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 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+ -161:sc= 0 (180deg=-0.39) USER MOD Single : A 23 THR OG1 : rot 110:sc= 0.682! USER MOD Single : A 24 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.4!) 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 -63:sc= 0.00115 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.451) USER MOD Single : B 23 THR OG1 : rot 138:sc= 1.14 USER MOD Single : B 24 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -5.027 -13.610 -17.846 1.00 0.00 N ATOM 156 CA TYR A 10 -3.700 -13.504 -18.517 1.00 0.00 C ATOM 157 C TYR A 10 -2.589 -13.336 -17.477 1.00 0.00 C ATOM 158 O TYR A 10 -1.995 -14.296 -17.029 1.00 0.00 O ATOM 159 CB TYR A 10 -3.801 -12.262 -19.402 1.00 0.00 C ATOM 160 CG TYR A 10 -4.390 -12.642 -20.739 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.690 -13.506 -21.592 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.636 -12.132 -21.128 1.00 0.00 C ATOM 163 CE1 TYR A 10 -4.236 -13.860 -22.833 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.182 -12.487 -22.369 1.00 0.00 C ATOM 165 CZ TYR A 10 -5.483 -13.351 -23.221 1.00 0.00 C ATOM 166 OH TYR A 10 -6.020 -13.700 -24.443 1.00 0.00 O ATOM 0 HA TYR A 10 -3.458 -14.397 -19.094 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.424 -11.508 -18.920 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.814 -11.820 -19.540 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.730 -13.899 -21.293 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.175 -11.465 -20.471 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.696 -14.525 -23.491 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.142 -12.094 -22.668 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.889 -13.262 -24.556 1.00 0.00 H new ATOM 176 N ASP A 11 -2.302 -12.122 -17.090 1.00 0.00 N ATOM 177 CA ASP A 11 -1.227 -11.899 -16.080 1.00 0.00 C ATOM 178 C ASP A 11 -1.245 -10.446 -15.594 1.00 0.00 C ATOM 179 O ASP A 11 -1.717 -9.558 -16.275 1.00 0.00 O ATOM 180 CB ASP A 11 0.078 -12.200 -16.819 1.00 0.00 C ATOM 181 CG ASP A 11 1.229 -12.279 -15.813 1.00 0.00 C ATOM 182 OD1 ASP A 11 0.967 -12.128 -14.630 1.00 0.00 O ATOM 183 OD2 ASP A 11 2.351 -12.489 -16.243 1.00 0.00 O ATOM 0 H ASP A 11 -2.764 -11.278 -17.428 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.353 -12.528 -15.199 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.009 -13.141 -17.363 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.278 -11.423 -17.556 1.00 0.00 H new ATOM 188 N LEU A 12 -0.736 -10.202 -14.417 1.00 0.00 N ATOM 189 CA LEU A 12 -0.723 -8.813 -13.881 1.00 0.00 C ATOM 190 C LEU A 12 0.339 -7.974 -14.598 1.00 0.00 C ATOM 191 O LEU A 12 1.273 -7.487 -13.992 1.00 0.00 O ATOM 192 CB LEU A 12 -0.370 -8.967 -12.401 1.00 0.00 C ATOM 193 CG LEU A 12 -1.245 -8.031 -11.566 1.00 0.00 C ATOM 194 CD1 LEU A 12 -2.694 -8.519 -11.602 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.747 -8.024 -10.119 1.00 0.00 C ATOM 0 H LEU A 12 -0.328 -10.907 -13.803 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.677 -8.307 -14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.521 -10.000 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.683 -8.736 -12.242 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.191 -7.022 -11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.318 -7.852 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.050 -8.526 -12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.748 -9.528 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.370 -7.357 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.802 -9.033 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.286 -7.677 -10.091 1.00 0.00 H new ATOM 207 N GLY A 13 0.205 -7.800 -15.884 1.00 0.00 N ATOM 208 CA GLY A 13 1.208 -6.991 -16.633 1.00 0.00 C ATOM 209 C GLY A 13 0.804 -5.516 -16.605 1.00 0.00 C ATOM 210 O GLY A 13 1.622 -4.635 -16.779 1.00 0.00 O ATOM 0 H GLY A 13 -0.554 -8.182 -16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.196 -7.116 -16.