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= -0.298 K(o=-0.3,f=-1.8!) 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=-0.028) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.827 13.591 1.320 1.00 0.00 N ATOM 213 CA GLN A 16 -1.993 12.733 1.127 1.00 0.00 C ATOM 214 C GLN A 16 -1.922 12.009 -0.217 1.00 0.00 C ATOM 215 O GLN A 16 -2.369 10.869 -0.319 1.00 0.00 O ATOM 216 CB GLN A 16 -3.278 13.573 1.263 1.00 0.00 C ATOM 217 CG GLN A 16 -4.497 12.796 1.774 1.00 0.00 C ATOM 218 CD GLN A 16 -4.373 12.475 3.264 1.00 0.00 C ATOM 219 OE1 GLN A 16 -3.594 11.627 3.666 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.122 13.121 4.124 1.00 0.00 N ATOM 0 HA GLN A 16 -2.006 11.962 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.083 14.404 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.519 14.004 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.401 13.380 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.603 11.870 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.776 13.832 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.050 12.913 5.120 1.00 0.00 H new ATOM 229 N MET A 17 -1.287 12.615 -1.235 1.00 0.00 N ATOM 230 CA MET A 17 -1.079 12.014 -2.549 1.00 0.00 C ATOM 231 C MET A 17 -0.112 10.837 -2.453 1.00 0.00 C ATOM 232 O MET A 17 -0.403 9.757 -2.975 1.00 0.00 O ATOM 233 CB MET A 17 -0.577 13.092 -3.526 1.00 0.00 C ATOM 234 CG MET A 17 -1.677 13.534 -4.500 1.00 0.00 C ATOM 235 SD MET A 17 -1.564 12.800 -6.154 1.00 0.00 S ATOM 236 CE MET A 17 -0.497 14.027 -6.955 1.00 0.00 C ATOM 0 H MET A 17 -0.899 13.555 -1.158 1.00 0.00 H new ATOM 0 HA MET A 17 -2.022 11.620 -2.928 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.221 13.955 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.273 12.706 -4.088 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.647 13.281 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.644 14.619 -4.596 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.320 13.735 -7.990 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.983 15.002 -6.932 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.454 14.083 -6.426 1.00 0.00 H new ATOM 245 N ALA A 18 0.999 11.002 -1.719 1.00 0.00 N ATOM 246 CA ALA A 18 1.934 9.903 -1.503 1.00 0.00 C ATOM 247 C ALA A 18 1.298 8.763 -0.690 1.00 0.00 C ATOM 248 O ALA A 18 1.646 7.594 -0.864 1.00 0.00 O ATOM 249 CB ALA A 18 3.204 10.451 -0.835 1.00 0.00 C ATOM 0 H ALA A 18 1.265 11.879 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 18 2.203 9.468 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.909 9.636 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.661 11.200 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.945 10.906 0.121 1.00 0.00 H new ATOM 255 N ARG A 19 0.316 9.100 0.156 1.00 0.00 N ATOM 256 CA ARG A 19 -0.424 8.144 0.976 1.00 0.00 C ATOM 257 C ARG A 19 -1.481 7.388 0.180 1.00 0.00 C ATOM 258 O ARG A 19 -1.550 6.175 0.321 1.00 0.00 O ATOM 259 CB ARG A 19 -1.058 8.858 2.186 1.00 0.00 C ATOM 260 CG ARG A 19 -0.504 8.329 3.513 1.00 0.00 C ATOM 261 CD ARG A 19 -0.860 6.854 3.756 1.00 0.00 C ATOM 262 NE ARG A 19 -0.715 6.503 5.179 1.00 0.00 N ATOM 263 CZ ARG A 19 -0.650 5.290 5.711 1.00 0.00 C ATOM 264 NH1 ARG A 19 -0.688 4.207 4.968 1.00 0.00 N ATOM 265 NH2 ARG A 19 -0.552 5.152 7.015 1.00 0.00 N ATOM 0 H ARG A 19 0.011 10.064 0.289 1.00 0.00 H new ATOM 0 HA ARG A 19 0.290 7.402 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.870 9.929 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.139 8.721 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.580 8.443 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.895 8.933 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.884 6.666 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.214 6.216 3.153 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.658 7.285 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.769 4.287 3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.636 3.287 5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.526 