USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.578 USER MOD Single : A 24 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.8!) 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= -0.224 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.571 USER MOD Single : B 24 ASN : amide:sc= -0.0725 K(o=-0.072,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -2.355 -16.765 -13.765 1.00 0.00 N ATOM 156 CA TYR A 10 -1.879 -15.453 -13.241 1.00 0.00 C ATOM 157 C TYR A 10 -2.938 -14.373 -13.481 1.00 0.00 C ATOM 158 O TYR A 10 -3.904 -14.584 -14.186 1.00 0.00 O ATOM 159 CB TYR A 10 -0.609 -15.145 -14.036 1.00 0.00 C ATOM 160 CG TYR A 10 0.511 -16.038 -13.558 1.00 0.00 C ATOM 161 CD1 TYR A 10 0.473 -17.413 -13.827 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.587 -15.493 -12.846 1.00 0.00 C ATOM 163 CE1 TYR A 10 1.511 -18.242 -13.383 1.00 0.00 C ATOM 164 CE2 TYR A 10 2.626 -16.322 -12.403 1.00 0.00 C ATOM 165 CZ TYR A 10 2.588 -17.697 -12.671 1.00 0.00 C ATOM 166 OH TYR A 10 3.610 -18.513 -12.233 1.00 0.00 O ATOM 0 HA TYR A 10 -1.691 -15.481 -12.168 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.786 -15.303 -15.100 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.333 -14.098 -13.910 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.356 -17.833 -14.376 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.616 -14.434 -12.638 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.481 -19.302 -13.589 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.456 -15.901 -11.855 1.00 0.00 H new ATOM 0 HH TYR A 10 4.277 -17.975 -11.758 1.00 0.00 H new ATOM 176 N ASP A 11 -2.763 -13.220 -12.898 1.00 0.00 N ATOM 177 CA ASP A 11 -3.758 -12.128 -13.090 1.00 0.00 C ATOM 178 C ASP A 11 -3.076 -10.765 -12.948 1.00 0.00 C ATOM 179 O ASP A 11 -3.325 -10.029 -12.014 1.00 0.00 O ATOM 180 CB ASP A 11 -4.790 -12.332 -11.979 1.00 0.00 C ATOM 181 CG ASP A 11 -6.023 -11.472 -12.262 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.036 -10.331 -11.830 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.933 -11.968 -12.904 1.00 0.00 O ATOM 0 H ASP A 11 -1.973 -12.986 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.216 -12.153 -14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.073 -13.383 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.359 -12.063 -11.015 1.00 0.00 H new ATOM 188 N LEU A 12 -2.217 -10.424 -13.869 1.00 0.00 N ATOM 189 CA LEU A 12 -1.517 -9.111 -13.787 1.00 0.00 C ATOM 190 C LEU A 12 -0.835 -8.794 -15.121 1.00 0.00 C ATOM 191 O LEU A 12 -0.307 -9.667 -15.781 1.00 0.00 O ATOM 192 CB LEU A 12 -0.479 -9.287 -12.680 1.00 0.00 C ATOM 193 CG LEU A 12 0.379 -8.027 -12.578 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.967 -7.922 -11.169 1.00 0.00 C ATOM 195 CD2 LEU A 12 1.515 -8.100 -13.600 1.00 0.00 C ATOM 0 H LEU A 12 -1.970 -10.998 -14.675 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.200 -8.288 -13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.976 -9.479 -11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.150 -10.152 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.237 -7.151 -12.781 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.579 -7.023 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.158 -7.870 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.583 -8.798 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.128 -7.201 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.131 -8.976 -13.