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.275 -7.340 -17.663 1.00 0.00 H new ATOM 214 N LYS A 14 -0.453 -5.239 -16.390 1.00 0.00 N ATOM 215 CA LYS A 14 -0.909 -3.819 -16.354 1.00 0.00 C ATOM 216 C LYS A 14 -0.423 -3.137 -15.073 1.00 0.00 C ATOM 217 O LYS A 14 -0.050 -3.785 -14.114 1.00 0.00 O ATOM 218 CB LYS A 14 -2.435 -3.890 -16.377 1.00 0.00 C ATOM 219 CG LYS A 14 -2.968 -3.032 -17.525 1.00 0.00 C ATOM 220 CD LYS A 14 -2.456 -3.584 -18.856 1.00 0.00 C ATOM 221 CE LYS A 14 -2.031 -2.425 -19.760 1.00 0.00 C ATOM 222 NZ LYS A 14 -0.668 -2.791 -20.237 1.00 0.00 N ATOM 0 H LYS A 14 -1.184 -5.934 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.516 -3.240 -17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.760 -4.923 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.840 -3.539 -15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.058 -3.030 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.646 -1.998 -17.400 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.613 -4.253 -18.684 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.235 -4.171 -19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.721 -2.301 -20.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.018 -1.482 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.307 -2.044 -20.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.031 -2.896 -19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.713 -3.689 -20.759 1.00 0.00 H new ATOM 236 N LYS A 15 -0.424 -1.831 -15.048 1.00 0.00 N ATOM 237 CA LYS A 15 0.039 -1.107 -13.829 1.00 0.00 C ATOM 238 C LYS A 15 -0.585 0.291 -13.772 1.00 0.00 C ATOM 239 O LYS A 15 -0.762 0.933 -14.789 1.00 0.00 O ATOM 240 CB LYS A 15 1.556 -1.006 -13.979 1.00 0.00 C ATOM 241 CG LYS A 15 2.222 -2.198 -13.288 1.00 0.00 C ATOM 242 CD LYS A 15 3.711 -1.909 -13.093 1.00 0.00 C ATOM 243 CE LYS A 15 4.181 -2.518 -11.770 1.00 0.00 C ATOM 244 NZ LYS A 15 4.597 -1.354 -10.939 1.00 0.00 N ATOM 0 H LYS A 15 -0.725 -1.235 -15.819 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.248 -1.622 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.826 -0.987 -15.035 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.913 -0.074 -13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.748 -2.385 -12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.091 -3.099 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.284 -2.325 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.886 -0.833 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.382 -3.082 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.010 -3.209 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.933 -1.690 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.363 -0.840 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.786 -0.717 -10.803 1.00 0.00 H new ATOM 258 N PRO A 16 -0.890 0.714 -12.577 1.00 0.00 N ATOM 259 CA PRO A 16 -1.495 2.054 -12.372 1.00 0.00 C ATOM 260 C PRO A 16 -0.448 3.149 -12.592 1.00 0.00 C ATOM 261 O PRO A 16 0.741 2.915 -12.501 1.00 0.00 O ATOM 262 CB PRO A 16 -1.948 2.021 -10.916 1.00 0.00 C ATOM 263 CG PRO A 16 -1.071 1.002 -10.260 1.00 0.00 C ATOM 264 CD PRO A 16 -0.701 -0.007 -11.314 1.00 0.00 C ATOM 0 HA PRO A 16 -2.311 2.269 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.837 2.998 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.000 1.746 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.179 1.471 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.592 0.521 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.328 -0.346 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.336 -0.891 -11.260 1.00 0.00 H new ATOM 272 N ILE A 17 -0.883 4.344 -12.874 1.00 0.00 N ATOM 273 CA ILE A 17 0.069 5.459 -13.094 1.00 0.00 C ATOM 274 C ILE A 17 -0.625 6.792 -12.827 1.00 0.00 C ATOM 275 O ILE A 17 -0.921 7.531 -13.734 1.00 0.00 O ATOM 276 CB ILE A 17 0.492 5.355 -14.561 