5.977 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.502 4.220 7.427 1.00 0.00 H new ATOM 279 N TYR A 20 -2.267 8.075 -0.655 1.00 0.00 N ATOM 280 CA TYR A 20 -3.257 7.498 -1.563 1.00 0.00 C ATOM 281 C TYR A 20 -2.640 6.370 -2.410 1.00 0.00 C ATOM 282 O TYR A 20 -3.158 5.253 -2.429 1.00 0.00 O ATOM 283 CB TYR A 20 -3.833 8.633 -2.438 1.00 0.00 C ATOM 284 CG TYR A 20 -5.179 9.185 -2.006 1.00 0.00 C ATOM 285 CD1 TYR A 20 -5.393 9.618 -0.676 1.00 0.00 C ATOM 286 CD2 TYR A 20 -6.233 9.286 -2.939 1.00 0.00 C ATOM 287 CE1 TYR A 20 -6.646 10.105 -0.284 1.00 0.00 C ATOM 288 CE2 TYR A 20 -7.492 9.772 -2.552 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.711 10.172 -1.209 1.00 0.00 C ATOM 290 OH TYR A 20 -8.932 10.603 -0.800 1.00 0.00 O ATOM 0 H TYR A 20 -2.227 9.092 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.067 7.042 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.115 9.453 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.923 8.267 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.586 9.573 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.069 8.986 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.799 10.432 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.291 9.841 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.554 10.591 -1.557 1.00 0.00 H new ATOM 300 N TYR A 21 -1.493 6.645 -3.046 1.00 0.00 N ATOM 301 CA TYR A 21 -0.755 5.656 -3.829 1.00 0.00 C ATOM 302 C TYR A 21 -0.147 4.532 -2.974 1.00 0.00 C ATOM 303 O TYR A 21 -0.216 3.358 -3.341 1.00 0.00 O ATOM 304 CB TYR A 21 0.334 6.383 -4.624 1.00 0.00 C ATOM 305 CG TYR A 21 -0.163 7.027 -5.904 1.00 0.00 C ATOM 306 CD1 TYR A 21 -0.690 6.205 -6.923 1.00 0.00 C ATOM 307 CD2 TYR A 21 -0.060 8.415 -6.112 1.00 0.00 C ATOM 308 CE1 TYR A 21 -1.130 6.765 -8.132 1.00 0.00 C ATOM 309 CE2 TYR A 21 -0.486 8.983 -7.327 1.00 0.00 C ATOM 310 CZ TYR A 21 -1.013 8.157 -8.344 1.00 0.00 C ATOM 311 OH TYR A 21 -1.386 8.681 -9.544 1.00 0.00 O ATOM 0 H TYR A 21 -1.053 7.565 -3.029 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.459 5.164 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.779 7.151 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.125 5.674 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.755 5.138 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.347 9.047 -5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.557 6.134 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.410 10.049 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.247 9.651 -9.535 1.00 0.00 H new ATOM 321 N SER A 22 0.439 4.870 -1.821 1.00 0.00 N ATOM 322 CA SER A 22 1.014 3.894 -0.889 1.00 0.00 C ATOM 323 C SER A 22 -0.047 2.929 -0.347 1.00 0.00 C ATOM 324 O SER A 22 0.175 1.716 -0.289 1.00 0.00 O ATOM 325 CB SER A 22 1.707 4.654 0.246 1.00 0.00 C ATOM 326 OG SER A 22 2.319 3.772 1.161 1.00 0.00 O ATOM 0 H SER A 22 0.528 5.836 -1.506 1.00 0.00 H new ATOM 0 HA SER A 22 1.743 3.280 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.457 5.326 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.978 5.274 0.768 1.00 0.00 H new ATOM 0 HG SER A 22 2.754 4.288 1.872 1.00 0.00 H new ATOM 332 N ALA A 23 -1.227 3.457 -0.013 1.00 0.00 N ATOM 333 CA ALA A 23 -2.392 2.677 0.357 1.00 0.00 C ATOM 334 C ALA A 23 -2.830 1.755 -0.773 1.00 0.00 C ATOM 335 O ALA A 23 -3.041 0.580 -0.505 1.00 0.00 O ATOM 336 CB ALA A 23 -3.529 3.617 0.797 1.00 0.00 C ATOM 0 H ALA A 23 -1.394 4.463 0.006 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.129 2.035 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.402 3.027 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.203 4.206 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.788 4.284 -0.025 1.00 0.00 H new ATOM 342 N LEU A 24 -2.885 2.223 -2.031 1.00 0.00 N ATOM 343 CA LEU A 24 -3.180 1.378 -3.190 1.00 0.00 C ATOM 344 C LEU A 24 -2.213 0.176 -3.272 1.00 0.00 C ATOM 345 O LEU A 24 -2.677 -0.953 -3.441 1.00 0.00 O ATOM 346 CB LEU A 24 -3.189 2.272 -4.452 1.00 0.00 C ATOM 347 CG LEU A 24 -2.873 1.563 -5.782 