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.097 -8.175 -14.604 1.00 0.00 H new ATOM 207 N GLY A 13 -0.842 -7.553 -15.521 1.00 0.00 N ATOM 208 CA GLY A 13 -0.194 -7.185 -16.812 1.00 0.00 C ATOM 209 C GLY A 13 0.016 -5.671 -16.871 1.00 0.00 C ATOM 210 O GLY A 13 1.093 -5.196 -17.171 1.00 0.00 O ATOM 0 H GLY A 13 -1.267 -6.779 -15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.763 -7.698 -16.909 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.816 -7.508 -17.647 1.00 0.00 H new ATOM 214 N LYS A 14 -1.004 -4.909 -16.587 1.00 0.00 N ATOM 215 CA LYS A 14 -0.860 -3.426 -16.630 1.00 0.00 C ATOM 216 C LYS A 14 -0.773 -2.861 -15.209 1.00 0.00 C ATOM 217 O LYS A 14 -1.198 -3.483 -14.256 1.00 0.00 O ATOM 218 CB LYS A 14 -2.123 -2.924 -17.330 1.00 0.00 C ATOM 219 CG LYS A 14 -1.959 -3.068 -18.844 1.00 0.00 C ATOM 220 CD LYS A 14 -3.243 -2.616 -19.543 1.00 0.00 C ATOM 221 CE LYS A 14 -2.945 -2.308 -21.012 1.00 0.00 C ATOM 222 NZ LYS A 14 -3.038 -3.622 -21.706 1.00 0.00 N ATOM 0 H LYS A 14 -1.930 -5.248 -16.327 1.00 0.00 H new ATOM 0 HA LYS A 14 0.045 -3.115 -17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.989 -3.492 -16.992 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.305 -1.881 -17.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.115 -2.469 -19.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.739 -4.105 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.002 -3.395 -19.471 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.646 -1.731 -19.050 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.662 -1.595 -21.419 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.955 -1.868 -21.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.846 -3.493 -22.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.340 -4.278 -21.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.994 -4.013 -21.582 1.00 0.00 H new ATOM 236 N LYS A 15 -0.225 -1.686 -15.061 1.00 0.00 N ATOM 237 CA LYS A 15 -0.110 -1.083 -13.703 1.00 0.00 C ATOM 238 C LYS A 15 -0.680 0.338 -13.706 1.00 0.00 C ATOM 239 O LYS A 15 -0.884 0.924 -14.750 1.00 0.00 O ATOM 240 CB LYS A 15 1.390 -1.059 -13.406 1.00 0.00 C ATOM 241 CG LYS A 15 1.785 -2.341 -12.671 1.00 0.00 C ATOM 242 CD LYS A 15 2.761 -2.004 -11.543 1.00 0.00 C ATOM 243 CE LYS A 15 3.495 -3.273 -11.105 1.00 0.00 C ATOM 244 NZ LYS A 15 4.860 -2.817 -10.724 1.00 0.00 N ATOM 0 H LYS A 15 0.148 -1.118 -15.821 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.665 -1.646 -12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.954 -0.971 -14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.637 -0.188 -12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.898 -2.828 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.245 -3.044 -13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.478 -1.255 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.223 -1.573 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.990 -3.751 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.534 -4.005 -11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.424 -3.633 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.319 -2.372 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.792 -2.127 -9.949 1.00 0.00 H new ATOM 258 N PRO A 16 -0.920 0.843 -12.527 1.00 0.00 N ATOM 259 CA PRO A 16 -1.476 2.210 -12.379 1.00 0.00 C ATOM 260 C PRO A 16 -0.407 3.261 -12.700 1.00 0.00 C ATOM 261 O PRO A 16 0.775 2.981 -12.698 1.00 0.00 O ATOM 262 CB PRO A 16 -1.874 2.276 -10.908 1.00 0.00 C ATOM 263 CG PRO A 16 -1.003 1.270 -10.225 1.00 0.00 C ATOM 264 CD PRO A 16 -0.700 0.192 -11.231 1.00 0.00 C ATOM 0 HA PRO A 16 -2.310 2.408 -13.052 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.717 3.275 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.930 2.040 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.083 1.735 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.507 0.853 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.324 -0.168 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.354 -0.670 -11.101 1.00 0.00 H new ATOM 272 N ILE A 17 -0.816 4.472 -12.969 1.00 0.00 N ATOM 273 CA ILE A 17 0.168 5.542 -13.281 1.00 0.00 C ATOM 274 C ILE A 17 -0.452 6.916 -13.019 1.00 0.00 C ATOM 275 O ILE A 17 -0.473 7.773 -13.878 1.00 0.00 O ATOM 276 CB ILE A 17 0.502 5.373 -14.764 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.768 5.055 -15.558 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.504 4.231 -14.936 