USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.203) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0041) USER MOD Single : A 23 THR OG1 : rot -36:sc= 0.00661 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.169) USER MOD Single : B 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000657) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -5.526 -15.351 -14.686 1.00 0.00 N ATOM 156 CA TYR A 10 -4.830 -14.076 -15.026 1.00 0.00 C ATOM 157 C TYR A 10 -5.169 -13.000 -13.994 1.00 0.00 C ATOM 158 O TYR A 10 -6.322 -12.755 -13.696 1.00 0.00 O ATOM 159 CB TYR A 10 -5.369 -13.684 -16.402 1.00 0.00 C ATOM 160 CG TYR A 10 -5.136 -14.812 -17.380 1.00 0.00 C ATOM 161 CD1 TYR A 10 -5.867 -16.002 -17.266 1.00 0.00 C ATOM 162 CD2 TYR A 10 -4.187 -14.669 -18.401 1.00 0.00 C ATOM 163 CE1 TYR A 10 -5.652 -17.047 -18.173 1.00 0.00 C ATOM 164 CE2 TYR A 10 -3.972 -15.715 -19.309 1.00 0.00 C ATOM 165 CZ TYR A 10 -4.703 -16.904 -19.195 1.00 0.00 C ATOM 166 OH TYR A 10 -4.491 -17.934 -20.089 1.00 0.00 O ATOM 0 HA TYR A 10 -3.746 -14.186 -15.029 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.434 -13.461 -16.336 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.875 -12.778 -16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.597 -16.113 -16.478 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.621 -13.753 -18.488 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.217 -17.963 -18.085 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.242 -15.604 -20.097 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.801 -17.671 -20.734 1.00 0.00 H new ATOM 176 N ASP A 11 -4.178 -12.353 -13.444 1.00 0.00 N ATOM 177 CA ASP A 11 -4.457 -11.294 -12.433 1.00 0.00 C ATOM 178 C ASP A 11 -3.308 -10.288 -12.383 1.00 0.00 C ATOM 179 O ASP A 11 -3.007 -9.721 -11.350 1.00 0.00 O ATOM 180 CB ASP A 11 -4.583 -12.037 -11.103 1.00 0.00 C ATOM 181 CG ASP A 11 -5.523 -11.268 -10.174 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.678 -11.106 -10.533 1.00 0.00 O ATOM 183 OD2 ASP A 11 -5.074 -10.855 -9.119 1.00 0.00 O ATOM 0 H ASP A 11 -3.191 -12.511 -13.650 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.358 -10.728 -12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.965 -13.044 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.602 -12.142 -10.639 1.00 0.00 H new ATOM 188 N LEU A 12 -2.673 -10.054 -13.494 1.00 0.00 N ATOM 189 CA LEU A 12 -1.551 -9.076 -13.521 1.00 0.00 C ATOM 190 C LEU A 12 -1.108 -8.813 -14.963 1.00 0.00 C ATOM 191 O LEU A 12 -0.676 -9.708 -15.662 1.00 0.00 O ATOM 192 CB LEU A 12 -0.430 -9.736 -12.723 1.00 0.00 C ATOM 193 CG LEU A 12 0.490 -8.655 -12.157 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.705 -9.309 -11.499 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.952 -7.741 -13.295 1.00 0.00 C ATOM 0 H LEU A 12 -2.882 -10.498 -14.388 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.835 -8.112 -13.100 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.848 -10.335 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.136 -10.414 -13.362 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.049 -8.069 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.360 -8.537 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.374 -9.962 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.248 -9.895 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.609 -6.968 -12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.492 -8.329 -14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.085 -7.275 -13.762 1.00 0.00 H new ATOM 207 N GLY A 13 -1.208 -7.592 -15.415 1.00 0.00 N ATOM 208 CA GLY A 13 -0.790 -7.279 -16.810 1.00 0.00 C ATOM 209 C GLY A 13 -0.503 -5.782 -16.940 1.00 0.00 C ATOM 210 O GLY A 13 0.544 -5.380 -17.408 1.00 0.00 O ATOM 0 H GLY A 13 -1.561 -6.799 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.099 -7.853 -17.071 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.574 -7.571 -17.509 1.00 0.00 H new ATOM 