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 48:sc= 0.359 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,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+ 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 54:sc= 0.38 USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -1.261 -14.818 -13.919 1.00 0.00 N ATOM 156 CA TYR A 10 -2.729 -15.014 -13.743 1.00 0.00 C ATOM 157 C TYR A 10 -3.449 -13.662 -13.756 1.00 0.00 C ATOM 158 O TYR A 10 -3.873 -13.183 -14.788 1.00 0.00 O ATOM 159 CB TYR A 10 -2.878 -15.685 -12.377 1.00 0.00 C ATOM 160 CG TYR A 10 -2.920 -17.184 -12.553 1.00 0.00 C ATOM 161 CD1 TYR A 10 -1.738 -17.893 -12.806 1.00 0.00 C ATOM 162 CD2 TYR A 10 -4.140 -17.866 -12.462 1.00 0.00 C ATOM 163 CE1 TYR A 10 -1.776 -19.284 -12.969 1.00 0.00 C ATOM 164 CE2 TYR A 10 -4.179 -19.258 -12.624 1.00 0.00 C ATOM 165 CZ TYR A 10 -2.997 -19.966 -12.877 1.00 0.00 C ATOM 166 OH TYR A 10 -3.035 -21.336 -13.036 1.00 0.00 O ATOM 0 HA TYR A 10 -3.164 -15.614 -14.543 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.045 -15.407 -11.731 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.789 -15.340 -11.888 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.797 -17.367 -12.875 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.051 -17.319 -12.267 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.865 -19.830 -13.165 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.120 -19.784 -12.554 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.958 -21.651 -12.941 1.00 0.00 H new ATOM 176 N ASP A 11 -3.590 -13.044 -12.614 1.00 0.00 N ATOM 177 CA ASP A 11 -4.283 -11.725 -12.559 1.00 0.00 C ATOM 178 C ASP A 11 -3.261 -10.592 -12.438 1.00 0.00 C ATOM 179 O ASP A 11 -3.124 -9.974 -11.402 1.00 0.00 O ATOM 180 CB ASP A 11 -5.159 -11.791 -11.309 1.00 0.00 C ATOM 181 CG ASP A 11 -4.275 -11.996 -10.077 1.00 0.00 C ATOM 182 OD1 ASP A 11 -3.833 -13.114 -9.868 1.00 0.00 O ATOM 183 OD2 ASP A 11 -4.053 -11.032 -9.363 1.00 0.00 O ATOM 0 H ASP A 11 -3.255 -13.396 -11.717 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.867 -11.529 -13.458 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.736 -10.872 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.875 -12.608 -11.396 1.00 0.00 H new ATOM 188 N LEU A 12 -2.540 -10.316 -13.491 1.00 0.00 N ATOM 189 CA LEU A 12 -1.529 -9.225 -13.437 1.00 0.00 C ATOM 190 C LEU A 12 -1.007 -8.917 -14.842 1.00 0.00 C ATOM 191 O LEU A 12 -0.470 -9.772 -15.518 1.00 0.00 O ATOM 192 CB LEU A 12 -0.407 -9.774 -12.556 1.00 0.00 C ATOM 193 CG LEU A 12 0.383 -8.612 -11.953 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.906 -7.712 -13.073 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.532 -7.800 -11.033 1.00 0.00 C ATOM 0 H LEU A 12 -2.609 -10.800 -14.386 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.942 -8.296 -13.043 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.824 -10.395 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.254 -10.410 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 12 1.224 -9.003 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.469 -6.884 -12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.556 -8.289 -13.730 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.066 -7.320 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.029 -6.971 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.372 -7.410 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.905 -8.440 -10.234 1.00 0.00 H new ATOM 207 N GLY A 13 -1.160 -7.699 -15.287 1.00 0.00 N ATOM 208 CA GLY A 13 -0.672 -7.336 -16.648 1.00 0.00 C ATOM 209 C GLY A 13 -0.385 -5.835 -16.705 1.00 0.00 C ATOM 210 O GLY A 13 0.754 -5.412 -16.750 1.00 0.00 O ATOM 0 H GLY A 13 -1.601 -6.940 -14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.231 -7.899 -16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.418 -7.603 -17.396 1.00 0.00 H new ATOM 214 N LYS A 14 -1.408 -5.025 -16.704 1.00 0.00 N ATOM 215 CA LYS