 392 NE ARG A 26 -1.235 -1.682 4.998 1.00 0.00 N ATOM 393 CZ ARG A 26 -1.292 -1.092 6.187 1.00 0.00 C ATOM 394 NH1 ARG A 26 -0.590 -0.018 6.456 1.00 0.00 N ATOM 395 NH2 ARG A 26 -2.064 -1.564 7.135 1.00 0.00 N ATOM 0 H ARG A 26 -0.495 -0.274 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.104 -2.892 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.008 -0.518 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.737 -0.637 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.585 -2.708 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.146 -2.801 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.604 -1.224 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.728 -0.195 3.607 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.784 -2.533 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.019 0.385 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.653 0.415 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.631 -2.395 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.098 -1.101 8.043 1.00 0.00 H new ATOM 409 N TYR A 27 -3.237 -2.059 -0.438 1.00 0.00 N ATOM 410 CA TYR A 27 -4.583 -2.543 -0.740 1.00 0.00 C ATOM 411 C TYR A 27 -4.562 -3.656 -1.785 1.00 0.00 C ATOM 412 O TYR A 27 -5.364 -4.576 -1.680 1.00 0.00 O ATOM 413 CB TYR A 27 -5.458 -1.368 -1.220 1.00 0.00 C ATOM 414 CG TYR A 27 -6.880 -1.734 -1.603 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.887 -1.776 -0.616 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.194 -2.032 -2.948 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.195 -2.150 -0.964 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.508 -2.413 -3.291 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.504 -2.494 -2.299 1.00 0.00 C ATOM 420 OH TYR A 27 -10.748 -2.933 -2.628 1.00 0.00 O ATOM 0 H TYR A 27 -3.168 -1.046 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.007 -2.964 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.493 -0.617 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.975 -0.904 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.652 -1.521 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.431 -1.968 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.967 -2.175 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.751 -2.643 -4.318 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.784 -3.123 -3.589 1.00 0.00 H new ATOM 430 N ILE A 28 -3.615 -3.636 -2.727 1.00 0.00 N ATOM 431 CA ILE A 28 -3.395 -4.729 -3.674 1.00 0.00 C ATOM 432 C ILE A 28 -2.675 -5.912 -2.998 1.00 0.00 C ATOM 433 O ILE A 28 -3.096 -7.052 -3.173 1.00 0.00 O ATOM 434 CB ILE A 28 -2.657 -4.182 -4.911 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.572 -3.181 -5.654 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.267 -5.319 -5.871 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.813 -2.314 -6.666 1.00 0.00 C ATOM 0 H ILE A 28 -2.974 -2.853 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.350 -5.130 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.747 -3.685 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.358 -3.731 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.062 -2.535 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.748 -4.904 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.611 -6.021 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.166 -5.839 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.509 -1.632 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.045 -1.739 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.345 -2.954 -7.415 1.00 0.00 H new ATOM 448 N ASN A 29 -1.632 -5.652 -2.196 1.00 0.00 N ATOM 449 CA ASN A 29 -0.889 -6.668 -1.444 1.00 0.00 C ATOM 450 C ASN A 29 -1.769 -7.401 -0.401 1.00 0.00 C ATOM 451 O ASN A 29 -1.512 -8.564 -0.084 1.00 0.00 O ATOM 452 CB ASN A 29 0.331 -6.012 -0.757 1.00 0.00 C ATOM 453 CG ASN A 29 1.626 -6.810 -0.881 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.914 -7.451 -1.880 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.475 -6.751 0.123 1.00 0.00 N ATOM 0 H ASN A 29 -1.275 -4.708 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.553 -7.424 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.486 -5.022 -1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.105 -5.870 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.369 -7.239 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.239 -6.217 0.959 1.00 0.00 H new ATOM 462 N MET A 30 -2.806 -6.732 0.123 1.00 0.00 N ATOM 463 CA MET A 30 -3.773 -7.281 1.074 1.00 0.00 C ATOM 464 C MET A 30 -5.033 -7.837 0.399 1.00 0.00 C ATOM 465 O MET A 30 -5.626 -8.761 0.942 1.00 0.00 O ATOM 466 CB MET A 30 -4.145 -6.221 2.126 1.00 0.00 C ATOM 467 CG MET A 30 -4.726 -4.925 1.585 1.00 0.00 C ATOM 468 SD MET A 30 -6.286 -4.328 2.294 1.00 0.00 S ATOM 469 CE MET A 30 -7.440 -5.581 1.672 1.00 0.00 C ATOM 0 H MET A 30 -2.998 -5.759 -0.115 1.00 0.00 H new ATOM 0 HA MET A 30 -3.288 -8.126 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.866 -6.659 2.816 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.253 -5.983 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.978 -4.143 1.718 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.872 -5.047 0.512 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.447 -5.354 2.022 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.426 -5.579 0.582 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.142 -6.564 2.037 1.00 0.00 H new