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 -119:sc= 1.05 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 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 -120:sc= 1.11 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 USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -1.059 -14.821 -13.189 1.00 0.00 N ATOM 156 CA TYR A 10 -2.515 -15.058 -12.968 1.00 0.00 C ATOM 157 C TYR A 10 -3.293 -13.754 -13.167 1.00 0.00 C ATOM 158 O TYR A 10 -4.015 -13.590 -14.131 1.00 0.00 O ATOM 159 CB TYR A 10 -2.625 -15.529 -11.518 1.00 0.00 C ATOM 160 CG TYR A 10 -2.570 -17.038 -11.470 1.00 0.00 C ATOM 161 CD1 TYR A 10 -1.332 -17.692 -11.424 1.00 0.00 C ATOM 162 CD2 TYR A 10 -3.756 -17.783 -11.472 1.00 0.00 C ATOM 163 CE1 TYR A 10 -1.280 -19.091 -11.379 1.00 0.00 C ATOM 164 CE2 TYR A 10 -3.704 -19.182 -11.426 1.00 0.00 C ATOM 165 CZ TYR A 10 -2.467 -19.837 -11.379 1.00 0.00 C ATOM 166 OH TYR A 10 -2.416 -21.215 -11.334 1.00 0.00 O ATOM 0 HA TYR A 10 -2.927 -15.788 -13.665 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.814 -15.106 -10.925 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.558 -15.175 -11.080 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.418 -17.117 -11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.710 -17.279 -11.509 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.325 -19.595 -11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.619 -19.756 -11.427 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.327 -21.576 -11.340 1.00 0.00 H new ATOM 176 N ASP A 11 -3.147 -12.826 -12.262 1.00 0.00 N ATOM 177 CA ASP A 11 -3.874 -11.532 -12.395 1.00 0.00 C ATOM 178 C ASP A 11 -2.875 -10.372 -12.430 1.00 0.00 C ATOM 179 O ASP A 11 -2.669 -9.687 -11.447 1.00 0.00 O ATOM 180 CB ASP A 11 -4.757 -11.443 -11.150 1.00 0.00 C ATOM 181 CG ASP A 11 -5.987 -12.334 -11.332 1.00 0.00 C ATOM 182 OD1 ASP A 11 -5.840 -13.405 -11.897 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.055 -11.930 -10.904 1.00 0.00 O ATOM 0 H ASP A 11 -2.555 -12.908 -11.435 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.460 -11.477 -13.312 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.195 -11.756 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.064 -10.411 -10.982 1.00 0.00 H new ATOM 188 N LEU A 12 -2.251 -10.147 -13.554 1.00 0.00 N ATOM 189 CA LEU A 12 -1.267 -9.035 -13.651 1.00 0.00 C ATOM 190 C LEU A 12 -0.957 -8.729 -15.119 1.00 0.00 C ATOM 191 O LEU A 12 -0.606 -9.606 -15.885 1.00 0.00 O ATOM 192 CB LEU A 12 -0.020 -9.550 -12.933 1.00 0.00 C ATOM 193 CG LEU A 12 0.844 -8.368 -12.491 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.351 -7.617 -13.724 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.010 -7.421 -11.626 1.00 0.00 C ATOM 0 H LEU A 12 -2.381 -10.687 -14.410 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.640 -8.111 -13.208 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.307 -10.147 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.550 -10.202 -13.595 1.00 0.00 H new ATOM 0 HG LEU A 12 1.693 -8.735 -11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.967 -6.775 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.946 -8.290 -14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.502 -7.250 -14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.626 -6.579 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.839 -7.054 -12.203 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.352 -7.955 -10.747 1.00 0.00 H new ATOM 207 N GLY A 13 -1.083 -7.494 -15.517 1.00 0.00 N ATOM 208 CA GLY A 13 -0.796 -7.135 -16.935 1.00 0.00 C ATOM 209 C GLY A 13 -0.450 -5.647 -17.028 1.00 0.00 C ATOM 210 O GLY A 13 0.606 -5.274 -17.498 1.00 0.00 O ATOM 0 H GLY A 13 -1.372 -6.717 -14.922 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.032 -7.735 -17.312 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.661 -7.357 -17.559 1.00 0.00 H new ATOM 214 N LYS A 14 -1.331 -4.793 -16.583 1.00 0.00 N ATOM 215 CA LYS A 