A 14 -1.192 -3.550 -16.759 1.00 0.00 C ATOM 216 C LYS A 14 -0.954 -2.996 -15.352 1.00 0.00 C ATOM 217 O LYS A 14 -1.349 -3.587 -14.366 1.00 0.00 O ATOM 218 CB LYS A 14 -2.485 -2.982 -17.348 1.00 0.00 C ATOM 219 CG LYS A 14 -2.174 -2.247 -18.653 1.00 0.00 C ATOM 220 CD LYS A 14 -3.442 -2.157 -19.503 1.00 0.00 C ATOM 221 CE LYS A 14 -3.111 -2.509 -20.955 1.00 0.00 C ATOM 222 NZ LYS A 14 -4.433 -2.682 -21.620 1.00 0.00 N ATOM 0 H LYS A 14 -2.384 -5.320 -16.668 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.320 -3.283 -17.356 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.197 -3.787 -17.533 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.952 -2.300 -16.637 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.796 -1.248 -18.438 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.392 -2.773 -19.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.200 -2.838 -19.117 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.859 -1.151 -19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.530 -1.718 -21.430 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.517 -3.421 -21.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.289 -2.925 -22.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.960 -3.446 -21.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.974 -1.796 -21.553 1.00 0.00 H new ATOM 236 N LYS A 15 -0.310 -1.865 -15.250 1.00 0.00 N ATOM 237 CA LYS A 15 -0.047 -1.275 -13.906 1.00 0.00 C ATOM 238 C LYS A 15 -0.641 0.135 -13.821 1.00 0.00 C ATOM 239 O LYS A 15 -0.782 0.810 -14.823 1.00 0.00 O ATOM 240 CB LYS A 15 1.477 -1.221 -13.788 1.00 0.00 C ATOM 241 CG LYS A 15 2.020 -2.632 -13.558 1.00 0.00 C ATOM 242 CD LYS A 15 2.977 -2.622 -12.365 1.00 0.00 C ATOM 243 CE LYS A 15 4.016 -3.734 -12.534 1.00 0.00 C ATOM 244 NZ LYS A 15 5.316 -3.104 -12.170 1.00 0.00 N ATOM 0 H LYS A 15 0.045 -1.324 -16.039 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.498 -1.859 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.908 -0.797 -14.695 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.766 -0.570 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.198 -3.324 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.538 -2.984 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.473 -1.654 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.421 -2.767 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.794 -4.583 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.031 -4.108 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.079 -3.805 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.504 -2.303 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.274 -2.764 -11.188 1.00 0.00 H new ATOM 258 N PRO A 16 -0.968 0.529 -12.621 1.00 0.00 N ATOM 259 CA PRO A 16 -1.554 1.873 -12.390 1.00 0.00 C ATOM 260 C PRO A 16 -0.493 2.961 -12.575 1.00 0.00 C ATOM 261 O PRO A 16 0.692 2.715 -12.458 1.00 0.00 O ATOM 262 CB PRO A 16 -2.024 1.814 -10.939 1.00 0.00 C ATOM 263 CG PRO A 16 -1.172 0.765 -10.300 1.00 0.00 C ATOM 264 CD PRO A 16 -0.822 -0.231 -11.376 1.00 0.00 C ATOM 0 HA PRO A 16 -2.358 2.114 -13.085 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.901 2.778 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.081 1.556 -10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.271 1.206 -9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.706 0.279 -9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.193 -0.609 -11.255 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.488 -1.094 -11.354 1.00 0.00 H new ATOM 272 N ILE A 17 -0.913 4.161 -12.860 1.00 0.00 N ATOM 273 CA ILE A 17 0.053 5.270 -13.049 1.00 0.00 C ATOM 274 C ILE A 17 -0.648 6.608 -12.843 1.00 0.00 C ATOM 275 O ILE A 17 -1.018 7.265 -13.787 1.00 0.00 O ATOM 276 CB ILE A 17 0.548 5.138 -14.490 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.633 4.860 -15.420 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.551 3.988 -14.585 