USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=8 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 Set 1.1: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 23 THR OG1 : rot 57:sc= 0.00186 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+ -151:sc= 0.21 (180deg=-0.0164) USER MOD Single : A 18 TYR OH : rot 84:sc= 0.756 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.939 K(o=-0.94,f=-2.8!) 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+ -155:sc= 0.222 (180deg=-0.0185) USER MOD Single : B 18 TYR OH : rot 82:sc= 0.625 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -0.388 -16.217 -15.893 1.00 0.00 N ATOM 156 CA TYR A 10 -0.913 -14.957 -15.291 1.00 0.00 C ATOM 157 C TYR A 10 -0.842 -13.816 -16.310 1.00 0.00 C ATOM 158 O TYR A 10 -0.296 -13.965 -17.385 1.00 0.00 O ATOM 159 CB TYR A 10 0.008 -14.674 -14.103 1.00 0.00 C ATOM 160 CG TYR A 10 -0.150 -15.765 -13.071 1.00 0.00 C ATOM 161 CD1 TYR A 10 -1.293 -15.806 -12.263 1.00 0.00 C ATOM 162 CD2 TYR A 10 0.850 -16.736 -12.922 1.00 0.00 C ATOM 163 CE1 TYR A 10 -1.439 -16.818 -11.305 1.00 0.00 C ATOM 164 CE2 TYR A 10 0.704 -17.749 -11.964 1.00 0.00 C ATOM 165 CZ TYR A 10 -0.439 -17.790 -11.155 1.00 0.00 C ATOM 166 OH TYR A 10 -0.582 -18.787 -10.211 1.00 0.00 O ATOM 0 HA TYR A 10 -1.956 -15.046 -14.986 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.044 -14.622 -14.437 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.234 -13.706 -13.664 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.063 -15.057 -12.378 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.732 -16.704 -13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.321 -16.850 -10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.473 -18.498 -11.850 1.00 0.00 H new ATOM 0 HH TYR A 10 0.199 -19.378 -10.239 1.00 0.00 H new ATOM 176 N ASP A 11 -1.391 -12.678 -15.982 1.00 0.00 N ATOM 177 CA ASP A 11 -1.353 -11.532 -16.935 1.00 0.00 C ATOM 178 C ASP A 11 -1.391 -10.202 -16.175 1.00 0.00 C ATOM 179 O ASP A 11 -2.218 -9.351 -16.433 1.00 0.00 O ATOM 180 CB ASP A 11 -2.606 -11.692 -17.796 1.00 0.00 C ATOM 181 CG ASP A 11 -2.257 -11.437 -19.263 1.00 0.00 C ATOM 182 OD1 ASP A 11 -1.127 -11.700 -19.637 1.00 0.00 O ATOM 183 OD2 ASP A 11 -3.126 -10.982 -19.988 1.00 0.00 O ATOM 0 H ASP A 11 -1.863 -12.492 -15.097 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.442 -11.526 -17.534 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.015 -12.696 -17.678 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.376 -10.994 -17.468 1.00 0.00 H new ATOM 188 N LEU A 12 -0.498 -10.018 -15.240 1.00 0.00 N ATOM 189 CA LEU A 12 -0.481 -8.748 -14.466 1.00 0.00 C ATOM 190 C LEU A 12 0.444 -7.731 -15.143 1.00 0.00 C ATOM 191 O LEU A 12 1.096 -6.939 -14.491 1.00 0.00 O ATOM 192 CB LEU A 12 0.059 -9.128 -13.086 1.00 0.00 C ATOM 193 CG LEU A 12 -0.298 -8.036 -12.078 1.00 0.00 C ATOM 194 CD1 LEU A 12 -1.718 -8.266 -11.558 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.686 -8.082 -10.907 1.00 0.00 C ATOM 0 H LEU A 12 0.220 -10.694 -14.980 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.468 -8.290 -14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.363 -10.082 -12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.140 -9.257 -13.130 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.242 -7.062 -12.563 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.973 -7.487 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.420 -8.234 -12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.774 -9.240 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.432 -7.303 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.629 -9.057 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.699 -7.919 -11.276 1.00 0.00 H new ATOM 207 N GLY A 13 0.507 -7.750 -16.447 1.00 0.00 N ATOM 208 CA GLY A 13 1.391 -6.788 -17.165 1.00 0.00 C ATOM 209 C GLY A 13 0.817 -5.375 -17.041 1.00 0.00 C ATOM 210 O GLY A 13 1.495 -4.398 -17.289 1.00 0.00 O ATOM 0 H GLY A 13 -0.015 -8.390 -17.046 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.397 -6.821 -16.747 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.473 -7.068 -18.215 1.00 0.00 H new ATOM 214 N LYS A 14 -0.424 -5.260 -16.660 1.00 0.00 N ATOM 215 CA LYS A 14 -1.039 -3.909 -16.521 1.00 0.00 C ATOM 216 C LYS A 14 -0.570 -3.249 -15.220 1.00 0.00 C ATOM 217 O LYS A 14 -0.177 -3.915 -14.284 1.00 0.00 O ATOM 218 CB LYS A 14 -2.547 -4.160 -16.481 1.00 0.00 C ATOM 219 CG LYS A 14 -3.252 -3.190 -17.433 1.00 0.00 C ATOM 220 CD LYS A 14 -3.607 -3.915 -18.733 1.00 0.00 C ATOM 221 CE LYS A 14 -3.987 -2.889 -19.803 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.472 -2.792 -19.733 1.00 0.00 N ATOM 0 H LYS A 14 -1.040 -6.042 -16.439 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.760 -3.242 -17.337 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.763 -5.189 -16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.922 -4.027 -15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.155 -2.797 -16.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.606 -2.338 -17.645 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.760 -4.512 -19.071 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.435 -4.603 -18.564 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.519 -1.924 -19.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.658 -3.209 -20.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.809 -2.106 -20.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.890 -3.724 -19.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.755 -2.478 -18.783 1.00 0.00 H new ATOM 236 N LYS A 15 -0.607 -1.946 -15.156 1.00 0.00 N ATOM 237 CA LYS A 15 -0.163 -1.250 -13.915 1.00 0.00 C ATOM 238 C LYS A 15 -0.721 0.175 -13.876 1.00 0.00 C ATOM 239 O LYS A 15 -0.983 0.770 -14.902 1.00 0.00 O ATOM 240 CB LYS A 15 1.363 -1.230 -13.994 1.00 0.00 C ATOM 241 CG LYS A 15 1.927 -2.368 -13.141 1.00 0.00 C ATOM 242 CD LYS A 15 2.954 -3.158 -13.954 1.00 0.00 C ATOM 243 CE LYS A 15 3.752 -4.072 -13.020 1.00 0.00 C ATOM 244 NZ LYS A 15 3.254 -5.444 -13.310 1.00 0.00 N ATOM 0 H LYS A 15 -0.925 -1.334 -15.908 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.516 -1.751 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.687 -1.341 -15.029 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.745 -0.272 -13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.392 -1.965 -12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.121 -3.026 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.451 -3.751 -14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.626 -2.475 -14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.823 -3.992 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.592 -3.806 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.343 -6.033 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.255 -5.397 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.816 -5.862 -14.079 1.00 0.00 H new ATOM 258 N PRO A 16 -0.887 0.670 -12.680 1.00 0.00 N ATOM 259 CA PRO A 16 -1.426 2.040 -12.487 1.00 0.00 C ATOM 260 C PRO A 16 -0.374 3.096 -12.844 1.00 0.00 C ATOM 261 O PRO A 16 0.809 2.821 -12.888 1.00 0.00 O ATOM 262 CB PRO A 16 -1.752 2.086 -10.996 1.00 0.00 C ATOM 263 CG PRO A 16 -0.854 1.068 -10.370 1.00 0.00 C ATOM 264 CD PRO A 16 -0.592 0.006 -11.406 1.00 0.00 C ATOM 0 HA PRO A 16 -2.288 2.250 -13.120 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.571 3.078 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.801 1.852 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.080 1.527 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.321 0.635 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.440 -0.343 -11.368 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.229 -0.865 -11.254 1.00 0.00 H new ATOM 272 N ILE A 17 -0.802 4.303 -13.093 1.00 0.00 N ATOM 273 CA ILE A 17 0.152 5.387 -13.441 1.00 0.00 C ATOM 274 C ILE A 17 -0.476 6.748 -13.136 1.00 0.00 C ATOM 275 O ILE A 17 -0.618 7.588 -14.000 