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.434 5.000 -17.050 1.00 0.00 C ATOM 0 H ILE A 17 -1.793 4.765 -12.985 1.00 0.00 H new ATOM 0 HA ILE A 17 1.062 5.471 -12.661 1.00 0.00 H new ATOM 0 HB ILE A 17 0.934 6.302 -15.137 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.185 4.102 -15.232 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.527 5.815 -15.372 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.741 4.111 -15.993 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.415 4.460 -14.383 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.071 3.306 -14.554 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.337 4.774 -17.617 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.037 5.963 -17.370 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.310 4.224 -17.228 1.00 0.00 H new ATOM 291 N TYR A 18 -0.956 7.128 -11.833 1.00 0.00 N ATOM 292 CA TYR A 18 -1.577 8.443 -11.506 1.00 0.00 C ATOM 293 C TYR A 18 -0.491 9.493 -11.251 1.00 0.00 C ATOM 294 O TYR A 18 0.119 9.523 -10.201 1.00 0.00 O ATOM 295 CB TYR A 18 -2.380 8.187 -10.230 1.00 0.00 C ATOM 296 CG TYR A 18 -3.761 8.779 -10.371 1.00 0.00 C ATOM 297 CD1 TYR A 18 -3.923 10.167 -10.464 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.882 7.939 -10.409 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.206 10.716 -10.594 1.00 0.00 C ATOM 300 CE2 TYR A 18 -6.164 8.487 -10.538 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.326 9.876 -10.630 1.00 0.00 C ATOM 302 OH TYR A 18 -7.590 10.415 -10.757 1.00 0.00 O ATOM 0 H TYR A 18 -0.964 6.445 -11.075 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.200 8.821 -12.317 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.451 7.116 -10.042 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.870 8.628 -9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.059 10.814 -10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.757 6.869 -10.339 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.331 11.786 -10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.028 7.839 -10.567 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.254 9.694 -10.767 1.00 0.00 H new ATOM 312 N LYS A 19 -0.243 10.356 -12.199 1.00 0.00 N ATOM 313 CA LYS A 19 0.806 11.398 -11.998 1.00 0.00 C ATOM 314 C LYS A 19 0.650 12.523 -13.026 1.00 0.00 C ATOM 315 O LYS A 19 1.579 13.256 -13.302 1.00 0.00 O ATOM 316 CB LYS A 19 2.132 10.668 -12.207 1.00 0.00 C ATOM 317 CG LYS A 19 3.097 11.023 -11.075 1.00 0.00 C ATOM 318 CD LYS A 19 4.504 10.541 -11.435 1.00 0.00 C ATOM 319 CE LYS A 19 4.688 9.101 -10.953 1.00 0.00 C ATOM 320 NZ LYS A 19 6.023 8.689 -11.472 1.00 0.00 N ATOM 0 H LYS A 19 -0.719 10.385 -13.101 1.00 0.00 H new ATOM 0 HA LYS A 19 0.740 11.860 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.966 9.591 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.565 10.947 -13.168 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.101 12.101 -10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.769 10.560 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.655 10.597 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.251 11.188 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.652 9.041 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.899 8.453 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.221 7.710 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.026 8.750 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.755 9.319 -11.087 1.00 0.00 H new ATOM 334 N LYS A 20 -0.516 12.671 -13.592 1.00 0.00 N ATOM 335 CA LYS A 20 -0.721 13.752 -14.598 1.00 0.00 C ATOM 336 C LYS A 20 -0.269 15.097 -14.024 1.00 0.00 C ATOM 337 O LYS A 20 -0.248 15.296 -12.825 1.00 0.00 O ATOM 338 CB LYS A 20 -2.227 13.761 -14.868 1.00 0.00 C ATOM 339 CG LYS A 20 -2.498 14.400 -16.232 1.00 0.00 C ATOM 340 CD LYS A 20 -2.619 13.304 -17.294 1.00 0.00 C ATOM 341 CE LYS A 20 -3.508 13.797 -18.437 1.00 0.00 C ATOM 342 NZ LYS A 20 -3.596 12.645 -19.378 1.00 0.00 N