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.173 4.965 -16.874 1.00 0.00 C ATOM 0 H ILE A 17 -1.893 4.420 -12.970 1.00 0.00 H new ATOM 0 HA ILE A 17 0.878 5.225 -12.338 1.00 0.00 H new ATOM 0 HB ILE A 17 1.031 6.068 -14.788 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.036 3.866 -15.226 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.436 5.572 -15.229 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.902 3.896 -15.613 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.398 4.189 -13.929 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.069 3.059 -14.282 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.015 4.767 -17.537 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.210 5.968 -17.063 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.615 4.235 -17.060 1.00 0.00 H new ATOM 291 N TYR A 18 -0.841 7.010 -11.616 1.00 0.00 N ATOM 292 CA TYR A 18 -1.532 8.307 -11.354 1.00 0.00 C ATOM 293 C TYR A 18 -0.516 9.451 -11.258 1.00 0.00 C ATOM 294 O TYR A 18 0.340 9.463 -10.397 1.00 0.00 O ATOM 295 CB TYR A 18 -2.239 8.110 -10.013 1.00 0.00 C ATOM 296 CG TYR A 18 -3.457 9.000 -9.943 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.564 8.737 -10.759 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.481 10.088 -9.058 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.696 9.561 -10.693 1.00 0.00 C ATOM 300 CE2 TYR A 18 -4.613 10.911 -8.991 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.721 10.647 -9.809 1.00 0.00 C ATOM 302 OH TYR A 18 -6.836 11.459 -9.742 1.00 0.00 O ATOM 0 H TYR A 18 -0.551 6.497 -10.783 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.225 8.570 -12.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.532 7.067 -9.895 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.558 8.344 -9.194 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.546 7.899 -11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.627 10.291 -8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.549 9.358 -11.324 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.632 11.749 -8.309 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.688 12.164 -9.078 1.00 0.00 H new ATOM 312 N LYS A 19 -0.614 10.416 -12.131 1.00 0.00 N ATOM 313 CA LYS A 19 0.335 11.565 -12.091 1.00 0.00 C ATOM 314 C LYS A 19 0.164 12.427 -13.346 1.00 0.00 C ATOM 315 O LYS A 19 0.022 11.921 -14.440 1.00 0.00 O ATOM 316 CB LYS A 19 1.728 10.934 -12.056 1.00 0.00 C ATOM 317 CG LYS A 19 2.390 11.230 -10.710 1.00 0.00 C ATOM 318 CD LYS A 19 3.415 10.140 -10.392 1.00 0.00 C ATOM 319 CE LYS A 19 3.895 10.297 -8.946 1.00 0.00 C ATOM 320 NZ LYS A 19 5.185 11.035 -9.048 1.00 0.00 N ATOM 0 H LYS A 19 -1.313 10.458 -12.873 1.00 0.00 H new ATOM 0 HA LYS A 19 0.165 12.213 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.655 9.857 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.338 11.330 -12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.878 12.204 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.636 11.275 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.970 9.155 -10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.260 10.210 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.171 10.849 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.031 9.327 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.577 11.182 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.857 10.483 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.023 11.957 -9.501 1.00 0.00 H new ATOM 334 N LYS A 20 0.171 13.723 -13.197 1.00 0.00 N ATOM 335 CA LYS A 20 0.006 14.609 -14.387 1.00 0.00 C ATOM 336 C LYS A 20 0.697 15.954 -14.148 1.00 0.00 C ATOM 337 O LYS A 20 1.326 16.167 -13.131 1.00 0.00 O ATOM 338 CB LYS A 20 -1.505 14.802 -14.533 1.00 0.00 C ATOM 339 CG LYS A 20 -1.965 14.240 -15.880 1.00 0.00 C ATOM 340 CD LYS A 20 -3.100 15.105 -16.434 1.00 0.00 C ATOM 341 CE LYS A 20 -4.054 14.234 -17.254 1.00 0.00 C ATOM 342 NZ LYS A 20 -4.592 15.138 -18.307 1.00 0.00 N ATOM 0 H LYS A 20 0.283 14.207 -12.306 1.00 0.00 H new ATOM 0 HA LYS A 20 0.451 14.179 -15.