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 -124:sc= 0.427 USER MOD Single : A 24 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.7) 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 -123:sc= 0.526 USER MOD Single : B 24 ASN : amide:sc= -0.258 K(o=-0.26,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 155 N TYR A 10 -0.152 -14.376 -14.173 1.00 0.00 N ATOM 156 CA TYR A 10 -1.294 -14.801 -13.311 1.00 0.00 C ATOM 157 C TYR A 10 -2.543 -13.983 -13.650 1.00 0.00 C ATOM 158 O TYR A 10 -3.490 -14.488 -14.219 1.00 0.00 O ATOM 159 CB TYR A 10 -0.836 -14.516 -11.880 1.00 0.00 C ATOM 160 CG TYR A 10 -0.224 -15.764 -11.289 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.975 -16.944 -11.211 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.096 -15.742 -10.818 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.407 -18.103 -10.664 1.00 0.00 C ATOM 164 CE2 TYR A 10 1.664 -16.900 -10.271 1.00 0.00 C ATOM 165 CZ TYR A 10 0.913 -18.081 -10.193 1.00 0.00 C ATOM 166 OH TYR A 10 1.473 -19.221 -9.654 1.00 0.00 O ATOM 0 HA TYR A 10 -1.554 -15.850 -13.454 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.109 -13.704 -11.874 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.682 -14.191 -11.274 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.993 -16.961 -11.573 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.675 -14.832 -10.877 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.986 -19.013 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.681 -16.883 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 10 2.394 -19.034 -9.377 1.00 0.00 H new ATOM 176 N ASP A 11 -2.553 -12.724 -13.307 1.00 0.00 N ATOM 177 CA ASP A 11 -3.742 -11.876 -13.612 1.00 0.00 C ATOM 178 C ASP A 11 -3.382 -10.395 -13.473 1.00 0.00 C ATOM 179 O ASP A 11 -4.199 -9.578 -13.102 1.00 0.00 O ATOM 180 CB ASP A 11 -4.790 -12.278 -12.573 1.00 0.00 C ATOM 181 CG ASP A 11 -6.130 -11.625 -12.918 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.465 -11.590 -14.092 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.798 -11.170 -12.005 1.00 0.00 O ATOM 0 H ASP A 11 -1.790 -12.245 -12.829 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.104 -12.019 -14.630 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.897 -13.362 -12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.468 -11.969 -11.578 1.00 0.00 H new ATOM 188 N LEU A 12 -2.158 -10.045 -13.762 1.00 0.00 N ATOM 189 CA LEU A 12 -1.737 -8.626 -13.645 1.00 0.00 C ATOM 190 C LEU A 12 -0.754 -8.268 -14.765 1.00 0.00 C ATOM 191 O LEU A 12 0.046 -9.082 -15.183 1.00 0.00 O ATOM 192 CB LEU A 12 -1.051 -8.546 -12.286 1.00 0.00 C ATOM 193 CG LEU A 12 0.277 -9.306 -12.343 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.417 -8.329 -12.638 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.529 -9.991 -10.998 1.00 0.00 C ATOM 0 H LEU A 12 -1.430 -10.687 -14.076 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.574 -7.932 -13.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.876 -7.505 -12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.694 -8.972 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 12 0.231 -10.056 -13.132 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.361 -8.873 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.239 -7.840 -13.596 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.465 -7.577 -11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.474 -10.533 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.574 -9.240 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.281 -10.690 -10.788 1.00 0.00 H new ATOM 207 N GLY A 13 -0.804 -7.059 -15.254 1.00 0.00 N ATOM 208 CA GLY A 13 0.131 -6.656 -16.344 1.00 0.00 C ATOM 209 C GLY A 13 0.286 -5.134 -16.354 1.00 0.00 C ATOM 210 O GLY A 13 1.383 -4.612 -16.337 1.00 0.00 O ATOM 0 H GLY A 13 -1.451 -6.333 -14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.102 -7.129 -16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.248 -6.999 -17.307 1.00 0.00 H new ATOM 214 N LYS A 14 -0.804 -4.416 -16.383 1.00 0.00 N ATOM 215 CA LYS A 14 -0.715 -2.926 -16.399 1.00 0.00 C ATOM 216 C LYS A 14 -0.697 -2.378 -14.968 1.00 0.00 C ATOM 217 O LYS A 14 -1.244 -2.970 -14.059 1.00 0.00 O ATOM 218 CB LYS A 14 -1.969 -2.463 -17.137 1.00 0.00 C ATOM 219 CG LYS A 14 -1.578 -1.919 -18.511 1.00 0.00 C ATOM 220 CD LYS A 14 -1.315 -3.086 -19.466 1.00 0.00 C ATOM 221 CE LYS A 14 -2.108 -2.878 -20.757 1.00 0.00 C ATOM 222 NZ LYS A 14 -1.079 -2.765 -21.827 1.00 0.00 N ATOM 0 H LYS A 14 -1.751 -4.795 -16.396 1.00 0.00 H new ATOM 0 HA LYS A 14 0.196 -2.572 -16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.667 -3.293 -17.247 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.480 -1.692 -16.560 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.374 -1.286 -18.903 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.688 -1.296 -18.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.250 -3.155 -19.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.604 -4.026 -18.997 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.783 -3.713 -20.945 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.722 -1.979 -20.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.547 -2.621 -22.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.456 -1.957 -21.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.515 -3.638 -21.860 1.00 0.00 H new ATOM 236 N LYS A 15 -0.072 -1.249 -14.763 1.00 0.00 N ATOM 237 CA LYS A 15 -0.018 -0.664 -13.392 1.00 0.00 C ATOM 238 C LYS A 15 -0.656 0.728 -13.375 1.00 0.00 C ATOM 239 O LYS A 15 -0.632 1.437 -14.361 1.00 0.00 O ATOM 240 CB LYS A 15 1.471 -0.571 -13.059 1.00 0.00 C ATOM 241 CG LYS A 15 2.059 -1.978 -12.946 1.00 0.00 C ATOM 242 CD LYS A 15 3.572 -1.883 -12.743 1.00 0.00 C ATOM 243 CE LYS A 15 3.976 -2.709 -11.520 1.00 0.00 C ATOM 244 NZ LYS A 15 5.465 -2.673 -11.508 1.00 0.00 N ATOM 0 H LYS A 15 0.403 -0.707 -15.485 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.564 -1.269 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.993 -0.009 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.612 -0.031 -12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.602 -2.509 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.837 -2.550 -13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.092 -2.247 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.867 -0.843 -12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.563 -2.286 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.606 -3.732 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.819 -3.219 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.829 -3.088 -12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.788 -1.687 -11.430 1.00 0.00 H new ATOM 258 N PRO A 16 -1.205 1.066 -12.242 1.00 0.00 N ATOM 259 CA PRO A 16 -1.863 2.386 -12.070 1.00 0.00 C ATOM 260 C PRO A 16 -0.816 3.500 -11.943 1.00 0.00 C ATOM 261 O PRO A 16 -0.042 3.532 -11.006 1.00 0.00 O ATOM 262 CB PRO A 16 -2.636 2.228 -10.763 1.00 0.00 C ATOM 263 CG PRO A 16 -1.912 1.160 -10.008 1.00 0.00 C ATOM 264 CD PRO A 16 -1.267 0.254 -11.024 1.00 0.00 C ATOM 0 HA PRO A 16 -2.498 2.659 -12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.657 3.162 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.672 1.945 -10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.161 1.596 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.602 0.600 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.274 -0.060 -10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.853 -0.652 -11.179 1.00 0.00 H new ATOM 272 N ILE A 17 -0.788 4.416 -12.873 1.00 0.00 N ATOM 273 CA ILE A 17 0.203 5.525 -12.797 1.00 0.00 C ATOM 274 C ILE A 17 -0.513 6.865 -12.611 1.00 0.00 C ATOM 275 O ILE A 17 -0.373 7.767 -13.410 1.00 0.00 O ATOM 276 CB ILE A 17 0.949 5.502 -14.132 1.00 0.00 C ATOM 277 CG1 ILE A 17 1.260 4.056 -14.522 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.256 