14 -1.050 -3.330 -16.647 1.00 0.00 C ATOM 216 C LYS A 14 -0.864 -2.763 -15.237 1.00 0.00 C ATOM 217 O LYS A 14 -1.212 -3.387 -14.255 1.00 0.00 O ATOM 218 CB LYS A 14 -2.284 -2.718 -17.313 1.00 0.00 C ATOM 219 CG LYS A 14 -2.230 -2.973 -18.821 1.00 0.00 C ATOM 220 CD LYS A 14 -3.585 -2.634 -19.444 1.00 0.00 C ATOM 221 CE LYS A 14 -3.372 -1.979 -20.811 1.00 0.00 C ATOM 222 NZ LYS A 14 -4.629 -2.246 -21.565 1.00 0.00 N ATOM 0 H LYS A 14 -2.233 -5.045 -16.178 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.137 -3.110 -17.200 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.191 -3.153 -16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.323 -1.647 -17.116 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.447 -2.366 -19.275 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.979 -4.016 -19.016 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.183 -3.539 -19.552 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.139 -1.961 -18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.191 -0.909 -20.712 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.507 -2.403 -21.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.560 -1.827 -22.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.772 -3.273 -21.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.434 -1.825 -21.059 1.00 0.00 H new ATOM 236 N LYS A 15 -0.319 -1.582 -15.131 1.00 0.00 N ATOM 237 CA LYS A 15 -0.110 -0.972 -13.786 1.00 0.00 C ATOM 238 C LYS A 15 -0.696 0.442 -13.750 1.00 0.00 C ATOM 239 O LYS A 15 -0.864 1.070 -14.777 1.00 0.00 O ATOM 240 CB LYS A 15 1.407 -0.928 -13.602 1.00 0.00 C ATOM 241 CG LYS A 15 1.825 -1.943 -12.537 1.00 0.00 C ATOM 242 CD LYS A 15 3.345 -2.108 -12.557 1.00 0.00 C ATOM 243 CE LYS A 15 3.706 -3.456 -13.184 1.00 0.00 C ATOM 244 NZ LYS A 15 5.108 -3.296 -13.661 1.00 0.00 N ATOM 0 H LYS A 15 -0.009 -1.012 -15.918 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.600 -1.539 -12.995 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.904 -1.151 -14.546 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.719 0.074 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.498 -1.608 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.342 -2.902 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.802 -1.297 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.741 -2.049 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.626 -4.264 -12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.035 -3.701 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.427 -4.181 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.152 -2.525 -14.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.725 -3.070 -12.855 1.00 0.00 H new ATOM 258 N PRO A 16 -0.984 0.896 -12.561 1.00 0.00 N ATOM 259 CA PRO A 16 -1.557 2.253 -12.381 1.00 0.00 C ATOM 260 C PRO A 16 -0.482 3.320 -12.609 1.00 0.00 C ATOM 261 O PRO A 16 0.700 3.051 -12.524 1.00 0.00 O ATOM 262 CB PRO A 16 -2.022 2.256 -10.928 1.00 0.00 C ATOM 263 CG PRO A 16 -1.174 1.228 -10.248 1.00 0.00 C ATOM 264 CD PRO A 16 -0.809 0.196 -11.285 1.00 0.00 C ATOM 0 HA PRO A 16 -2.362 2.475 -13.082 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.892 3.238 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.081 2.008 -10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.278 1.685 -9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.715 0.768 -9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.216 -0.152 -11.158 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.453 -0.681 -11.219 1.00 0.00 H new ATOM 272 N ILE A 17 -0.882 4.529 -12.895 1.00 0.00 N ATOM 273 CA ILE A 17 0.110 5.608 -13.123 1.00 0.00 C ATOM 274 C ILE A 17 -0.533 6.974 -12.890 1.00 0.00 C ATOM 275 O ILE A 17 -0.653 7.776 -13.790 1.00 0.00 O ATOM 276 CB ILE A 17 0.546 5.452 -14.578 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.681 5.234 -15.464 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.482 4.249 -14.704 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.272 