USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 140 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 17 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 25 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.043) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 1.523 3.704 -11.444 1.00 0.00 N ATOM 180 CA GLY A 13 1.749 2.697 -10.422 1.00 0.00 C ATOM 181 C GLY A 13 1.392 3.185 -9.033 1.00 0.00 C ATOM 182 O GLY A 13 2.060 4.064 -8.489 1.00 0.00 O ATOM 0 HA2 GLY A 13 1.159 1.810 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.797 2.396 -10.439 1.00 0.00 H new ATOM 186 N CYS A 14 0.349 2.614 -8.460 1.00 0.00 N ATOM 187 CA CYS A 14 -0.077 2.998 -7.126 1.00 0.00 C ATOM 188 C CYS A 14 0.979 2.737 -6.092 1.00 0.00 C ATOM 189 O CYS A 14 2.035 2.191 -6.413 1.00 0.00 O ATOM 190 CB CYS A 14 -1.346 2.232 -6.746 1.00 0.00 C ATOM 191 SG CYS A 14 -2.516 3.184 -5.728 1.00 0.00 S ATOM 0 H CYS A 14 -0.217 1.885 -8.895 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.269 4.071 -7.147 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.851 1.913 -7.658 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.063 1.329 -6.206 1.00 0.00 H new ATOM 196 N PHE A 15 0.713 3.131 -4.851 1.00 0.00 N ATOM 197 CA PHE A 15 1.668 2.936 -3.761 1.00 0.00 C ATOM 198 C PHE A 15 2.065 1.466 -3.645 1.00 0.00 C ATOM 199 O PHE A 15 1.435 0.591 -4.242 1.00 0.00 O ATOM 200 CB PHE A 15 1.097 3.432 -2.425 1.00 0.00 C ATOM 201 CG PHE A 15 -0.372 3.471 -2.368 1.00 0.00 C ATOM 202 CD1 PHE A 15 -1.110 2.306 -2.281 1.00 0.00 C ATOM 203 CD2 PHE A 15 -1.040 4.685 -2.406 1.00 0.00 C ATOM 204 CE1 PHE A 15 -2.491 2.346 -2.232 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.422 4.731 -2.355 1.00 0.00 C ATOM 206 CZ PHE A 15 -3.145 3.562 -2.271 1.00 0.00 C ATOM 0 H PHE A 15 -0.156 3.588 -4.573 1.00 0.00 H new ATOM 0 HA PHE A 15 2.556 3.524 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.462 2.787 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.483 4.432 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.602 1.353 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.476 5.604 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.057 1.429 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.933 5.682 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.224 3.596 -2.236 1.00 0.00 H new ATOM 216 N GLY A 16 3.118 1.203 -2.879 1.00 0.00 N ATOM 217 CA GLY A 16 3.592 -0.154 -2.697 1.00 0.00 C ATOM 218 C GLY A 16 2.519 -1.058 -2.175 1.00 0.00 C ATOM 219 O GLY A 16 1.543 -0.624 -1.569 1.00 0.00 O ATOM 0 H GLY A 16 3.654 1.912 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.960 -0.540 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.434 -0.154 -2.005 1.00 0.00 H new ATOM 223 N HIS A 17 2.703 -2.353 -2.415 1.00 0.00 N ATOM 224 CA HIS A 17 1.749 -3.362 -1.972 1.00 0.00 C ATOM 225 C HIS A 17 1.683 -3.417 -0.451 1.00 0.00 C ATOM 226 O HIS A 17 2.412 -2.703 0.224 1.00 0.00 O ATOM 227 CB HIS A 17 2.142 -4.732 -2.524 1.00 0.00 C ATOM 228 CG HIS A 17 2.563 -4.700 -3.963 1.00 0.00 C ATOM 229 ND1 HIS A 17 1.667 -4.775 -5.006 1.00 0.00 N ATOM 230 CD2 HIS A 17 3.790 -4.606 -4.528 1.00 0.00 C ATOM 231 CE1 HIS A 17 2.327 -4.727 -6.151 1.00 0.00 C ATOM 232 NE2 HIS A 17 3.617 -4.625 -5.888 1.00 0.00 N ATOM 0 H HIS A 17 3.508 -2.728 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 17 0.764 -3.089 -2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.958 -5.136 -1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.299 -5.414 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.731 -4.530 -4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.885 -4.765 -7.136 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.362 -4.569 -6.582 1.00 0.00 H new ATOM 241 N LYS A 18 0.801 -4.266 0.057 1.00 0.00 N ATOM 242 CA LYS A 18 0.623 -4.429 1.469 1.00 0.00 C ATOM 243 C LYS A 18 -0.148 -3.260 2.053 1.00 0.00 C ATOM 244 O LYS A 18 0.401 -2.208 2.359 1.00 0.00 O ATOM 245 CB LYS A 18 1.975 -4.553 2.167 1.00 0.00 C ATOM 246 CG LYS A 18 1.918 -5.324 3.474 1.00 0.00 C ATOM 247 CD LYS A 18 1.757 -6.820 3.230 1.00 0.00 C ATOM 248 CE LYS A 18 1.741 -7.597 4.539 1.00 0.00 C ATOM 249 NZ LYS A 18 