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.743 5.179 -15.446 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.423 4.155 -14.743 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.367 5.422 -16.908 1.00 0.00 C ATOM 0 H ILE A 17 -1.868 4.595 -12.962 1.00 0.00 H new ATOM 0 HA ILE A 17 0.930 5.403 -12.427 1.00 0.00 H new ATOM 0 HB ILE A 17 1.014 6.268 -14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.148 4.174 -15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.524 5.876 -15.140 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.723 4.083 -15.788 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.308 4.283 -14.119 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.902 3.243 -14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.249 5.296 -17.536 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.017 6.436 -17.021 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.399 4.708 -17.210 1.00 0.00 H new ATOM 291 N TYR A 18 -0.888 7.102 -11.587 1.00 0.00 N ATOM 292 CA TYR A 18 -1.568 8.391 -11.268 1.00 0.00 C ATOM 293 C TYR A 18 -0.532 9.502 -11.067 1.00 0.00 C ATOM 294 O TYR A 18 -0.042 9.717 -9.976 1.00 0.00 O ATOM 295 CB TYR A 18 -2.331 8.126 -9.969 1.00 0.00 C ATOM 296 CG TYR A 18 -3.445 9.135 -9.819 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.515 9.136 -10.725 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.412 10.069 -8.776 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.548 10.071 -10.588 1.00 0.00 C ATOM 300 CE2 TYR A 18 -4.447 11.004 -8.638 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.515 11.005 -9.544 1.00 0.00 C ATOM 302 OH TYR A 18 -6.534 11.926 -9.409 1.00 0.00 O ATOM 0 H TYR A 18 -0.662 6.519 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.230 8.718 -12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.741 7.116 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.653 8.189 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.542 8.415 -11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.588 10.069 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.371 10.072 -11.287 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.421 11.724 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.357 12.499 -8.634 1.00 0.00 H new ATOM 312 N LYS A 19 -0.196 10.209 -12.111 1.00 0.00 N ATOM 313 CA LYS A 19 0.807 11.306 -11.977 1.00 0.00 C ATOM 314 C LYS A 19 0.588 12.359 -13.068 1.00 0.00 C ATOM 315 O LYS A 19 1.465 13.140 -13.377 1.00 0.00 O ATOM 316 CB LYS A 19 2.165 10.625 -12.149 1.00 0.00 C ATOM 317 CG LYS A 19 2.826 10.456 -10.780 1.00 0.00 C ATOM 318 CD LYS A 19 4.182 9.767 -10.946 1.00 0.00 C ATOM 319 CE LYS A 19 4.799 9.518 -9.568 1.00 0.00 C ATOM 320 NZ LYS A 19 6.132 10.182 -9.618 1.00 0.00 N ATOM 0 H LYS A 19 -0.571 10.076 -13.050 1.00 0.00 H new ATOM 0 HA LYS A 19 0.730 11.822 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.039 9.653 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.803 11.221 -12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.957 11.429 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.185 9.866 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.060 8.823 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.846 10.388 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.179 9.937 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.896 8.451 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.618 10.055 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.703 9.758 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.007 11.197 -9.805 1.00 0.00 H new ATOM 334 N LYS A 20 -0.578 12.383 -13.652 1.00 0.00 N ATOM 335 CA LYS A 20 -0.861 13.382 -14.723 1.00 0.00 C ATOM 336 C LYS A 20 -0.813 14.805 -14.154 1.00 0.00 C ATOM 337 O LYS A 20 -0.831 15.007 -12.956 1.00 0.00 O ATOM 338 CB LYS A 20 -2.273 13.047 -15.208 1.00 0.00 C ATOM 339 CG LYS A 20 -2.421 13.455 -16.674 1.00 0.00 C ATOM 340 CD LYS A 20 -3.463 14.570 -16.791 1.00 0.00 C ATOM 