USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 137 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -66:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 118 N GLY A 8 49.118 36.333 -6.593 1.00 0.00 N ATOM 119 CA GLY A 8 49.229 35.279 -5.569 1.00 0.00 C ATOM 120 C GLY A 8 48.585 35.736 -4.259 1.00 0.00 C ATOM 121 O GLY A 8 47.380 35.527 -4.082 1.00 0.00 O ATOM 0 HA2 GLY A 8 48.744 34.369 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 8 50.278 35.036 -5.400 1.00 0.00 H new ATOM 125 N SER A 9 49.400 36.346 -3.376 1.00 0.00 N ATOM 126 CA SER A 9 48.945 36.853 -2.050 1.00 0.00 C ATOM 127 C SER A 9 48.191 38.216 -2.075 1.00 0.00 C ATOM 128 O SER A 9 47.127 38.265 -1.448 1.00 0.00 O ATOM 129 CB SER A 9 50.137 36.852 -1.079 1.00 0.00 C ATOM 130 OG SER A 9 51.118 37.784 -1.511 1.00 0.00 O ATOM 0 H SER A 9 50.392 36.505 -3.554 1.00 0.00 H new ATOM 0 HA SER A 9 48.177 36.165 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 9 49.799 37.107 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.571 35.854 -1.025 1.00 0.00 H new ATOM 0 HG SER A 9 51.873 37.778 -0.886 1.00 0.00 H new ATOM 136 N HIS A 10 48.667 39.289 -2.780 1.00 0.00 N ATOM 137 CA HIS A 10 47.985 40.632 -2.857 1.00 0.00 C ATOM 138 C HIS A 10 46.436 40.590 -3.142 1.00 0.00 C ATOM 139 O HIS A 10 45.686 41.260 -2.416 1.00 0.00 O ATOM 140 CB HIS A 10 48.789 41.547 -3.823 1.00 0.00 C ATOM 141 CG HIS A 10 48.502 43.037 -3.692 1.00 0.00 C ATOM 142 ND1 HIS A 10 47.590 43.726 -4.472 1.00 0.00 N ATOM 143 CD2 HIS A 10 49.115 43.903 -2.772 1.00 0.00 C ATOM 144 CE1 HIS A 10 47.733 44.982 -3.943 1.00 0.00 C ATOM 145 NE2 HIS A 10 48.622 45.188 -2.921 1.00 0.00 N ATOM 0 H HIS A 10 49.536 39.252 -3.313 1.00 0.00 H new ATOM 0 HA HIS A 10 48.003 41.069 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 10 49.853 41.382 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 10 48.578 41.241 -4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 10 49.864 43.609 -2.051 1.00 0.00 H new ATOM 0 HE1 HIS A 10 47.149 45.804 -4.329 1.00 0.00 H new ATOM 0 HE2 HIS A 10 48.854 46.043 -2.415 1.00 0.00 H new ATOM 154 N LEU A 11 45.984 39.755 -4.121 1.00 0.00 N ATOM 155 CA LEU A 11 44.550 39.552 -4.470 1.00 0.00 C ATOM 156 C LEU A 11 43.795 38.918 -3.249 1.00 0.00 C ATOM 157 O LEU A 11 43.134 39.692 -2.559 1.00 0.00 O ATOM 158 CB LEU A 11 44.486 38.810 -5.866 1.00 0.00 C ATOM 159 CG LEU A 11 43.126 38.269 -6.442 1.00 0.00 C ATOM 160 CD1 LEU A 11 42.129 39.377 -6.879 1.00 0.00 C ATOM 161 CD2 LEU A 11 43.352 37.288 -7.620 1.00 0.00 C ATOM 0 H LEU A 11 46.615 39.198 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 11 43.996 40.477 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 11 44.896 39.494 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 11 45.166 37.960 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 11 42.669 37.743 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 11 41.219 38.917 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 11 41.884 40.005 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 11 42.583 39.989 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 11 42.389 36.936 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 11 43.885 37.799 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 11 43.941 36.438 -7.277 1.00 0.00 H new ATOM 173 N VAL A 12 44.024 37.628 -2.890 1.00 0.00 N ATOM 174 CA VAL A 12 43.384 36.882 -1.734 1.00 0.00 C ATOM 175 C VAL A 12 43.384 37.671 -0.378 1.00 0.00 C ATOM 176 O VAL A 12 42.508 37.351 0.431 1.00 0.00 O ATOM 177 CB VAL A 12 43.901 35.377 -1.616 1.00 0.00 C ATOM 178 CG1 VAL A 12 43.024 34.468 -0.698 1.00 0.00 C ATOM 179 CG2 VAL A 12 44.134 34.580 -2.946 1.00 0.00 C ATOM 0 H VAL A 12 44.681 37.042 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 12 42.326 36.809 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 12 44.878 35.572 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 12 43.445 33.463 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 12 43.006 34.879 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 12 42.008 34.426 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 