5.331 -16.935 1.00 0.00 C ATOM 0 H ILE A 17 -1.858 4.813 -12.980 1.00 0.00 H new ATOM 0 HA ILE A 17 0.958 5.540 -12.441 1.00 0.00 H new ATOM 0 HB ILE A 17 1.066 6.356 -14.896 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.120 4.257 -15.261 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.443 5.979 -15.238 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.793 4.137 -15.743 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.360 4.404 -14.077 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.961 3.347 -14.383 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.147 5.176 -17.567 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.147 6.318 -17.132 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.475 4.569 -17.156 1.00 0.00 H new ATOM 291 N TYR A 18 -0.945 7.244 -11.683 1.00 0.00 N ATOM 292 CA TYR A 18 -1.580 8.560 -11.391 1.00 0.00 C ATOM 293 C TYR A 18 -0.505 9.636 -11.213 1.00 0.00 C ATOM 294 O TYR A 18 0.052 9.796 -10.145 1.00 0.00 O ATOM 295 CB TYR A 18 -2.339 8.347 -10.079 1.00 0.00 C ATOM 296 CG TYR A 18 -3.688 9.019 -10.158 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.755 8.365 -10.782 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.872 10.294 -9.606 1.00 0.00 C ATOM 299 CE1 TYR A 18 -6.009 8.983 -10.859 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.127 10.913 -9.682 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.195 10.258 -10.308 1.00 0.00 C ATOM 302 OH TYR A 18 -7.430 10.868 -10.384 1.00 0.00 O ATOM 0 H TYR A 18 -0.870 6.611 -10.886 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.235 8.891 -12.197 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.463 7.281 -9.888 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.767 8.755 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.612 7.382 -11.205 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.048 10.799 -9.123 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.832 8.478 -11.342 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.271 11.896 -9.258 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.351 11.705 -10.887 1.00 0.00 H new ATOM 312 N LYS A 19 -0.207 10.375 -12.246 1.00 0.00 N ATOM 313 CA LYS A 19 0.834 11.436 -12.122 1.00 0.00 C ATOM 314 C LYS A 19 0.851 12.322 -13.370 1.00 0.00 C ATOM 315 O LYS A 19 1.789 12.302 -14.144 1.00 0.00 O ATOM 316 CB LYS A 19 2.155 10.680 -11.984 1.00 0.00 C ATOM 317 CG LYS A 19 3.193 11.581 -11.312 1.00 0.00 C ATOM 318 CD LYS A 19 4.429 10.756 -10.952 1.00 0.00 C ATOM 319 CE LYS A 19 5.082 11.335 -9.694 1.00 0.00 C ATOM 320 NZ LYS A 19 6.381 10.617 -9.570 1.00 0.00 N ATOM 0 H LYS A 19 -0.637 10.291 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 19 0.648 12.094 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.008 9.775 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.511 10.367 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.469 12.397 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.771 12.033 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.149 9.716 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.138 10.764 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.233 12.411 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.457 11.175 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.888 10.960 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.206 9.596 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.957 10.793 -10.418 1.00 0.00 H new ATOM 334 N LYS A 20 -0.176 13.102 -13.571 1.00 0.00 N ATOM 335 CA LYS A 20 -0.214 13.992 -14.768 1.00 0.00 C ATOM 336 C LYS A 20 0.878 15.060 -14.665 1.00 0.00 C ATOM 337 O LYS A 20 1.751 14.991 -13.823 1.00 0.00 O ATOM 338 CB LYS A 20 -1.598 14.641 -14.740 1.00 0.00 C ATOM 339 CG LYS A 20 -2.471 14.029 -15.839 1.00 0.00 C ATOM 340 CD LYS A 20 -2.131 14.677 -17.183 1.00 0.00 C ATOM 341 CE LYS A 20 -3.406 14.821 -18.017 1.00 0.00 C ATOM 342 NZ LYS A 20 -3.087 14.173 -19.321 1.00 0.00 N ATOM 0 