341 CE LYS A 20 -4.396 14.276 -17.967 1.00 0.00 C ATOM 342 NZ LYS A 20 -3.521 14.324 -19.171 1.00 0.00 N ATOM 0 H LYS A 20 -1.350 11.753 -13.434 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.128 13.341 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.463 11.980 -15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.011 13.568 -14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.463 13.796 -17.066 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.723 12.596 -17.273 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.037 14.644 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.969 15.530 -16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.870 13.300 -17.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.196 15.013 -18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.106 14.455 -20.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.854 15.117 -19.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.990 13.433 -19.250 1.00 0.00 H new ATOM 356 N ALA A 21 -0.755 15.791 -15.009 1.00 0.00 N ATOM 357 CA ALA A 21 -0.708 17.202 -14.524 1.00 0.00 C ATOM 358 C ALA A 21 -1.206 18.148 -15.621 1.00 0.00 C ATOM 359 O ALA A 21 -0.422 18.776 -16.305 1.00 0.00 O ATOM 360 CB ALA A 21 0.766 17.467 -14.215 1.00 0.00 C ATOM 0 H ALA A 21 -0.738 15.681 -16.023 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.340 17.363 -13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.884 18.488 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.109 16.768 -13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.357 17.334 -15.121 1.00 0.00 H new ATOM 366 N PRO A 22 -2.503 18.212 -15.753 1.00 0.00 N ATOM 367 CA PRO A 22 -3.128 19.082 -16.779 1.00 0.00 C ATOM 368 C PRO A 22 -3.034 20.555 -16.373 1.00 0.00 C ATOM 369 O PRO A 22 -3.368 21.440 -17.133 1.00 0.00 O ATOM 370 CB PRO A 22 -4.582 18.619 -16.804 1.00 0.00 C ATOM 371 CG PRO A 22 -4.821 18.019 -15.454 1.00 0.00 C ATOM 372 CD PRO A 22 -3.501 17.483 -14.962 1.00 0.00 C ATOM 0 HA PRO A 22 -2.642 19.007 -17.752 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.259 19.453 -16.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.750 17.889 -17.596 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.213 18.767 -14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.562 17.221 -15.514 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.371 17.661 -13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.425 16.407 -15.117 1.00 0.00 H new ATOM 380 N THR A 23 -2.581 20.823 -15.180 1.00 0.00 N ATOM 381 CA THR A 23 -2.468 22.240 -14.728 1.00 0.00 C ATOM 382 C THR A 23 -1.112 22.477 -14.062 1.00 0.00 C ATOM 383 O THR A 23 -0.632 21.661 -13.300 1.00 0.00 O ATOM 384 CB THR A 23 -3.602 22.426 -13.718 1.00 0.00 C ATOM 385 OG1 THR A 23 -3.847 21.196 -13.050 1.00 0.00 O ATOM 386 CG2 THR A 23 -4.869 22.874 -14.447 1.00 0.00 C ATOM 0 H THR A 23 -2.284 20.124 -14.499 1.00 0.00 H new ATOM 0 HA THR A 23 -2.541 22.944 -15.557 1.00 0.00 H new ATOM 0 HB THR A 23 -3.318 23.185 -12.989 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.551 21.265 -12.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.676 23.006 -13.726 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.680 23.818 -14.958 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.155 22.117 -15.178 1.00 0.00 H new ATOM 394 N ASN A 24 -0.488 23.588 -14.344 1.00 0.00 N ATOM 395 CA ASN A 24 0.837 23.874 -13.726 1.00 0.00 C ATOM 396 C ASN A 24 1.120 25.380 -13.746 1.00 0.00 C ATOM 397 O ASN A 24 1.507 25.961 -12.751 1.00 0.00 O ATOM 398 CB ASN A 24 1.845 23.128 -14.601 1.00 0.00 C ATOM 399 CG ASN A 24 3.126 22.876 -13.805 1.00 0.00 C ATOM 400 OD1 ASN A 24 3.636 23.767 -13.154 1.00 0.00 O ATOM 401 ND2 ASN A 24 3.672 21.691 -13.829 1.00 0.00 N ATOM 0 H ASN A 24 -0.838 24.309 -14.975 1.00 0.00 H new ATOM 0 HA ASN A 24 0.884 23.558 -12.684 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.421 22.182 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.068 