ATOM 0 H LYS A 20 -1.334 12.092 -13.402 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.146 13.586 -15.509 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.617 12.743 -14.848 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.744 14.316 -14.085 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.415 14.988 -16.194 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.691 15.085 -16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.632 13.041 -17.674 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.042 12.401 -16.854 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.494 14.087 -18.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.077 14.672 -18.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.191 12.905 -20.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.643 12.396 -19.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.016 11.829 -18.889 1.00 0.00 H new ATOM 356 N ALA A 21 0.096 16.021 -14.869 1.00 0.00 N ATOM 357 CA ALA A 21 0.548 17.351 -14.368 1.00 0.00 C ATOM 358 C ALA A 21 0.084 18.460 -15.316 1.00 0.00 C ATOM 359 O ALA A 21 0.884 19.066 -16.002 1.00 0.00 O ATOM 360 CB ALA A 21 2.074 17.267 -14.347 1.00 0.00 C ATOM 0 H ALA A 21 0.101 15.914 -15.883 1.00 0.00 H new ATOM 0 HA ALA A 21 0.138 17.583 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.485 18.211 -13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.385 16.460 -13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.441 17.070 -15.354 1.00 0.00 H new ATOM 366 N PRO A 22 -1.201 18.686 -15.320 1.00 0.00 N ATOM 367 CA PRO A 22 -1.787 19.734 -16.191 1.00 0.00 C ATOM 368 C PRO A 22 -1.480 21.125 -15.632 1.00 0.00 C ATOM 369 O PRO A 22 -0.636 21.288 -14.774 1.00 0.00 O ATOM 370 CB PRO A 22 -3.285 19.446 -16.134 1.00 0.00 C ATOM 371 CG PRO A 22 -3.495 18.728 -14.839 1.00 0.00 C ATOM 372 CD PRO A 22 -2.217 17.995 -14.521 1.00 0.00 C ATOM 0 HA PRO A 22 -1.391 19.720 -17.207 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.865 20.368 -16.172 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.601 18.835 -16.979 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.742 19.432 -14.045 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.329 18.030 -14.917 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.986 18.040 -13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.285 16.940 -14.788 1.00 0.00 H new ATOM 380 N THR A 23 -2.162 22.128 -16.111 1.00 0.00 N ATOM 381 CA THR A 23 -1.913 23.508 -15.605 1.00 0.00 C ATOM 382 C THR A 23 -2.863 23.823 -14.451 1.00 0.00 C ATOM 383 O THR A 23 -2.543 23.626 -13.295 1.00 0.00 O ATOM 384 CB THR A 23 -2.190 24.425 -16.798 1.00 0.00 C ATOM 385 OG1 THR A 23 -3.491 24.159 -17.305 1.00 0.00 O ATOM 386 CG2 THR A 23 -1.152 24.170 -17.891 1.00 0.00 C ATOM 0 H THR A 23 -2.881 22.052 -16.831 1.00 0.00 H new ATOM 0 HA THR A 23 -0.899 23.634 -15.225 1.00 0.00 H new ATOM 0 HB THR A 23 -2.130 25.466 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.671 24.747 -18.068 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.350 24.824 -18.740 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.155 24.374 -17.501 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.210 23.130 -18.212 1.00 0.00 H new ATOM 394 N ASN A 24 -4.028 24.310 -14.759 1.00 0.00 N ATOM 395 CA ASN A 24 -5.009 24.640 -13.685 1.00 0.00 C ATOM 396 C ASN A 24 -6.408 24.157 -14.079 1.00 0.00 C ATOM 397 O ASN A 24 -7.313 24.942 -14.276 1.00 0.00 O ATOM 398 CB ASN A 24 -4.978 26.164 -13.575 1.00 0.00 C ATOM 399 CG ASN A 24 -5.689 26.599 -12.293 1.00 0.00 C ATOM 400 OD1 ASN A 24 -5.763 25.848 -11.341 1.00 0.00 O ATOM 401 ND2 ASN A 24 -6.218 27.790 -12.227 1.00 0.00 N ATOM 0 H ASN A 24 -4.348 24.496 -15.710 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.763 24.159 -12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.947 26.518 -13.569 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.464 26.611 -14.442 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.694 