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+ -172:sc= 0 (180deg=-0.0329) 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+ -129:sc= 0 (180deg=-0.175) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0105 (180deg=-0.349) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.5!) USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.031) 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+ 153:sc= -0.0173 (180deg=-0.189) USER MOD Single : B 20 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.341) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -1.016 -14.233 -17.459 1.00 0.00 N ATOM 156 CA TYR A 10 -2.149 -13.933 -18.382 1.00 0.00 C ATOM 157 C TYR A 10 -2.061 -12.485 -18.869 1.00 0.00 C ATOM 158 O TYR A 10 -1.909 -12.225 -20.046 1.00 0.00 O ATOM 159 CB TYR A 10 -3.412 -14.146 -17.548 1.00 0.00 C ATOM 160 CG TYR A 10 -4.417 -14.933 -18.353 1.00 0.00 C ATOM 161 CD1 TYR A 10 -4.409 -16.333 -18.305 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.356 -14.265 -19.149 1.00 0.00 C ATOM 163 CE1 TYR A 10 -5.341 -17.065 -19.053 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.288 -14.996 -19.898 1.00 0.00 C ATOM 165 CZ TYR A 10 -6.280 -16.396 -19.849 1.00 0.00 C ATOM 166 OH TYR A 10 -7.197 -17.118 -20.587 1.00 0.00 O ATOM 0 HA TYR A 10 -2.139 -14.568 -19.268 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.169 -14.679 -16.629 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.835 -13.185 -17.257 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.685 -16.848 -17.692 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.362 -13.186 -19.186 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.335 -18.144 -19.016 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.012 -14.481 -20.512 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.776 -16.502 -21.082 1.00 0.00 H new ATOM 176 N ASP A 11 -2.152 -11.539 -17.974 1.00 0.00 N ATOM 177 CA ASP A 11 -2.068 -10.112 -18.395 1.00 0.00 C ATOM 178 C ASP A 11 -1.885 -9.206 -17.178 1.00 0.00 C ATOM 179 O ASP A 11 -2.393 -8.104 -17.127 1.00 0.00 O ATOM 180 CB ASP A 11 -3.397 -9.820 -19.091 1.00 0.00 C ATOM 181 CG ASP A 11 -3.152 -9.603 -20.586 1.00 0.00 C ATOM 182 OD1 ASP A 11 -2.331 -8.763 -20.915 1.00 0.00 O ATOM 183 OD2 ASP A 11 -3.788 -10.281 -21.375 1.00 0.00 O ATOM 0 H ASP A 11 -2.280 -11.692 -16.974 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.218 -9.929 -19.052 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.088 -10.649 -18.941 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.861 -8.935 -18.655 1.00 0.00 H new ATOM 188 N LEU A 12 -1.150 -9.663 -16.205 1.00 0.00 N ATOM 189 CA LEU A 12 -0.917 -8.837 -14.987 1.00 0.00 C ATOM 190 C LEU A 12 0.152 -7.778 -15.265 1.00 0.00 C ATOM 191 O LEU A 12 0.569 -7.055 -14.381 1.00 0.00 O ATOM 192 CB LEU A 12 -0.436 -9.824 -13.922 1.00 0.00 C ATOM 193 CG LEU A 12 0.781 -10.586 -14.446 1.00 0.00 C ATOM 194 CD1 LEU A 12 2.004 -10.246 -13.593 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.510 -12.091 -14.370 1.00 0.00 C ATOM 0 H LEU A 12 -0.698 -10.577 -16.200 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.814 -8.305 -14.670 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.178 -9.291 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.235 -10.522 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 12 0.970 -10.301 -15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.871 -10.790 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.197 -9.175 -13.