1.00 0.00 O ATOM 276 CB ILE A 17 0.412 5.227 -14.937 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.913 5.005 -15.670 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.330 4.026 -15.173 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.691 5.132 -17.179 1.00 0.00 C ATOM 0 H ILE A 17 -1.782 4.585 -13.069 1.00 0.00 H new ATOM 0 HA ILE A 17 1.078 5.329 -12.868 1.00 0.00 H new ATOM 0 HB ILE A 17 0.889 6.130 -15.316 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.311 4.019 -15.432 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.651 5.735 -15.338 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.514 3.913 -16.241 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.276 4.184 -14.656 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.854 3.123 -14.790 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.635 4.974 -17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.312 6.128 -17.408 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.033 4.385 -17.504 1.00 0.00 H new ATOM 291 N TYR A 18 -0.855 6.970 -11.906 1.00 0.00 N ATOM 292 CA TYR A 18 -1.477 8.274 -11.535 1.00 0.00 C ATOM 293 C TYR A 18 -0.392 9.324 -11.274 1.00 0.00 C ATOM 294 O TYR A 18 0.316 9.261 -10.289 1.00 0.00 O ATOM 295 CB TYR A 18 -2.252 7.978 -10.248 1.00 0.00 C ATOM 296 CG TYR A 18 -3.457 8.883 -10.150 1.00 0.00 C ATOM 297 CD1 TYR A 18 -3.335 10.153 -9.572 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.698 8.451 -10.633 1.00 0.00 C ATOM 299 CE1 TYR A 18 -4.456 10.990 -9.478 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.817 9.287 -10.541 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.697 10.557 -9.965 1.00 0.00 C ATOM 302 OH TYR A 18 -6.801 11.381 -9.873 1.00 0.00 O ATOM 0 H TYR A 18 -0.760 6.303 -11.140 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.117 8.669 -12.323 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.569 6.935 -10.236 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.606 8.125 -9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.378 10.487 -9.199 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.792 7.471 -11.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.363 11.968 -9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.773 8.952 -10.915 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.809 12.002 -10.631 1.00 0.00 H new ATOM 312 N LYS A 19 -0.253 10.290 -12.142 1.00 0.00 N ATOM 313 CA LYS A 19 0.791 11.335 -11.924 1.00 0.00 C ATOM 314 C LYS A 19 0.784 12.358 -13.066 1.00 0.00 C ATOM 315 O LYS A 19 1.799 12.623 -13.677 1.00 0.00 O ATOM 316 CB LYS A 19 2.115 10.573 -11.898 1.00 0.00 C ATOM 317 CG LYS A 19 2.850 10.872 -10.590 1.00 0.00 C ATOM 318 CD LYS A 19 4.291 10.367 -10.686 1.00 0.00 C ATOM 319 CE LYS A 19 4.776 9.939 -9.299 1.00 0.00 C ATOM 320 NZ LYS A 19 5.942 10.820 -9.012 1.00 0.00 N ATOM 0 H LYS A 19 -0.813 10.401 -12.987 1.00 0.00 H new ATOM 0 HA LYS A 19 0.620 11.894 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.932 9.502 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.731 10.864 -12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.842 11.944 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.340 10.391 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.348 9.527 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.936 11.151 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.993 10.064 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.063 8.888 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.331 10.587 -8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.674 10.675 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.637 11.814 -9.023 1.00 0.00 H new ATOM 334 N LYS A 20 -0.349 12.938 -13.354 1.00 0.00 N ATOM 335 CA LYS A 20 -0.410 13.947 -14.451 1.00 0.00 C ATOM 336 C LYS A 20 0.394 15.191 -14.067 1.00 0.00 C ATOM 337 O LYS A 20 0.614 15.465 -12.903 1.00 0.00 O ATOM 338 CB LYS A 20 -1.895 14.286 -14.596 1.00 0.00 C ATOM 339 CG LYS A 20 -2.082 15.300 -15.726 1.00 