28.090 -11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.156 28.421 -13.026 1.00 0.00 H new ATOM 630 N TYR B 10 -3.392 -16.335 -17.858 1.00 0.00 N ATOM 631 CA TYR B 10 -3.783 -14.921 -18.122 1.00 0.00 C ATOM 632 C TYR B 10 -2.675 -13.971 -17.658 1.00 0.00 C ATOM 633 O TYR B 10 -1.742 -14.369 -16.991 1.00 0.00 O ATOM 634 CB TYR B 10 -5.056 -14.704 -17.305 1.00 0.00 C ATOM 635 CG TYR B 10 -6.206 -15.421 -17.968 1.00 0.00 C ATOM 636 CD1 TYR B 10 -6.248 -16.822 -17.973 1.00 0.00 C ATOM 637 CD2 TYR B 10 -7.232 -14.687 -18.579 1.00 0.00 C ATOM 638 CE1 TYR B 10 -7.315 -17.488 -18.591 1.00 0.00 C ATOM 639 CE2 TYR B 10 -8.299 -15.353 -19.196 1.00 0.00 C ATOM 640 CZ TYR B 10 -8.341 -16.755 -19.202 1.00 0.00 C ATOM 641 OH TYR B 10 -9.391 -17.411 -19.810 1.00 0.00 O ATOM 0 HA TYR B 10 -3.943 -14.726 -19.183 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.918 -15.076 -16.290 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.274 -13.639 -17.227 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.459 -17.388 -17.501 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.200 -13.607 -18.574 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -7.346 -18.568 -18.596 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -9.089 -14.787 -19.667 1.00 0.00 H new ATOM 0 HH TYR B 10 -10.015 -16.754 -20.183 1.00 0.00 H new ATOM 651 N ASP B 11 -2.774 -12.718 -18.008 1.00 0.00 N ATOM 652 CA ASP B 11 -1.727 -11.743 -17.588 1.00 0.00 C ATOM 653 C ASP B 11 -2.331 -10.342 -17.470 1.00 0.00 C ATOM 654 O ASP B 11 -2.015 -9.453 -18.236 1.00 0.00 O ATOM 655 CB ASP B 11 -0.678 -11.784 -18.700 1.00 0.00 C ATOM 656 CG ASP B 11 0.589 -11.066 -18.233 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.673 -9.865 -18.434 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.453 -11.728 -17.684 1.00 0.00 O ATOM 0 H ASP B 11 -3.533 -12.327 -18.566 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.298 -11.988 -16.616 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.448 -12.817 -18.960 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.068 -11.308 -19.600 1.00 0.00 H new ATOM 663 N LEU B 12 -3.200 -10.139 -16.519 1.00 0.00 N ATOM 664 CA LEU B 12 -3.825 -8.797 -16.354 1.00 0.00 C ATOM 665 C LEU B 12 -4.529 -8.706 -14.997 1.00 0.00 C ATOM 666 O LEU B 12 -5.122 -9.658 -14.530 1.00 0.00 O ATOM 667 CB LEU B 12 -4.839 -8.696 -17.493 1.00 0.00 C ATOM 668 CG LEU B 12 -5.628 -7.392 -17.364 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.169 -6.983 -18.735 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.797 -7.599 -16.396 1.00 0.00 C ATOM 0 H LEU B 12 -3.504 -10.845 -15.849 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.093 -7.990 -16.385 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.326 -8.729 -18.454 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.518 -9.548 -17.465 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.973 -6.608 -16.984 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.731 -6.054 -18.642 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.338 -6.837 -19.425 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.824 -7.766 -19.116 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -7.361 -6.671 -16.303 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.451 -8.384 -16.777 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -6.413 -7.890 -15.418 1.00 0.00 H new ATOM 682 N GLY B 13 -4.468 -7.569 -14.361 1.00 0.00 N ATOM 683 CA GLY B 13 -5.134 -7.423 -13.036 1.00 0.00 C ATOM 684 C GLY B 13 -5.264 -5.939 -12.687 1.00 0.00 C ATOM 685 O GLY B 13 -6.323 -5.471 -12.317 1.00 0.00 O ATOM 0 H GLY B 13 -3.987 -6.736 -14.700 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -6.119 -7.889 -13.060 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -4.556 -7.938 -12.269 1.00 0.00 H new ATOM 689 N LYS B 14 -4.199 -5.196 -12.799 1.00 0.00 N ATOM 690 CA LYS B 14 -4.267 -3.744 -12.471 1.00 0.00 C ATOM 691 C LYS B 14 -4.285 -2.908 -13.753 