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.816 -10.531 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.377 -12.636 -14.743 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.321 -12.375 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.361 -12.335 -14.978 1.00 0.00 H new ATOM 207 N GLY A 13 0.593 -7.674 -16.488 1.00 0.00 N ATOM 208 CA GLY A 13 1.626 -6.655 -16.821 1.00 0.00 C ATOM 209 C GLY A 13 1.002 -5.262 -16.733 1.00 0.00 C ATOM 210 O GLY A 13 1.678 -4.259 -16.840 1.00 0.00 O ATOM 0 H GLY A 13 0.283 -8.250 -17.270 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.468 -6.734 -16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.017 -6.829 -17.824 1.00 0.00 H new ATOM 214 N LYS A 14 -0.288 -5.193 -16.535 1.00 0.00 N ATOM 215 CA LYS A 14 -0.958 -3.869 -16.435 1.00 0.00 C ATOM 216 C LYS A 14 -0.694 -3.248 -15.059 1.00 0.00 C ATOM 217 O LYS A 14 -0.598 -3.941 -14.067 1.00 0.00 O ATOM 218 CB LYS A 14 -2.447 -4.168 -16.619 1.00 0.00 C ATOM 219 CG LYS A 14 -2.663 -4.843 -17.976 1.00 0.00 C ATOM 220 CD LYS A 14 -4.132 -4.713 -18.384 1.00 0.00 C ATOM 221 CE LYS A 14 -4.354 -5.415 -19.726 1.00 0.00 C ATOM 222 NZ LYS A 14 -3.945 -4.418 -20.753 1.00 0.00 N ATOM 0 H LYS A 14 -0.905 -5.999 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.592 -3.159 -17.176 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.802 -4.816 -15.817 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.025 -3.245 -16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.024 -4.382 -18.729 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.382 -5.895 -17.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.773 -5.154 -17.621 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.407 -3.661 -18.462 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.758 -6.325 -19.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.397 -5.706 -19.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.194 -4.772 -21.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.437 -3.518 -20.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.917 -4.266 -20.700 1.00 0.00 H new ATOM 236 N LYS A 15 -0.572 -1.950 -14.990 1.00 0.00 N ATOM 237 CA LYS A 15 -0.311 -1.297 -13.673 1.00 0.00 C ATOM 238 C LYS A 15 -0.832 0.144 -13.680 1.00 0.00 C ATOM 239 O LYS A 15 -0.926 0.767 -14.718 1.00 0.00 O ATOM 240 CB LYS A 15 1.209 -1.320 -13.510 1.00 0.00 C ATOM 241 CG LYS A 15 1.608 -2.505 -12.628 1.00 0.00 C ATOM 242 CD LYS A 15 3.044 -2.318 -12.134 1.00 0.00 C ATOM 243 CE LYS A 15 4.004 -2.356 -13.325 1.00 0.00 C ATOM 244 NZ LYS A 15 4.982 -1.263 -13.063 1.00 0.00 N ATOM 0 H LYS A 15 -0.641 -1.315 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.815 -1.810 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.689 -1.401 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.552 -0.387 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.928 -2.585 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.525 -3.435 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.138 -1.368 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.300 -3.103 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.502 -3.323 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.475 -2.196 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.675 -1.225 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.479 -0.354 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.475 -1.446 -12.166 1.00 0.00 H new ATOM 258 N PRO A 16 -1.158 0.620 -12.509 1.00 0.00 N ATOM 259 CA PRO A 16 -1.682 2.001 -12.362 1.00 0.00 C ATOM 260 C PRO A 16 -0.560 3.029 -12.539 1.00 0.00 C ATOM 261 O PRO A 16 0.607 2.724 -12.390 1.00 0.00 O ATOM 262 CB PRO A 16 -2.221 2.028 -10.933 1.00 0.00 C ATOM 263 CG PRO A 16 -1.452 0.969 -10.208 1.00 0.00 C ATOM 264 CD PRO A 16 -1.071 -0.079 -11.221 1.00 0.00 C ATOM 0 HA PRO A 16 -2.438 2.250 -13.106 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.074 3.006 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.291 1.823 -10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.563 1.392 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.055 0.533 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.066 -0.460 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.747 -0.933 -11.184 1.00 0.00 H new ATOM 272 N ILE A 17 -0.909 4.247 -12.855 1.00 0.00 N ATOM 273 CA ILE A 17 0.122 5.302 -13.045 1.00 0.00 C ATOM 274 C ILE A 17 -0.523 6.684 -12.945 1.00 0.00 C ATOM 275 O ILE A 17 -0.630 7.395 -13.921 1.00 0.00 O ATOM 276 CB ILE A 17 0.677 5.072 -14.450 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.472 4.774 -15.417 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.648 3.890 -14.431 1.00 0.00 C ATOM 279 CD1 ILE A 17 0.028 4.898 -16.857 1.00 0.00 C ATOM 0 H ILE A 17 -1.872 4.556 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 17 0.905 5.256 -12.288 1.00 0.00 H new ATOM 0 HB ILE A 17 1.203 5.968 -14.780 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.859 3.770 -15.