6.284 -13.996 1.00 0.00 C ATOM 279 CD1 ILE A 17 0.453 3.683 -15.765 1.00 0.00 C ATOM 0 H ILE A 17 -1.409 4.443 -13.682 1.00 0.00 H new ATOM 0 HA ILE A 17 0.882 5.403 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 17 0.327 5.959 -14.902 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.326 3.942 -14.719 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.014 3.384 -13.700 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.790 6.269 -14.946 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.036 7.315 -13.720 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.875 5.826 -13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.672 2.653 -16.046 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.611 3.782 -15.551 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.721 4.348 -16.586 1.00 0.00 H new ATOM 291 N TYR A 18 -1.279 7.000 -11.564 1.00 0.00 N ATOM 292 CA TYR A 18 -2.003 8.283 -11.330 1.00 0.00 C ATOM 293 C TYR A 18 -1.011 9.391 -10.964 1.00 0.00 C ATOM 294 O TYR A 18 -0.599 9.514 -9.828 1.00 0.00 O ATOM 295 CB TYR A 18 -2.937 7.995 -10.153 1.00 0.00 C ATOM 296 CG TYR A 18 -4.362 8.298 -10.546 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.646 9.404 -11.358 1.00 0.00 C ATOM 298 CD2 TYR A 18 -5.402 7.473 -10.098 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.970 9.685 -11.722 1.00 0.00 C ATOM 300 CE2 TYR A 18 -6.726 7.754 -10.461 1.00 0.00 C ATOM 301 CZ TYR A 18 -7.009 8.859 -11.273 1.00 0.00 C ATOM 302 OH TYR A 18 -8.313 9.136 -11.631 1.00 0.00 O ATOM 0 H TYR A 18 -1.435 6.278 -10.860 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.545 8.620 -12.213 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.847 6.951 -9.852 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.651 8.600 -9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.845 10.040 -11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.183 6.620 -9.473 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.189 10.537 -12.348 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.528 7.119 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.910 8.466 -11.237 1.00 0.00 H new ATOM 312 N LYS A 19 -0.618 10.195 -11.916 1.00 0.00 N ATOM 313 CA LYS A 19 0.353 11.286 -11.608 1.00 0.00 C ATOM 314 C LYS A 19 0.475 12.260 -12.787 1.00 0.00 C ATOM 315 O LYS A 19 1.467 12.947 -12.932 1.00 0.00 O ATOM 316 CB LYS A 19 1.681 10.568 -11.371 1.00 0.00 C ATOM 317 CG LYS A 19 2.289 11.041 -10.049 1.00 0.00 C ATOM 318 CD LYS A 19 3.735 11.481 -10.286 1.00 0.00 C ATOM 319 CE LYS A 19 4.379 11.867 -8.953 1.00 0.00 C ATOM 320 NZ LYS A 19 5.384 12.908 -9.302 1.00 0.00 N ATOM 0 H LYS A 19 -0.925 10.145 -12.887 1.00 0.00 H new ATOM 0 HA LYS A 19 0.041 11.879 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.524 9.490 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.368 10.771 -12.193 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.707 11.868 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.257 10.238 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.299 10.674 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.760 12.327 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.638 12.252 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.850 11.007 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.870 13.225 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.080 12.510 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.906 13.717 -9.747 1.00 0.00 H new ATOM 334 N LYS A 20 -0.521 12.329 -13.628 1.00 0.00 N ATOM 335 CA LYS A 20 -0.451 13.261 -14.790 1.00 0.00 C ATOM 336 C LYS A 20 -1.708 14.134 -14.846 1.00 0.00 C ATOM 337 O LYS A 20 -2.774 13.730 -14.426 1.00 0.00 O ATOM 338 CB LYS A 20 -0.370 12.357 -16.019 1.00 0.00 C ATOM 339 CG LYS A 20 -0.495 13.206 -17.286 1.00 0.00 C ATOM 340 CD LYS A 20 0.337 12.579 -18.405 1.00 0.00 C ATOM 341 CE LYS A 20 -0.098 13.158 -19.753 1.00 0.00 C ATOM 342 NZ LYS A 20 0.131 12.062 -20.735 1.00 0.00 N ATOM 0 H LYS A 20 -1.379 11.781 -13.561 1.00 0.00 H new ATOM 0 HA LYS A 20 0.401 13.937 -14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.576 11.815 -16.