1.00 0.00 C ATOM 692 O LYS B 14 -3.866 -3.356 -14.803 1.00 0.00 O ATOM 693 CB LYS B 14 -3.000 -3.461 -11.663 1.00 0.00 C ATOM 694 CG LYS B 14 -3.215 -3.886 -10.210 1.00 0.00 C ATOM 695 CD LYS B 14 -1.928 -3.656 -9.414 1.00 0.00 C ATOM 696 CE LYS B 14 -2.250 -3.619 -7.919 1.00 0.00 C ATOM 697 NZ LYS B 14 -2.247 -5.046 -7.490 1.00 0.00 N ATOM 0 H LYS B 14 -3.285 -5.531 -13.103 1.00 0.00 H new ATOM 0 HA LYS B 14 -5.170 -3.489 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.155 -4.002 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.756 -2.400 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -4.033 -3.316 -9.771 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.499 -4.937 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -1.212 -4.451 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.462 -2.719 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.508 -3.040 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.218 -3.153 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -2.460 -5.103 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -2.968 -5.571 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -1.311 -5.461 -7.671 1.00 0.00 H new ATOM 711 N LYS B 15 -4.767 -1.698 -13.677 1.00 0.00 N ATOM 712 CA LYS B 15 -4.812 -0.836 -14.892 1.00 0.00 C ATOM 713 C LYS B 15 -4.170 0.522 -14.602 1.00 0.00 C ATOM 714 O LYS B 15 -3.968 0.883 -13.460 1.00 0.00 O ATOM 715 CB LYS B 15 -6.299 -0.671 -15.206 1.00 0.00 C ATOM 716 CG LYS B 15 -6.738 -1.761 -16.185 1.00 0.00 C ATOM 717 CD LYS B 15 -7.662 -1.157 -17.243 1.00 0.00 C ATOM 718 CE LYS B 15 -8.447 -2.273 -17.933 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.775 -1.676 -18.241 1.00 0.00 N ATOM 0 H LYS B 15 -5.132 -1.269 -12.826 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.265 -1.272 -15.728 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.884 -0.734 -14.289 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.484 0.314 -15.635 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.866 -2.209 -16.662 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.253 -2.559 -15.650 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.348 -0.448 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.078 -0.602 -17.977 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.944 -2.606 -18.841 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.546 -3.144 -17.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.372 -2.383 -18.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.233 -1.374 -17.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -9.650 -0.853 -18.865 1.00 0.00 H new ATOM 733 N PRO B 16 -3.869 1.230 -15.656 1.00 0.00 N ATOM 734 CA PRO B 16 -3.238 2.567 -15.525 1.00 0.00 C ATOM 735 C PRO B 16 -4.256 3.597 -15.025 1.00 0.00 C ATOM 736 O PRO B 16 -5.452 3.394 -15.108 1.00 0.00 O ATOM 737 CB PRO B 16 -2.794 2.892 -16.948 1.00 0.00 C ATOM 738 CG PRO B 16 -3.696 2.089 -17.829 1.00 0.00 C ATOM 739 CD PRO B 16 -4.086 0.855 -17.057 1.00 0.00 C ATOM 0 HA PRO B 16 -2.416 2.583 -14.810 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.886 3.958 -17.156 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.749 2.625 -17.106 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.579 2.666 -18.105 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.189 1.819 -18.756 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.125 0.581 -17.241 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.475 -0.002 -17.340 1.00 0.00 H new ATOM 747 N ILE B 17 -3.790 4.703 -14.513 1.00 0.00 N ATOM 748 CA ILE B 17 -4.720 5.748 -14.014 1.00 0.00 C ATOM 749 C ILE B 17 -4.019 7.108 -13.992 1.00 0.00 C ATOM 750 O ILE B 17 -3.964 7.775 -12.978 1.00 0.00 O ATOM 751 CB ILE B 17 -5.105 5.312 -12.599 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.875 4.773 -11.865 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.172 4.218 -12.674 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.252 4.438 -10.420 1.00 