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=-0.31) 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= -0.0421 K(o=-0.042,f=-1.1!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.740 13.569 1.723 1.00 0.00 N ATOM 213 CA GLN A 16 -1.929 12.756 1.472 1.00 0.00 C ATOM 214 C GLN A 16 -1.849 12.022 0.125 1.00 0.00 C ATOM 215 O GLN A 16 -2.332 10.899 0.009 1.00 0.00 O ATOM 216 CB GLN A 16 -3.137 13.685 1.566 1.00 0.00 C ATOM 217 CG GLN A 16 -4.478 13.025 1.207 1.00 0.00 C ATOM 218 CD GLN A 16 -4.822 11.817 2.070 1.00 0.00 C ATOM 219 OE1 GLN A 16 -4.404 11.679 3.208 1.00 0.00 O ATOM 220 NE2 GLN A 16 -5.625 10.908 1.554 1.00 0.00 N ATOM 0 HA GLN A 16 -2.015 11.963 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.200 14.077 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.977 14.537 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.273 13.765 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.452 12.717 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.977 11.019 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.895 10.093 2.106 1.00 0.00 H new ATOM 229 N MET A 17 -1.188 12.604 -0.884 1.00 0.00 N ATOM 230 CA MET A 17 -1.039 12.015 -2.212 1.00 0.00 C ATOM 231 C MET A 17 -0.069 10.831 -2.199 1.00 0.00 C ATOM 232 O MET A 17 -0.362 9.779 -2.768 1.00 0.00 O ATOM 233 CB MET A 17 -0.536 13.096 -3.181 1.00 0.00 C ATOM 234 CG MET A 17 -1.672 13.613 -4.060 1.00 0.00 C ATOM 235 SD MET A 17 -2.293 12.367 -5.227 1.00 0.00 S ATOM 236 CE MET A 17 -3.275 13.420 -6.328 1.00 0.00 C ATOM 0 H MET A 17 -0.735 13.514 -0.794 1.00 0.00 H new ATOM 0 HA MET A 17 -2.009 11.639 -2.536 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.103 13.922 -2.617 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.257 12.687 -3.808 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.492 13.947 -3.424 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.325 14.483 -4.617 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.729 12.808 -7.107 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.058 13.916 -5.754 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.630 14.170 -6.785 1.00 0.00 H new ATOM 245 N ALA A 18 1.062 10.969 -1.491 1.00 0.00 N ATOM 246 CA ALA A 18 1.989 9.859 -1.302 1.00 0.00 C ATOM 247 C ALA A 18 1.319 8.699 -0.557 1.00 0.00 C ATOM 248 O ALA A 18 1.598 7.535 -0.845 1.00 0.00 O ATOM 249 CB ALA A 18 3.231 10.367 -0.571 1.00 0.00 C ATOM 0 H ALA A 18 1.350 11.839 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 18 2.291 9.467 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.930 9.543 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.708 11.147 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.942 10.773 0.398 1.00 0.00 H new ATOM 255 N ARG A 19 0.377 9.017 0.345 1.00 0.00 N ATOM 256 CA ARG A 19 -0.423 8.007 1.043 1.00 0.00 C ATOM 257 C ARG A 19 -1.493 7.387 0.152 1.00 0.00 C ATOM 258 O ARG A 19 -1.737 6.194 0.271 1.00 0.00 O ATOM 259 CB ARG A 19 -1.023 8.564 2.347 1.00 0.00 C ATOM 260 CG ARG A 19 -0.679 7.630 3.521 1.00 0.00 C ATOM 261 CD ARG A 19 0.772 7.812 3.996 1.00 0.00 C ATOM 262 NE ARG A 19 0.893 8.978 4.889 1.00 0.00 N ATOM 263 CZ ARG A 19 2.001 9.523 5.371 1.00 0.00 C ATOM 264 NH1 ARG A 19 3.193 9.080 5.045 1.00 0.00 N ATOM 265 NH2 ARG A 19 1.896 10.526 6.210 1.00 0.00 N ATOM 0 H ARG A 19 0.152 9.977 0.608 1.00 0.00 H new ATOM 0 HA ARG A 19 0.260 7.201 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.633 9.564 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.105 8.657 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.359 7.825 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.834 6.595 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.103 6.914 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.427 7.940 3.134 1.00 0.00 H new ATOM 0 HE ARG A 19 0.018 9.419 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.287 8.293 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.026 9.522 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.975 10.871 