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.295 5.468 -15.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.043 3.727 -15.434 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.470 4.105 -13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.124 2.994 -14.098 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.790 4.686 -17.546 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.394 5.910 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.837 4.186 -17.024 1.00 0.00 H new ATOM 291 N TYR A 18 -0.963 7.063 -11.776 1.00 0.00 N ATOM 292 CA TYR A 18 -1.619 8.395 -11.613 1.00 0.00 C ATOM 293 C TYR A 18 -0.582 9.518 -11.514 1.00 0.00 C ATOM 294 O TYR A 18 0.547 9.383 -11.941 1.00 0.00 O ATOM 295 CB TYR A 18 -2.406 8.286 -10.307 1.00 0.00 C ATOM 296 CG TYR A 18 -3.885 8.368 -10.597 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.375 9.348 -11.469 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.768 7.461 -9.993 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.749 9.423 -11.738 1.00 0.00 C ATOM 300 CE2 TYR A 18 -6.141 7.536 -10.262 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.631 8.517 -11.136 1.00 0.00 C ATOM 302 OH TYR A 18 -7.984 8.590 -11.400 1.00 0.00 O ATOM 0 H TYR A 18 -0.897 6.507 -10.923 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.253 8.637 -12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.175 7.344 -9.809 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.114 9.086 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.695 10.046 -11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.390 6.705 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.127 10.180 -12.410 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.822 6.839 -9.796 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.453 7.888 -10.902 1.00 0.00 H new ATOM 312 N LYS A 19 -0.974 10.628 -10.949 1.00 0.00 N ATOM 313 CA LYS A 19 -0.040 11.784 -10.806 1.00 0.00 C ATOM 314 C LYS A 19 0.411 12.283 -12.182 1.00 0.00 C ATOM 315 O LYS A 19 1.418 11.854 -12.710 1.00 0.00 O ATOM 316 CB LYS A 19 1.148 11.245 -10.010 1.00 0.00 C ATOM 317 CG LYS A 19 1.486 12.221 -8.882 1.00 0.00 C ATOM 318 CD LYS A 19 2.900 11.945 -8.371 1.00 0.00 C ATOM 319 CE LYS A 19 2.913 12.012 -6.842 1.00 0.00 C ATOM 320 NZ LYS A 19 2.290 10.734 -6.397 1.00 0.00 N ATOM 0 H LYS A 19 -1.910 10.785 -10.577 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.511 12.630 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.910 10.264 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.010 11.115 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.412 13.247 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.768 12.116 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.234 10.963 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.596 12.675 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.929 12.110 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.351 12.873 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.533 10.936 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.891 10.238 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.011 10.134 -5.947 1.00 0.00 H new ATOM 334 N LYS A 20 -0.326 13.194 -12.761 1.00 0.00 N ATOM 335 CA LYS A 20 0.059 13.731 -14.099 1.00 0.00 C ATOM 336 C LYS A 20 -0.968 14.762 -14.574 1.00 0.00 C ATOM 337 O LYS A 20 -1.943 14.432 -15.219 1.00 0.00 O ATOM 338 CB LYS A 20 0.071 12.518 -15.030 1.00 0.00 C ATOM 339 CG LYS A 20 0.328 12.982 -16.466 1.00 0.00 C ATOM 340 CD LYS A 20 -0.248 11.957 -17.445 1.00 0.00 C ATOM 341 CE LYS A 20 0.207 12.299 -18.866 1.00 0.00 C ATOM 342 NZ LYS A 20 -0.567 13.518 -19.234 1.00 0.00 N ATOM 0 H LYS A 20 -1.179 13.590 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 20 1.026 14.234 -14.