214 N LYS A 14 -1.424 -4.953 -16.534 1.00 0.00 N ATOM 215 CA LYS A 14 -1.201 -3.482 -16.640 1.00 0.00 C ATOM 216 C LYS A 14 -0.841 -2.900 -15.270 1.00 0.00 C ATOM 217 O LYS A 14 -0.862 -3.585 -14.268 1.00 0.00 O ATOM 218 CB LYS A 14 -2.534 -2.914 -17.128 1.00 0.00 C ATOM 219 CG LYS A 14 -2.391 -2.443 -18.577 1.00 0.00 C ATOM 220 CD LYS A 14 -3.765 -2.051 -19.125 1.00 0.00 C ATOM 221 CE LYS A 14 -3.885 -2.507 -20.580 1.00 0.00 C ATOM 222 NZ LYS A 14 -4.676 -3.767 -20.524 1.00 0.00 N ATOM 0 H LYS A 14 -2.321 -5.229 -16.134 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.381 -3.237 -17.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.312 -3.674 -17.057 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.841 -2.083 -16.493 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.711 -1.593 -18.629 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.957 -3.235 -19.187 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.551 -2.508 -18.524 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.900 -0.971 -19.059 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.384 -1.754 -21.190 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.904 -2.676 -21.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.801 -4.142 -21.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.173 -4.467 -19.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.608 -3.574 -20.104 1.00 0.00 H new ATOM 236 N LYS A 15 -0.508 -1.638 -15.222 1.00 0.00 N ATOM 237 CA LYS A 15 -0.147 -1.011 -13.918 1.00 0.00 C ATOM 238 C LYS A 15 -0.701 0.414 -13.848 1.00 0.00 C ATOM 239 O LYS A 15 -0.885 1.062 -14.859 1.00 0.00 O ATOM 240 CB LYS A 15 1.382 -0.994 -13.894 1.00 0.00 C ATOM 241 CG LYS A 15 1.907 -0.299 -15.152 1.00 0.00 C ATOM 242 CD LYS A 15 3.350 -0.737 -15.410 1.00 0.00 C ATOM 243 CE LYS A 15 3.870 -0.054 -16.677 1.00 0.00 C ATOM 244 NZ LYS A 15 4.454 -1.155 -17.494 1.00 0.00 N ATOM 0 H LYS A 15 -0.470 -1.015 -16.029 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.560 -1.556 -13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.736 -0.474 -13.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.766 -2.013 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.281 -0.550 -16.008 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.860 0.783 -15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.979 -0.476 -14.559 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.398 -1.820 -15.522 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.066 0.451 -17.212 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.619 0.702 -16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.832 -0.766 -18.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.221 -1.613 -16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.716 -1.856 -17.710 1.00 0.00 H new ATOM 258 N PRO A 16 -0.952 0.852 -12.645 1.00 0.00 N ATOM 259 CA PRO A 16 -1.497 2.216 -12.426 1.00 0.00 C ATOM 260 C PRO A 16 -0.421 3.278 -12.677 1.00 0.00 C ATOM 261 O PRO A 16 0.761 3.011 -12.603 1.00 0.00 O ATOM 262 CB PRO A 16 -1.914 2.201 -10.959 1.00 0.00 C ATOM 263 CG PRO A 16 -1.063 1.149 -10.322 1.00 0.00 C ATOM 264 CD PRO A 16 -0.755 0.127 -11.387 1.00 0.00 C ATOM 0 HA PRO A 16 -2.320 2.459 -13.099 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.753 3.173 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.974 1.968 -10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.145 1.583 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.584 0.687 -9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.265 -0.247 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.418 -0.735 -11.316 1.00 0.00 H new ATOM 272 N ILE A 17 -0.831 4.482 -12.971 1.00 0.00 N ATOM 273 CA ILE A 17 0.147 5.572 -13.226 1.00 0.00 C ATOM 274 C ILE A 17 -0.497 6.926 -12.923 1.00 0.00 C ATOM 275 O ILE A 17 -0.652 7.755 -13.794 1.00 0.00 O ATOM 276 CB ILE A 17 0.509 5.464 -14.711 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.732 5.087 -15.529 