23.711 -15.494 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.527 21.512 -13.302 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.244 20.943 -14.375 1.00 0.00 H new ATOM 630 N TYR B 10 -0.701 -14.164 -13.102 1.00 0.00 N ATOM 631 CA TYR B 10 -2.046 -14.115 -12.461 1.00 0.00 C ATOM 632 C TYR B 10 -3.107 -13.685 -13.479 1.00 0.00 C ATOM 633 O TYR B 10 -3.734 -14.505 -14.120 1.00 0.00 O ATOM 634 CB TYR B 10 -1.917 -13.072 -11.349 1.00 0.00 C ATOM 635 CG TYR B 10 -1.402 -13.736 -10.095 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.178 -14.705 -9.446 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.148 -13.382 -9.579 1.00 0.00 C ATOM 638 CE1 TYR B 10 -1.701 -15.322 -8.283 1.00 0.00 C ATOM 639 CE2 TYR B 10 0.330 -13.998 -8.415 1.00 0.00 C ATOM 640 CZ TYR B 10 -0.446 -14.969 -7.766 1.00 0.00 C ATOM 641 OH TYR B 10 0.025 -15.575 -6.620 1.00 0.00 O ATOM 0 HA TYR B 10 -2.354 -15.087 -12.076 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -1.238 -12.277 -11.658 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.884 -12.608 -11.157 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.145 -14.976 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR B 10 0.450 -12.634 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.300 -16.070 -7.784 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.296 -13.725 -8.017 1.00 0.00 H new ATOM 0 HH TYR B 10 0.910 -15.216 -6.400 1.00 0.00 H new ATOM 651 N ASP B 11 -3.313 -12.405 -13.634 1.00 0.00 N ATOM 652 CA ASP B 11 -4.335 -11.929 -14.611 1.00 0.00 C ATOM 653 C ASP B 11 -4.223 -10.414 -14.806 1.00 0.00 C ATOM 654 O ASP B 11 -3.735 -9.701 -13.951 1.00 0.00 O ATOM 655 CB ASP B 11 -5.681 -12.288 -13.981 1.00 0.00 C ATOM 656 CG ASP B 11 -6.793 -12.107 -15.015 1.00 0.00 C ATOM 657 OD1 ASP B 11 -6.478 -11.748 -16.138 1.00 0.00 O ATOM 658 OD2 ASP B 11 -7.941 -12.329 -14.668 1.00 0.00 O ATOM 0 H ASP B 11 -2.819 -11.670 -13.128 1.00 0.00 H new ATOM 0 HA ASP B 11 -4.207 -12.384 -15.593 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -5.665 -13.318 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -5.869 -11.655 -13.114 1.00 0.00 H new ATOM 663 N LEU B 12 -4.672 -9.919 -15.928 1.00 0.00 N ATOM 664 CA LEU B 12 -4.594 -8.454 -16.185 1.00 0.00 C ATOM 665 C LEU B 12 -5.640 -7.709 -15.349 1.00 0.00 C ATOM 666 O LEU B 12 -6.524 -7.065 -15.876 1.00 0.00 O ATOM 667 CB LEU B 12 -4.893 -8.302 -17.677 1.00 0.00 C ATOM 668 CG LEU B 12 -3.940 -7.274 -18.289 1.00 0.00 C ATOM 669 CD1 LEU B 12 -2.520 -7.842 -18.308 1.00 0.00 C ATOM 670 CD2 LEU B 12 -4.382 -6.961 -19.721 1.00 0.00 C ATOM 0 H LEU B 12 -5.090 -10.468 -16.679 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.623 -8.039 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.780 -9.262 -18.180 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.926 -7.986 -17.821 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.958 -6.361 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.841 -7.109 -18.744 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.205 -8.068 -17.289 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.501 -8.754 -18.904 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.704 -6.228 -20.159 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.363 -7.874 -20.316 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.394 -6.557 -19.709 1.00 0.00 H new ATOM 682 N GLY B 13 -5.545 -7.791 -14.050 1.00 0.00 N ATOM 683 CA GLY B 13 -6.536 -7.086 -13.187 1.00 0.00 C ATOM 684 C GLY B 13 -6.056 -5.658 -12.916 1.00 0.00 C ATOM 685 O GLY B 13 -6.836 -4.782 -12.598 1.00 0.00 O ATOM 0 H GLY B 13 -4.826 -8.314 -13.550 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.510 -7.067 -13.676 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -6.662 -7.623 -12.247 1.00 0.00 H new ATOM 689 N LYS B 14 -4.780 -5.417 -13.038 1.00 0.00 N ATOM 690 CA LYS B 14 -4.252 -4.045 -12.786 1.00 0.00 C ATOM 691 C LYS B 14 -4.652 -3.104 -13.926 1.00 0.00 C ATOM 692 O LYS B 