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.844 11.815 -14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.881 11.991 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.131 13.957 -16.632 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.398 13.100 -16.635 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.085 10.954 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.337 11.957 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.280 12.486 -18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.003 11.479 -19.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.524 13.659 -20.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.558 13.401 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.160 14.346 -18.754 1.00 0.00 H new ATOM 356 N ALA A 21 -0.754 16.012 -14.262 1.00 0.00 N ATOM 357 CA ALA A 21 -1.716 17.067 -14.695 1.00 0.00 C ATOM 358 C ALA A 21 -1.104 18.456 -14.493 1.00 0.00 C ATOM 359 O ALA A 21 -1.483 19.176 -13.590 1.00 0.00 O ATOM 360 CB ALA A 21 -2.938 16.880 -13.796 1.00 0.00 C ATOM 0 H ALA A 21 0.046 16.349 -13.726 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.972 16.986 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.695 17.621 -14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.346 15.880 -13.940 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.645 17.006 -12.754 1.00 0.00 H new ATOM 366 N PRO A 22 -0.172 18.785 -15.346 1.00 0.00 N ATOM 367 CA PRO A 22 0.507 20.102 -15.266 1.00 0.00 C ATOM 368 C PRO A 22 -0.430 21.217 -15.740 1.00 0.00 C ATOM 369 O PRO A 22 -0.216 21.826 -16.769 1.00 0.00 O ATOM 370 CB PRO A 22 1.693 19.950 -16.214 1.00 0.00 C ATOM 371 CG PRO A 22 1.283 18.885 -17.182 1.00 0.00 C ATOM 372 CD PRO A 22 0.333 17.968 -16.455 1.00 0.00 C ATOM 0 HA PRO A 22 0.808 20.369 -14.253 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.910 20.887 -16.727 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.596 19.666 -15.674 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.802 19.324 -18.056 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.153 18.334 -17.540 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.476 17.635 -17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.840 17.074 -16.093 1.00 0.00 H new ATOM 380 N THR A 23 -1.468 21.489 -14.998 1.00 0.00 N ATOM 381 CA THR A 23 -2.414 22.565 -15.408 1.00 0.00 C ATOM 382 C THR A 23 -3.243 23.027 -14.206 1.00 0.00 C ATOM 383 O THR A 23 -3.676 22.232 -13.395 1.00 0.00 O ATOM 384 CB THR A 23 -3.313 21.921 -16.464 1.00 0.00 C ATOM 385 OG1 THR A 23 -3.529 20.556 -16.132 1.00 0.00 O ATOM 386 CG2 THR A 23 -2.639 22.015 -17.834 1.00 0.00 C ATOM 0 H THR A 23 -1.702 21.013 -14.127 1.00 0.00 H new ATOM 0 HA THR A 23 -1.898 23.444 -15.794 1.00 0.00 H new ATOM 0 HB THR A 23 -4.270 22.442 -16.495 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.107 20.143 -16.807 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.280 21.556 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.474 23.062 -18.087 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.682 21.494 -17.805 1.00 0.00 H new ATOM 394 N ASN A 24 -3.468 24.307 -14.087 1.00 0.00 N ATOM 395 CA ASN A 24 -4.270 24.819 -12.938 1.00 0.00 C ATOM 396 C ASN A 24 -5.732 25.001 -13.354 1.00 0.00 C ATOM 397 O ASN A 24 -6.643 24.678 -12.618 1.00 0.00 O ATOM 398 CB ASN A 24 -3.641 26.166 -12.585 1.00 0.00 C ATOM 399 CG ASN A 24 -4.129 26.611 -11.206 1.00 0.00 C ATOM 400 OD1 ASN A 24 -5.167 26.178 -10.747 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.419 27.465 -10.520 1.00 0.00 N ATOM 0 H ASN A 24 -3.132 25.020 -14.734 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.264 24.133 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.554 