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.584 4.392 -14.899 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.353 4.973 -17.006 1.00 0.00 C ATOM 0 H ILE A 17 -1.810 4.757 -13.045 1.00 0.00 H new ATOM 0 HA ILE A 17 1.032 5.486 -12.596 1.00 0.00 H new ATOM 0 HB ILE A 17 0.886 6.427 -15.055 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.142 4.142 -15.174 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.509 5.840 -15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.841 4.316 -15.956 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.472 4.663 -14.328 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.206 3.432 -14.547 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.235 4.705 -17.588 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.037 5.929 -17.356 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.410 4.204 -17.128 1.00 0.00 H new ATOM 291 N TYR A 18 -0.880 7.149 -11.696 1.00 0.00 N ATOM 292 CA TYR A 18 -1.528 8.444 -11.337 1.00 0.00 C ATOM 293 C TYR A 18 -0.523 9.597 -11.396 1.00 0.00 C ATOM 294 O TYR A 18 0.639 9.413 -11.699 1.00 0.00 O ATOM 295 CB TYR A 18 -2.037 8.250 -9.908 1.00 0.00 C ATOM 296 CG TYR A 18 -3.540 8.094 -9.922 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.322 8.894 -10.766 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.153 7.147 -9.090 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.715 8.749 -10.778 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.546 7.001 -9.102 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.328 7.802 -9.947 1.00 0.00 C ATOM 302 OH TYR A 18 -7.700 7.658 -9.958 1.00 0.00 O ATOM 0 H TYR A 18 -0.772 6.490 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.330 8.699 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.574 7.369 -9.463 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.756 9.104 -9.292 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.850 9.623 -11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.551 6.530 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.317 9.367 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.018 6.272 -8.460 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.960 6.957 -9.324 1.00 0.00 H new ATOM 312 N LYS A 19 -0.975 10.788 -11.111 1.00 0.00 N ATOM 313 CA LYS A 19 -0.069 11.972 -11.149 1.00 0.00 C ATOM 314 C LYS A 19 0.378 12.252 -12.586 1.00 0.00 C ATOM 315 O LYS A 19 1.104 11.482 -13.182 1.00 0.00 O ATOM 316 CB LYS A 19 1.126 11.592 -10.275 1.00 0.00 C ATOM 317 CG LYS A 19 1.543 12.802 -9.435 1.00 0.00 C ATOM 318 CD LYS A 19 2.370 12.334 -8.236 1.00 0.00 C ATOM 319 CE LYS A 19 2.005 13.169 -7.007 1.00 0.00 C ATOM 320 NZ LYS A 19 2.524 14.534 -7.301 1.00 0.00 N ATOM 0 H LYS A 19 -1.940 10.993 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.560 12.877 -10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.865 10.756 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.958 11.264 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.125 13.496 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.660 13.341 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.182 11.278 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.434 12.433 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.927 13.183 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.458 12.761 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.545 15.094 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.486 14.463 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.904 14.999 -7.994 1.00 0.00 H new ATOM 334 N LYS A 20 -0.054 13.349 -13.146 1.00 0.00 N ATOM 335 CA LYS A 20 0.344 13.680 -14.544 1.00 0.00 C ATOM 336 C LYS A 20 -0.052 15.119 -14.882 1.00 0.00 C ATOM 337 O LYS A 20 -0.701 15.377 -15.876 1.00 0.00 O ATOM 338 CB LYS A 20 -0.425 12.690 -15.419 1.00 0.00 C ATOM 339 CG LYS A 20 0.380 12.402 -16.690 1.00 0.00 C ATOM 340 CD LYS A 20 -0.577 12.086 -17.839 1.00 0.00 C ATOM 341 CE LYS A 20 -0.029 12.678 -19.139 1.00 0.00 C ATOM 342 NZ LYS A 20 1.020 11.718 -19.584 1.00 0.00 N ATOM 0 H LYS A 20 -0.665 14.030 -12.696 1.00 0.00 H new ATOM 0 HA LYS A 20 1.421 13.606 -14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.603 11.765 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.401 13.099 -15.679 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.999 13.263 -16.