0.00 C ATOM 0 H ILE B 17 -2.799 4.926 -14.420 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.599 5.853 -14.651 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.498 6.171 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.497 3.884 -12.370 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.075 5.513 -11.882 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.446 3.907 -11.666 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -7.053 4.604 -13.187 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.778 3.362 -13.223 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.377 4.054 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.609 5.338 -9.919 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.039 3.683 -10.415 1.00 0.00 H new ATOM 766 N TYR B 18 -3.486 7.523 -15.110 1.00 0.00 N ATOM 767 CA TYR B 18 -2.787 8.839 -15.164 1.00 0.00 C ATOM 768 C TYR B 18 -3.809 9.979 -15.229 1.00 0.00 C ATOM 769 O TYR B 18 -4.387 10.246 -16.264 1.00 0.00 O ATOM 770 CB TYR B 18 -1.962 8.789 -16.450 1.00 0.00 C ATOM 771 CG TYR B 18 -0.555 9.262 -16.171 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.322 10.594 -15.806 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.518 8.367 -16.278 1.00 0.00 C ATOM 774 CE1 TYR B 18 0.985 11.032 -15.548 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.824 8.804 -16.021 1.00 0.00 C ATOM 776 CZ TYR B 18 2.057 10.136 -15.656 1.00 0.00 C ATOM 777 OH TYR B 18 3.344 10.567 -15.403 1.00 0.00 O ATOM 0 H TYR B 18 -3.505 7.006 -15.989 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.168 9.017 -14.284 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.943 7.772 -16.842 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.422 9.416 -17.213 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.149 11.284 -15.723 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.338 7.340 -16.559 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.165 12.059 -15.266 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.651 8.114 -16.104 1.00 0.00 H new ATOM 0 HH TYR B 18 3.968 9.821 -15.522 1.00 0.00 H new ATOM 787 N LYS B 19 -4.040 10.650 -14.134 1.00 0.00 N ATOM 788 CA LYS B 19 -5.026 11.769 -14.143 1.00 0.00 C ATOM 789 C LYS B 19 -4.836 12.663 -12.913 1.00 0.00 C ATOM 790 O LYS B 19 -5.733 13.381 -12.514 1.00 0.00 O ATOM 791 CB LYS B 19 -6.394 11.089 -14.103 1.00 0.00 C ATOM 792 CG LYS B 19 -7.306 11.709 -15.162 1.00 0.00 C ATOM 793 CD LYS B 19 -8.746 11.245 -14.929 1.00 0.00 C ATOM 794 CE LYS B 19 -8.991 9.939 -15.686 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.358 9.511 -15.281 1.00 0.00 N ATOM 0 H LYS B 19 -3.590 10.473 -13.236 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.911 12.410 -15.017 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.285 10.020 -14.283 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.839 11.202 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.251 12.797 -15.114 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.975 11.417 -16.159 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.924 11.099 -13.864 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.445 12.010 -15.267 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.927 10.089 -16.764 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.248 9.186 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.599 8.620 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.386 9.369 -14.