26.084 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.907 26.911 -13.335 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.736 27.768 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.547 27.829 -10.905 1.00 0.00 H new ATOM 630 N TYR B 10 -4.637 -14.505 -13.780 1.00 0.00 N ATOM 631 CA TYR B 10 -3.483 -14.452 -12.838 1.00 0.00 C ATOM 632 C TYR B 10 -3.486 -13.126 -12.074 1.00 0.00 C ATOM 633 O TYR B 10 -3.608 -13.096 -10.866 1.00 0.00 O ATOM 634 CB TYR B 10 -2.241 -14.562 -13.722 1.00 0.00 C ATOM 635 CG TYR B 10 -1.275 -15.546 -13.105 1.00 0.00 C ATOM 636 CD1 TYR B 10 -1.363 -16.907 -13.425 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.292 -15.097 -12.212 1.00 0.00 C ATOM 638 CE1 TYR B 10 -0.468 -17.820 -12.853 1.00 0.00 C ATOM 639 CE2 TYR B 10 0.603 -16.012 -11.639 1.00 0.00 C ATOM 640 CZ TYR B 10 0.515 -17.373 -11.959 1.00 0.00 C ATOM 641 OH TYR B 10 1.397 -18.272 -11.396 1.00 0.00 O ATOM 0 HA TYR B 10 -3.521 -15.247 -12.093 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.521 -14.889 -14.723 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.767 -13.586 -13.826 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.121 -17.252 -14.113 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.224 -14.048 -11.966 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -0.535 -18.869 -13.101 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.360 -15.667 -10.951 1.00 0.00 H new ATOM 0 HH TYR B 10 2.014 -17.796 -10.801 1.00 0.00 H new ATOM 651 N ASP B 11 -3.357 -12.028 -12.768 1.00 0.00 N ATOM 652 CA ASP B 11 -3.358 -10.709 -12.073 1.00 0.00 C ATOM 653 C ASP B 11 -3.497 -9.572 -13.085 1.00 0.00 C ATOM 654 O ASP B 11 -2.933 -8.509 -12.924 1.00 0.00 O ATOM 655 CB ASP B 11 -2.009 -10.632 -11.359 1.00 0.00 C ATOM 656 CG ASP B 11 -2.228 -10.700 -9.846 1.00 0.00 C ATOM 657 OD1 ASP B 11 -2.998 -9.900 -9.342 1.00 0.00 O ATOM 658 OD2 ASP B 11 -1.621 -11.552 -9.218 1.00 0.00 O ATOM 0 H ASP B 11 -3.251 -11.987 -13.782 1.00 0.00 H new ATOM 0 HA ASP B 11 -4.192 -10.614 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.367 -11.452 -11.682 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.499 -9.706 -11.622 1.00 0.00 H new ATOM 663 N LEU B 12 -4.258 -9.788 -14.120 1.00 0.00 N ATOM 664 CA LEU B 12 -4.453 -8.726 -15.148 1.00 0.00 C ATOM 665 C LEU B 12 -5.460 -7.689 -14.651 1.00 0.00 C ATOM 666 O LEU B 12 -5.840 -6.785 -15.368 1.00 0.00 O ATOM 667 CB LEU B 12 -4.992 -9.457 -16.377 1.00 0.00 C ATOM 668 CG LEU B 12 -6.242 -10.249 -15.994 1.00 0.00 C ATOM 669 CD1 LEU B 12 -7.451 -9.686 -16.740 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.047 -11.718 -16.374 1.00 0.00 C ATOM 0 H LEU B 12 -4.757 -10.659 -14.300 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.530 -8.189 -15.368 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.230 -8.741 -17.164 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.232 -10.128 -16.776 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.410 -10.169 -14.920 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -8.342 -10.251 -16.467 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.589 -8.639 -16.472 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.285 -9.767 -17.814 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.937 -12.285 -16.102 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.881 -11.797 -17.448 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.184 -12.120 -15.843 1.00 0.00 H new ATOM 682 N GLY B 13 -5.889 -7.805 -13.423 1.00 0.00 N ATOM 683 CA GLY B 13 -6.860 -6.816 -12.880 1.00 0.00 C ATOM 684 C GLY B 13 -6.157 -5.468 -12.704 1.00 0.00 C ATOM 685 O GLY B 13 -6.775 -4.471 -12.388 1.00 0.00 O ATOM 0 H GLY B 13 -5.609 -8.541 -12.775 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.709 -6.712 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -7.254 -7.162 -11.925 1.00 0.00 H new ATOM 689 N LYS B 14 -4.868 -5.431 -12.909 1.00 0.00 N ATOM 690 CA LYS B 14 -4.122 -4.151 -12.759 1.00 0.00 C