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.055 11.562 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.696 11.007 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.564 12.497 -17.628 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.814 12.781 -19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.388 13.672 -18.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.873 12.242 -19.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.252 11.071 -18.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.668 11.170 -20.395 1.00 0.00 H new ATOM 356 N ALA A 21 0.337 16.057 -14.063 1.00 0.00 N ATOM 357 CA ALA A 21 -0.015 17.479 -14.339 1.00 0.00 C ATOM 358 C ALA A 21 0.742 18.410 -13.387 1.00 0.00 C ATOM 359 O ALA A 21 0.210 18.833 -12.380 1.00 0.00 O ATOM 360 CB ALA A 21 -1.521 17.571 -14.091 1.00 0.00 C ATOM 0 H ALA A 21 0.883 15.901 -13.216 1.00 0.00 H new ATOM 0 HA ALA A 21 0.251 17.778 -15.353 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.858 18.591 -14.274 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.043 16.890 -14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.737 17.297 -13.058 1.00 0.00 H new ATOM 366 N PRO A 22 1.963 18.700 -13.743 1.00 0.00 N ATOM 367 CA PRO A 22 2.808 19.592 -12.913 1.00 0.00 C ATOM 368 C PRO A 22 2.347 21.046 -13.060 1.00 0.00 C ATOM 369 O PRO A 22 2.746 21.743 -13.971 1.00 0.00 O ATOM 370 CB PRO A 22 4.206 19.403 -13.493 1.00 0.00 C ATOM 371 CG PRO A 22 3.987 18.956 -14.903 1.00 0.00 C ATOM 372 CD PRO A 22 2.668 18.226 -14.940 1.00 0.00 C ATOM 0 HA PRO A 22 2.761 19.362 -11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.776 20.332 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.770 18.661 -12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.973 19.810 -15.580 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.797 18.304 -15.230 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.111 18.456 -15.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.810 17.145 -14.918 1.00 0.00 H new ATOM 380 N THR A 23 1.509 21.506 -12.172 1.00 0.00 N ATOM 381 CA THR A 23 1.022 22.912 -12.263 1.00 0.00 C ATOM 382 C THR A 23 0.498 23.198 -13.673 1.00 0.00 C ATOM 383 O THR A 23 1.216 23.675 -14.528 1.00 0.00 O ATOM 384 CB THR A 23 2.248 23.776 -11.961 1.00 0.00 C ATOM 385 OG1 THR A 23 2.779 23.415 -10.694 1.00 0.00 O ATOM 386 CG2 THR A 23 1.842 25.249 -11.946 1.00 0.00 C ATOM 0 H THR A 23 1.140 20.969 -11.387 1.00 0.00 H new ATOM 0 HA THR A 23 0.203 23.112 -11.572 1.00 0.00 H new ATOM 0 HB THR A 23 3.004 23.618 -12.730 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.046 23.186 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.715 25.865 -11.731 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.435 25.524 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.086 25.410 -11.177 1.00 0.00 H new ATOM 394 N ASN A 24 -0.750 22.910 -13.921 1.00 0.00 N ATOM 395 CA ASN A 24 -1.320 23.165 -15.275 1.00 0.00 C ATOM 396 C ASN A 24 -2.627 23.953 -15.159 1.00 0.00 C ATOM 397 O ASN A 24 -3.706 23.405 -15.266 1.00 0.00 O ATOM 398 CB ASN A 24 -1.580 21.778 -15.863 1.00 0.00 C ATOM 399 CG ASN A 24 -0.339 21.306 -16.624 1.00 0.00 C ATOM 400 OD1 ASN A 24 0.515 20.519 -16.030 1.00 0.00 O flip ATOM 401 ND2 ASN A 24 -0.146 21.659 -17.770 1.00 0.00 N flip ATOM 0 H ASN A 24 -1.400 22.509 -13.245 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.650 23.754 -15.901 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.822 21.073 -15.067 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.440 21.810 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.814 