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.042 0.682 -6.229 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.522 2.547 -6.907 1.00 0.00 C ATOM 0 H LEU A 24 -2.725 3.202 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.167 0.925 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.170 2.739 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.465 3.075 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.998 0.942 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.791 0.194 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.239 -0.075 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.931 1.298 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.308 1.993 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.363 3.219 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.645 3.128 -6.622 1.00 0.00 H new ATOM 361 N ARG A 25 -0.898 0.394 -3.101 1.00 0.00 N ATOM 362 CA ARG A 25 0.095 -0.693 -3.089 1.00 0.00 C ATOM 363 C ARG A 25 -0.236 -1.737 -2.017 1.00 0.00 C ATOM 364 O ARG A 25 -0.346 -2.927 -2.324 1.00 0.00 O ATOM 365 CB ARG A 25 1.498 -0.111 -2.863 1.00 0.00 C ATOM 366 CG ARG A 25 2.620 -1.156 -3.005 1.00 0.00 C ATOM 367 CD ARG A 25 3.150 -1.267 -4.443 1.00 0.00 C ATOM 368 NE ARG A 25 4.627 -1.332 -4.464 1.00 0.00 N ATOM 369 CZ ARG A 25 5.467 -0.317 -4.265 1.00 0.00 C ATOM 370 NH1 ARG A 25 5.021 0.902 -4.047 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.767 -0.504 -4.264 1.00 0.00 N ATOM 0 H ARG A 25 -0.496 1.322 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 25 0.068 -1.196 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.669 0.695 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.545 0.330 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.442 -0.893 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.248 -2.129 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.737 -2.157 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.813 -0.409 -5.025 1.00 0.00 H new ATOM 0 HE ARG A 25 5.044 -2.244 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.017 1.082 -4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.679 1.667 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.148 -1.438 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.396 0.284 -4.110 1.00 0.00 H new ATOM 385 N ARG A 26 -0.392 -1.294 -0.757 1.00 0.00 N ATOM 386 CA ARG A 26 -0.690 -2.189 0.367 1.00 0.00 C ATOM 387 C ARG A 26 -2.048 -2.875 0.210 1.00 0.00 C ATOM 388 O ARG A 26 -2.167 -4.062 0.498 1.00 0.00 O ATOM 389 CB ARG A 26 -0.602 -1.407 1.679 1.00 0.00 C ATOM 390 CG ARG A 26 -0.658 -2.344 2.903 1.00 0.00 C ATOM 391 CD ARG A 26 0.352 -1.965 4.000 1.00 0.00 C ATOM 392 NE ARG A 26 1.456 -2.950 4.087 1.00 0.00 N ATOM 393 CZ ARG A 26 2.606 -2.814 4.740 1.00 0.00 C ATOM 394 NH1 ARG A 26 2.929 -1.689 5.342 1.00 0.00 N ATOM 395 NH2 ARG A 26 3.451 -3.815 4.817 1.00 0.00 N ATOM 0 H ARG A 26 -0.315 -0.312 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 26 0.053 -2.986 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.325 -0.834 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.421 -0.690 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.664 -2.325 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.467 -3.367 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.761 -0.976 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.159 -1.904 4.961 1.00 0.00 H new ATOM 0 HE ARG A 26 1.318 -3.830 3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.290 -0.894 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.818 -1.612 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.228 -4.706 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.331 -3.702 5.320 1.00 0.00 H new ATOM 409 N TYR A 27 -3.042 -2.141 -0.283 1.00 0.00 N ATOM 410 CA TYR A 27 -4.394 -2.611 -0.570 1.00 0.00 C ATOM 411 C TYR A 27 -4.388 -3.740 -1.601 1.00 0.00 C ATOM 412 O TYR A 27 -4.950 -4.799 -1.339 1.00 0.00 O ATOM 413 CB TYR A 27 -5.240 -1.432 -1.057 1.00 0.00 C ATOM 414 CG TYR A 27 -6.675 -1.775 -1.388 