ATOM 691 C LYS B 14 -4.355 -3.261 -13.985 1.00 0.00 C ATOM 692 O LYS B 14 -4.477 -3.741 -15.094 1.00 0.00 O ATOM 693 CB LYS B 14 -2.653 -4.563 -12.662 1.00 0.00 C ATOM 694 CG LYS B 14 -2.465 -5.500 -11.467 1.00 0.00 C ATOM 695 CD LYS B 14 -0.986 -5.533 -11.072 1.00 0.00 C ATOM 696 CE LYS B 14 -0.792 -6.495 -9.897 1.00 0.00 C ATOM 697 NZ LYS B 14 -1.134 -5.698 -8.687 1.00 0.00 N ATOM 0 H LYS B 14 -4.299 -6.235 -13.175 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.443 -3.580 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.342 -5.061 -13.581 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.023 -3.681 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.070 -5.160 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.807 -6.503 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.379 -5.851 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.650 -4.533 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.438 -7.368 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.234 -6.861 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.266 -5.483 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -1.593 -4.810 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -1.782 -6.243 -8.084 1.00 0.00 H new ATOM 711 N LYS B 15 -4.422 -1.971 -13.796 1.00 0.00 N ATOM 712 CA LYS B 15 -4.650 -1.061 -14.958 1.00 0.00 C ATOM 713 C LYS B 15 -4.049 0.321 -14.680 1.00 0.00 C ATOM 714 O LYS B 15 -3.914 0.723 -13.542 1.00 0.00 O ATOM 715 CB LYS B 15 -6.170 -0.968 -15.099 1.00 0.00 C ATOM 716 CG LYS B 15 -6.643 -1.938 -16.184 1.00 0.00 C ATOM 717 CD LYS B 15 -8.070 -1.580 -16.603 1.00 0.00 C ATOM 718 CE LYS B 15 -9.019 -1.798 -15.423 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.936 -0.625 -15.444 1.00 0.00 N ATOM 0 H LYS B 15 -4.329 -1.508 -12.892 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.179 -1.432 -15.868 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.649 -1.206 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.460 0.051 -15.356 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.977 -1.889 -17.045 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.608 -2.962 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.114 -0.542 -16.932 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.377 -2.195 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -9.571 -2.732 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.472 -1.855 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.618 -0.703 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.384 0.249 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.448 -0.601 -16.349 1.00 0.00 H new ATOM 733 N PRO B 16 -3.705 1.000 -15.742 1.00 0.00 N ATOM 734 CA PRO B 16 -3.106 2.353 -15.624 1.00 0.00 C ATOM 735 C PRO B 16 -4.168 3.385 -15.229 1.00 0.00 C ATOM 736 O PRO B 16 -5.351 3.177 -15.412 1.00 0.00 O ATOM 737 CB PRO B 16 -2.578 2.632 -17.028 1.00 0.00 C ATOM 738 CG PRO B 16 -3.407 1.778 -17.934 1.00 0.00 C ATOM 739 CD PRO B 16 -3.840 0.573 -17.139 1.00 0.00 C ATOM 0 HA PRO B 16 -2.332 2.410 -14.859 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.675 3.687 -17.283 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.520 2.381 -17.108 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.273 2.331 -18.297 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -2.832 1.475 -18.809 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -4.866 0.289 -17.372 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.213 -0.293 -17.354 1.00 0.00 H new ATOM 747 N ILE B 17 -3.750 4.498 -14.690 1.00 0.00 N ATOM 748 CA ILE B 17 -4.719 5.550 -14.281 1.00 0.00 C ATOM 749 C ILE B 17 -3.998 6.888 -14.121 1.00 0.00 C ATOM 750 O ILE B 17 -3.844 7.387 -13.028 1.00 0.00 O ATOM 751 CB ILE B 17 -5.275 5.080 -12.937 1.00 0.00 C ATOM 752 CG1 ILE B 17 -4.136 4.546 -12.064 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.306 3.973 -13.164 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.622 4.397 -10.621 1.00 0.00 C ATOM 0 H