12 44.484 33.575 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 12 43.198 34.518 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 12 44.882 35.092 -3.551 1.00 0.00 H new ATOM 189 N GLU A 13 44.337 38.594 -0.071 1.00 0.00 N ATOM 190 CA GLU A 13 44.244 39.447 1.150 1.00 0.00 C ATOM 191 C GLU A 13 43.152 40.542 0.860 1.00 0.00 C ATOM 192 O GLU A 13 42.095 40.365 1.448 1.00 0.00 O ATOM 193 CB GLU A 13 45.588 40.023 1.680 1.00 0.00 C ATOM 194 CG GLU A 13 46.565 39.071 2.405 1.00 0.00 C ATOM 195 CD GLU A 13 47.392 38.182 1.483 1.00 0.00 C ATOM 196 OE1 GLU A 13 47.203 36.973 1.358 1.00 0.00 O ATOM 197 OE2 GLU A 13 48.359 38.891 0.822 1.00 0.00 O ATOM 0 H GLU A 13 45.165 38.766 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 13 43.949 38.819 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 13 46.118 40.460 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 13 45.352 40.839 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 13 47.243 39.666 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 13 45.996 38.436 3.084 1.00 0.00 H new ATOM 205 N ALA A 14 43.241 41.447 -0.155 1.00 0.00 N ATOM 206 CA ALA A 14 42.232 42.530 -0.441 1.00 0.00 C ATOM 207 C ALA A 14 40.690 42.342 -0.260 1.00 0.00 C ATOM 208 O ALA A 14 40.039 43.319 0.125 1.00 0.00 O ATOM 209 CB ALA A 14 42.459 42.804 -1.952 1.00 0.00 C ATOM 0 H ALA A 14 44.022 41.452 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 14 42.426 43.285 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.775 43.584 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 14 43.487 43.129 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 14 42.274 41.892 -2.519 1.00 0.00 H new ATOM 215 N LEU A 15 40.130 41.149 -0.528 1.00 0.00 N ATOM 216 CA LEU A 15 38.669 40.835 -0.419 1.00 0.00 C ATOM 217 C LEU A 15 38.069 40.612 0.974 1.00 0.00 C ATOM 218 O LEU A 15 36.905 40.948 1.218 1.00 0.00 O ATOM 219 CB LEU A 15 38.281 39.650 -1.407 1.00 0.00 C ATOM 220 CG LEU A 15 39.122 38.341 -1.669 1.00 0.00 C ATOM 221 CD1 LEU A 15 40.270 38.626 -2.664 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.638 37.649 -0.378 1.00 0.00 C ATOM 0 H LEU A 15 40.682 40.348 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 15 38.201 41.774 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 37.299 39.307 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 38.149 40.114 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 15 38.436 37.622 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.840 37.712 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.854 38.975 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.927 39.392 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 40.206 36.758 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 15 40.280 38.337 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.791 37.366 0.246 1.00 0.00 H new ATOM 234 N TYR A 16 38.895 40.078 1.856 1.00 0.00 N ATOM 235 CA TYR A 16 38.635 39.825 3.290 1.00 0.00 C ATOM 236 C TYR A 16 37.817 40.871 4.164 1.00 0.00 C ATOM 237 O TYR A 16 37.151 40.486 5.129 1.00 0.00 O ATOM 238 CB TYR A 16 40.147 39.708 3.708 1.00 0.00 C ATOM 239 CG TYR A 16 41.039 40.997 3.990 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.995 42.183 3.237 1.00 0.00 C ATOM 241 CD2 TYR A 16 42.042 40.878 4.934 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.880 43.214 3.484 1.00 0.00 C ATOM 243 CE2 TYR A 16 42.927 41.908 5.182 1.00 0.00 C ATOM 244 CZ TYR A 16 42.843 43.079 4.460 1.00 0.00 C ATOM 245 OH TYR A 16 43.729 44.097 4.697 1.00 0.00 O ATOM 0 H TYR A 16 39.834 39.784 1.586 1.00 0.00 H new ATOM 0 HA TYR A 16 37.950 38.994 3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 16 40.179 39.098 4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 16 40.649 39.142 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 16 40.259 42.290 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 16 42.135 39.957 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.817 44.127 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.686 41.796 5.942 1.00 0.00 H new ATOM 0 HH TYR A 16 44.340 43.838 