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) 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=-0.36) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 212 N GLN A 16 -0.845 13.665 1.190 1.00 0.00 N ATOM 213 CA GLN A 16 -2.049 12.846 1.030 1.00 0.00 C ATOM 214 C GLN A 16 -1.950 11.991 -0.239 1.00 0.00 C ATOM 215 O GLN A 16 -2.360 10.832 -0.234 1.00 0.00 O ATOM 216 CB GLN A 16 -3.289 13.751 1.037 1.00 0.00 C ATOM 217 CG GLN A 16 -4.608 12.976 1.061 1.00 0.00 C ATOM 218 CD GLN A 16 -5.783 13.880 1.431 1.00 0.00 C ATOM 219 OE1 GLN A 16 -5.975 14.957 0.885 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.615 13.467 2.370 1.00 0.00 N ATOM 0 HA GLN A 16 -2.141 12.153 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.246 14.407 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.268 14.390 0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.786 12.529 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.537 12.158 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.461 12.570 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.412 14.046 2.636 1.00 0.00 H new ATOM 229 N MET A 17 -1.342 12.528 -1.301 1.00 0.00 N ATOM 230 CA MET A 17 -1.141 11.831 -2.570 1.00 0.00 C ATOM 231 C MET A 17 -0.140 10.678 -2.432 1.00 0.00 C ATOM 232 O MET A 17 -0.432 9.571 -2.887 1.00 0.00 O ATOM 233 CB MET A 17 -0.699 12.857 -3.627 1.00 0.00 C ATOM 234 CG MET A 17 -1.824 13.161 -4.618 1.00 0.00 C ATOM 235 SD MET A 17 -1.711 12.211 -6.159 1.00 0.00 S ATOM 236 CE MET A 17 -1.158 13.536 -7.266 1.00 0.00 C ATOM 0 H MET A 17 -0.970 13.478 -1.300 1.00 0.00 H new ATOM 0 HA MET A 17 -2.078 11.373 -2.886 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.388 13.778 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.168 12.475 -4.166 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.782 12.953 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.810 14.225 -4.855 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.031 13.139 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.902 14.332 -7.280 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.208 13.934 -6.911 1.00 0.00 H new ATOM 245 N ALA A 18 0.979 10.910 -1.734 1.00 0.00 N ATOM 246 CA ALA A 18 1.921 9.838 -1.430 1.00 0.00 C ATOM 247 C ALA A 18 1.293 8.748 -0.547 1.00 0.00 C ATOM 248 O ALA A 18 1.665 7.577 -0.638 1.00 0.00 O ATOM 249 CB ALA A 18 3.167 10.449 -0.781 1.00 0.00 C ATOM 0 H ALA A 18 1.248 11.825 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 18 2.204 9.340 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.881 9.659 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.624 11.160 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.884 10.964 0.137 1.00 0.00 H new ATOM 255 N ARG A 19 0.286 9.117 0.256 1.00 0.00 N ATOM 256 CA ARG A 19 -0.458 8.181 1.093 1.00 0.00 C ATOM 257 C ARG A 19 -1.442 7.355 0.278 1.00 0.00 C ATOM 258 O ARG A 19 -1.429 6.138 0.407 1.00 0.00 O ATOM 259 CB ARG A 19 -1.131 8.915 2.253 1.00 0.00 C ATOM 260 CG ARG A 19 -0.570 8.447 3.599 1.00 0.00 C ATOM 261 CD ARG A 19 -1.013 7.024 3.971 1.00 0.00 C ATOM 262 NE ARG A 19 -2.353 7.001 4.570 1.00 0.00 N ATOM 263 CZ ARG A 19 -2.849 6.054 5.357 1.00 0.00 C ATOM 264 NH1 ARG A 19 -2.180 4.961 5.633 1.00 0.00 N ATOM 265 NH2 ARG A 19 -4.039 6.206 5.902 1.00 0.00 N ATOM 0 H ARG A 19 -0.034 10.082 0.340 1.00 0.00 H new ATOM 0 HA ARG A 19 0.250 7.472 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.979 9.989 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.207 8.741 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.519 8.486 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.890 9.137 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.004 6.397 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.296 6.593 4.670 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.963 7.791 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.250 4.819 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.590 4.252 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.579 7.052 