ILE B 17 -2.771 4.724 -14.515 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.509 5.695 -15.018 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.752 5.921 -12.434 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.793 3.584 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.285 5.226 -12.103 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.700 3.640 -12.204 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -7.121 4.355 -13.778 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.832 3.133 -13.672 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.810 4.017 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.943 5.368 -10.243 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.460 3.700 -10.589 1.00 0.00 H new ATOM 766 N TYR B 18 -3.544 7.463 -15.203 1.00 0.00 N ATOM 767 CA TYR B 18 -2.814 8.764 -15.114 1.00 0.00 C ATOM 768 C TYR B 18 -3.787 9.940 -14.977 1.00 0.00 C ATOM 769 O TYR B 18 -4.924 9.785 -14.578 1.00 0.00 O ATOM 770 CB TYR B 18 -2.046 8.869 -16.431 1.00 0.00 C ATOM 771 CG TYR B 18 -0.562 8.812 -16.159 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.009 9.577 -15.122 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.264 7.997 -16.944 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.367 9.524 -14.869 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.641 7.946 -16.693 1.00 0.00 C ATOM 776 CZ TYR B 18 2.193 8.709 -15.656 1.00 0.00 C ATOM 777 OH TYR B 18 3.549 8.657 -15.409 1.00 0.00 O ATOM 0 H TYR B 18 -3.647 7.088 -16.146 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.162 8.800 -14.241 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.335 8.057 -17.098 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.298 9.801 -16.937 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.645 10.207 -14.518 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.161 7.408 -17.743 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.792 10.111 -14.068 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.277 7.318 -17.299 1.00 0.00 H new ATOM 0 HH TYR B 18 3.974 8.044 -16.044 1.00 0.00 H new ATOM 787 N LYS B 19 -3.332 11.119 -15.309 1.00 0.00 N ATOM 788 CA LYS B 19 -4.200 12.328 -15.210 1.00 0.00 C ATOM 789 C LYS B 19 -4.619 12.572 -13.758 1.00 0.00 C ATOM 790 O LYS B 19 -5.646 12.101 -13.310 1.00 0.00 O ATOM 791 CB LYS B 19 -5.420 12.019 -16.079 1.00 0.00 C ATOM 792 CG LYS B 19 -5.716 13.215 -16.986 1.00 0.00 C ATOM 793 CD LYS B 19 -7.150 13.118 -17.511 1.00 0.00 C ATOM 794 CE LYS B 19 -7.175 13.481 -18.997 1.00 0.00 C ATOM 795 NZ LYS B 19 -6.632 12.283 -19.694 1.00 0.00 N ATOM 0 H LYS B 19 -2.387 11.297 -15.648 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.683 13.229 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -5.235 11.129 -16.681 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.283 11.804 -15.449 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.582 14.145 -16.434 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -5.013 13.235 -17.819 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.534 12.108 -17.366 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.800 13.790 -16.951 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.188 13.707 -19.331 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -6.568 14.364 -19.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -7.016 12.239 -20.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.595 12.347 -19.