0.00 C ATOM 340 CD LYS A 20 -3.564 15.664 -15.839 1.00 0.00 C ATOM 341 CE LYS A 20 -3.788 16.525 -17.084 1.00 0.00 C ATOM 342 NZ LYS A 20 -4.626 17.664 -16.616 1.00 0.00 N ATOM 0 H LYS A 20 -1.233 12.758 -12.879 1.00 0.00 H new ATOM 0 HA LYS A 20 0.013 13.573 -15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.466 13.382 -14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.278 14.694 -13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.490 16.194 -15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.726 14.882 -16.668 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.168 14.758 -15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.885 16.204 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.842 16.874 -17.498 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.291 15.961 -17.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.823 18.301 -17.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.522 17.301 -16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.118 18.186 -15.874 1.00 0.00 H new ATOM 356 N ALA A 21 0.839 15.946 -15.035 1.00 0.00 N ATOM 357 CA ALA A 21 1.631 17.170 -14.722 1.00 0.00 C ATOM 358 C ALA A 21 0.734 18.235 -14.085 1.00 0.00 C ATOM 359 O ALA A 21 -0.464 18.239 -14.287 1.00 0.00 O ATOM 360 CB ALA A 21 2.165 17.654 -16.070 1.00 0.00 C ATOM 0 H ALA A 21 0.688 15.768 -16.028 1.00 0.00 H new ATOM 0 HA ALA A 21 2.435 16.970 -14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.761 18.555 -15.923 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.786 16.877 -16.515 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.329 17.876 -16.734 1.00 0.00 H new ATOM 366 N PRO A 22 1.351 19.105 -13.334 1.00 0.00 N ATOM 367 CA PRO A 22 0.605 20.193 -12.656 1.00 0.00 C ATOM 368 C PRO A 22 0.171 21.255 -13.669 1.00 0.00 C ATOM 369 O PRO A 22 0.964 22.051 -14.129 1.00 0.00 O ATOM 370 CB PRO A 22 1.622 20.763 -11.671 1.00 0.00 C ATOM 371 CG PRO A 22 2.958 20.426 -12.254 1.00 0.00 C ATOM 372 CD PRO A 22 2.789 19.158 -13.050 1.00 0.00 C ATOM 0 HA PRO A 22 -0.307 19.849 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.501 21.840 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.501 20.324 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.315 21.235 -12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.699 20.290 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.376 19.182 -13.968 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.116 18.285 -12.485 1.00 0.00 H new ATOM 380 N THR A 23 -1.086 21.273 -14.020 1.00 0.00 N ATOM 381 CA THR A 23 -1.572 22.283 -15.003 1.00 0.00 C ATOM 382 C THR A 23 -2.856 22.940 -14.493 1.00 0.00 C ATOM 383 O THR A 23 -3.947 22.463 -14.737 1.00 0.00 O ATOM 384 CB THR A 23 -1.845 21.492 -16.282 1.00 0.00 C ATOM 385 OG1 THR A 23 -2.358 20.211 -15.944 1.00 0.00 O ATOM 386 CG2 THR A 23 -0.546 21.331 -17.074 1.00 0.00 C ATOM 0 H THR A 23 -1.797 20.632 -13.669 1.00 0.00 H new ATOM 0 HA THR A 23 -0.849 23.083 -15.166 1.00 0.00 H new ATOM 0 HB THR A 23 -2.574 22.027 -16.891 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.164 20.315 -15.396 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.743 20.767 -17.985 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.154 22.314 -17.334 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.186 20.797 -16.468 1.00 0.00 H new ATOM 394 N ASN A 24 -2.737 24.029 -13.785 1.00 0.00 N ATOM 395 CA ASN A 24 -3.953 24.713 -13.261 1.00 0.00 C ATOM 396 C ASN A 24 -4.589 25.576 -14.354 1.00 0.00 C ATOM 397 O ASN A 24 -5.794 25.718 -14.424 1.00 0.00 O ATOM 398 CB ASN A 24 -3.453 25.587 -12.109 1.00 0.00 C ATOM 399 CG ASN A 24 -4.649 26.190 -11.371 1.00 0.00 C ATOM 400 OD1 ASN A 24 -5.620 26.587 -11.984 1.00 0.00 O ATOM 401 ND2 ASN A 24 -4.621 26.276 -10.069 1.00 0.00 N ATOM 0 H ASN A 24 -1.851 24.475 -13.547 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.715 24.005 -12.934 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.850 24.993 -11.422 