0.401 -7.584 5.175 1.00 0.00 N ATOM 0 H LYS A 18 0.193 -4.857 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 18 0.052 -5.343 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.677 -5.046 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.367 -3.555 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.828 -5.143 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.086 -4.960 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.831 -7.004 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.573 -7.178 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.044 -8.627 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.472 -7.168 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.433 -8.124 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.122 -6.603 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.293 -8.016 4.532 1.00 0.00 H new ATOM 263 N ILE A 19 -1.435 -3.460 2.202 1.00 0.00 N ATOM 264 CA ILE A 19 -2.309 -2.426 2.751 1.00 0.00 C ATOM 265 C ILE A 19 -1.728 -1.831 4.031 1.00 0.00 C ATOM 266 O ILE A 19 -1.935 -0.652 4.326 1.00 0.00 O ATOM 267 CB ILE A 19 -3.719 -2.978 3.047 1.00 0.00 C ATOM 268 CG1 ILE A 19 -4.282 -3.705 1.826 1.00 0.00 C ATOM 269 CG2 ILE A 19 -4.647 -1.849 3.480 1.00 0.00 C ATOM 270 CD1 ILE A 19 -5.713 -4.165 1.997 1.00 0.00 C ATOM 0 H ILE A 19 -1.911 -4.327 1.953 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.384 -1.645 1.994 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.646 -3.697 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.223 -3.044 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.655 -4.570 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.639 -2.252 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.252 -1.379 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.715 -1.108 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.043 -4.672 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.776 -4.852 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.353 -3.302 2.184 1.00 0.00 H new ATOM 282 N ASP A 20 -0.997 -2.651 4.783 1.00 0.00 N ATOM 283 CA ASP A 20 -0.391 -2.210 6.029 1.00 0.00 C ATOM 284 C ASP A 20 -1.398 -1.518 6.931 1.00 0.00 C ATOM 285 O ASP A 20 -1.700 -0.336 6.748 1.00 0.00 O ATOM 286 CB ASP A 20 0.759 -1.273 5.721 1.00 0.00 C ATOM 287 CG ASP A 20 1.274 -0.548 6.948 1.00 0.00 C ATOM 288 OD1 ASP A 20 1.735 -1.223 7.890 1.00 0.00 O ATOM 289 OD2 ASP A 20 1.217 0.668 6.969 1.00 0.00 O ATOM 0 H ASP A 20 -0.812 -3.626 4.547 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.025 -3.089 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.574 -1.841 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.436 -0.540 4.981 1.00 0.00 H new ATOM 294 N ARG A 21 -1.919 -2.256 7.905 1.00 0.00 N ATOM 295 CA ARG A 21 -2.899 -1.710 8.838 1.00 0.00 C ATOM 296 C ARG A 21 -2.398 -0.419 9.471 1.00 0.00 C ATOM 297 O ARG A 21 -1.194 -0.234 9.660 1.00 0.00 O ATOM 298 CB ARG A 21 -3.219 -2.733 9.928 1.00 0.00 C ATOM 299 CG ARG A 21 -4.610 -2.577 10.525 1.00 0.00 C ATOM 300 CD ARG A 21 -5.651 -3.329 9.710 1.00 0.00 C ATOM 301 NE ARG A 21 -5.489 -4.777 9.812 1.00 0.00 N ATOM 302 CZ ARG A 21 -5.799 -5.482 10.899 1.00 0.00 C ATOM 303 NH1 ARG A 21 -6.283 -4.878 11.976 1.00 0.00 N ATOM 304 NH2 ARG A 21 -5.618 -6.798 10.910 1.00 0.00 N ATOM 0 H ARG A 21 -1.679 -3.234 8.069 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.806 -1.486 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.122 -3.736 9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.480 -2.645 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.611 -2.947 11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.873 -1.520 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.648 -3.051 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.578 -3.029 8.665 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.117 -5.277 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.420 -3.867 11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.518 -5.424 12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.242 -7.268 10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.855 -7.338 11.742 1.00 0.00 H new ATOM 318 N ILE A 22 -3.327 0.456 9.794 1.00 0.00 N ATOM 319 CA ILE A 22 -2.979 1.727 10.406 1.00 0.00 C ATOM 320 C ILE A 22 -1.961 2.480 9.555 1.00 0.00 C ATOM 321 O ILE A 22 -1.453 1.949 8.565 1.00 0.00 O ATOM 322 CB ILE A 22 -2.407 1.552 11.833 1.00 0.00 C ATOM 323 CG1 ILE A 22 -2.970 0.307 12.496 1.00 0.00 C ATOM 324 CG2 ILE A 22 -2.720 2.777 12.681 1.00 0.00 C ATOM 325 CD1 ILE A 22 -2.442 0.082 13.892 1.00 0.00 C ATOM 0 H ILE A 22 -4.326 0.314 9.645 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.904 2.300 10.472 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.326 1.440 11.751 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.057 0.384 12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.734 -0.562 11.881 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.312 2.640 13.682 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.273 3.660 12.224 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.800 2.909 12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.885 -0.824 14.307 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.358 -0.027 13.858 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.701 0.934 14.521 1.00 0.00 H new ATOM 337 N GLY A 23 -1.661 3.713 9.944 1.00 0.00 N ATOM 338 CA GLY A 23 -0.704 4.513 9.202 1.00 0.00 C ATOM 339 C GLY A 23 -1.363 5.653 8.450 1.00 0.00 C ATOM 340 O GLY A 23 -1.813 5.477 7.317 1.00 0.00 O ATOM 0 H GLY A 23 -2.063 4.174 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.039 4.917 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.172 3.876 8.496 1.00 0.00 H new ATOM 344 N SER A 24 -1.416 6.822 9.076 1.00 0.00 N ATOM 345 CA SER A 24 -2.021 7.995 8.459 1.00 0.00 C ATOM 346 C SER A 24 -1.318 8.352 7.151 1.00 0.00 C ATOM 347 O SER A 24 -1.913 8.281 6.076 1.00 0.00 O ATOM 348 CB SER A 24 -1.967 9.182 9.419 1.00 0.00 C ATOM 349 OG SER A 24 -2.035 8.753 10.769 1.00 0.00 O ATOM 0 H SER A 24 -1.046 6.983 10.013 1.00 0.00 H new ATOM 0 HA SER A 24 -3.062 7.760 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.045 9.741 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.793 9.861 9.208 1.00 0.00 H new ATOM 0 HG SER A 24 -1.997 9.532 11.362 1.00 0.00 H new ATOM 355 N HIS A 25 -0.050 8.739 7.256 1.00 0.00 N ATOM 356 CA HIS A 25 0.727 9.114 6.086 1.00 0.00 C ATOM 357 C HIS A 25 0.740 7.984 5.062 1.00 0.00 C ATOM 358 O HIS A 25 0.344 8.168 3.912 1.00 0.00 O ATOM 359 CB HIS A 25 2.132 9.469 6.502 1.00 0.00 C ATOM 360 CG HIS A 25 2.732 10.577 5.689 1.00 0.00 C ATOM 361 ND1 HIS A 25 3.898 11.225 6.046 1.00 0.00 N ATOM 362 CD2 HIS A 25 2.320 11.158 4.537 1.00 0.00 C ATOM 363 CE1 HIS A 25 4.178 12.150 5.146 1.00 0.00 C ATOM 364 NE2 HIS A 25 3.237 12.128 4.222 1.00 0.00 N ATOM 0 H HIS A 25 0.458 8.800 8.139 1.00 0.00 H new ATOM 0 HA HIS A 25 0.264 9.984 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.129 9.760 7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.763 8.584 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.435 10.905 3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.032 12.811 5.164 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.198 12.736 3.404 1.00 0.00 H new ATOM 373 N SER A 26 1.211 6.822 5.475 1.00 0.00 N ATOM 374 CA SER A 26 1.286 5.665 4.589 1.00 0.00 C ATOM 375 C SER A 26 -0.063 5.288 4.060 1.00 0.00 C ATOM 376 O SER A 26 -1.027 5.212 4.815 1.00 0.00 O ATOM 377 CB SER A 26 1.905 4.474 5.320 1.00 0.00 C ATOM 378 OG SER A 26 3.099 4.845 5.983 1.00 0.00 O ATOM 0 H SER A 26 1.550 6.650 6.422 1.00 0.00 H new ATOM 0 HA SER A 26 1.918 5.940 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.192 4.077 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.114 3.676 4.608 1.00 0.00 H new ATOM 0 HG SER A 26 3.473 4.065 6.444 1.00 0.00 H new ATOM 384 N GLY A 27 -0.143 5.053 2.750 1.00 0.00 N ATOM 385 CA GLY A 27 -1.407 4.691 2.143 1.00 0.00 C ATOM 386 C GLY A 27 -1.258 3.536 1.167 1.00 0.00 C ATOM 387 O GLY A 27 -1.670 3.638 0.040 1.00 0.00 O ATOM 0 H GLY A 27 0.644 5.108 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.119 4.418 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.820 5.555 1.622 1.00 0.00 H new ATOM 391 N LEU A 28 -0.662 2.448 1.632 1.00 0.00 N ATOM 392 CA LEU A 28 -0.451 1.272 0.797 1.00 0.00 C ATOM 393 C LEU A 28 -1.761 0.526 0.567 1.00 0.00 C ATOM 394 O LEU A 28 -2.819 0.949 1.029 1.00 0.00 O ATOM 395 CB LEU A 28 0.539 0.339 1.443 1.00 0.00 C ATOM 396 CG LEU A 28 1.945 0.929 1.624 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.414 1.612 0.350 1.00 0.00 C ATOM 398 CD2 LEU A 28 1.970 1.902 2.793 1.00 0.00 C ATOM 0 H LEU A 28 -0.314 2.354 2.586 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.061 1.612 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.155 0.041 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.613 -0.566 0.840 1.00 0.00 H new ATOM 0 HG LEU A 28 2.631 0.110 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.412 2.022 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.440 0.887 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.726 2.418 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.975 2.310 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.268 2.714 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.686 1.380 3.707 1.00 0.00 H new ATOM 410 N GLY A 29 -1.681 -0.559 -0.115 1.00 0.00 N ATOM 411 CA GLY A 29 -2.864 -1.349 -0.390 1.00 0.00 C ATOM 412 C GLY A 29 -3.592 -0.894 -1.643 1.00 0.00 C ATOM 413 O GLY A 29 -4.672 -0.307 -1.559 1.00 0.00 O ATOM 0 H GLY A 29 -0.815 -0.935 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.580 -2.396 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.542 -1.290 0.461 1.00 0.00 H new ATOM 417 N CYS A 30 -3.007 -1.166 -2.802 1.00 0.00 N ATOM 418 CA CYS A 30 -3.611 -0.782 -4.074 1.00 0.00 C ATOM 419 C CYS A 30 -3.650 -1.968 -5.033 1.00 0.00 C ATOM 420 O CYS A 30 -4.706 -2.561 -5.255 1.00 0.00 O ATOM 421 CB CYS A 30 -2.834 0.341 -4.704 1.00 0.00 C ATOM 422 SG CYS A 30 -3.858 1.794 -5.104 1.00 0.00 S ATOM 0 H CYS A 30 -2.114 -1.651 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.630 -0.451 -3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.035 0.644 -4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.360 -0.022 -5.616 1.00 0.00 H new ATOM 427 N ASN A 31 -2.499 -2.310 -5.600 1.00 0.00 N ATOM 428 CA ASN A 31 -2.401 -3.418 -6.536 1.00 0.00 C ATOM 429 C ASN A 31 -2.799 -4.731 -5.866 1.00 0.00 C ATOM 430 O ASN A 31 -3.150 -4.756 -4.687 1.00 0.00 O ATOM 431 CB ASN A 31 -0.981 -3.517 -7.085 1.00 0.00 C ATOM 432 CG ASN A 31 -0.430 -2.170 -7.505 1.00 0.00 C ATOM 433 OD1 ASN A 31 -0.738 -1.670 -8.585 1.00 0.00 O ATOM 434 ND2 ASN A 31 0.370 -1.575 -6.654 1.00 0.00 N ATOM 0 H ASN A 31 -1.616 -1.831 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.089 -3.232 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.330 -3.952 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.971 -4.193 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.763 -0.661 -6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.599 -2.026 -5.768 1.00 0.00 H new ATOM 441 N LYS A 32 -2.731 -5.820 -6.625 1.00 0.00 N ATOM 442 CA LYS A 32 -3.081 -7.137 -6.104 1.00 0.00 C ATOM 443 C LYS A 32 -2.073 -7.595 -5.050 1.00 0.00 C ATOM 444 O LYS A 32 -0.936 -7.151 -5.048 1.00 0.00 O ATOM 445 CB LYS A 32 -3.144 -8.161 -7.239 1.00 0.00 C ATOM 446 CG LYS A 32 -4.130 -9.290 -6.986 1.00 0.00 C ATOM 447 CD LYS A 32 -5.470 -9.020 -7.647 1.00 0.00 C ATOM 448 CE LYS A 32 -6.476 -8.460 -6.654 1.00 0.00 C ATOM 449 NZ LYS A 32 -7.229 -9.542 -5.958 1.00 0.00 N ATOM 0 H LYS A 32 -2.437 -5.817 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.062 -7.061 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.418 -7.651 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.151 -8.584 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.718 -10.225 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.272 -9.416 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.337 -8.316 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.857 -9.943 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.957 -7.847 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.176 -7.807 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.905 -9.120 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.745 -10.112 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.563 -10.150 -5.440 1.00 0.00 H new