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -6.905 11.425 -19.173 1.00 0.00 H new ATOM 809 N LYS B 20 -3.834 13.313 -13.023 1.00 0.00 N ATOM 810 CA LYS B 20 -4.186 13.598 -11.601 1.00 0.00 C ATOM 811 C LYS B 20 -3.098 14.457 -10.951 1.00 0.00 C ATOM 812 O LYS B 20 -2.142 13.952 -10.396 1.00 0.00 O ATOM 813 CB LYS B 20 -4.264 12.230 -10.926 1.00 0.00 C ATOM 814 CG LYS B 20 -4.468 12.416 -9.422 1.00 0.00 C ATOM 815 CD LYS B 20 -3.940 11.189 -8.676 1.00 0.00 C ATOM 816 CE LYS B 20 -4.360 11.266 -7.207 1.00 0.00 C ATOM 817 NZ LYS B 20 -3.517 12.345 -6.623 1.00 0.00 N ATOM 0 H LYS B 20 -2.963 13.734 -13.346 1.00 0.00 H new ATOM 0 HA LYS B 20 -5.123 14.148 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -5.086 11.651 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -3.349 11.667 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -3.948 13.312 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -5.526 12.559 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -4.331 10.278 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.854 11.143 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -5.421 11.498 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -4.194 10.316 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -3.347 12.146 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.608 12.386 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -4.007 13.258 -6.718 1.00 0.00 H new ATOM 831 N ALA B 21 -3.237 15.753 -11.015 1.00 0.00 N ATOM 832 CA ALA B 21 -2.212 16.647 -10.402 1.00 0.00 C ATOM 833 C ALA B 21 -2.745 18.080 -10.317 1.00 0.00 C ATOM 834 O ALA B 21 -2.333 18.940 -11.069 1.00 0.00 O ATOM 835 CB ALA B 21 -1.010 16.575 -11.343 1.00 0.00 C ATOM 0 H ALA B 21 -4.016 16.232 -11.466 1.00 0.00 H new ATOM 0 HA ALA B 21 -1.952 16.345 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.210 17.208 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.659 15.545 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.303 16.920 -12.335 1.00 0.00 H new ATOM 841 N PRO B 22 -3.650 18.284 -9.399 1.00 0.00 N ATOM 842 CA PRO B 22 -4.252 19.625 -9.207 1.00 0.00 C ATOM 843 C PRO B 22 -3.249 20.574 -8.543 1.00 0.00 C ATOM 844 O PRO B 22 -3.420 20.977 -7.409 1.00 0.00 O ATOM 845 CB PRO B 22 -5.437 19.357 -8.284 1.00 0.00 C ATOM 846 CG PRO B 22 -5.083 18.101 -7.552 1.00 0.00 C ATOM 847 CD PRO B 22 -4.191 17.294 -8.462 1.00 0.00 C ATOM 0 HA PRO B 22 -4.545 20.100 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -5.594 20.185 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -6.360 19.236 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -4.572 18.331 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -5.981 17.539 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -3.397 16.797 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -4.750 16.516 -8.982 1.00 0.00 H new ATOM 855 N THR B 23 -2.206 20.934 -9.239 1.00 0.00 N ATOM 856 CA THR B 23 -1.195 21.856 -8.646 1.00 0.00 C ATOM 857 C THR B 23 -0.352 22.497 -9.749 1.00 0.00 C ATOM 858 O THR B 23 0.031 21.854 -10.707 1.00 0.00 O ATOM 859 CB THR B 23 -0.327 20.969 -7.752 1.00 0.00 C ATOM 860 OG1 THR B 23 -0.191 19.687 -8.347 1.00 0.00 O ATOM 861 CG2 THR B 23 -0.983 20.829 -6.378 1.00 0.00 C ATOM 0 H THR B 23 -2.010 20.630 -10.193 1.00 0.00 H new ATOM 0 HA THR B 23 -1.656 22.670 -8.087 1.00 0.00 H new ATOM 0 HB THR B 23 0.658 21.422 -7.637 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.366 19.119 -7.776 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.364 20.197 -5.742 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.085 21.814 -5.922 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.968 20.377 -6.490 1.00 0.00 H new ATOM 869 N ASN B 24 -0.058 23.762 -9.623 1.00 0.00 N ATOM 870 CA ASN B 24 0.762 24.445 -10.665 1.00 0.00 C ATOM 871 C ASN B 24 2.235 24.463 -10.249 1.00 0.00 C ATOM 872 O ASN B 24 3.119 24.239 -11.052 1.00 0.00 O ATOM 873 CB ASN B 24 0.204 25.866 -10.737 1.00 0.00 C ATOM 874 CG ASN B 24 0.706 26.549 -12.010 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.716 26.161 -12.564 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.038 27.556 -12.501 1.00 0.00 N ATOM 0 H ASN B 24 -0.350 24.353 -8.844 1.00 0.00 H new ATOM 0 HA ASN B 24 0.712 23.940 -11.630 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.886 25.841 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.514 26.435 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.363 28.018 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.809 27.881 -12.036 1.00 0.00 H new