22.274 -18.234 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.685 21.340 -18.269 1.00 0.00 H new ATOM 630 N TYR B 10 -0.225 -15.281 -16.849 1.00 0.00 N ATOM 631 CA TYR B 10 -0.838 -14.064 -16.243 1.00 0.00 C ATOM 632 C TYR B 10 -0.464 -12.825 -17.060 1.00 0.00 C ATOM 633 O TYR B 10 0.691 -12.591 -17.356 1.00 0.00 O ATOM 634 CB TYR B 10 -0.241 -13.975 -14.837 1.00 0.00 C ATOM 635 CG TYR B 10 -0.512 -15.259 -14.090 1.00 0.00 C ATOM 636 CD1 TYR B 10 0.148 -16.439 -14.459 1.00 0.00 C ATOM 637 CD2 TYR B 10 -1.423 -15.270 -13.025 1.00 0.00 C ATOM 638 CE1 TYR B 10 -0.103 -17.629 -13.764 1.00 0.00 C ATOM 639 CE2 TYR B 10 -1.673 -16.460 -12.329 1.00 0.00 C ATOM 640 CZ TYR B 10 -1.013 -17.640 -12.699 1.00 0.00 C ATOM 641 OH TYR B 10 -1.260 -18.811 -12.014 1.00 0.00 O ATOM 0 HA TYR B 10 -1.926 -14.118 -16.221 1.00 0.00 H new ATOM 0 HB2 TYR B 10 0.833 -13.797 -14.897 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -0.674 -13.131 -14.300 1.00 0.00 H new ATOM 0 HD1 TYR B 10 0.850 -16.431 -15.279 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -1.932 -14.361 -12.741 1.00 0.00 H new ATOM 0 HE1 TYR B 10 0.405 -18.538 -14.049 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -2.374 -16.468 -11.508 1.00 0.00 H new ATOM 0 HH TYR B 10 -1.915 -18.643 -11.305 1.00 0.00 H new ATOM 651 N ASP B 11 -1.429 -12.028 -17.429 1.00 0.00 N ATOM 652 CA ASP B 11 -1.116 -10.809 -18.227 1.00 0.00 C ATOM 653 C ASP B 11 -2.205 -9.753 -18.040 1.00 0.00 C ATOM 654 O ASP B 11 -2.498 -8.982 -18.932 1.00 0.00 O ATOM 655 CB ASP B 11 -1.068 -11.287 -19.679 1.00 0.00 C ATOM 656 CG ASP B 11 -0.111 -10.402 -20.479 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.060 -10.372 -20.139 1.00 0.00 O ATOM 658 OD2 ASP B 11 -0.565 -9.771 -21.419 1.00 0.00 O ATOM 0 H ASP B 11 -2.416 -12.167 -17.214 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.178 -10.346 -17.920 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.739 -12.325 -19.720 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -2.065 -11.251 -20.118 1.00 0.00 H new ATOM 663 N LEU B 12 -2.801 -9.710 -16.884 1.00 0.00 N ATOM 664 CA LEU B 12 -3.865 -8.699 -16.634 1.00 0.00 C ATOM 665 C LEU B 12 -4.267 -8.699 -15.157 1.00 0.00 C ATOM 666 O LEU B 12 -4.765 -9.679 -14.640 1.00 0.00 O ATOM 667 CB LEU B 12 -5.039 -9.133 -17.510 1.00 0.00 C ATOM 668 CG LEU B 12 -5.912 -7.919 -17.825 1.00 0.00 C ATOM 669 CD1 LEU B 12 -7.175 -8.372 -18.559 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.303 -7.224 -16.519 1.00 0.00 C ATOM 0 H LEU B 12 -2.598 -10.331 -16.100 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.533 -7.688 -16.869 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.672 -9.581 -18.434 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.627 -9.895 -16.998 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.356 -7.226 -18.456 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.796 -7.505 -18.783 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.897 -8.869 -19.488 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.733 -9.065 -17.929 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.926 -6.357 -16.740 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -6.859 -7.919 -15.889 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.403 -6.900 -15.996 1.00 0.00 H new ATOM 682 N GLY B 13 -4.060 -7.605 -14.474 1.00 0.00 N ATOM 683 CA GLY B 13 -4.435 -7.547 -13.033 1.00 0.00 C ATOM 684 C GLY B 13 -4.636 -6.092 -12.611 1.00 0.00 C ATOM 685 O GLY B 13 -5.650 -5.735 -12.041 1.00 0.00 O ATOM 0 H GLY B 13 -3.648 -6.751 -14.851 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.350 -8.115 -12.862 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -3.656 -8.008 -12.426 1.00 0.00 H new ATOM 689 N LYS B 14 -3.678 -5.248 -12.879 1.00 0.00 N ATOM 690 CA LYS B 14 -3.814 -3.816 -12.486 1.00 0.00 C ATOM 691 C LYS B 14 -4.176 -2.961 -13.703 1.00 0.00 C ATOM 692 O LYS B 14 -4.219 -3.439 -14.819 1.00 0.00 O ATOM 693 