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.736 10.960 6.593 1.00 0.00 H new ATOM 279 N TYR A 20 -2.086 8.156 -0.764 1.00 0.00 N ATOM 280 CA TYR A 20 -3.115 7.713 -1.712 1.00 0.00 C ATOM 281 C TYR A 20 -2.626 6.516 -2.550 1.00 0.00 C ATOM 282 O TYR A 20 -3.266 5.464 -2.588 1.00 0.00 O ATOM 283 CB TYR A 20 -3.498 8.913 -2.597 1.00 0.00 C ATOM 284 CG TYR A 20 -4.760 8.751 -3.413 1.00 0.00 C ATOM 285 CD1 TYR A 20 -4.699 8.209 -4.713 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.987 9.187 -2.884 1.00 0.00 C ATOM 287 CE1 TYR A 20 -5.876 8.099 -5.481 1.00 0.00 C ATOM 288 CE2 TYR A 20 -7.164 9.076 -3.648 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.104 8.530 -4.949 1.00 0.00 C ATOM 290 OH TYR A 20 -8.246 8.418 -5.689 1.00 0.00 O ATOM 0 H TYR A 20 -1.854 9.144 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.995 7.365 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.610 9.790 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.671 9.117 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.754 7.879 -5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.027 9.608 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.834 7.684 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.108 9.407 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.005 8.761 -5.173 1.00 0.00 H new ATOM 300 N TYR A 21 -1.460 6.671 -3.188 1.00 0.00 N ATOM 301 CA TYR A 21 -0.838 5.621 -4.000 1.00 0.00 C ATOM 302 C TYR A 21 -0.234 4.496 -3.140 1.00 0.00 C ATOM 303 O TYR A 21 -0.354 3.318 -3.478 1.00 0.00 O ATOM 304 CB TYR A 21 0.224 6.259 -4.898 1.00 0.00 C ATOM 305 CG TYR A 21 -0.321 6.868 -6.177 1.00 0.00 C ATOM 306 CD1 TYR A 21 -1.143 8.015 -6.135 1.00 0.00 C ATOM 307 CD2 TYR A 21 -0.021 6.273 -7.418 1.00 0.00 C ATOM 308 CE1 TYR A 21 -1.699 8.540 -7.319 1.00 0.00 C ATOM 309 CE2 TYR A 21 -0.556 6.805 -8.607 1.00 0.00 C ATOM 310 CZ TYR A 21 -1.403 7.925 -8.558 1.00 0.00 C ATOM 311 OH TYR A 21 -1.963 8.403 -9.701 1.00 0.00 O ATOM 0 H TYR A 21 -0.919 7.535 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.609 5.152 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.742 7.034 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.965 5.503 -5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.347 8.494 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.622 5.406 -7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.345 9.404 -7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.315 6.352 -9.557 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.656 7.870 -10.464 1.00 0.00 H new ATOM 321 N SER A 22 0.381 4.843 -2.003 1.00 0.00 N ATOM 322 CA SER A 22 0.938 3.880 -1.042 1.00 0.00 C ATOM 323 C SER A 22 -0.155 2.948 -0.493 1.00 0.00 C ATOM 324 O SER A 22 0.047 1.733 -0.415 1.00 0.00 O ATOM 325 CB SER A 22 1.631 4.661 0.082 1.00 0.00 C ATOM 326 OG SER A 22 2.208 3.841 1.081 1.00 0.00 O ATOM 0 H SER A 22 0.508 5.815 -1.719 1.00 0.00 H new ATOM 0 HA SER A 22 1.668 3.242 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.409 5.289 -0.352 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.906 5.328 0.548 1.00 0.00 H new ATOM 0 HG SER A 22 2.632 4.404 1.762 1.00 0.00 H new ATOM 332 N ALA A 23 -1.338 3.494 -0.191 1.00 0.00 N ATOM 333 CA ALA A 23 -2.513 2.717 0.177 1.00 0.00 C ATOM 334 C ALA A 23 -2.939 1.779 -0.947 1.00 0.00 C ATOM 335 O ALA A 23 -3.175 0.615 -0.653 1.00 0.00 O ATOM 336 CB ALA A 23 -3.671 3.637 0.594 1.00 0.00 C ATOM 0 H ALA A 23 -1.502 4.501 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.243 2.100 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.537 3.032 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.367 4.239 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.932 4.293 -0.236 1.00 0.00 H new ATOM 342 N LEU A 24 -2.977 2.223 -2.213 1.00 0.00 N ATOM 343 CA LEU A 24 -3.275 1.354 -3.353 1.00 0.00 C ATOM 344 C LEU A 24 -2.295 0.172 -3.402 1.00 0.00 C ATOM 345 O LEU A 24 -2.725 -0.972 -3.544 1.00 0.00 O ATOM 346 CB LEU A 24 -3.330 2.223 -4.634 1.00 0.00 C ATOM 347 CG LEU A 24 -2.991 1.506 -5.954 