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -11.045 10.245 -15.549 1.00 0.00 H new ATOM 809 N LYS B 20 -3.681 12.628 -12.308 1.00 0.00 N ATOM 810 CA LYS B 20 -3.444 13.480 -11.107 1.00 0.00 C ATOM 811 C LYS B 20 -3.811 14.935 -11.415 1.00 0.00 C ATOM 812 O LYS B 20 -3.787 15.363 -12.551 1.00 0.00 O ATOM 813 CB LYS B 20 -1.949 13.354 -10.815 1.00 0.00 C ATOM 814 CG LYS B 20 -1.684 13.699 -9.348 1.00 0.00 C ATOM 815 CD LYS B 20 -1.653 12.413 -8.518 1.00 0.00 C ATOM 816 CE LYS B 20 -0.772 12.622 -7.284 1.00 0.00 C ATOM 817 NZ LYS B 20 -0.773 11.306 -6.587 1.00 0.00 N ATOM 0 H LYS B 20 -2.892 12.048 -12.592 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.050 13.171 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.610 12.340 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.383 14.022 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.736 14.228 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.460 14.367 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -2.663 12.139 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.267 11.589 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.238 12.920 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.169 13.409 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.189 11.367 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.747 11.052 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.383 10.578 -7.219 1.00 0.00 H new ATOM 831 N ALA B 21 -4.151 15.696 -10.412 1.00 0.00 N ATOM 832 CA ALA B 21 -4.521 17.121 -10.652 1.00 0.00 C ATOM 833 C ALA B 21 -4.027 17.998 -9.497 1.00 0.00 C ATOM 834 O ALA B 21 -4.813 18.501 -8.720 1.00 0.00 O ATOM 835 CB ALA B 21 -6.048 17.129 -10.715 1.00 0.00 C ATOM 0 H ALA B 21 -4.189 15.395 -9.438 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.073 17.515 -11.564 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.400 18.146 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -6.382 16.485 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.453 16.762 -9.772 1.00 0.00 H new ATOM 841 N PRO B 22 -2.734 18.146 -9.427 1.00 0.00 N ATOM 842 CA PRO B 22 -2.117 18.969 -8.358 1.00 0.00 C ATOM 843 C PRO B 22 -2.335 20.457 -8.639 1.00 0.00 C ATOM 844 O PRO B 22 -3.143 20.832 -9.466 1.00 0.00 O ATOM 845 CB PRO B 22 -0.636 18.613 -8.444 1.00 0.00 C ATOM 846 CG PRO B 22 -0.426 18.151 -9.851 1.00 0.00 C ATOM 847 CD PRO B 22 -1.731 17.567 -10.328 1.00 0.00 C ATOM 0 HA PRO B 22 -2.540 18.780 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -0.010 19.475 -8.215 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.377 17.832 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -0.121 18.982 -10.487 1.00 0.00 H new ATOM 0 HG3 PRO B 22 0.368 17.406 -9.897 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -1.929 17.830 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -1.725 16.479 -10.271 1.00 0.00 H new ATOM 855 N THR B 23 -1.617 21.309 -7.961 1.00 0.00 N ATOM 856 CA THR B 23 -1.779 22.772 -8.192 1.00 0.00 C ATOM 857 C THR B 23 -0.781 23.249 -9.246 1.00 0.00 C ATOM 858 O THR B 23 -1.077 23.298 -10.423 1.00 0.00 O ATOM 859 CB THR B 23 -1.487 23.424 -6.839 1.00 0.00 C ATOM 860 OG1 THR B 23 -0.217 22.993 -6.372 1.00 0.00 O ATOM 861 CG2 THR B 23 -2.567 23.022 -5.833 1.00 0.00 C ATOM 0 H THR B 23 -0.925 21.055 -7.256 1.00 0.00 H new ATOM 0 HA THR B 23 -2.774 23.026 -8.557 1.00 0.00 H new ATOM 0 HB THR B 23 -1.484 24.508 -6.951 1.00 0.00 H new ATOM 0 HG1 THR B 23 -0.028 23.411 -5.506 1.00 0.00 H new ATOM 0 HG21 THR B 23 -2.358 23.487 -4.870 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.541 23.354 -6.193 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.573 21.938 -5.719 1.00 0.00 H new ATOM 869 N ASN B 24 0.400 23.601 -8.828 1.00 0.00 N ATOM 870 CA ASN B 24 1.428 24.077 -9.799 1.00 0.00 C ATOM 871 C ASN B 24 2.788 23.448 -9.483 1.00 0.00 C ATOM 872 O ASN B 24 3.727 24.129 -9.121 1.00 0.00 O ATOM 873 CB ASN B 24 1.479 25.593 -9.609 1.00 0.00 C ATOM 874 CG ASN B 24 2.249 26.228 -10.769 1.00 0.00 C ATOM 875 OD1 ASN B 24 2.311 25.672 -11.848 1.00 0.00 O ATOM 876 ND2 ASN B 24 2.841 27.376 -10.592 1.00 0.00 N ATOM 0 H ASN B 24 0.701 23.581 -7.854 1.00 0.00 H new ATOM 0 HA ASN B 24 1.185 23.803 -10.826 1.00 0.00 H new ATOM 0 HB2 ASN B 24 0.468 25.999 -9.564 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.962 25.835 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN B 24 3.356 27.808 -11.359 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.789 27.842 -9.686 1.00 0.00 H new