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.027 14.298 -13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.755 15.861 -14.464 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.131 14.222 -16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.303 13.211 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.639 15.583 -15.616 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.693 15.902 -17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.533 13.383 -17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.854 13.832 -16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.255 14.612 -18.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.089 15.935 -17.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.808 15.500 -18.887 1.00 0.00 H new ATOM 356 N ALA A 21 0.585 16.862 -15.079 1.00 0.00 N ATOM 357 CA ALA A 21 1.235 18.193 -14.905 1.00 0.00 C ATOM 358 C ALA A 21 0.448 19.265 -15.664 1.00 0.00 C ATOM 359 O ALA A 21 0.947 19.858 -16.599 1.00 0.00 O ATOM 360 CB ALA A 21 2.634 18.032 -15.501 1.00 0.00 C ATOM 0 H ALA A 21 0.072 16.740 -15.952 1.00 0.00 H new ATOM 0 HA ALA A 21 1.271 18.503 -13.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.178 18.972 -15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.170 17.250 -14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.552 17.759 -16.553 1.00 0.00 H new ATOM 366 N PRO A 22 -0.766 19.471 -15.232 1.00 0.00 N ATOM 367 CA PRO A 22 -1.643 20.479 -15.875 1.00 0.00 C ATOM 368 C PRO A 22 -1.207 21.896 -15.494 1.00 0.00 C ATOM 369 O PRO A 22 -0.354 22.088 -14.650 1.00 0.00 O ATOM 370 CB PRO A 22 -3.023 20.166 -15.304 1.00 0.00 C ATOM 371 CG PRO A 22 -2.760 19.489 -13.996 1.00 0.00 C ATOM 372 CD PRO A 22 -1.428 18.791 -14.113 1.00 0.00 C ATOM 0 HA PRO A 22 -1.614 20.437 -16.964 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.608 21.075 -15.166 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.590 19.521 -15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.743 20.216 -13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.550 18.774 -13.768 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.849 18.880 -13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.552 17.726 -14.310 1.00 0.00 H new ATOM 380 N THR A 23 -1.788 22.890 -16.111 1.00 0.00 N ATOM 381 CA THR A 23 -1.410 24.295 -15.783 1.00 0.00 C ATOM 382 C THR A 23 -2.659 25.103 -15.419 1.00 0.00 C ATOM 383 O THR A 23 -3.264 25.743 -16.257 1.00 0.00 O ATOM 384 CB THR A 23 -0.771 24.842 -17.062 1.00 0.00 C ATOM 385 OG1 THR A 23 -1.618 24.566 -18.169 1.00 0.00 O ATOM 386 CG2 THR A 23 0.589 24.176 -17.278 1.00 0.00 C ATOM 0 H THR A 23 -2.507 22.790 -16.827 1.00 0.00 H new ATOM 0 HA THR A 23 -0.732 24.354 -14.932 1.00 0.00 H new ATOM 0 HB THR A 23 -0.635 25.920 -16.969 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.537 24.827 -17.951 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.044 24.565 -18.189 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.238 24.389 -16.428 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.456 23.098 -17.371 1.00 0.00 H new ATOM 394 N ASN A 24 -3.052 25.075 -14.175 1.00 0.00 N ATOM 395 CA ASN A 24 -4.262 25.838 -13.758 1.00 0.00 C ATOM 396 C ASN A 24 -5.420 25.551 -14.717 1.00 0.00 C ATOM 397 O ASN A 24 -5.895 26.426 -15.413 1.00 0.00 O ATOM 398 CB ASN A 24 -3.848 27.306 -13.835 1.00 0.00 C ATOM 399 CG ASN A 24 -4.344 28.041 -12.589 1.00 0.00 C ATOM 400 OD1 ASN A 24 -5.307 28.779 -12.648 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.722 27.870 -11.455 1.00 0.00 N ATOM 0 H ASN A 24 -2.587 24.557 -13.429 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.603 25.565 -12.759 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.763 27.386 -13.910 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.264 27.766 -14.731 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.044 28.356 