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.481 -2.397 -0.417 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.209 -1.457 -2.652 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.822 -2.709 -0.708 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.547 -1.772 -2.953 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.360 -2.398 -1.972 1.00 0.00 C ATOM 420 OH TYR A 27 -10.635 -2.761 -2.262 1.00 0.00 O ATOM 0 H TYR A 27 -2.920 -1.153 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.827 -3.017 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.234 -0.657 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.769 -1.007 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.070 -2.635 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.590 -0.970 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.439 -3.187 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.954 -1.539 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.858 -2.474 -3.172 1.00 0.00 H new ATOM 430 N ILE A 28 -3.709 -3.552 -2.741 1.00 0.00 N ATOM 431 CA ILE A 28 -3.495 -4.620 -3.731 1.00 0.00 C ATOM 432 C ILE A 28 -2.858 -5.841 -3.060 1.00 0.00 C ATOM 433 O ILE A 28 -3.370 -6.948 -3.198 1.00 0.00 O ATOM 434 CB ILE A 28 -2.667 -4.108 -4.930 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.528 -3.187 -5.817 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.129 -5.295 -5.758 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.685 -2.336 -6.778 1.00 0.00 C ATOM 0 H ILE A 28 -3.293 -2.658 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.460 -4.931 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.820 -3.537 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.227 -3.793 -6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.123 -2.530 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.548 -4.918 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.494 -5.919 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.965 -5.887 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.342 -1.707 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.004 -1.707 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.110 -2.990 -7.434 1.00 0.00 H new ATOM 448 N ASN A 29 -1.782 -5.646 -2.288 1.00 0.00 N ATOM 449 CA ASN A 29 -1.115 -6.742 -1.585 1.00 0.00 C ATOM 450 C ASN A 29 -2.071 -7.492 -0.639 1.00 0.00 C ATOM 451 O ASN A 29 -2.112 -8.717 -0.641 1.00 0.00 O ATOM 452 CB ASN A 29 0.105 -6.182 -0.837 1.00 0.00 C ATOM 453 CG ASN A 29 1.251 -7.184 -0.791 1.00 0.00 C ATOM 454 OD1 ASN A 29 1.800 -7.578 -1.802 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.679 -7.581 0.390 1.00 0.00 N ATOM 0 H ASN A 29 -1.355 -4.732 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.782 -7.479 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.442 -5.267 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.184 -5.914 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.472 -8.219 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.218 -7.250 1.237 1.00 0.00 H new ATOM 462 N MET A 30 -2.872 -6.754 0.152 1.00 0.00 N ATOM 463 CA MET A 30 -3.916 -7.290 1.029 1.00 0.00 C ATOM 464 C MET A 30 -4.997 -8.052 0.244 1.00 0.00 C ATOM 465 O MET A 30 -5.396 -9.138 0.657 1.00 0.00 O ATOM 466 CB MET A 30 -4.532 -6.133 1.832 1.00 0.00 C ATOM 467 CG MET A 30 -5.532 -6.599 2.889 1.00 0.00 C ATOM 468 SD MET A 30 -6.612 -5.255 3.464 1.00 0.00 S ATOM 469 CE MET A 30 -7.433 -6.070 4.854 1.00 0.00 C ATOM 0 H MET A 30 -2.804 -5.737 0.196 1.00 0.00 H new ATOM 0 HA MET A 30 -3.463 -8.012 1.709 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.734 -5.572 2.318 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.031 -5.448 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.144 -7.402 2.477 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.991 -7.015 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.134 -5.377 5.320 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.973 -6.946 4.495 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.687 -6.379 5.586 1.00 0.00 H new