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.129 0.586 -6.406 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.694 2.502 -7.079 1.00 0.00 C ATOM 0 H LEU A 24 -2.802 3.194 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.255 0.886 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.332 2.644 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.642 3.059 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.101 0.910 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.853 0.098 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.311 -0.170 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.034 1.174 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.459 1.958 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.567 3.133 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.844 3.125 -6.799 1.00 0.00 H new ATOM 361 N ARG A 25 -0.990 0.422 -3.224 1.00 0.00 N ATOM 362 CA ARG A 25 0.033 -0.629 -3.202 1.00 0.00 C ATOM 363 C ARG A 25 -0.225 -1.664 -2.105 1.00 0.00 C ATOM 364 O ARG A 25 -0.245 -2.866 -2.380 1.00 0.00 O ATOM 365 CB ARG A 25 1.440 0.001 -3.062 1.00 0.00 C ATOM 366 CG ARG A 25 2.316 -0.297 -4.278 1.00 0.00 C ATOM 367 CD ARG A 25 2.636 -1.798 -4.432 1.00 0.00 C ATOM 368 NE ARG A 25 4.067 -2.089 -4.248 1.00 0.00 N ATOM 369 CZ ARG A 25 4.676 -3.234 -4.528 1.00 0.00 C ATOM 370 NH1 ARG A 25 4.021 -4.277 -4.983 1.00 0.00 N ATOM 371 NH2 ARG A 25 5.978 -3.349 -4.356 1.00 0.00 N ATOM 0 H ARG A 25 -0.615 1.361 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.018 -1.164 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.345 1.080 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.923 -0.382 -2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.813 0.056 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.248 0.262 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.056 -2.367 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.324 -2.133 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 25 4.645 -1.339 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.013 -4.222 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.520 -5.143 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.518 -2.557 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.445 -4.230 -4.572 1.00 0.00 H new ATOM 385 N ARG A 26 -0.421 -1.203 -0.864 1.00 0.00 N ATOM 386 CA ARG A 26 -0.680 -2.094 0.271 1.00 0.00 C ATOM 387 C ARG A 26 -2.030 -2.804 0.148 1.00 0.00 C ATOM 388 O ARG A 26 -2.116 -3.995 0.433 1.00 0.00 O ATOM 389 CB ARG A 26 -0.567 -1.304 1.580 1.00 0.00 C ATOM 390 CG ARG A 26 -0.152 -2.230 2.729 1.00 0.00 C ATOM 391 CD ARG A 26 0.035 -1.418 4.013 1.00 0.00 C ATOM 392 NE ARG A 26 0.104 -2.289 5.201 1.00 0.00 N ATOM 393 CZ ARG A 26 -0.042 -1.901 6.461 1.00 0.00 C ATOM 394 NH1 ARG A 26 -0.232 -0.636 6.765 1.00 0.00 N ATOM 395 NH2 ARG A 26 -0.016 -2.777 7.438 1.00 0.00 N ATOM 0 H ARG A 26 -0.405 -0.213 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 26 0.074 -2.881 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.164 -0.504 1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.522 -0.833 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.911 -2.997 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.775 -2.745 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.948 -0.827 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.791 -0.716 4.124 1.00 0.00 H new ATOM 0 HE ARG A 26 0.280 -3.281 5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.269 0.066 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.342 -0.357 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.118 -3.767 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.129 -2.468 8.403 1.00 0.00 H new ATOM 409 N TYR A 27 -3.064 -2.097 -0.328 1.00 0.00 N ATOM 410 CA TYR A 27 -4.397 -2.614 -0.595 1.00 0.00 C ATOM 411 C TYR A 27 -4.379 -3.762 -1.602 1.00 0.00 C ATOM 412 O TYR A 27 -4.948 -4.815 -1.334 1.00 0.00 O ATOM 413 CB TYR A 27 -5.281 -1.462 -1.097 1.00 0.00 C ATOM 414 CG TYR A 27 -6.709 -1.832 -1.447 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.496 -2.529 -0.514 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.257 -1.444 -2.688 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.838 -2.835 -0.816 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.595 -1.737 -2.990 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.399 -2.427 -2.045 1.00 0.00 C ATOM 420 OH TYR A 27 -10.704 -2.708 -2.298 1.00 0.00 O ATOM 0 H TYR A 27 -2.981 -1.104 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.804 -3.022 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.304 -0.686 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.812 -1.026 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.073 -2.830 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.645 -0.920 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.439 -3.383 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.013 -1.438 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.947 -2.364 -3.183 1.00 0.00 H new ATOM 430 N ILE A 28 -3.658 -3.597 -2.720 1.00 0.00 N ATOM 431 CA ILE A 28 -3.418 -4.676 -3.687 1.00 0.00 C ATOM 432 C ILE A 28 -2.771 -5.886 -2.994 1.00 0.00 C ATOM 433 O ILE A 28 -3.244 -7.007 -3.167 1.00 0.00 O ATOM 434 CB ILE A 28 -2.569 -4.171 -4.877 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.396 -3.214 -5.764 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.082 -5.354 -5.741 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.518 -2.356 -6.686 1.00 0.00 C ATOM 0 H ILE A 28 -3.225 -2.711 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.377 -5.002 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.708 -3.641 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.092 -3.795 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.995 -2.562 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.487 -4.977 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.473 -6.022 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.942 -5.900 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.151 -1.702 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.840 -1.751 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.939 -3.004 -7.344 1.00 0.00 H new ATOM 448 N ASN A 29 -1.729 -5.673 -2.183 1.00 0.00 N ATOM 449 CA ASN A 29 -1.106 -6.763 -1.434 1.00 0.00 C ATOM 450 C ASN A 29 -2.123 -7.457 -0.507 1.00 0.00 C ATOM 451 O ASN A 29 -2.253 -8.674 -0.525 1.00 0.00 O ATOM 452 CB ASN A 29 0.109 -6.223 -0.665 1.00 0.00 C ATOM 453 CG ASN A 29 1.064 -7.327 -0.232 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.701 -8.477 -0.077 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.313 -7.007 0.003 1.00 0.00 N ATOM 0 H ASN A 29 -1.303 -4.759 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.758 -7.526 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.644 -5.510 -1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.235 -5.679 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.973 -7.720 0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.626 -6.044 -0.125 1.00 0.00 H new ATOM 462 N MET A 30 -2.904 -6.702 0.272 1.00 0.00 N ATOM 463 CA MET A 30 -3.958 -7.243 1.142 1.00 0.00 C ATOM 464 C MET A 30 -5.039 -8.020 0.381 1.00 0.00 C ATOM 465 O MET A 30 -5.530 -9.028 0.894 1.00 0.00 O ATOM 466 CB MET A 30 -4.568 -6.095 1.953 1.00 0.00 C ATOM 467 CG MET A 30 -3.638 -5.710 3.110 1.00 0.00 C ATOM 468 SD MET A 30 -3.556 -3.945 3.514 1.00 0.00 S ATOM 469 CE MET A 30 -5.109 -3.735 4.415 1.00 0.00 C ATOM 0 H MET A 30 -2.823 -5.686 0.318 1.00 0.00 H new ATOM 0 HA MET A 30 -3.497 -7.972 1.809 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.734 -5.232 1.308 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.541 -6.393 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.957 -6.251 4.001 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.632 -6.054 2.871 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.208 -2.697 4.733 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.945 -3.997 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.112 -4.384 5.290 1.00 0.00 H new