CB LYS B 14 -2.437 -3.424 -11.948 1.00 0.00 C ATOM 694 CG LYS B 14 -2.514 -3.238 -10.431 1.00 0.00 C ATOM 695 CD LYS B 14 -1.106 -3.032 -9.872 1.00 0.00 C ATOM 696 CE LYS B 14 -0.975 -3.766 -8.535 1.00 0.00 C ATOM 697 NZ LYS B 14 -0.257 -5.029 -8.860 1.00 0.00 N ATOM 0 H LYS B 14 -2.807 -5.487 -13.353 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.602 -3.664 -11.748 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.706 -4.195 -12.194 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.099 -2.502 -12.421 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.142 -2.380 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.976 -4.111 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.365 -3.406 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.909 -1.969 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.419 -3.171 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.953 -3.969 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.129 -5.588 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.813 -5.578 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.673 -4.805 -9.268 1.00 0.00 H new ATOM 711 N LYS B 15 -4.436 -1.700 -13.494 1.00 0.00 N ATOM 712 CA LYS B 15 -4.795 -0.813 -14.639 1.00 0.00 C ATOM 713 C LYS B 15 -4.163 0.568 -14.454 1.00 0.00 C ATOM 714 O LYS B 15 -3.917 0.996 -13.344 1.00 0.00 O ATOM 715 CB LYS B 15 -6.320 -0.716 -14.604 1.00 0.00 C ATOM 716 CG LYS B 15 -6.772 -0.252 -13.217 1.00 0.00 C ATOM 717 CD LYS B 15 -8.231 -0.657 -12.994 1.00 0.00 C ATOM 718 CE LYS B 15 -8.679 -0.208 -11.602 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.300 -1.417 -10.991 1.00 0.00 N ATOM 0 H LYS B 15 -4.416 -1.245 -12.581 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.435 -1.202 -15.592 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.668 -0.016 -15.364 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.762 -1.685 -14.837 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.139 -0.696 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.666 0.829 -13.131 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.866 -0.204 -13.756 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.338 -1.737 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.835 0.145 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.392 0.615 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.633 -1.189 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.105 -1.726 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.596 -2.181 -10.941 1.00 0.00 H new ATOM 733 N PRO B 16 -3.920 1.220 -15.558 1.00 0.00 N ATOM 734 CA PRO B 16 -3.307 2.570 -15.528 1.00 0.00 C ATOM 735 C PRO B 16 -4.315 3.613 -15.036 1.00 0.00 C ATOM 736 O PRO B 16 -5.512 3.415 -15.100 1.00 0.00 O ATOM 737 CB PRO B 16 -2.931 2.823 -16.986 1.00 0.00 C ATOM 738 CG PRO B 16 -3.855 1.957 -17.781 1.00 0.00 C ATOM 739 CD PRO B 16 -4.191 0.764 -16.925 1.00 0.00 C ATOM 0 HA PRO B 16 -2.454 2.636 -14.852 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.052 3.874 -17.248 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.889 2.566 -17.175 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.758 2.504 -18.051 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.383 1.642 -18.712 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.232 0.466 -17.047 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.579 -0.100 -17.186 1.00 0.00 H new ATOM 747 N ILE B 17 -3.834 4.720 -14.546 1.00 0.00 N ATOM 748 CA ILE B 17 -4.743 5.786 -14.048 1.00 0.00 C ATOM 749 C ILE B 17 -4.030 7.136 -14.103 1.00 0.00 C ATOM 750 O ILE B 17 -3.815 7.772 -13.095 1.00 0.00 O ATOM 751 CB ILE B 17 -5.069 5.407 -12.598 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.830 4.819 -11.913 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.196 4.374 -12.579 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.172 4.443 -10.471 1.00 0.00 C ATOM 0 H ILE B 17 -2.840 4.933 -14.469 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.648 