H LYS A 20 -0.990 13.162 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.040 13.444 -15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.062 14.490 -13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.510 15.717 -14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.307 12.953 -15.891 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.525 14.180 -15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.676 15.655 -17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.401 14.069 -17.717 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.253 14.336 -17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.674 15.869 -18.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.914 14.231 -19.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.282 14.660 -19.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.843 13.175 -19.162 1.00 0.00 H new ATOM 356 N ALA A 21 0.836 16.048 -15.517 1.00 0.00 N ATOM 357 CA ALA A 21 1.871 17.121 -15.468 1.00 0.00 C ATOM 358 C ALA A 21 1.643 18.021 -14.249 1.00 0.00 C ATOM 359 O ALA A 21 0.523 18.205 -13.814 1.00 0.00 O ATOM 360 CB ALA A 21 1.684 17.913 -16.762 1.00 0.00 C ATOM 0 H ALA A 21 0.130 16.159 -16.245 1.00 0.00 H new ATOM 0 HA ALA A 21 2.880 16.717 -15.380 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.412 18.724 -16.801 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.830 17.253 -17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.677 18.328 -16.792 1.00 0.00 H new ATOM 366 N PRO A 22 2.721 18.550 -13.739 1.00 0.00 N ATOM 367 CA PRO A 22 2.648 19.443 -12.556 1.00 0.00 C ATOM 368 C PRO A 22 2.063 20.804 -12.947 1.00 0.00 C ATOM 369 O PRO A 22 2.512 21.437 -13.882 1.00 0.00 O ATOM 370 CB PRO A 22 4.105 19.582 -12.124 1.00 0.00 C ATOM 371 CG PRO A 22 4.903 19.316 -13.360 1.00 0.00 C ATOM 372 CD PRO A 22 4.097 18.370 -14.213 1.00 0.00 C ATOM 0 HA PRO A 22 2.008 19.054 -11.764 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.307 20.579 -11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.352 18.872 -11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.103 20.244 -13.897 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.869 18.879 -13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.189 18.611 -15.272 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.430 17.339 -14.090 1.00 0.00 H new ATOM 380 N THR A 23 1.066 21.257 -12.237 1.00 0.00 N ATOM 381 CA THR A 23 0.455 22.577 -12.567 1.00 0.00 C ATOM 382 C THR A 23 -0.055 22.578 -14.011 1.00 0.00 C ATOM 383 O THR A 23 0.649 22.950 -14.929 1.00 0.00 O ATOM 384 CB THR A 23 1.589 23.592 -12.397 1.00 0.00 C ATOM 385 OG1 THR A 23 2.328 23.280 -11.225 1.00 0.00 O ATOM 386 CG2 THR A 23 1.003 24.999 -12.275 1.00 0.00 C ATOM 0 H THR A 23 0.648 20.771 -11.443 1.00 0.00 H new ATOM 0 HA THR A 23 -0.398 22.808 -11.929 1.00 0.00 H new ATOM 0 HB THR A 23 2.248 23.551 -13.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.056 23.927 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.811 25.720 -12.154 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.436 25.236 -13.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.343 25.045 -11.409 1.00 0.00 H new ATOM 394 N ASN A 24 -1.275 22.162 -14.218 1.00 0.00 N ATOM 395 CA ASN A 24 -1.830 22.137 -15.602 1.00 0.00 C ATOM 396 C ASN A 24 -1.786 23.539 -16.219 1.00 0.00 C ATOM 397 O ASN A 24 -1.782 23.696 -17.424 1.00 0.00 O ATOM 398 CB ASN A 24 -3.277 21.669 -15.440 1.00 0.00 C ATOM 399 CG ASN A 24 -3.942 21.580 -16.815 1.00 0.00 C ATOM 400 OD1 ASN A 24 -3.569 20.761 -17.631 1.00 0.00 O ATOM 401 ND2 ASN A 24 -4.920 22.394 -17.107 1.00 0.00 N ATOM 0 H ASN A 24 -1.911 21.839 -13.489 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.260 21.483 -16.262 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.303 20.697 -14.948 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.826 22.363 -14.803 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.371 22.342 -18.020 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.233 