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.164 11.611 -15.988 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.540 13.274 -17.589 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.153 14.222 -17.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.396 12.775 -18.238 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.209 11.497 -18.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.146 13.458 -19.734 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.483 14.044 -20.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.144 12.384 -21.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.138 11.802 -20.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.440 11.234 -20.471 1.00 0.00 H new ATOM 356 N ALA A 21 -1.591 15.328 -15.363 1.00 0.00 N ATOM 357 CA ALA A 21 -2.781 16.224 -15.447 1.00 0.00 C ATOM 358 C ALA A 21 -2.522 17.354 -16.448 1.00 0.00 C ATOM 359 O ALA A 21 -1.424 17.864 -16.540 1.00 0.00 O ATOM 360 CB ALA A 21 -2.955 16.787 -14.036 1.00 0.00 C ATOM 0 H ALA A 21 -0.724 15.721 -15.730 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.672 15.696 -15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.814 17.458 -14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.118 15.968 -13.335 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.058 17.337 -13.750 1.00 0.00 H new ATOM 366 N PRO A 22 -3.553 17.703 -17.170 1.00 0.00 N ATOM 367 CA PRO A 22 -3.445 18.781 -18.182 1.00 0.00 C ATOM 368 C PRO A 22 -3.386 20.154 -17.505 1.00 0.00 C ATOM 369 O PRO A 22 -3.132 21.159 -18.138 1.00 0.00 O ATOM 370 CB PRO A 22 -4.725 18.633 -18.999 1.00 0.00 C ATOM 371 CG PRO A 22 -5.699 17.965 -18.082 1.00 0.00 C ATOM 372 CD PRO A 22 -4.901 17.130 -17.112 1.00 0.00 C ATOM 0 HA PRO A 22 -2.543 18.707 -18.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.096 19.603 -19.329 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.554 18.036 -19.895 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.297 18.706 -17.550 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.392 17.341 -18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.314 17.185 -16.105 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.900 16.078 -17.399 1.00 0.00 H new ATOM 380 N THR A 23 -3.619 20.201 -16.224 1.00 0.00 N ATOM 381 CA THR A 23 -3.578 21.509 -15.507 1.00 0.00 C ATOM 382 C THR A 23 -3.782 21.300 -14.004 1.00 0.00 C ATOM 383 O THR A 23 -3.502 20.245 -13.470 1.00 0.00 O ATOM 384 CB THR A 23 -4.732 22.321 -16.096 1.00 0.00 C ATOM 385 OG1 THR A 23 -4.759 23.607 -15.494 1.00 0.00 O ATOM 386 CG2 THR A 23 -6.054 21.601 -15.827 1.00 0.00 C ATOM 0 H THR A 23 -3.836 19.392 -15.641 1.00 0.00 H new ATOM 0 HA THR A 23 -2.620 22.014 -15.628 1.00 0.00 H new ATOM 0 HB THR A 23 -4.591 22.426 -17.172 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.642 23.764 -15.098 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.876 22.181 -16.247 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.032 20.614 -16.290 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.198 21.494 -14.752 1.00 0.00 H new ATOM 394 N ASN A 24 -4.269 22.298 -13.320 1.00 0.00 N ATOM 395 CA ASN A 24 -4.490 22.160 -11.852 1.00 0.00 C ATOM 396 C ASN A 24 -5.986 22.019 -11.553 1.00 0.00 C ATOM 397 O ASN A 24 -6.629 22.946 -11.102 1.00 0.00 O ATOM 398 CB ASN A 24 -3.941 23.452 -11.246 1.00 0.00 C ATOM 399 CG ASN A 24 -3.841 23.302 -9.727 1.00 0.00 C ATOM 400 OD1 ASN A 24 -2.978 22.608 -9.230 1.00 0.00 O ATOM 401 ND2 ASN A 24 -4.695 23.929 -8.965 1.00 0.00 N ATOM 0 H ASN A 24 -4.524 23.204 -13.714 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.000 21.277 -11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.960 23.674 -11.665 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.592 24.289 -11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.638 23.836 -7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.420 24.512 -9.384 1.00 0.00 H new ATOM 630 N TYR B 10 -5.522 -13.976 -17.008 1.00 0.00 N ATOM 631 CA TYR B 10 -4.408 -14.286 -17.952 1.00 0.00 C ATOM 632 C TYR B 10 -3.115 -13.617 -17.477 1.00 0.00 C ATOM 633 O TYR B 10 -2.194 -14.272 -17.031 1.00 0.00 O ATOM 634 CB TYR B 10 -4.852 -13.704 -19.294 1.00 0.00 C ATOM 635 CG TYR B 10 -5.535 -14.775 -20.109 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.850 -15.954 -20.432 1.00 0.00 C ATOM 637 CD2 TYR B 10 -6.854 -14.590 -20.545 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.483 -16.948 -21.190 1.00 0.00 C ATOM 639 CE2 TYR B 10 -7.487 -15.584 -21.302 1.00 0.00 C ATOM 640 CZ TYR B 10 -6.802 -16.762 -21.626 1.00 0.00 C ATOM 641 OH TYR B 10 -7.427 -17.741 -22.372 1.00 0.00 O ATOM 0 HA TYR B 10 -4.207 -15.355 -18.019 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.532 -12.867 -19.132 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -3.990 -13.314 -19.836 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.833 -16.097 -20.096 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.382 -13.681 -20.297 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.955 -17.857 -21.438 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -8.504 -15.442 -21.636 1.00 0.00 H new ATOM 0 HH TYR B 10 -8.338 -17.454 -22.591 1.00 0.00 H new ATOM 651 N ASP B 11 -3.038 -12.317 -17.568 1.00 0.00 N ATOM 652 CA ASP B 11 -1.803 -11.609 -17.121 1.00 0.00 C ATOM 653 C ASP B 11 -2.079 -10.111 -16.961 1.00 0.00 C ATOM 654 O ASP B 11 -1.214 -9.283 -17.171 1.00 0.00 O ATOM 655 CB ASP B 11 -0.784 -11.851 -18.234 1.00 0.00 C ATOM 656 CG ASP B 11 0.590 -11.351 -17.784 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.928 -11.567 -16.633 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.278 -10.759 -18.598 1.00 0.00 O ATOM 0 H ASP B 11 -3.776 -11.714 -17.932 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.447 -11.970 -16.156 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.736 -12.913 -18.473 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.092 -11.333 -19.143 1.00 0.00 H new ATOM 663 N LEU B 12 -3.281 -9.757 -16.597 1.00 0.00 N ATOM 664 CA LEU B 12 -3.623 -8.322 -16.429 1.00 0.00 C ATOM 665 C LEU B 12 -4.581 -8.137 -15.248 1.00 0.00 C ATOM 666 O LEU B 12 -5.422 -8.973 -14.982 1.00 0.00 O ATOM 667 CB LEU B 12 -4.310 -7.944 -17.736 1.00 0.00 C ATOM 668 CG LEU B 12 -5.676 -8.629 -17.809 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.758 -7.671 -17.314 1.00 0.00 C ATOM 670 CD2 LEU B 12 -5.969 -9.024 -19.259 1.00 0.00 C ATOM 0 H LEU B 12 -4.044 -10.407 -16.408 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.749 -7.704 -16.223 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.430 -6.862 -17.797 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.694 -8.245 -18.584 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.669 -9.520 -17.181 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.730 -8.161 -17.367 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.550 -7.389 -16.282 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.767 -6.778 -17.939 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.942 -9.512 -19.314 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.975 -8.132 -19.885 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.199 -9.710 -19.612 1.00 0.00 H new ATOM 682 N GLY B 13 -4.462 -7.048 -14.536 1.00 0.00 N ATOM 683 CA GLY B 13 -5.367 -6.818 -13.374 1.00 0.00 C ATOM 684 C GLY B 13 -5.440 -5.323 -13.061 1.00 0.00 C ATOM 685 O GLY B 13 -6.507 -4.754 -12.948 1.00 0.00 O ATOM 0 H GLY B 13 -3.779 -6.310 -14.709 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -6.363 -7.201 -13.596 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -5.002 -7.364 -12.504 1.00 0.00 H new ATOM 689 N LYS B 14 -4.313 -4.680 -12.917 1.00 0.00 N ATOM 690 CA LYS B 14 -4.322 -3.222 -12.606 1.00 0.00 C ATOM 