5.870 -14.649 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.382 6.303 -12.062 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.484 3.940 -12.457 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.016 5.543 -11.927 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.426 4.106 -11.548 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -7.084 4.795 -13.051 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.883 3.484 -13.124 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.290 4.025 -9.985 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.497 5.332 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.973 3.703 -10.468 1.00 0.00 H new ATOM 766 N TYR B 18 -3.654 7.571 -15.275 1.00 0.00 N ATOM 767 CA TYR B 18 -2.936 8.873 -15.395 1.00 0.00 C ATOM 768 C TYR B 18 -3.866 10.049 -15.079 1.00 0.00 C ATOM 769 O TYR B 18 -5.031 9.874 -14.783 1.00 0.00 O ATOM 770 CB TYR B 18 -2.477 8.938 -16.852 1.00 0.00 C ATOM 771 CG TYR B 18 -0.986 8.707 -16.924 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.142 9.285 -15.969 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.450 7.913 -17.947 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.240 9.070 -16.036 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.933 7.698 -18.014 1.00 0.00 C ATOM 776 CZ TYR B 18 1.778 8.277 -17.058 1.00 0.00 C ATOM 777 OH TYR B 18 3.140 8.064 -17.123 1.00 0.00 O ATOM 0 H TYR B 18 -3.813 7.081 -16.155 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.105 8.939 -14.693 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -3.001 8.186 -17.443 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.726 9.909 -17.279 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.556 9.896 -15.181 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.102 7.467 -18.683 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.892 9.516 -15.299 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.347 7.086 -18.802 1.00 0.00 H new ATOM 0 HH TYR B 18 3.345 7.491 -17.891 1.00 0.00 H new ATOM 787 N LYS B 19 -3.349 11.247 -15.140 1.00 0.00 N ATOM 788 CA LYS B 19 -4.182 12.447 -14.846 1.00 0.00 C ATOM 789 C LYS B 19 -4.585 12.461 -13.369 1.00 0.00 C ATOM 790 O LYS B 19 -5.324 11.613 -12.908 1.00 0.00 O ATOM 791 CB LYS B 19 -5.416 12.309 -15.738 1.00 0.00 C ATOM 792 CG LYS B 19 -5.791 13.679 -16.309 1.00 0.00 C ATOM 793 CD LYS B 19 -6.685 13.496 -17.536 1.00 0.00 C ATOM 794 CE LYS B 19 -6.313 14.533 -18.598 1.00 0.00 C ATOM 795 NZ LYS B 19 -6.749 15.839 -18.030 1.00 0.00 N ATOM 0 H LYS B 19 -2.378 11.446 -15.383 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.646 13.376 -15.039 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -5.215 11.608 -16.548 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.249 11.902 -15.164 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -6.309 14.270 -15.554 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -4.891 14.230 -16.581 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -6.567 12.490 -17.938 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.733 13.607 -17.256 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -5.241 14.527 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -6.814 14.327 -19.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -6.766 16.557 -18.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -7.701 15.740 -17.