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.913 27.250 -11.405 1.00 0.00 H new ATOM 630 N TYR B 10 -4.404 -14.426 -17.360 1.00 0.00 N ATOM 631 CA TYR B 10 -2.944 -14.669 -17.541 1.00 0.00 C ATOM 632 C TYR B 10 -2.153 -13.391 -17.249 1.00 0.00 C ATOM 633 O TYR B 10 -1.735 -13.149 -16.134 1.00 0.00 O ATOM 634 CB TYR B 10 -2.789 -15.070 -19.008 1.00 0.00 C ATOM 635 CG TYR B 10 -2.832 -16.574 -19.128 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.057 -17.248 -19.042 1.00 0.00 C ATOM 637 CD2 TYR B 10 -1.647 -17.296 -19.327 1.00 0.00 C ATOM 638 CE1 TYR B 10 -4.098 -18.644 -19.155 1.00 0.00 C ATOM 639 CE2 TYR B 10 -1.688 -18.692 -19.439 1.00 0.00 C ATOM 640 CZ TYR B 10 -2.913 -19.366 -19.353 1.00 0.00 C ATOM 641 OH TYR B 10 -2.954 -20.741 -19.464 1.00 0.00 O ATOM 0 HA TYR B 10 -2.567 -15.437 -16.865 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -3.586 -14.624 -19.604 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.846 -14.690 -19.402 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -4.970 -16.692 -18.889 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.703 -16.776 -19.394 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.043 -19.164 -19.090 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -0.775 -19.248 -19.592 1.00 0.00 H new ATOM 0 HH TYR B 10 -2.047 -21.085 -19.599 1.00 0.00 H new ATOM 651 N ASP B 11 -1.944 -12.572 -18.243 1.00 0.00 N ATOM 652 CA ASP B 11 -1.179 -11.311 -18.024 1.00 0.00 C ATOM 653 C ASP B 11 -2.136 -10.118 -17.941 1.00 0.00 C ATOM 654 O ASP B 11 -2.206 -9.303 -18.838 1.00 0.00 O ATOM 655 CB ASP B 11 -0.270 -11.184 -19.247 1.00 0.00 C ATOM 656 CG ASP B 11 -1.126 -11.092 -20.512 1.00 0.00 C ATOM 657 OD1 ASP B 11 -1.619 -12.121 -20.943 1.00 0.00 O ATOM 658 OD2 ASP B 11 -1.273 -9.996 -21.026 1.00 0.00 O ATOM 0 H ASP B 11 -2.270 -12.721 -19.198 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.612 -11.328 -17.093 1.00 0.00 H new ATOM 0 HB2 ASP B 11 0.359 -10.298 -19.155 1.00 0.00 H new ATOM 0 HB3 ASP B 11 0.397 -12.044 -19.308 1.00 0.00 H new ATOM 663 N LEU B 12 -2.873 -10.012 -16.870 1.00 0.00 N ATOM 664 CA LEU B 12 -3.823 -8.874 -16.730 1.00 0.00 C ATOM 665 C LEU B 12 -4.371 -8.814 -15.301 1.00 0.00 C ATOM 666 O LEU B 12 -4.973 -9.752 -14.817 1.00 0.00 O ATOM 667 CB LEU B 12 -4.944 -9.173 -17.722 1.00 0.00 C ATOM 668 CG LEU B 12 -5.651 -7.873 -18.103 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.161 -7.178 -16.838 1.00 0.00 C ATOM 670 CD2 LEU B 12 -4.667 -6.952 -18.826 1.00 0.00 C ATOM 0 H LEU B 12 -2.858 -10.664 -16.086 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.349 -7.913 -16.927 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.537 -9.652 -18.613 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.656 -9.871 -17.282 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.492 -8.097 -18.759 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.665 -6.251 -17.110 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.861 -7.833 -16.320 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.320 -6.954 -16.182 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -5.170 -6.024 -19.098 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.827 -6.730 -18.169 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.302 -7.445 -19.727 1.00 0.00 H new ATOM 682 N GLY B 13 -4.168 -7.716 -14.624 1.00 0.00 N ATOM 683 CA GLY B 13 -4.678 -7.597 -13.228 1.00 0.00 C ATOM 684 C GLY B 13 -4.886 -6.120 -12.884 1.00 0.00 C ATOM 685 O GLY B 13 -6.002 -5.650 -12.778 1.00 0.00 O ATOM 0 H GLY B 13 -3.672 -6.898 -14.977 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.617 -8.141 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -3.971 -8.047 -12.532 1.00 0.00 H new ATOM 689 N LYS B 14 -3.822 -5.386 -12.706 1.00 0.00 N ATOM 690 CA LYS B 14 -3.961 -3.940 -12.367 1.00 0.00 C ATOM 691 C LYS B 14 -4.125 -3.109 -13.642 1.00 0.00 C ATOM 692 O LYS B 14 -3.736 -3.519 -14.717 1.00 0.00 O ATOM 693 CB LYS B 14 -2.658 -3.577 -11.654 1.00 0.00 C ATOM 694 CG LYS B 14 -2.969 -3.093 -10.235 1.00 0.00 C ATOM 695 CD LYS B 14 -1.724 -3.247 -9.360 1.00 0.00 C ATOM 696 CE LYS B 14 -2.118 -3.853 -8.011 1.00 0.00 C ATOM 697 NZ LYS B 14 -0.829 -4.228 -7.367 1.00 0.00 N ATOM 0 H LYS B 14 -2.863 -5.724 -12.780 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.836 -3.743 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.998 -4.443 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.133 -2.799 -12.208 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.285 -2.050 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.795 -3.668 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.994 -3.885 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.250 -2.277 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.670 -3.137 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -2.762 -4.723 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.016 -4.651 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.329 -4.916 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.240 -3.379 -7.249 1.00 0.00 H new ATOM 711 N LYS B 15 -4.700 -1.941 -13.532 1.00 0.00 N ATOM 712 CA LYS B 15 -4.887 -1.084 -14.738 1.00 0.00 C ATOM 713 C LYS B 15 -4.218 0.278 -14.532 1.00 0.00 C ATOM 714 O LYS B 15 -4.069 0.736 -13.417 1.00 0.00 O ATOM 715 CB LYS B 15 -6.402 -0.922 -14.877 1.00 0.00 C ATOM 716 CG LYS B 15 -7.013 -2.229 -15.388 1.00 0.00 C ATOM 717 CD LYS B 15 -7.934 -1.932 -16.574 1.00 0.00 C ATOM 718 CE LYS B 15 -9.033 -2.995 -16.647 1.00 0.00 C ATOM 719 NZ LYS B 15 -10.285 -2.232 -16.907 1.00 0.00 N ATOM 0 H LYS B 15 -5.048 -1.544 -12.659 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.440 -1.524 -15.629 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.839 -0.656 -13.915 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.629 -0.109 -15.566 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.224 -2.918 -15.690 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.574 -2.717 -14.591 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.378 -0.942 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.360 -1.923 -17.500 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.836 -3.714 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.100 -3.559 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -11.087 -2.892 -16.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.450 -1.560 -16.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.194 -1.710 -17.802 1.00 0.00 H new ATOM 733 N PRO B 16 -3.837 0.880 -15.627 1.00 0.00 N ATOM 734 CA PRO B 16 -3.174 2.208 -15.581 1.00 0.00 C ATOM 735 C PRO B 16 -4.180 3.302 -15.207 1.00 0.00 C ATOM 736 O PRO B 16 -5.371 3.160 -15.403 1.00 0.00 O ATOM 737 CB PRO B 16 -2.664 2.401 -17.006 1.00 0.00 C ATOM 738 CG PRO B 16 -3.549 1.545 -17.854 1.00 0.00 C ATOM 739 CD PRO B 16 -3.987 0.384 -16.999 1.00 0.00 C ATOM 0 HA PRO B 16 -2.380 2.264 -14.836 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.721 3.447 -17.307 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.620 2.100 -17.096 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.411 2.111 -18.207 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.015 1.194 -18.737 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.018 0.099 -17.210 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.370 -0.497 -17.175 1.00 0.00 H new ATOM 747 N ILE B 17 -3.704 4.393 -14.675 1.00 0.00 N ATOM 748 CA ILE B 17 -4.613 5.502 -14.288 1.00 0.00 C ATOM 749 C ILE B 17 -3.836 6.815 -14.217 1.00 0.00 C ATOM 750 O ILE B 17 -3.462 7.260 -13.157 1.00 0.00 O ATOM 751 CB ILE B 17 -5.155 5.118 -12.911 1.00 0.00 C ATOM 752 CG1 ILE B 17 -4.016 4.594 -12.035 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.219 4.031 -13.065 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.514 4.428 -10.599 1.00 0.00 C ATOM 0 H ILE B 17 -2.715 4.563 -14.491 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.418 5.647 -15.009 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.597 5.997 -12.441 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.657 3.639 -12.419 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.174 5.286 -12.062 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.605 3.758 -12.083 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -7.034 4.405 -13.684 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.777 3.154 -13.538 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.703 4.055 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.852 5.391 -10.218 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.342 3.719 -10.581 1.00 0.00 H new ATOM 766 N TYR B 18 -3.588 7.431 -15.342 1.00 0.00 N ATOM 767 CA TYR B 18 -2.827 8.716 -15.342 1.00 0.00 C ATOM 768 C TYR B 18 -3.778 9.911 -15.237 1.00 0.00 C ATOM 769 O TYR B 18 -4.602 10.142 -16.101 1.00 0.00 O ATOM 770 CB TYR B 18 -2.088 8.737 -16.681 1.00 0.00 C ATOM 771 CG TYR B 18 -0.820 9.549 -16.549 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.249 9.062 -15.786 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.714 10.787 -17.195 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.426 9.815 -15.669 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.462 11.540 -17.078 1.00 0.00 C ATOM 776 CZ TYR B 18 1.533 11.054 -16.314 1.00 0.00 C ATOM 777 OH TYR B 18 2.692 11.795 -16.197 1.00 0.00 O ATOM 0 H TYR B 18 -3.879 7.100 -16.262 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.146 8.785 -14.494 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.849 7.720 -16.992 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.727 9.165 -17.454 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.167 8.107 -15.288 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.539 11.161 -17.783 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.251 9.440 -15.081 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.544 12.495 -17.576 1.00 0.00 H new ATOM 0 HH TYR B 18 2.601 12.627 -16.706 1.00 0.00 H new ATOM 787 N LYS B 19 -3.663 10.673 -14.185 1.00 0.00 N ATOM 788 CA LYS B 19 -4.548 11.860 -14.013 1.00 0.00 C ATOM 789 C LYS B 19 -4.364 12.447 -12.611 1.00 0.00 C ATOM 790 O LYS B 19 -4.293 11.731 -11.635 1.00 0.00 O ATOM 791 CB LYS B 19 -5.969 11.328 -14.194 1.00 0.00 C ATOM 792 CG LYS B 19 -6.573 11.917 -15.471 1.00 0.00 C ATOM 793 CD LYS B 19 -7.637 10.967 -16.021 1.00 0.00 C ATOM 794 CE LYS B 19 -8.061 11.429 -17.417 1.00 0.00 C ATOM 795 NZ LYS B 19 -9.310 12.211 -17.199 1.00 0.00 N ATOM 0 H LYS B 19 -2.990 10.524 -13.433 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.323 12.654 -14.725 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -5.957 10.240 -14.253 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.581 11.594 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.015 12.891 -15.261 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -5.792 12.075 -16.215 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.244 9.951 -16.066 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -8.500 10.946 -15.356 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -7.288 12.041 -17.882 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.237 10.580 -18.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -9.663 12.562 -18.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.029 11.601 -16.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.110 13.016 -16.572 1.00 0.00 H new ATOM 809 N LYS B 20 -4.284 13.745 -12.503 1.00 0.00 N ATOM 810 CA LYS B 20 -4.104 14.370 -11.160 1.00 0.00 C ATOM 811 C LYS B 20 -4.717 15.773 -11.141 1.00 0.00 C ATOM 812 O LYS B 20 -5.302 16.218 -12.110 1.00 0.00 O ATOM 813 CB LYS B 20 -2.591 14.445 -10.952 1.00 0.00 C ATOM 814 CG LYS B 20 -2.203 13.604 -9.734 1.00 0.00 C ATOM 815 CD LYS B 20 -1.044 14.277 -8.995 1.00 0.00 C ATOM 816 CE LYS B 20 -0.167 13.207 -8.341 1.00 0.00 C ATOM 817 NZ LYS B 20 0.384 13.858 -7.119 1.00 0.00 N ATOM 0 H LYS B 20 -4.335 14.399 -13.284 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.595 13.798 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -2.072 14.081 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -2.284 15.481 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -3.058 13.495 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.914 12.601 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.452 14.873 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.429 14.960 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.748 12.320 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS B 20 0.630 12.886 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.997 13.187 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.938 14.695 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.398 14.147 -6.497 1.00 0.00 H new ATOM 831 N ALA B 21 -4.589 16.473 -10.047 1.00 0.00 N ATOM 832 CA ALA B 21 -5.162 17.848 -9.968 1.00 0.00 C ATOM 833 C ALA B 21 -4.343 18.704 -8.998 1.00 0.00 C ATOM 834 O ALA B 21 -4.840 19.133 -7.976 1.00 0.00 O ATOM 835 CB ALA B 21 -6.586 17.656 -9.444 1.00 0.00 C ATOM 0 H ALA B 21 -4.112 16.153 -9.204 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.149 18.358 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -7.076 18.626 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -7.146 17.027 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.552 17.178 -8.465 1.00 0.00 H new ATOM 841 N PRO B 22 -3.108 18.921 -9.358 1.00 0.00 N ATOM 842 CA PRO B 22 -2.198 19.732 -8.514 1.00 0.00 C ATOM 843 C PRO B 22 -2.547 21.219 -8.619 1.00 0.00 C ATOM 844 O PRO B 22 -3.361 21.621 -9.426 1.00 0.00 O ATOM 845 CB PRO B 22 -0.819 19.456 -9.109 1.00 0.00 C ATOM 846 CG PRO B 22 -1.080 19.061 -10.528 1.00 0.00 C ATOM 847 CD PRO B 22 -2.450 18.433 -10.574 1.00 0.00 C ATOM 0 HA PRO B 22 -2.261 19.481 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -0.183 20.339 -9.056 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.307 18.661 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -1.034 19.931 -11.184 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -0.323 18.358 -10.877 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.995 18.731 -11.469 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.390 17.345 -10.585 1.00 0.00 H new ATOM 855 N THR B 23 -1.934 22.039 -7.808 1.00 0.00 N ATOM 856 CA THR B 23 -2.225 23.500 -7.860 1.00 0.00 C ATOM 857 C THR B 23 -0.923 24.287 -8.034 1.00 0.00 C ATOM 858 O THR B 23 -0.313 24.716 -7.075 1.00 0.00 O ATOM 859 CB THR B 23 -2.876 23.823 -6.514 1.00 0.00 C ATOM 860 OG1 THR B 23 -2.079 23.289 -5.466 1.00 0.00 O ATOM 861 CG2 THR B 23 -4.274 23.207 -6.461 1.00 0.00 C ATOM 0 H THR B 23 -1.244 21.759 -7.111 1.00 0.00 H new ATOM 0 HA THR B 23 -2.872 23.766 -8.696 1.00 0.00 H new ATOM 0 HB THR B 23 -2.955 24.904 -6.396 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.159 23.613 -5.557 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.737 23.438 -5.502 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.883 23.618 -7.266 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.200 22.126 -6.577 1.00 0.00 H new ATOM 869 N ASN B 24 -0.494 24.480 -9.251 1.00 0.00 N ATOM 870 CA ASN B 24 0.767 25.237 -9.487 1.00 0.00 C ATOM 871 C ASN B 24 1.879 24.703 -8.581 1.00 0.00 C ATOM 872 O ASN B 24 2.380 25.397 -7.718 1.00 0.00 O ATOM 873 CB ASN B 24 0.429 26.684 -9.133 1.00 0.00 C ATOM 874 CG ASN B 24 1.003 27.617 -10.201 1.00 0.00 C ATOM 875 OD1 ASN B 24 2.001 28.272 -9.979 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.407 27.707 -11.359 1.00 0.00 N ATOM 0 H ASN B 24 -0.963 24.146 -10.093 1.00 0.00 H new ATOM 0 HA ASN B 24 1.123 25.143 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.652 26.811 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.840 26.936 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.780 28.328 -12.078 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.431 27.157 -11.545 1.00 0.00 H new