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.420 5.478 6.507 1.00 0.00 H new ATOM 279 N TYR A 20 -2.251 7.988 -0.568 1.00 0.00 N ATOM 280 CA TYR A 20 -3.225 7.348 -1.451 1.00 0.00 C ATOM 281 C TYR A 20 -2.577 6.278 -2.321 1.00 0.00 C ATOM 282 O TYR A 20 -3.034 5.136 -2.362 1.00 0.00 O ATOM 283 CB TYR A 20 -3.887 8.438 -2.312 1.00 0.00 C ATOM 284 CG TYR A 20 -5.209 8.971 -1.783 1.00 0.00 C ATOM 285 CD1 TYR A 20 -5.298 9.471 -0.468 1.00 0.00 C ATOM 286 CD2 TYR A 20 -6.353 8.986 -2.611 1.00 0.00 C ATOM 287 CE1 TYR A 20 -6.521 9.983 0.017 1.00 0.00 C ATOM 288 CE2 TYR A 20 -7.583 9.489 -2.126 1.00 0.00 C ATOM 289 CZ TYR A 20 -7.660 9.988 -0.807 1.00 0.00 C ATOM 290 OH TYR A 20 -8.839 10.441 -0.277 1.00 0.00 O ATOM 0 H TYR A 20 -2.246 9.004 -0.662 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.980 6.841 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.192 9.272 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.050 8.038 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.427 9.462 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.288 8.611 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.582 10.372 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.457 9.491 -2.760 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.544 10.390 -0.956 1.00 0.00 H new ATOM 300 N TYR A 21 -1.462 6.625 -2.976 1.00 0.00 N ATOM 301 CA TYR A 21 -0.684 5.699 -3.790 1.00 0.00 C ATOM 302 C TYR A 21 -0.133 4.526 -2.965 1.00 0.00 C ATOM 303 O TYR A 21 -0.254 3.363 -3.356 1.00 0.00 O ATOM 304 CB TYR A 21 0.451 6.490 -4.450 1.00 0.00 C ATOM 305 CG TYR A 21 1.228 5.715 -5.499 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.070 4.636 -5.133 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.103 6.074 -6.854 1.00 0.00 C ATOM 308 CE1 TYR A 21 2.737 3.893 -6.118 1.00 0.00 C ATOM 309 CE2 TYR A 21 1.806 5.350 -7.842 1.00 0.00 C ATOM 310 CZ TYR A 21 2.611 4.253 -7.479 1.00 0.00 C ATOM 311 OH TYR A 21 3.238 3.555 -8.451 1.00 0.00 O ATOM 0 H TYR A 21 -1.075 7.569 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.329 5.256 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.033 7.384 -4.912 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.142 6.824 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.199 4.384 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.470 6.902 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.346 3.047 -5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.726 5.639 -8.880 1.00 0.00 H new ATOM 0 HH TYR A 21 3.032 3.951 -9.323 1.00 0.00 H new ATOM 321 N SER A 22 0.493 4.821 -1.818 1.00 0.00 N ATOM 322 CA SER A 22 1.045 3.795 -0.927 1.00 0.00 C ATOM 323 C SER A 22 -0.059 2.860 -0.420 1.00 0.00 C ATOM 324 O SER A 22 0.110 1.637 -0.397 1.00 0.00 O ATOM 325 CB SER A 22 1.775 4.471 0.237 1.00 0.00 C ATOM 326 OG SER A 22 2.278 3.500 1.128 1.00 0.00 O ATOM 0 H SER A 22 0.630 5.775 -1.483 1.00 0.00 H new ATOM 0 HA SER A 22 1.757 3.185 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.592 5.084 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.094 5.140 0.763 1.00 0.00 H new ATOM 0 HG SER A 22 2.744 3.944 1.867 1.00 0.00 H new ATOM 332 N ALA A 23 -1.230 3.431 -0.098 1.00 0.00 N ATOM 333 CA ALA A 23 -2.413 2.678 0.273 1.00 0.00 C ATOM 334 C ALA A 23 -2.864 1.774 -0.869 1.00 0.00 C ATOM 335 O ALA A 23 -3.122 0.613 -0.596 1.00 0.00 O ATOM 336 CB ALA A 23 -3.546 3.603 0.727 1.00 0.00 C ATOM 0 H ALA A 23 -1.372 4.441 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.150 2.044 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.417 3.006 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.220 4.181 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.809 4.281 -0.085 1.00 0.00 H new ATOM 342 N LEU A 24 -2.879 2.234 -2.129 1.00 0.00 N ATOM 343 CA LEU A 24 -3.187 1.409 -3.298 1.00 0.00 C ATOM 344 C LEU A 24 -2.239 0.209 -3.379 1.00 0.00 C ATOM 345 O LEU A 24 -2.702 -0.923 -3.535 1.00 0.00 O ATOM 346 CB LEU A 24 -3.178 2.317 -4.550 1.00 0.00 C ATOM 347 CG LEU A 24 -2.903 1.627 -5.896 