14 -5.024 -3.536 -14.999 1.00 0.00 O ATOM 693 CB LYS B 14 -2.733 -4.209 -12.733 1.00 0.00 C ATOM 694 CG LYS B 14 -2.201 -3.619 -11.426 1.00 0.00 C ATOM 695 CD LYS B 14 -2.791 -4.386 -10.240 1.00 0.00 C ATOM 696 CE LYS B 14 -3.193 -3.399 -9.143 1.00 0.00 C ATOM 697 NZ LYS B 14 -4.591 -3.770 -8.786 1.00 0.00 N ATOM 0 H LYS B 14 -4.079 -6.110 -13.301 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.648 -3.613 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.468 -5.264 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.273 -3.708 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -1.113 -3.677 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.465 -2.564 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.659 -4.962 -10.561 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -2.061 -5.098 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.531 -3.476 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.136 -2.370 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -4.938 -3.137 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -5.199 -3.680 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -4.613 -4.752 -8.446 1.00 0.00 H new ATOM 711 N LYS B 15 -4.581 -1.820 -13.701 1.00 0.00 N ATOM 712 CA LYS B 15 -4.958 -0.851 -14.771 1.00 0.00 C ATOM 713 C LYS B 15 -4.262 0.492 -14.540 1.00 0.00 C ATOM 714 O LYS B 15 -4.086 0.916 -13.415 1.00 0.00 O ATOM 715 CB LYS B 15 -6.473 -0.695 -14.645 1.00 0.00 C ATOM 716 CG LYS B 15 -7.171 -1.693 -15.572 1.00 0.00 C ATOM 717 CD LYS B 15 -8.635 -1.285 -15.750 1.00 0.00 C ATOM 718 CE LYS B 15 -9.083 -1.599 -17.179 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.405 -0.274 -17.780 1.00 0.00 N ATOM 0 H LYS B 15 -4.278 -1.400 -12.822 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.662 -1.195 -15.762 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.782 -0.864 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.767 0.323 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.669 -1.719 -16.539 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.110 -2.698 -15.154 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -9.262 -1.819 -15.036 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.754 -0.221 -15.546 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.296 -2.105 -17.738 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.952 -2.257 -17.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.721 -0.406 -18.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.162 0.181 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.557 0.328 -17.767 1.00 0.00 H new ATOM 733 N PRO B 16 -3.891 1.119 -15.622 1.00 0.00 N ATOM 734 CA PRO B 16 -3.208 2.435 -15.548 1.00 0.00 C ATOM 735 C PRO B 16 -4.202 3.533 -15.155 1.00 0.00 C ATOM 736 O PRO B 16 -5.394 3.407 -15.354 1.00 0.00 O ATOM 737 CB PRO B 16 -2.697 2.653 -16.969 1.00 0.00 C ATOM 738 CG PRO B 16 -3.600 1.833 -17.835 1.00 0.00 C ATOM 739 CD PRO B 16 -4.069 0.666 -17.006 1.00 0.00 C ATOM 0 HA PRO B 16 -2.413 2.463 -14.803 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.735 3.707 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.659 2.335 -17.068 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.447 2.426 -18.179 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.072 1.487 -18.723 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.110 0.421 -17.215 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.483 -0.230 -17.211 1.00 0.00 H new ATOM 747 N ILE B 17 -3.717 4.609 -14.603 1.00 0.00 N ATOM 748 CA ILE B 17 -4.615 5.719 -14.202 1.00 0.00 C ATOM 749 C ILE B 17 -3.848 7.039 -14.191 1.00 0.00 C ATOM 750 O ILE B 17 -3.555 7.579 -13.151 1.00 0.00 O ATOM 751 CB ILE B 17 -5.094 5.362 -12.796 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.902 4.940 -11.937 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.099 4.212 -12.872 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.312 4.925 -10.465 1.00 0.00 C ATOM 0 H ILE B 17 -2.727 4.765 -14.412 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.449 5.842 -14.892 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.572 6.233 -12.348 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.555 3.952 -12.239 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.071 5.629 -12.087 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.439 3.959 -11.868 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.952 4.514 -13.479 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.623 3.342 -13.324 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.461 4.624 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.638 5.922 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.130 4.218 -10.322 1.00 0.00 H new ATOM 766 N TYR B 18 -3.520 7.563 -15.341 1.00 0.00 N ATOM 767 CA TYR B 18 -2.768 8.853 -15.388 1.00 0.00 C ATOM 768 C TYR B 18 -3.740 10.036 -15.405 1.00 0.00 C ATOM 769 O TYR B 18 -4.180 10.476 -16.448 1.00 0.00 O ATOM 770 CB TYR B 18 -1.964 8.795 -16.691 1.00 0.00 C ATOM 771 CG TYR B 18 -0.795 9.750 -16.613 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.244 9.515 -15.702 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.747 10.870 -17.454 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.328 10.399 -15.631 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.338 11.754 -17.383 1.00 0.00 C ATOM 776 CZ TYR B 18 1.376 11.518 -16.471 1.00 0.00 C ATOM 777 OH TYR B 18 2.445 12.389 -16.402 1.00 0.00 O ATOM 0 H TYR B 18 -3.739 7.155 -16.250 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.125 8.988 -14.518 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.606 7.780 -16.863 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.603 9.055 -17.535 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.209 8.652 -15.054 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.546 11.052 -18.157 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.127 10.217 -14.928 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.374 12.617 -18.031 1.00 0.00 H new ATOM 0 HH TYR B 18 2.468 12.809 -15.517 1.00 0.00 H new ATOM 787 N LYS B 19 -4.075 10.555 -14.254 1.00 0.00 N ATOM 788 CA LYS B 19 -5.016 11.712 -14.201 1.00 0.00 C ATOM 789 C LYS B 19 -4.785 12.521 -12.921 1.00 0.00 C ATOM 790 O LYS B 19 -5.633 13.277 -12.490 1.00 0.00 O ATOM 791 CB LYS B 19 -6.413 11.090 -14.202 1.00 0.00 C ATOM 792 CG LYS B 19 -7.027 11.223 -15.597 1.00 0.00 C ATOM 793 CD LYS B 19 -8.420 10.594 -15.607 1.00 0.00 C ATOM 794 CE LYS B 19 -8.994 10.650 -17.025 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.291 11.370 -16.886 1.00 0.00 N ATOM 0 H LYS B 19 -3.738 10.228 -13.348 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.878 12.397 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.356 10.040 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -7.045 11.587 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.090 12.274 -15.879 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.390 10.733 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.367 9.560 -15.265 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.075 11.125 -14.916 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.321 11.175 -17.703 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.139 9.649 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.746 11.449 -17.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.913 10.843 -16.