691 C LYS B 14 -4.313 -2.401 -13.901 1.00 0.00 C ATOM 692 O LYS B 14 -3.806 -2.833 -14.917 1.00 0.00 O ATOM 693 CB LYS B 14 -3.043 -2.982 -11.805 1.00 0.00 C ATOM 694 CG LYS B 14 -3.401 -2.697 -10.345 1.00 0.00 C ATOM 695 CD LYS B 14 -3.725 -4.011 -9.631 1.00 0.00 C ATOM 696 CE LYS B 14 -2.915 -4.102 -8.335 1.00 0.00 C ATOM 697 NZ LYS B 14 -3.932 -4.145 -7.248 1.00 0.00 N ATOM 0 H LYS B 14 -3.388 -5.101 -13.001 1.00 0.00 H new ATOM 0 HA LYS B 14 -5.212 -2.923 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.393 -3.855 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.490 -2.142 -12.226 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.571 -2.196 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -4.256 -2.023 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -4.791 -4.064 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -3.491 -4.856 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.287 -4.993 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -2.253 -3.244 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -3.453 -4.208 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -4.510 -3.281 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -4.544 -4.976 -7.378 1.00 0.00 H new ATOM 711 N LYS B 15 -4.874 -1.222 -13.872 1.00 0.00 N ATOM 712 CA LYS B 15 -4.902 -0.377 -15.102 1.00 0.00 C ATOM 713 C LYS B 15 -4.189 0.956 -14.855 1.00 0.00 C ATOM 714 O LYS B 15 -4.173 1.461 -13.750 1.00 0.00 O ATOM 715 CB LYS B 15 -6.386 -0.144 -15.387 1.00 0.00 C ATOM 716 CG LYS B 15 -7.048 -1.471 -15.767 1.00 0.00 C ATOM 717 CD LYS B 15 -8.556 -1.264 -15.926 1.00 0.00 C ATOM 718 CE LYS B 15 -9.007 -1.812 -17.280 1.00 0.00 C ATOM 719 NZ LYS B 15 -10.491 -1.692 -17.269 1.00 0.00 N ATOM 0 H LYS B 15 -5.314 -0.807 -13.051 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.393 -0.855 -15.939 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.874 0.279 -14.509 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.503 0.578 -16.196 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.622 -1.849 -16.697 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.852 -2.220 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -9.090 -1.770 -15.121 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.798 -0.204 -15.852 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.571 -1.243 -18.101 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.696 -2.849 -17.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.875 -2.049 -18.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.879 -2.249 -16.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.758 -0.694 -17.151 1.00 0.00 H new ATOM 733 N PRO B 16 -3.622 1.480 -15.907 1.00 0.00 N ATOM 734 CA PRO B 16 -2.892 2.771 -15.826 1.00 0.00 C ATOM 735 C PRO B 16 -3.875 3.942 -15.725 1.00 0.00 C ATOM 736 O PRO B 16 -4.642 4.199 -16.631 1.00 0.00 O ATOM 737 CB PRO B 16 -2.126 2.828 -17.146 1.00 0.00 C ATOM 738 CG PRO B 16 -2.908 1.969 -18.088 1.00 0.00 C ATOM 739 CD PRO B 16 -3.605 0.918 -17.262 1.00 0.00 C ATOM 0 HA PRO B 16 -2.245 2.840 -14.952 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.052 3.851 -17.515 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.108 2.457 -17.027 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -3.633 2.566 -18.641 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -2.249 1.506 -18.823 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -4.614 0.728 -17.627 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.071 -0.032 -17.293 1.00 0.00 H new ATOM 747 N ILE B 17 -3.856 4.657 -14.632 1.00 0.00 N ATOM 748 CA ILE B 17 -4.784 5.809 -14.479 1.00 0.00 C ATOM 749 C ILE B 17 -3.998 7.120 -14.411 1.00 0.00 C ATOM 750 O ILE B 17 -4.095 7.863 -13.456 1.00 0.00 O ATOM 751 CB ILE B 17 -5.528 5.559 -13.167 1.00 0.00 C ATOM 752 CG1 ILE B 17 -5.928 4.085 -13.075 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.786 6.427 -13.123 1.00 0.00 C ATOM 754 CD1 ILE B 17 -5.158 3.420 -11.936 1.00 