1.00 0.00 C ATOM 348 CD1 LEU A 24 -4.111 0.802 -6.342 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.503 2.636 -6.985 1.00 0.00 C ATOM 0 H LEU A 24 -2.674 3.205 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.182 0.971 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.144 2.818 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.426 3.092 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.059 0.953 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.892 0.323 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.326 0.039 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.977 1.455 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.317 2.108 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.309 3.355 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.598 3.161 -6.680 1.00 0.00 H new ATOM 361 N ARG A 25 -0.921 0.422 -3.233 1.00 0.00 N ATOM 362 CA ARG A 25 0.059 -0.675 -3.247 1.00 0.00 C ATOM 363 C ARG A 25 -0.251 -1.697 -2.150 1.00 0.00 C ATOM 364 O ARG A 25 -0.338 -2.901 -2.426 1.00 0.00 O ATOM 365 CB ARG A 25 1.487 -0.122 -3.104 1.00 0.00 C ATOM 366 CG ARG A 25 2.541 -1.199 -3.407 1.00 0.00 C ATOM 367 CD ARG A 25 2.797 -1.303 -4.918 1.00 0.00 C ATOM 368 NE ARG A 25 3.544 -2.522 -5.266 1.00 0.00 N ATOM 369 CZ ARG A 25 3.827 -2.937 -6.495 1.00 0.00 C ATOM 370 NH1 ARG A 25 3.482 -2.247 -7.554 1.00 0.00 N ATOM 371 NH2 ARG A 25 4.476 -4.058 -6.686 1.00 0.00 N ATOM 0 H ARG A 25 -0.509 1.346 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.011 -1.188 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.621 0.721 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.632 0.256 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.471 -0.959 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.204 -2.162 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.845 -1.297 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.354 -0.428 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 25 3.874 -3.100 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.982 -1.365 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.714 -2.592 -8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.769 -4.620 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.689 -4.369 -7.634 1.00 0.00 H new ATOM 385 N ARG A 26 -0.411 -1.227 -0.909 1.00 0.00 N ATOM 386 CA ARG A 26 -0.693 -2.091 0.237 1.00 0.00 C ATOM 387 C ARG A 26 -2.048 -2.786 0.131 1.00 0.00 C ATOM 388 O ARG A 26 -2.145 -3.969 0.434 1.00 0.00 O ATOM 389 CB ARG A 26 -0.581 -1.270 1.522 1.00 0.00 C ATOM 390 CG ARG A 26 -0.587 -2.200 2.741 1.00 0.00 C ATOM 391 CD ARG A 26 0.018 -1.514 3.969 1.00 0.00 C ATOM 392 NE ARG A 26 -0.836 -1.668 5.158 1.00 0.00 N ATOM 393 CZ ARG A 26 -0.468 -1.472 6.417 1.00 0.00 C ATOM 394 NH1 ARG A 26 0.776 -1.185 6.734 1.00 0.00 N ATOM 395 NH2 ARG A 26 -1.361 -1.558 7.379 1.00 0.00 N ATOM 0 H ARG A 26 -0.348 -0.237 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 26 0.047 -2.891 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.336 -0.681 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.411 -0.566 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.609 -2.508 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.024 -3.105 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.003 -1.935 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.161 -0.454 3.759 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.802 -1.952 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.484 -1.109 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.033 -1.039 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.332 -1.775 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.082 -1.408 8.349 1.00 0.00 H new ATOM 409 N TYR A 27 -3.066 -2.063 -0.324 1.00 0.00 N ATOM 410 CA TYR A 27 -4.420 -2.540 -0.576 1.00 0.00 C ATOM 411 C TYR A 27 -4.418 -3.688 -1.578 1.00 0.00 C ATOM 412 O TYR A 27 -4.998 -4.732 -1.293 1.00 0.00 O ATOM 413 CB TYR A 27 -5.284 -1.372 -1.088 1.00 0.00 C ATOM 414 CG TYR A 27 -6.704 -1.737 -1.430 