23.082 -16.422 1.00 0.00 H new ATOM 630 N TYR B 10 -4.645 -14.258 -18.061 1.00 0.00 N ATOM 631 CA TYR B 10 -3.205 -14.525 -18.343 1.00 0.00 C ATOM 632 C TYR B 10 -2.356 -13.328 -17.908 1.00 0.00 C ATOM 633 O TYR B 10 -1.620 -13.393 -16.943 1.00 0.00 O ATOM 634 CB TYR B 10 -3.128 -14.712 -19.859 1.00 0.00 C ATOM 635 CG TYR B 10 -3.266 -16.177 -20.196 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.538 -16.743 -20.352 1.00 0.00 C ATOM 637 CD2 TYR B 10 -2.122 -16.970 -20.356 1.00 0.00 C ATOM 638 CE1 TYR B 10 -4.667 -18.103 -20.667 1.00 0.00 C ATOM 639 CE2 TYR B 10 -2.250 -18.330 -20.672 1.00 0.00 C ATOM 640 CZ TYR B 10 -3.522 -18.895 -20.828 1.00 0.00 C ATOM 641 OH TYR B 10 -3.648 -20.234 -21.138 1.00 0.00 O ATOM 0 HA TYR B 10 -2.831 -15.396 -17.805 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -3.918 -14.140 -20.347 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.179 -14.330 -20.235 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.420 -16.131 -20.230 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -1.141 -16.534 -20.236 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.648 -18.540 -20.785 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -1.368 -18.941 -20.795 1.00 0.00 H new ATOM 0 HH TYR B 10 -2.758 -20.637 -21.215 1.00 0.00 H new ATOM 651 N ASP B 11 -2.454 -12.234 -18.613 1.00 0.00 N ATOM 652 CA ASP B 11 -1.656 -11.031 -18.241 1.00 0.00 C ATOM 653 C ASP B 11 -2.587 -9.848 -17.968 1.00 0.00 C ATOM 654 O ASP B 11 -2.756 -8.973 -18.795 1.00 0.00 O ATOM 655 CB ASP B 11 -0.773 -10.750 -19.458 1.00 0.00 C ATOM 656 CG ASP B 11 0.408 -11.724 -19.468 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.204 -12.874 -19.119 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.495 -11.300 -19.825 1.00 0.00 O ATOM 0 H ASP B 11 -3.053 -12.121 -19.431 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.066 -11.187 -17.338 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.354 -10.857 -20.374 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.410 -9.723 -19.428 1.00 0.00 H new ATOM 663 N LEU B 12 -3.196 -9.813 -16.814 1.00 0.00 N ATOM 664 CA LEU B 12 -4.117 -8.690 -16.490 1.00 0.00 C ATOM 665 C LEU B 12 -4.404 -8.660 -14.986 1.00 0.00 C ATOM 666 O LEU B 12 -4.800 -9.648 -14.400 1.00 0.00 O ATOM 667 CB LEU B 12 -5.392 -8.990 -17.275 1.00 0.00 C ATOM 668 CG LEU B 12 -6.192 -7.701 -17.464 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.651 -7.178 -16.102 1.00 0.00 C ATOM 670 CD2 LEU B 12 -5.310 -6.649 -18.142 1.00 0.00 C ATOM 0 H LEU B 12 -3.094 -10.515 -16.081 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.696 -7.719 -16.751 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.142 -9.420 -18.245 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.993 -9.729 -16.744 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.063 -7.904 -18.087 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.221 -6.259 -16.238 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.279 -7.926 -15.618 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.781 -6.976 -15.478 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -5.879 -5.729 -18.277 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.439 -6.448 -17.519 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.983 -7.020 -19.114 1.00 0.00 H new ATOM 682 N GLY B 13 -4.207 -7.533 -14.357 1.00 0.00 N ATOM 683 CA GLY B 13 -4.469 -7.443 -12.894 1.00 0.00 C ATOM 684 C GLY B 13 -4.734 -5.986 -12.510 1.00 0.00 C ATOM 685 O GLY B 13 -5.769 -5.656 -11.963 1.00 0.00 O ATOM 0 H GLY B 13 -3.876 -6.672 -14.793 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.327 -8.061 -12.629 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -3.615 -7.827 -12.337 1.00 0.00 H new ATOM 689 N LYS B 14 -3.807 -5.111 -12.790 1.00 0.00 N ATOM 690 CA LYS B 14 -4.007 -3.675 -12.440 1.00 0.00 C ATOM 691 C LYS B 14 -4.168 -2.834 -13.710 1.00 0.00 C ATOM 692 O LYS B 14 -3.858 -3.273 -14.799 1.00 0.00 O