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -10.120 12.322 -16.503 1.00 0.00 H new ATOM 809 N LYS B 20 -3.642 12.366 -12.312 1.00 0.00 N ATOM 810 CA LYS B 20 -3.347 13.122 -11.060 1.00 0.00 C ATOM 811 C LYS B 20 -3.301 14.626 -11.343 1.00 0.00 C ATOM 812 O LYS B 20 -3.225 15.053 -12.478 1.00 0.00 O ATOM 813 CB LYS B 20 -1.974 12.621 -10.610 1.00 0.00 C ATOM 814 CG LYS B 20 -1.861 12.728 -9.089 1.00 0.00 C ATOM 815 CD LYS B 20 -0.771 13.738 -8.726 1.00 0.00 C ATOM 816 CE LYS B 20 0.097 13.171 -7.601 1.00 0.00 C ATOM 817 NZ LYS B 20 -0.824 13.038 -6.438 1.00 0.00 N ATOM 0 H LYS B 20 -2.896 11.746 -12.628 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.110 12.967 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.833 11.587 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.188 13.208 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.815 13.039 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.625 11.753 -8.662 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.156 13.955 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.223 14.679 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.525 12.208 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS B 20 0.930 13.835 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.271 13.021 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.479 13.845 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -1.366 12.154 -6.523 1.00 0.00 H new ATOM 831 N ALA B 21 -3.344 15.432 -10.316 1.00 0.00 N ATOM 832 CA ALA B 21 -3.299 16.909 -10.519 1.00 0.00 C ATOM 833 C ALA B 21 -2.797 17.597 -9.246 1.00 0.00 C ATOM 834 O ALA B 21 -3.574 18.124 -8.475 1.00 0.00 O ATOM 835 CB ALA B 21 -4.744 17.313 -10.813 1.00 0.00 C ATOM 0 H ALA B 21 -3.408 15.131 -9.344 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.625 17.197 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.795 18.390 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -5.092 16.795 -11.707 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -5.377 17.043 -9.967 1.00 0.00 H new ATOM 841 N PRO B 22 -1.503 17.560 -9.068 1.00 0.00 N ATOM 842 CA PRO B 22 -0.876 18.180 -7.874 1.00 0.00 C ATOM 843 C PRO B 22 -0.877 19.707 -7.990 1.00 0.00 C ATOM 844 O PRO B 22 -0.527 20.409 -7.064 1.00 0.00 O ATOM 845 CB PRO B 22 0.550 17.637 -7.898 1.00 0.00 C ATOM 846 CG PRO B 22 0.812 17.295 -9.331 1.00 0.00 C ATOM 847 CD PRO B 22 -0.514 16.942 -9.956 1.00 0.00 C ATOM 0 HA PRO B 22 -1.404 17.949 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO B 22 1.261 18.379 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO B 22 0.649 16.760 -7.259 1.00 0.00 H new ATOM 0 HG2 PRO B 22 1.270 18.137 -9.850 1.00 0.00 H new ATOM 0 HG3 PRO B 22 1.507 16.459 -9.406 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -0.592 17.330 -10.971 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -0.652 15.862 -10.016 1.00 0.00 H new ATOM 855 N THR B 23 -1.268 20.224 -9.120 1.00 0.00 N ATOM 856 CA THR B 23 -1.290 21.706 -9.292 1.00 0.00 C ATOM 857 C THR B 23 -2.606 22.144 -9.938 1.00 0.00 C ATOM 858 O THR B 23 -3.098 21.517 -10.855 1.00 0.00 O ATOM 859 CB THR B 23 -0.109 22.015 -10.214 1.00 0.00 C ATOM 860 OG1 THR B 23 0.097 20.923 -11.099 1.00 0.00 O ATOM 861 CG2 THR B 23 1.151 22.239 -9.376 1.00 0.00 C ATOM 0 H THR B 23 -1.573 19.687 -9.932 1.00 0.00 H new ATOM 0 HA THR B 23 -1.213 22.234 -8.341 1.00 0.00 H new ATOM 0 HB THR B 23 -0.324 22.915 -10.790 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.284 21.262 -11.999 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.991 22.459 -10.034 1.00 0.00 H new ATOM 0 HG22 THR B 23 0.992 23.077 -8.697 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.368 21.341 -8.798 1.00 0.00 H new ATOM 869 N ASN B 24 -3.181 23.216 -9.465 1.00 0.00 N ATOM 870 CA ASN B 24 -4.466 23.692 -10.053 1.00 0.00 C ATOM 871 C ASN B 24 -4.672 25.178 -9.750 1.00 0.00 C ATOM 872 O ASN B 24 -4.991 25.959 -10.624 1.00 0.00 O ATOM 873 CB ASN B 24 -5.546 22.852 -9.369 1.00 0.00 C ATOM 874 CG ASN B 24 -6.805 22.832 -10.237 1.00 0.00 C ATOM 875 OD1 ASN B 24 -7.242 23.858 -10.718 1.00 0.00 O ATOM 876 ND2 ASN B 24 -7.411 21.697 -10.461 1.00 0.00 N ATOM 0 H ASN B 24 -2.818 23.782 -8.698 1.00 0.00 H new ATOM 0 HA ASN B 24 -4.488 23.585 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -5.185 21.836 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -5.775 23.266 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -8.251 21.673 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -7.045 20.835 -10.057 1.00 0.00 H new