5.418 1.00 0.00 H new ATOM 255 N LEU A 17 37.920 42.160 3.781 1.00 0.00 N ATOM 256 CA LEU A 17 37.319 43.350 4.411 1.00 0.00 C ATOM 257 C LEU A 17 35.818 43.554 4.040 1.00 0.00 C ATOM 258 O LEU A 17 35.014 43.694 4.967 1.00 0.00 O ATOM 259 CB LEU A 17 38.332 44.532 4.072 1.00 0.00 C ATOM 260 CG LEU A 17 38.849 45.448 5.240 1.00 0.00 C ATOM 261 CD1 LEU A 17 39.855 44.744 6.203 1.00 0.00 C ATOM 262 CD2 LEU A 17 39.498 46.744 4.693 1.00 0.00 C ATOM 0 H LEU A 17 38.468 42.414 2.959 1.00 0.00 H new ATOM 0 HA LEU A 17 37.219 43.269 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.204 44.091 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 17 37.852 45.176 3.336 1.00 0.00 H new ATOM 0 HG LEU A 17 37.958 45.687 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 17 40.164 45.443 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 17 39.375 43.879 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.730 44.418 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.845 47.356 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.343 46.486 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 17 38.763 47.303 4.114 1.00 0.00 H new ATOM 274 N VAL A 18 35.449 43.566 2.730 1.00 0.00 N ATOM 275 CA VAL A 18 34.033 43.717 2.234 1.00 0.00 C ATOM 276 C VAL A 18 33.322 42.304 2.347 1.00 0.00 C ATOM 277 O VAL A 18 32.279 42.251 3.007 1.00 0.00 O ATOM 278 CB VAL A 18 33.946 44.460 0.828 1.00 0.00 C ATOM 279 CG1 VAL A 18 32.513 44.576 0.219 1.00 0.00 C ATOM 280 CG2 VAL A 18 34.570 45.893 0.799 1.00 0.00 C ATOM 0 H VAL A 18 36.126 43.471 1.973 1.00 0.00 H new ATOM 0 HA VAL A 18 33.464 44.401 2.864 1.00 0.00 H new ATOM 0 HB VAL A 18 34.544 43.784 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 32.565 45.097 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 18 32.101 43.579 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 18 31.871 45.133 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.462 46.317 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 34.056 46.528 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 18 35.628 45.835 1.056 1.00 0.00 H new ATOM 290 N SER A 19 33.864 41.219 1.728 1.00 0.00 N ATOM 291 CA SER A 19 33.284 39.842 1.766 1.00 0.00 C ATOM 292 C SER A 19 32.920 39.187 3.138 1.00 0.00 C ATOM 293 O SER A 19 31.922 38.458 3.156 1.00 0.00 O ATOM 294 CB SER A 19 34.223 38.912 0.977 1.00 0.00 C ATOM 295 OG SER A 19 35.462 38.780 1.660 1.00 0.00 O ATOM 0 H SER A 19 34.724 41.274 1.183 1.00 0.00 H new ATOM 0 HA SER A 19 32.295 39.974 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 19 33.760 37.933 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 19 34.390 39.313 -0.023 1.00 0.00 H new ATOM 0 HG SER A 19 35.926 39.643 1.665 1.00 0.00 H new ATOM 301 N GLY A 20 33.686 39.432 4.232 1.00 0.00 N ATOM 302 CA GLY A 20 33.417 38.854 5.566 1.00 0.00 C ATOM 303 C GLY A 20 34.252 37.581 5.745 1.00 0.00 C ATOM 304 O GLY A 20 33.952 36.571 5.098 1.00 0.00 O ATOM 0 H GLY A 20 34.507 40.037 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.663 39.576 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.356 38.624 5.668 1.00 0.00 H new ATOM 308 N GLU A 21 35.259 37.633 6.646 1.00 0.00 N ATOM 309 CA GLU A 21 36.201 36.495 6.959 1.00 0.00 C ATOM 310 C GLU A 21 35.612 35.041 7.037 1.00 0.00 C ATOM 311 O GLU A 21 36.309 34.122 6.595 1.00 0.00 O ATOM 312 CB GLU A 21 37.042 36.805 8.243 1.00 0.00 C ATOM 313 CG GLU A 21 38.152 37.878 8.131 1.00 0.00 C ATOM 314 CD GLU A 21 38.847 38.126 9.463 1.00 0.00 C ATOM 315 OE1 GLU A 21 38.532 39.030 10.235 1.00 0.00 O ATOM 316 OE2 GLU A 21 39.855 37.226 9.689 1.00 0.00 O ATOM 0 H GLU A 21 35.457 38.471 7.193 1.00 0.00 H new ATOM 0 HA GLU A 21 36.824 36.460 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 21 36.353 37.115 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 37.505 35.875 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 38.888 37.561 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 37.719 38.811 7.770 1.00 0.00 H new ATOM 324 N ARG A 22 34.381 34.854 7.574 1.00 0.00 N ATOM 325 CA ARG A 22 33.704 33.518 7.675 1.00 0.00 C ATOM 326 