ATOM 693 CB LYS B 14 -2.740 -3.272 -11.687 1.00 0.00 C ATOM 694 CG LYS B 14 -2.802 -3.812 -10.257 1.00 0.00 C ATOM 695 CD LYS B 14 -1.428 -3.675 -9.598 1.00 0.00 C ATOM 696 CE LYS B 14 -1.602 -3.287 -8.128 1.00 0.00 C ATOM 697 NZ LYS B 14 -0.360 -3.759 -7.456 1.00 0.00 N ATOM 0 H LYS B 14 -2.920 -5.328 -13.246 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.905 -3.518 -11.842 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.861 -3.665 -12.197 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.642 -2.186 -11.673 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.549 -3.264 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.110 -4.857 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.881 -4.615 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.838 -2.920 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.727 -2.210 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -2.487 -3.757 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.404 -3.529 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.272 -4.789 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.465 -3.290 -7.882 1.00 0.00 H new ATOM 711 N LYS B 15 -4.647 -1.628 -13.576 1.00 0.00 N ATOM 712 CA LYS B 15 -4.826 -0.757 -14.775 1.00 0.00 C ATOM 713 C LYS B 15 -4.162 0.604 -14.543 1.00 0.00 C ATOM 714 O LYS B 15 -3.957 1.010 -13.417 1.00 0.00 O ATOM 715 CB LYS B 15 -6.339 -0.596 -14.924 1.00 0.00 C ATOM 716 CG LYS B 15 -6.816 -1.362 -16.160 1.00 0.00 C ATOM 717 CD LYS B 15 -8.344 -1.446 -16.150 1.00 0.00 C ATOM 718 CE LYS B 15 -8.775 -2.870 -15.792 1.00 0.00 C ATOM 719 NZ LYS B 15 -10.165 -2.732 -15.275 1.00 0.00 N ATOM 0 H LYS B 15 -4.923 -1.207 -12.689 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.371 -1.185 -15.669 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.844 -0.970 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.596 0.459 -15.016 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.475 -0.861 -17.066 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.386 -2.364 -16.169 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.753 -0.739 -15.428 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.740 -1.170 -17.127 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.741 -3.524 -16.663 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.116 -3.305 -15.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.531 -3.668 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.165 -2.110 -14.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.771 -2.322 -16.014 1.00 0.00 H new ATOM 733 N PRO B 16 -3.852 1.263 -15.626 1.00 0.00 N ATOM 734 CA PRO B 16 -3.207 2.598 -15.548 1.00 0.00 C ATOM 735 C PRO B 16 -4.222 3.654 -15.102 1.00 0.00 C ATOM 736 O PRO B 16 -5.417 3.467 -15.216 1.00 0.00 O ATOM 737 CB PRO B 16 -2.749 2.857 -16.979 1.00 0.00 C ATOM 738 CG PRO B 16 -3.656 2.028 -17.833 1.00 0.00 C ATOM 739 CD PRO B 16 -4.070 0.834 -17.011 1.00 0.00 C ATOM 0 HA PRO B 16 -2.389 2.639 -14.829 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.826 3.914 -17.233 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.706 2.571 -17.117 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.528 2.605 -18.141 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.146 1.711 -18.743 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.113 0.570 -17.188 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.473 -0.045 -17.255 1.00 0.00 H new ATOM 747 N ILE B 17 -3.755 4.763 -14.599 1.00 0.00 N ATOM 748 CA ILE B 17 -4.686 5.829 -14.152 1.00 0.00 C ATOM 749 C ILE B 17 -3.969 7.177 -14.123 1.00 0.00 C ATOM 750 O ILE B 17 -3.799 7.778 -13.085 1.00 0.00 O ATOM 751 CB ILE B 17 -5.128 5.412 -12.750 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.912 4.967 -11.936 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.124 4.256 -12.849 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.315 4.794 -10.470 1.00 0.00 C ATOM 0 H ILE B 17 -2.764 4.975 -14.479 