0.00 C ATOM 0 H ILE B 17 -3.236 4.491 -13.839 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.470 5.895 -15.322 1.00 0.00 H new ATOM 0 HB ILE B 17 -4.878 5.812 -12.330 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.001 3.998 -12.903 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -5.714 3.579 -14.017 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.318 6.250 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.505 7.478 -13.187 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.433 6.172 -13.962 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.442 2.370 -11.869 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.088 3.495 -12.128 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.394 3.920 -10.997 1.00 0.00 H new ATOM 766 N TYR B 18 -3.220 7.410 -15.419 1.00 0.00 N ATOM 767 CA TYR B 18 -2.429 8.676 -15.411 1.00 0.00 C ATOM 768 C TYR B 18 -3.362 9.883 -15.544 1.00 0.00 C ATOM 769 O TYR B 18 -3.769 10.247 -16.630 1.00 0.00 O ATOM 770 CB TYR B 18 -1.515 8.573 -16.633 1.00 0.00 C ATOM 771 CG TYR B 18 -0.073 8.718 -16.207 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.273 9.626 -15.199 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.919 7.943 -16.823 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.613 9.761 -14.808 1.00 0.00 C ATOM 775 CE2 TYR B 18 2.258 8.077 -16.432 1.00 0.00 C ATOM 776 CZ TYR B 18 2.604 8.986 -15.423 1.00 0.00 C ATOM 777 OH TYR B 18 3.922 9.119 -15.038 1.00 0.00 O ATOM 0 H TYR B 18 -3.098 6.827 -16.247 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.867 8.808 -14.486 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.663 7.614 -17.129 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.770 9.348 -17.356 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.492 10.222 -14.723 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.651 7.242 -17.600 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.881 10.463 -14.032 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.022 7.480 -16.908 1.00 0.00 H new ATOM 0 HH TYR B 18 4.480 8.508 -15.563 1.00 0.00 H new ATOM 787 N LYS B 19 -3.708 10.507 -14.449 1.00 0.00 N ATOM 788 CA LYS B 19 -4.619 11.687 -14.524 1.00 0.00 C ATOM 789 C LYS B 19 -4.684 12.415 -13.174 1.00 0.00 C ATOM 790 O LYS B 19 -5.638 13.108 -12.881 1.00 0.00 O ATOM 791 CB LYS B 19 -5.986 11.101 -14.879 1.00 0.00 C ATOM 792 CG LYS B 19 -6.572 11.857 -16.072 1.00 0.00 C ATOM 793 CD LYS B 19 -7.990 12.316 -15.734 1.00 0.00 C ATOM 794 CE LYS B 19 -8.616 12.990 -16.957 1.00 0.00 C ATOM 795 NZ LYS B 19 -9.560 13.997 -16.397 1.00 0.00 N ATOM 0 H LYS B 19 -3.401 10.252 -13.510 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.277 12.420 -15.255 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -5.888 10.042 -15.119 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.658 11.174 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.947 12.717 -16.314 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.586 11.215 -16.953 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.595 11.463 -15.426 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.968 13.011 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -7.857 13.463 -17.579 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.136 12.266 -17.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.030 14.503 -17.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.275 13.516 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.035 14.676 -15.810 1.00 0.00 H new ATOM 809 N LYS B 20 -3.681 12.269 -12.352 1.00 0.00 N ATOM 810 CA LYS B 20 -3.697 12.957 -11.029 1.00 0.00 C ATOM 811 C LYS B 20 -2.393 13.734 -10.820 1.00 0.00 C ATOM 812 O LYS B 20 -1.351 13.365 -11.322 1.00 0.00 O ATOM 813 CB LYS B 20 -3.821 11.835 -9.998 1.00 0.00 C ATOM 814 CG LYS B 20 -3.648 12.413 -8.593 1.00 0.00 C ATOM 815 CD LYS B 20 -4.511 11.625 -7.605 1.00 0.00 C ATOM 816 CE LYS B 20 -4.039 11.906 -6.178 1.00 0.00 C ATOM 817 NZ LYS B 20 -4.327 10.654 -5.424 1.00 0.00 N ATOM 0 H LYS B 20 -2.852 11.704 -12.538 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.512 13.676 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -4.794 11.351 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -3.066 11.071 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.601 12.365 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -3.934 13.465 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -5.558 11.907 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -4.444 10.558 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -2.976 12.146 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -4.568 12.757 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -4.030 10.769 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -5.347 10.455 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -3.805 9.863 -5.852 1.00 0.00 H new ATOM 831 N ALA B 21 -2.444 14.809 -10.078 1.00 0.00 N ATOM 832 CA ALA B 21 -1.207 15.608 -9.834 1.00 0.00 C ATOM 833 C ALA B 21 -1.401 16.530 -8.628 1.00 0.00 C ATOM 834 O ALA B 21 -2.471 17.069 -8.423 1.00 0.00 O ATOM 835 CB ALA B 21 -1.004 16.428 -11.109 1.00 0.00 C ATOM 0 H ALA B 21 -3.288 15.168 -9.631 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.346 14.977 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.111 17.044 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.886 15.756 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.870 17.069 -11.271 1.00 0.00 H new ATOM 841 N PRO B 22 -0.350 16.678 -7.867 1.00 0.00 N ATOM 842 CA PRO B 22 -0.395 17.541 -6.663 1.00 0.00 C ATOM 843 C PRO B 22 -0.378 19.020 -7.060 1.00 0.00 C ATOM 844 O PRO B 22 -0.570 19.895 -6.240 1.00 0.00 O ATOM 845 CB PRO B 22 0.878 17.169 -5.908 1.00 0.00 C ATOM 846 CG PRO B 22 1.811 16.644 -6.954 1.00 0.00 C ATOM 847 CD PRO B 22 0.965 16.057 -8.055 1.00 0.00 C ATOM 0 HA PRO B 22 -1.297 17.397 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO B 22 1.302 18.035 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO B 22 0.678 16.417 -5.144 1.00 0.00 H new ATOM 0 HG2 PRO B 22 2.444 17.443 -7.340 1.00 0.00 H new ATOM 0 HG3 PRO B 22 2.473 15.887 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO B 22 1.376 16.285 -9.038 1.00 0.00 H new ATOM 0 HD3 PRO B 22 0.908 14.971 -7.978 1.00 0.00 H new ATOM 855 N THR B 23 -0.150 19.302 -8.312 1.00 0.00 N ATOM 856 CA THR B 23 -0.119 20.724 -8.760 1.00 0.00 C ATOM 857 C THR B 23 0.071 20.803 -10.278 1.00 0.00 C ATOM 858 O THR B 23 -0.267 19.889 -11.004 1.00 0.00 O ATOM 859 CB THR B 23 1.081 21.339 -8.039 1.00 0.00 C ATOM 860 OG1 THR B 23 1.177 22.717 -8.373 1.00 0.00 O ATOM 861 CG2 THR B 23 2.361 20.619 -8.465 1.00 0.00 C ATOM 0 H THR B 23 0.016 18.612 -9.044 1.00 0.00 H new ATOM 0 HA THR B 23 -1.048 21.247 -8.531 1.00 0.00 H new ATOM 0 HB THR B 23 0.950 21.233 -6.962 1.00 0.00 H new ATOM 0 HG1 THR B 23 2.060 22.900 -8.758 1.00 0.00 H new ATOM 0 HG21 THR B 23 3.215 21.059 -7.950 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.287 19.562 -8.207 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.495 20.721 -9.542 1.00 0.00 H new ATOM 869 N ASN B 24 0.608 21.890 -10.761 1.00 0.00 N ATOM 870 CA ASN B 24 0.817 22.030 -12.230 1.00 0.00 C ATOM 871 C ASN B 24 2.301 21.867 -12.572 1.00 0.00 C ATOM 872 O ASN B 24 2.993 22.827 -12.850 1.00 0.00 O ATOM 873 CB ASN B 24 0.344 23.444 -12.564 1.00 0.00 C ATOM 874 CG ASN B 24 0.232 23.599 -14.082 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.669 23.060 -14.694 1.00 0.00 O ATOM 876 ND2 ASN B 24 1.116 24.316 -14.720 1.00 0.00 N ATOM 0 H ASN B 24 0.911 22.687 -10.202 1.00 0.00 H new ATOM 0 HA ASN B 24 0.275 21.273 -12.797 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.621 23.636 -12.096 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.044 24.177 -12.163 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.051 24.424 -15.732 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.872 24.769 -14.207 1.00 0.00 H new