C ARG A 22 33.181 32.958 6.306 1.00 0.00 C ATOM 327 O ARG A 22 33.302 31.740 6.130 1.00 0.00 O ATOM 328 CB ARG A 22 32.561 33.528 8.742 1.00 0.00 C ATOM 329 CG ARG A 22 32.990 33.561 10.234 1.00 0.00 C ATOM 330 CD ARG A 22 31.817 33.620 11.225 1.00 0.00 C ATOM 331 NE ARG A 22 32.325 33.637 12.624 1.00 0.00 N ATOM 332 CZ ARG A 22 32.421 34.719 13.443 1.00 0.00 C ATOM 333 NH1 ARG A 22 32.080 35.978 13.130 1.00 0.00 N ATOM 334 NH2 ARG A 22 32.895 34.511 14.657 1.00 0.00 N ATOM 0 H ARG A 22 33.822 35.619 7.952 1.00 0.00 H new ATOM 0 HA ARG A 22 34.485 32.831 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.928 34.395 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.944 32.643 8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 22 33.588 32.675 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 22 33.633 34.426 10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.218 34.511 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.164 32.760 11.078 1.00 0.00 H new ATOM 0 HE ARG A 22 32.633 32.744 13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 22 31.710 36.191 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.191 36.722 13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.170 33.571 14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.987 35.290 15.309 1.00 0.00 H new ATOM 348 N GLY A 23 32.610 33.788 5.392 1.00 0.00 N ATOM 349 CA GLY A 23 32.098 33.326 4.082 1.00 0.00 C ATOM 350 C GLY A 23 33.175 33.450 3.000 1.00 0.00 C ATOM 351 O GLY A 23 33.228 34.485 2.328 1.00 0.00 O ATOM 0 H GLY A 23 32.494 34.790 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.772 32.289 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.224 33.914 3.800 1.00 0.00 H new ATOM 355 N PHE A 24 34.003 32.396 2.860 1.00 0.00 N ATOM 356 CA PHE A 24 35.105 32.338 1.868 1.00 0.00 C ATOM 357 C PHE A 24 34.702 31.238 0.853 1.00 0.00 C ATOM 358 O PHE A 24 34.613 30.061 1.224 1.00 0.00 O ATOM 359 CB PHE A 24 36.434 32.042 2.610 1.00 0.00 C ATOM 360 CG PHE A 24 37.707 32.170 1.741 1.00 0.00 C ATOM 361 CD1 PHE A 24 38.372 33.387 1.625 1.00 0.00 C ATOM 362 CD2 PHE A 24 38.210 31.062 1.067 1.00 0.00 C ATOM 363 CE1 PHE A 24 39.511 33.490 0.851 1.00 0.00 C ATOM 364 CE2 PHE A 24 39.350 31.173 0.295 1.00 0.00 C ATOM 365 CZ PHE A 24 40.000 32.385 0.187 1.00 0.00 C ATOM 0 H PHE A 24 33.929 31.555 3.433 1.00 0.00 H new ATOM 0 HA PHE A 24 35.263 33.274 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 24 36.520 32.723 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 24 36.389 31.032 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.995 34.256 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 24 37.707 30.110 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 24 40.020 34.439 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 24 39.734 30.308 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 24 40.891 32.468 -0.417 1.00 0.00 H new ATOM 375 N PHE A 25 34.444 31.653 -0.407 1.00 0.00 N ATOM 376 CA PHE A 25 34.047 30.746 -1.520 1.00 0.00 C ATOM 377 C PHE A 25 34.737 31.305 -2.790 1.00 0.00 C ATOM 378 O PHE A 25 34.471 32.448 -3.186 1.00 0.00 O ATOM 379 CB PHE A 25 32.507 30.676 -1.713 1.00 0.00 C ATOM 380 CG PHE A 25 31.746 29.917 -0.602 1.00 0.00 C ATOM 381 CD1 PHE A 25 31.534 28.544 -0.692 1.00 0.00 C ATOM 382 CD2 PHE A 25 31.260 30.600 0.508 1.00 0.00 C ATOM 383 CE1 PHE A 25 30.856 27.875 0.307 1.00 0.00 C ATOM 384 CE2 PHE A 25 30.582 29.923 1.503 1.00 0.00 C ATOM 385 CZ PHE A 25 30.380 28.563 1.403 1.00 0.00 C ATOM 0 H PHE A 25 34.504 32.632 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 25 34.356 29.724 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 25 32.116 31.692 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 25 32.297 30.197 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.902 27.999 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 25 31.414 31.666 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.698 26.809 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 25 30.209 30.461 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.849 28.037 2.183 1.00 0.00 H new