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.538 5.943 -14.822 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.602 6.260 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.521 4.029 -12.330 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.115 5.705 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.438 3.960 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.994 4.574 -13.423 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.651 3.409 -13.346 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.449 4.477 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.686 5.742 -10.080 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.098 4.040 -10.395 1.00 0.00 H new ATOM 766 N TYR B 18 -3.549 7.656 -15.259 1.00 0.00 N ATOM 767 CA TYR B 18 -2.842 8.967 -15.298 1.00 0.00 C ATOM 768 C TYR B 18 -3.856 10.114 -15.250 1.00 0.00 C ATOM 769 O TYR B 18 -4.407 10.507 -16.258 1.00 0.00 O ATOM 770 CB TYR B 18 -2.099 8.974 -16.636 1.00 0.00 C ATOM 771 CG TYR B 18 -0.716 9.544 -16.445 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.314 8.727 -15.966 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.462 10.889 -16.746 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.600 9.251 -15.787 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.825 11.414 -16.568 1.00 0.00 C ATOM 776 CZ TYR B 18 1.856 10.596 -16.087 1.00 0.00 C ATOM 777 OH TYR B 18 3.123 11.114 -15.912 1.00 0.00 O ATOM 0 H TYR B 18 -3.664 7.197 -16.163 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.168 9.098 -14.452 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.034 7.961 -17.032 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.650 9.567 -17.366 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.117 7.691 -15.734 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.257 11.520 -17.115 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.394 8.619 -15.418 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.022 12.450 -16.802 1.00 0.00 H new ATOM 0 HH TYR B 18 3.089 11.852 -15.268 1.00 0.00 H new ATOM 787 N LYS B 19 -4.110 10.655 -14.089 1.00 0.00 N ATOM 788 CA LYS B 19 -5.092 11.775 -13.995 1.00 0.00 C ATOM 789 C LYS B 19 -5.057 12.406 -12.600 1.00 0.00 C ATOM 790 O LYS B 19 -5.997 12.301 -11.838 1.00 0.00 O ATOM 791 CB LYS B 19 -6.453 11.128 -14.255 1.00 0.00 C ATOM 792 CG LYS B 19 -7.443 12.195 -14.722 1.00 0.00 C ATOM 793 CD LYS B 19 -8.724 11.522 -15.218 1.00 0.00 C ATOM 794 CE LYS B 19 -9.347 12.367 -16.330 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.685 11.758 -16.573 1.00 0.00 N ATOM 0 H LYS B 19 -3.684 10.373 -13.206 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.873 12.573 -14.705 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.359 10.348 -15.011 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.819 10.649 -13.347 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.672 12.877 -13.903 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -7.001 12.792 -15.520 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.502 10.521 -15.588 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.429 11.408 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -9.437 13.411 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.734 12.347 -17.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -11.175 12.284 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.567 10.767 -16.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -11.248 11.798 -15.700 1.00 0.00 H new ATOM 809 N LYS B 20 -3.983 13.066 -12.261 1.00 0.00 N ATOM 810 CA LYS B 20 -3.895 13.706 -10.916 1.00 0.00 C ATOM 811 C LYS B 20 -4.927 14.829 -10.794 1.00 0.00 C ATOM 812 O LYS B 20 -5.805 14.971 -11.620 1.00 0.00 O ATOM 813 CB LYS B 20 -2.477 14.271 -10.833 1.00 0.00 C ATOM 814 CG LYS B 20 -1.636 13.410 -9.888 1.00 0.00 C ATOM 815 CD LYS B 20 -1.936 13.802 -8.439 1.00 0.00 C ATOM 816 CE LYS B 20 -0.652 13.713 -7.610 1.00 0.00 C ATOM 817 NZ LYS B 20 -1.002 12.841 -6.453 1.00 0.00 N ATOM 0 H LYS B 20 -3.164 