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.532 -2.309 -0.442 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.221 -1.463 -2.713 1.00 0.00 C ATOM 417 CE1 TYR A 27 -8.862 -2.608 -0.729 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.558 -1.753 -3.004 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.393 -2.303 -2.003 1.00 0.00 C ATOM 420 OH TYR A 27 -10.705 -2.531 -2.249 1.00 0.00 O ATOM 0 H TYR A 27 -2.961 -1.071 -0.539 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.841 -2.919 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.298 -0.590 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.810 -0.949 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.134 -2.516 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.585 -1.029 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.486 -3.072 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.952 -1.558 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.916 -2.268 -3.169 1.00 0.00 H new ATOM 430 N ILE A 28 -3.714 -3.523 -2.705 1.00 0.00 N ATOM 431 CA ILE A 28 -3.493 -4.608 -3.665 1.00 0.00 C ATOM 432 C ILE A 28 -2.841 -5.808 -2.973 1.00 0.00 C ATOM 433 O ILE A 28 -3.402 -6.896 -3.038 1.00 0.00 O ATOM 434 CB ILE A 28 -2.702 -4.127 -4.893 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.568 -3.186 -5.755 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.206 -5.335 -5.719 1.00 0.00 C ATOM 437 CD1 ILE A 28 -2.760 -2.555 -6.899 1.00 0.00 C ATOM 0 H ILE A 28 -3.284 -2.638 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.461 -4.938 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.831 -3.568 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.409 -3.743 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.985 -2.399 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.648 -4.979 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.559 -5.957 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.061 -5.922 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.406 -1.899 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.934 -1.976 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.365 -3.341 -7.542 1.00 0.00 H new ATOM 448 N ASN A 29 -1.728 -5.628 -2.256 1.00 0.00 N ATOM 449 CA ASN A 29 -1.116 -6.738 -1.512 1.00 0.00 C ATOM 450 C ASN A 29 -2.129 -7.428 -0.580 1.00 0.00 C ATOM 451 O ASN A 29 -2.276 -8.649 -0.629 1.00 0.00 O ATOM 452 CB ASN A 29 0.133 -6.249 -0.758 1.00 0.00 C ATOM 453 CG ASN A 29 0.830 -7.354 0.033 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.789 -8.525 -0.296 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.498 -6.988 1.106 1.00 0.00 N ATOM 0 H ASN A 29 -1.236 -4.738 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.797 -7.496 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.837 -5.823 -1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.153 -5.448 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.985 -7.687 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.529 -6.005 1.377 1.00 0.00 H new ATOM 462 N MET A 30 -2.886 -6.648 0.203 1.00 0.00 N ATOM 463 CA MET A 30 -3.963 -7.120 1.081 1.00 0.00 C ATOM 464 C MET A 30 -5.121 -7.814 0.354 1.00 0.00 C ATOM 465 O MET A 30 -5.759 -8.663 0.968 1.00 0.00 O ATOM 466 CB MET A 30 -4.482 -5.959 1.943 1.00 0.00 C ATOM 467 CG MET A 30 -3.865 -5.986 3.347 1.00 0.00 C ATOM 468 SD MET A 30 -3.416 -4.386 4.069 1.00 0.00 S ATOM 469 CE MET A 30 -5.052 -3.709 4.447 1.00 0.00 C ATOM 0 H MET A 30 -2.760 -5.637 0.243 1.00 0.00 H new ATOM 0 HA MET A 30 -3.520 -7.891 1.712 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.247 -5.011 1.459 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.568 -6.018 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.569 -6.477 4.019 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.970 -6.607 3.314 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.942 -2.723 4.899 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.632 -3.625 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.568 -4.371 5.142 1.00 0.00 H new