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.811 26.380 -12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.414 26.676 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.806 25.943 -9.553 1.00 0.00 H new ATOM 630 N TYR B 10 -5.385 -16.101 -15.683 1.00 0.00 N ATOM 631 CA TYR B 10 -4.794 -14.778 -16.037 1.00 0.00 C ATOM 632 C TYR B 10 -4.798 -13.855 -14.814 1.00 0.00 C ATOM 633 O TYR B 10 -5.344 -14.183 -13.780 1.00 0.00 O ATOM 634 CB TYR B 10 -5.700 -14.220 -17.134 1.00 0.00 C ATOM 635 CG TYR B 10 -5.606 -15.096 -18.360 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.468 -15.040 -19.176 1.00 0.00 C ATOM 637 CD2 TYR B 10 -6.657 -15.966 -18.681 1.00 0.00 C ATOM 638 CE1 TYR B 10 -4.381 -15.854 -20.314 1.00 0.00 C ATOM 639 CE2 TYR B 10 -6.570 -16.779 -19.820 1.00 0.00 C ATOM 640 CZ TYR B 10 -5.432 -16.724 -20.635 1.00 0.00 C ATOM 641 OH TYR B 10 -5.346 -17.525 -21.756 1.00 0.00 O ATOM 0 HA TYR B 10 -3.759 -14.862 -16.369 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.731 -14.178 -16.782 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.405 -13.200 -17.380 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.658 -14.370 -18.928 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.533 -16.010 -18.051 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.504 -15.811 -20.943 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -7.381 -17.448 -20.069 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.158 -18.068 -21.833 1.00 0.00 H new ATOM 651 N ASP B 11 -4.189 -12.705 -14.922 1.00 0.00 N ATOM 652 CA ASP B 11 -4.159 -11.767 -13.763 1.00 0.00 C ATOM 653 C ASP B 11 -4.050 -10.319 -14.250 1.00 0.00 C ATOM 654 O ASP B 11 -3.176 -9.581 -13.841 1.00 0.00 O ATOM 655 CB ASP B 11 -2.914 -12.161 -12.968 1.00 0.00 C ATOM 656 CG ASP B 11 -3.245 -12.178 -11.474 1.00 0.00 C ATOM 657 OD1 ASP B 11 -4.388 -12.447 -11.144 1.00 0.00 O ATOM 658 OD2 ASP B 11 -2.350 -11.921 -10.686 1.00 0.00 O ATOM 0 H ASP B 11 -3.712 -12.375 -15.761 1.00 0.00 H new ATOM 0 HA ASP B 11 -5.065 -11.829 -13.161 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -2.563 -13.143 -13.285 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -2.106 -11.456 -13.164 1.00 0.00 H new ATOM 663 N LEU B 12 -4.932 -9.909 -15.118 1.00 0.00 N ATOM 664 CA LEU B 12 -4.883 -8.514 -15.630 1.00 0.00 C ATOM 665 C LEU B 12 -5.747 -7.601 -14.755 1.00 0.00 C ATOM 666 O LEU B 12 -6.354 -6.662 -15.232 1.00 0.00 O ATOM 667 CB LEU B 12 -5.446 -8.591 -17.049 1.00 0.00 C ATOM 668 CG LEU B 12 -5.034 -7.344 -17.832 1.00 0.00 C ATOM 669 CD1 LEU B 12 -3.630 -7.542 -18.407 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.024 -7.109 -18.976 1.00 0.00 C ATOM 0 H LEU B 12 -5.686 -10.483 -15.495 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.873 -8.103 -15.617 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.076 -9.486 -17.550 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.533 -8.670 -17.016 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.036 -6.481 -17.166 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.337 -6.653 -18.965 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.924 -7.709 -17.594 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -3.628 -8.405 -19.073 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -5.730 -6.220 -19.534 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -6.023 -7.972 -19.641 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -7.025 -6.967 -18.568 1.00 0.00 H new ATOM 682 N GLY B 13 -5.810 -7.872 -13.480 1.00 0.00 N ATOM 683 CA GLY B 13 -6.637 -7.022 -12.576 1.00 0.00 C ATOM 684 C GLY B 13 -5.987 -5.645 -12.430 1.00 0.00 C ATOM 685 O GLY B 13 -6.608 -4.699 -11.988 1.00 0.00 O ATOM 0 H GLY B 13 -5.325 -8.645 -13.025 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.645 -6.919 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -6.731 -7.496 -11.599 1.00 0.00 H new ATOM 689 N LYS B 14 -4.740 -5.524 -12.798 1.00 0.00 N ATOM 690 CA LYS B 14 -4.053 -4.207 -12.681 1.00 0.00 C ATOM 691 C LYS B 14 -4.486 -3.285 -13.824 1.00 0.00 C ATOM 692 O LYS B 14 -4.911 -3.735 -14.870 1.00 0.00 O ATOM 693 CB LYS B 14 -2.562 -4.529 -12.785 1.00 0.00 C ATOM 694 CG LYS B 14 -1.800 -3.800 -11.675 1.00 0.00 C ATOM 695 CD LYS B 14 -1.481 -4.782 -10.545 1.00 0.00 C ATOM 696 CE LYS B 14 -1.042 -4.006 -9.301 1.00 0.00 C ATOM 697 NZ LYS B 14 0.445 -3.976 -9.374 1.00 0.00 N ATOM 0 H LYS B 14 -4.168 -6.280 -13.174 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.294 -3.694 -11.750 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.405 -5.604 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.181 -4.226 -13.760 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -0.879 -3.373 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.397 -2.971 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -2.358 -5.388 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.692 -5.467 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.458 -2.998 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.383 -4.496 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.822 -3.460 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 0.812 -4.949 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.740 -3.498 -10.249 1.00 0.00 H new ATOM 711 N LYS B 15 -4.382 -1.997 -13.635 1.00 0.00 N ATOM 712 CA LYS B 15 -4.789 -1.051 -14.714 1.00 0.00 C ATOM 713 C LYS B 15 -4.154 0.322 -14.482 1.00 0.00 C ATOM 714 O LYS B 15 -3.855 0.690 -13.363 1.00 0.00 O ATOM 715 CB LYS B 15 -6.312 -0.963 -14.611 1.00 0.00 C ATOM 716 CG LYS B 15 -6.943 -1.880 -15.660 1.00 0.00 C ATOM 717 CD LYS B 15 -8.009 -2.757 -15.000 1.00 0.00 C ATOM 718 CE LYS B 15 -8.859 -3.429 -16.081 1.00 0.00 C ATOM 719 NZ LYS B 15 -8.435 -4.858 -16.073 1.00 0.00 N ATOM 0 H LYS B 15 -4.034 -1.560 -12.782 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.467 -1.386 -15.700 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.638 -1.255 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.640 0.065 -14.765 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -7.389 -1.285 -16.457 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.177 -2.505 -16.120 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -7.536 -3.512 -14.373 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.641 -2.152 -14.349 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -9.923 -3.332 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.690 -2.973 -17.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.623 -5.281 -17.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.418 -4.917 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.968 -5.374 -15.344 1.00 0.00 H new ATOM 733 N PRO B 16 -3.965 1.034 -15.560 1.00 0.00 N ATOM 734 CA PRO B 16 -3.352 2.383 -15.489 1.00 0.00 C ATOM 735 C PRO B 16 -4.342 3.403 -14.917 1.00 0.00 C ATOM 736 O PRO B 16 -5.538 3.187 -14.906 1.00 0.00 O ATOM 737 CB PRO B 16 -3.028 2.704 -16.944 1.00 0.00 C ATOM 738 CG PRO B 16 -3.982 1.878 -17.747 1.00 0.00 C ATOM 739 CD PRO B 16 -4.299 0.649 -16.935 1.00 0.00 C ATOM 0 HA PRO B 16 -2.477 2.417 -14.840 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.156 3.767 -17.151 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.994 2.455 -17.182 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.890 2.441 -17.964 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.541 1.603 -18.705 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.349 0.370 -17.027 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.711 -0.208 -17.263 1.00 0.00 H new ATOM 747 N ILE B 17 -3.847 4.516 -14.448 1.00 0.00 N ATOM 748 CA ILE B 17 -4.740 5.560 -13.884 1.00 0.00 C ATOM 749 C ILE B 17 -4.039 6.920 -13.925 1.00 0.00 C ATOM 750 O ILE B 17 -3.851 7.565 -12.915 1.00 0.00 O ATOM 751 CB ILE B 17 -5.006 5.126 -12.442 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.695 4.699 -11.781 1.00 0.00 C ATOM 753 CG2 ILE B 17 -5.986 3.950 -12.433 1.00 0.00 C ATOM 754 CD1 ILE B 17 -3.909 4.541 -10.273 1.00 0.00 C ATOM 0 H ILE B 17 -2.853 4.746 -14.433 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.668 5.663 -14.446 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.434 5.962 -11.889 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.349 3.759 -12.210 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.920 5.441 -11.973 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.175 3.642 -11.405 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.923 4.254 -12.899 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.558 3.116 -12.989 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.974 4.237 -9.803 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.235 5.491 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.670 3.782 -10.091 1.00 0.00 H new ATOM 766 N TYR B 18 -3.649 7.356 -15.091 1.00 0.00 N ATOM 767 CA TYR B 18 -2.957 8.672 -15.209 1.00 0.00 C ATOM 768 C TYR B 18 -3.984 9.809 -15.247 1.00 0.00 C ATOM 769 O TYR B 18 -4.698 9.976 -16.216 1.00 0.00 O ATOM 770 CB TYR B 18 -2.203 8.592 -16.538 1.00 0.00 C ATOM 771 CG TYR B 18 -0.951 9.433 -16.471 1.00 0.00 C ATOM 772 CD1 TYR B 18 -1.004 10.796 -16.790 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.265 8.848 -16.097 1.00 0.00 C ATOM 774 CE1 TYR B 18 0.160 11.574 -16.733 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.428 9.625 -16.039 1.00 0.00 C ATOM 776 CZ TYR B 18 1.377 10.988 -16.357 1.00 0.00 C ATOM 777 OH TYR B 18 2.524 11.754 -16.302 1.00 0.00 O ATOM 0 H TYR B 18 -3.780 6.856 -15.971 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.294 8.871 -14.367 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.944 7.556 -16.757 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.842 8.940 -17.350 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.942 11.247 -17.080 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.306 7.797 -15.853 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.120 12.625 -16.979 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.365 9.173 -15.749 1.00 0.00 H new ATOM 0 HH TYR B 18 2.557 12.232 -15.447 1.00 0.00 H new ATOM 787 N LYS B 19 -4.066 10.595 -14.207 1.00 0.00 N ATOM 788 CA LYS B 19 -5.051 11.716 -14.203 1.00 0.00 C ATOM 789 C LYS B 19 -4.986 12.495 -12.885 1.00 0.00 C ATOM 790 O LYS B 19 -5.983 12.687 -12.218 1.00 0.00 O ATOM 791 CB LYS B 19 -6.417 11.045 -14.360 1.00 0.00 C ATOM 792 CG LYS B 19 -7.140 11.633 -15.573 1.00 0.00 C ATOM 793 CD LYS B 19 -8.606 11.195 -15.556 1.00 0.00 C ATOM 794 CE LYS B 19 -9.119 11.074 -16.993 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.237 12.055 -17.086 1.00 0.00 N ATOM 0 H LYS B 19 -3.497 10.511 -13.364 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.850 12.434 -14.998 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.293 9.969 -14.484 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -7.013 11.196 -13.460 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.074 12.721 -15.557 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.660 11.299 -16.493 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.705 10.239 -15.041 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.206 11.918 -15.004 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.333 11.301 -17.713 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.463 10.062 -17.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.641 12.031 -18.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.973 11.809 -16.