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -6.084 16.133 -17.286 1.00 0.00 H new ATOM 809 N LYS B 20 -4.105 13.419 -12.624 1.00 0.00 N ATOM 810 CA LYS B 20 -4.457 13.489 -11.178 1.00 0.00 C ATOM 811 C LYS B 20 -3.966 14.809 -10.579 1.00 0.00 C ATOM 812 O LYS B 20 -3.279 14.831 -9.578 1.00 0.00 O ATOM 813 CB LYS B 20 -3.730 12.308 -10.537 1.00 0.00 C ATOM 814 CG LYS B 20 -4.508 11.827 -9.312 1.00 0.00 C ATOM 815 CD LYS B 20 -3.532 11.240 -8.288 1.00 0.00 C ATOM 816 CE LYS B 20 -4.003 11.589 -6.875 1.00 0.00 C ATOM 817 NZ LYS B 20 -5.089 10.614 -6.581 1.00 0.00 N ATOM 0 H LYS B 20 -3.484 14.157 -12.955 1.00 0.00 H new ATOM 0 HA LYS B 20 -5.533 13.445 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -3.629 11.496 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -2.722 12.603 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -5.061 12.656 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -5.241 11.075 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -3.472 10.158 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.530 11.635 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -3.189 11.503 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -4.368 12.615 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -5.452 10.778 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -5.860 10.735 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -4.714 9.646 -6.648 1.00 0.00 H new ATOM 831 N ALA B 21 -4.314 15.909 -11.187 1.00 0.00 N ATOM 832 CA ALA B 21 -3.867 17.228 -10.655 1.00 0.00 C ATOM 833 C ALA B 21 -4.592 18.365 -11.381 1.00 0.00 C ATOM 834 O ALA B 21 -4.062 18.950 -12.304 1.00 0.00 O ATOM 835 CB ALA B 21 -2.366 17.283 -10.939 1.00 0.00 C ATOM 0 H ALA B 21 -4.888 15.952 -12.029 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.085 17.339 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -1.961 18.228 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -1.869 16.456 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.196 17.205 -12.013 1.00 0.00 H new ATOM 841 N PRO B 22 -5.787 18.638 -10.932 1.00 0.00 N ATOM 842 CA PRO B 22 -6.600 19.717 -11.542 1.00 0.00 C ATOM 843 C PRO B 22 -6.054 21.089 -11.135 1.00 0.00 C ATOM 844 O PRO B 22 -6.387 21.616 -10.093 1.00 0.00 O ATOM 845 CB PRO B 22 -7.992 19.490 -10.959 1.00 0.00 C ATOM 846 CG PRO B 22 -7.761 18.764 -9.671 1.00 0.00 C ATOM 847 CD PRO B 22 -6.486 17.975 -9.826 1.00 0.00 C ATOM 0 HA PRO B 22 -6.593 19.697 -12.632 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -8.508 20.435 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -8.612 18.903 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -7.680 19.467 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -8.598 18.103 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -5.893 17.993 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -6.690 16.929 -10.053 1.00 0.00 H new ATOM 855 N THR B 23 -5.214 21.668 -11.949 1.00 0.00 N ATOM 856 CA THR B 23 -4.645 23.003 -11.606 1.00 0.00 C ATOM 857 C THR B 23 -4.067 22.984 -10.188 1.00 0.00 C ATOM 858 O THR B 23 -4.734 23.324 -9.231 1.00 0.00 O ATOM 859 CB THR B 23 -5.826 23.972 -11.693 1.00 0.00 C ATOM 860 OG1 THR B 23 -6.408 23.892 -12.987 1.00 0.00 O ATOM 861 CG2 THR B 23 -5.337 25.399 -11.437 1.00 0.00 C ATOM 0 H THR B 23 -4.897 21.275 -12.836 1.00 0.00 H new ATOM 0 HA THR B 23 -3.833 23.290 -12.274 1.00 0.00 H new ATOM 0 HB THR B 23 -6.571 23.706 -10.943 1.00 0.00 H new ATOM 0 HG1 THR B 23 -7.166 24.511 -13.044 1.00 0.00 H new ATOM 0 HG21 THR B 23 -6.179 26.089 -11.499 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.892 25.458 -10.444 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.592 25.668 -12.185 1.00 0.00 H new ATOM 869 N ASN B 24 -2.832 22.589 -10.047 1.00 0.00 N ATOM 870 CA ASN B 24 -2.212 22.546 -8.691 1.00 0.00 C ATOM 871 C ASN B 24 -0.866 23.274 -8.699 1.00 0.00 C ATOM 872 O ASN B 24 0.183 22.662 -8.738 1.00 0.00 O ATOM 873 CB ASN B 24 -2.016 21.060 -8.392 1.00 0.00 C ATOM 874 CG ASN B 24 -3.260 20.510 -7.691 1.00 0.00 C ATOM 875 OD1 ASN B 24 -4.174 19.899 -8.394 1.00 0.00 O flip ATOM 876 ND2 ASN B 24 -3.402 20.640 -6.491 1.00 0.00 N flip ATOM 0 H ASN B 24 -2.225 22.294 -10.811 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.831 23.035 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.836 20.513 -9.317 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.138 20.918 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -2.687 21.118 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -4.236 20.271 -6.033 1.00 0.00 H new