13.190 -12.856 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.098 12.999 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -2.024 14.290 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -2.505 15.300 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -1.859 12.355 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -0.576 13.546 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -2.337 14.815 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.697 13.142 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.165 13.288 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.327 14.699 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.171 12.732 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.778 13.275 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -1.301 11.907 -6.800 1.00 0.00 H new ATOM 831 N ALA B 21 -4.827 15.628 -9.767 1.00 0.00 N ATOM 832 CA ALA B 21 -5.801 16.743 -9.592 1.00 0.00 C ATOM 833 C ALA B 21 -5.528 17.849 -10.614 1.00 0.00 C ATOM 834 O ALA B 21 -4.401 18.056 -11.020 1.00 0.00 O ATOM 835 CB ALA B 21 -5.567 17.258 -8.171 1.00 0.00 C ATOM 0 H ALA B 21 -4.113 15.557 -9.042 1.00 0.00 H new ATOM 0 HA ALA B 21 -6.830 16.417 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.249 18.083 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -5.746 16.453 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.538 17.605 -8.075 1.00 0.00 H new ATOM 841 N PRO B 22 -6.576 18.523 -10.996 1.00 0.00 N ATOM 842 CA PRO B 22 -6.459 19.624 -11.985 1.00 0.00 C ATOM 843 C PRO B 22 -5.800 20.850 -11.346 1.00 0.00 C ATOM 844 O PRO B 22 -6.208 21.313 -10.299 1.00 0.00 O ATOM 845 CB PRO B 22 -7.908 19.922 -12.360 1.00 0.00 C ATOM 846 CG PRO B 22 -8.715 19.463 -11.188 1.00 0.00 C ATOM 847 CD PRO B 22 -7.959 18.326 -10.549 1.00 0.00 C ATOM 0 HA PRO B 22 -5.844 19.363 -12.846 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -8.056 20.985 -12.548 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -8.197 19.394 -13.269 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -8.860 20.277 -10.478 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -9.705 19.137 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -8.035 18.357 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -8.348 17.359 -10.868 1.00 0.00 H new ATOM 855 N THR B 23 -4.781 21.380 -11.969 1.00 0.00 N ATOM 856 CA THR B 23 -4.098 22.575 -11.398 1.00 0.00 C ATOM 857 C THR B 23 -3.583 22.267 -9.989 1.00 0.00 C ATOM 858 O THR B 23 -4.261 22.489 -9.006 1.00 0.00 O ATOM 859 CB THR B 23 -5.174 23.662 -11.351 1.00 0.00 C ATOM 860 OG1 THR B 23 -5.932 23.623 -12.552 1.00 0.00 O ATOM 861 CG2 THR B 23 -4.512 25.033 -11.207 1.00 0.00 C ATOM 0 H THR B 23 -4.393 21.037 -12.848 1.00 0.00 H new ATOM 0 HA THR B 23 -3.236 22.881 -11.991 1.00 0.00 H new ATOM 0 HB THR B 23 -5.831 23.489 -10.499 1.00 0.00 H new ATOM 0 HG1 THR B 23 -6.624 24.317 -12.525 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.280 25.806 -11.174 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.929 25.061 -10.286 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.855 25.211 -12.058 1.00 0.00 H new ATOM 869 N ASN B 24 -2.386 21.755 -9.884 1.00 0.00 N ATOM 870 CA ASN B 24 -1.828 21.431 -8.539 1.00 0.00 C ATOM 871 C ASN B 24 -1.791 22.685 -7.661 1.00 0.00 C ATOM 872 O ASN B 24 -1.778 22.604 -6.450 1.00 0.00 O ATOM 873 CB ASN B 24 -0.411 20.925 -8.811 1.00 0.00 C ATOM 874 CG ASN B 24 0.253 20.536 -7.489 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.162 19.595 -6.841 1.00 0.00 O ATOM 876 ND2 ASN B 24 1.276 21.224 -7.058 1.00 0.00 N ATOM 0 H ASN B 24 -1.771 21.547 -10.671 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.431 20.693 -8.010 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.442 20.066 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.173 21.698 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.726 20.972 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.625 22.014 -7.601 1.00 0.00 H new