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.878 13.010 -16.886 1.00 0.00 H new ATOM 809 N LYS B 20 -3.822 12.948 -12.506 1.00 0.00 N ATOM 810 CA LYS B 20 -3.702 13.719 -11.233 1.00 0.00 C ATOM 811 C LYS B 20 -4.439 15.056 -11.356 1.00 0.00 C ATOM 812 O LYS B 20 -4.647 15.564 -12.440 1.00 0.00 O ATOM 813 CB LYS B 20 -2.202 13.944 -11.044 1.00 0.00 C ATOM 814 CG LYS B 20 -1.955 14.704 -9.740 1.00 0.00 C ATOM 815 CD LYS B 20 -0.454 14.959 -9.579 1.00 0.00 C ATOM 816 CE LYS B 20 -0.180 15.548 -8.194 1.00 0.00 C ATOM 817 NZ LYS B 20 0.718 16.710 -8.441 1.00 0.00 N ATOM 0 H LYS B 20 -2.951 12.819 -13.020 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.141 13.192 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.681 12.987 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.800 14.507 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.497 15.650 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.331 14.129 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS B 20 0.099 14.028 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -0.106 15.644 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.104 15.860 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS B 20 0.293 14.815 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.951 17.167 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.592 16.382 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.239 17.394 -9.061 1.00 0.00 H new ATOM 831 N ALA B 21 -4.837 15.630 -10.254 1.00 0.00 N ATOM 832 CA ALA B 21 -5.563 16.932 -10.312 1.00 0.00 C ATOM 833 C ALA B 21 -4.610 18.051 -10.740 1.00 0.00 C ATOM 834 O ALA B 21 -3.413 17.952 -10.558 1.00 0.00 O ATOM 835 CB ALA B 21 -6.065 17.171 -8.887 1.00 0.00 C ATOM 0 H ALA B 21 -4.692 15.255 -9.317 1.00 0.00 H new ATOM 0 HA ALA B 21 -6.379 16.917 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.611 18.113 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -6.726 16.356 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -5.216 17.215 -8.205 1.00 0.00 H new ATOM 841 N PRO B 22 -5.181 19.082 -11.300 1.00 0.00 N ATOM 842 CA PRO B 22 -4.379 20.240 -11.764 1.00 0.00 C ATOM 843 C PRO B 22 -3.883 21.060 -10.569 1.00 0.00 C ATOM 844 O PRO B 22 -4.631 21.792 -9.953 1.00 0.00 O ATOM 845 CB PRO B 22 -5.364 21.045 -12.606 1.00 0.00 C ATOM 846 CG PRO B 22 -6.715 20.673 -12.083 1.00 0.00 C ATOM 847 CD PRO B 22 -6.614 19.266 -11.550 1.00 0.00 C ATOM 0 HA PRO B 22 -3.489 19.949 -12.322 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -5.184 22.116 -12.508 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -5.270 20.801 -13.664 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -7.026 21.361 -11.297 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -7.463 20.732 -12.873 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -7.197 19.142 -10.638 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -6.990 18.539 -12.270 1.00 0.00 H new ATOM 855 N THR B 23 -2.626 20.942 -10.238 1.00 0.00 N ATOM 856 CA THR B 23 -2.083 21.713 -9.084 1.00 0.00 C ATOM 857 C THR B 23 -0.765 22.387 -9.473 1.00 0.00 C ATOM 858 O THR B 23 0.299 21.814 -9.339 1.00 0.00 O ATOM 859 CB THR B 23 -1.850 20.672 -7.986 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.410 19.457 -8.576 1.00 0.00 O ATOM 861 CG2 THR B 23 -3.154 20.430 -7.225 1.00 0.00 C ATOM 0 H THR B 23 -1.952 20.345 -10.717 1.00 0.00 H new ATOM 0 HA THR B 23 -2.760 22.503 -8.759 1.00 0.00 H new ATOM 0 HB THR B 23 -1.091 21.036 -7.293 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.259 18.789 -7.875 1.00 0.00 H new ATOM 0 HG21 THR B 23 -2.987 19.689 -6.444 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.491 21.363 -6.774 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.915 20.065 -7.914 1.00 0.00 H new ATOM 869 N ASN B 24 -0.826 23.597 -9.956 1.00 0.00 N ATOM 870 CA ASN B 24 0.425 24.304 -10.354 1.00 0.00 C ATOM 871 C ASN B 24 1.111 24.903 -9.124 1.00 0.00 C ATOM 872 O ASN B 24 2.322 24.963 -9.045 1.00 0.00 O ATOM 873 CB ASN B 24 -0.031 25.410 -11.306 1.00 0.00 C ATOM 874 CG ASN B 24 1.194 26.082 -11.930 1.00 0.00 C ATOM 875 OD1 ASN B 24 2.187 26.301 -11.264 1.00 0.00 O ATOM 876 ND2 ASN B 24 1.168 26.420 -13.189 1.00 0.00 N ATOM 0 H ASN B 24 -1.687 24.127 -10.092 1.00 0.00 H new ATOM 0 HA ASN B 24 1.146 23.634 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.668 24.993 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.628 26.146 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.980 26.868 -13.614 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.335 26.237 -13.749 1.00 0.00 H new