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 -50:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 118 N GLY A 8 48.881 35.534 -5.902 1.00 0.00 N ATOM 119 CA GLY A 8 48.379 34.540 -4.925 1.00 0.00 C ATOM 120 C GLY A 8 47.783 35.213 -3.683 1.00 0.00 C ATOM 121 O GLY A 8 46.558 35.362 -3.619 1.00 0.00 O ATOM 0 HA2 GLY A 8 47.622 33.915 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 8 49.194 33.881 -4.626 1.00 0.00 H new ATOM 125 N SER A 9 48.655 35.601 -2.727 1.00 0.00 N ATOM 126 CA SER A 9 48.244 36.259 -1.452 1.00 0.00 C ATOM 127 C SER A 9 47.696 37.714 -1.537 1.00 0.00 C ATOM 128 O SER A 9 46.754 37.984 -0.785 1.00 0.00 O ATOM 129 CB SER A 9 49.401 36.165 -0.442 1.00 0.00 C ATOM 130 OG SER A 9 49.741 34.807 -0.187 1.00 0.00 O ATOM 0 H SER A 9 49.663 35.470 -2.810 1.00 0.00 H new ATOM 0 HA SER A 9 47.368 35.698 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.271 36.696 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 9 49.117 36.654 0.490 1.00 0.00 H new ATOM 0 HG SER A 9 50.480 34.770 0.456 1.00 0.00 H new ATOM 136 N HIS A 10 48.223 38.631 -2.400 1.00 0.00 N ATOM 137 CA HIS A 10 47.710 40.040 -2.534 1.00 0.00 C ATOM 138 C HIS A 10 46.190 40.151 -2.910 1.00 0.00 C ATOM 139 O HIS A 10 45.442 40.808 -2.169 1.00 0.00 O ATOM 140 CB HIS A 10 48.667 40.913 -3.387 1.00 0.00 C ATOM 141 CG HIS A 10 48.763 40.607 -4.878 1.00 0.00 C ATOM 142 ND1 HIS A 10 47.869 41.072 -5.827 1.00 0.00 N ATOM 143 CD2 HIS A 10 49.774 39.846 -5.487 1.00 0.00 C ATOM 144 CE1 HIS A 10 48.433 40.542 -6.958 1.00 0.00 C ATOM 145 NE2 HIS A 10 49.575 39.793 -6.855 1.00 0.00 N ATOM 0 H HIS A 10 49.007 38.424 -3.019 1.00 0.00 H new ATOM 0 HA HIS A 10 47.725 40.472 -1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 10 48.360 41.953 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 10 49.667 40.829 -2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 10 50.590 39.370 -4.963 1.00 0.00 H new ATOM 0 HE1 HIS A 10 47.980 40.714 -7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 10 50.122 39.329 -7.580 1.00 0.00 H new ATOM 154 N LEU A 11 45.732 39.443 -3.986 1.00 0.00 N ATOM 155 CA LEU A 11 44.304 39.390 -4.421 1.00 0.00 C ATOM 156 C LEU A 11 43.440 38.816 -3.244 1.00 0.00 C ATOM 157 O LEU A 11 42.856 39.648 -2.554 1.00 0.00 O ATOM 158 CB LEU A 11 44.238 38.680 -5.833 1.00 0.00 C ATOM 159 CG LEU A 11 42.862 38.262 -6.473 1.00 0.00 C ATOM 160 CD1 LEU A 11 41.974 39.454 -6.923 1.00 0.00 C ATOM 161 CD2 LEU A 11 43.058 37.289 -7.664 1.00 0.00 C ATOM 0 H LEU A 11 46.350 38.889 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 11 43.850 40.363 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 11 44.732 39.341 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 11 44.844 37.777 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 11 42.330 37.759 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 11 41.046 39.075 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 11 41.746 40.083 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 11 42.506 40.042 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 42.086 37.023 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 43.662 37.772 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 43.564 36.388 -7.318 1.00 0.00 H new ATOM 173 N VAL A 12 43.523 37.504 -2.903 1.00 0.00 N ATOM 174 CA VAL A 12 42.778 36.818 -1.774 1.00 0.00 C ATOM 175 C VAL A 12 42.866 37.578 -0.391 1.00 0.00 C ATOM 176 O VAL A 12 41.968 37.345 0.421 1.00 0.00 O ATOM 177 CB VAL A 12 43.143 35.267 -1.688 1.00 0.00 C ATOM 178 CG1 VAL A 12 42.227 34.439 -0.735 1.00 0.00 C ATOM 179 CG2 VAL A 12 43.227 34.467 -3.035 1.00 0.00 C ATOM 0 H VAL A 12 44.126 36.859 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 12 41.719 36.871 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 12 44.153 35.358 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 12 42.546 33.397 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 12 42.299 34.838 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 12 41.194 34.503 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 12 43.483 33.428 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 42.264 34.508 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 12 43.993 34.908 -3.673 1.00 0.00 H new ATOM 189 N GLU A 13 43.931 38.353 -0.075 1.00 0.00 N ATOM 190 CA GLU A 13 44.000 39.162 1.182 1.00 0.00 C ATOM 191 C GLU A 13 43.184 40.492 1.102 1.00 0.00 C ATOM 192 O GLU A 13 42.912 40.982 2.186 1.00 0.00 O ATOM 193 CB GLU A 13 45.417 39.428 1.757 1.00 0.00 C ATOM 194 CG GLU A 13 46.254 38.223 2.252 1.00 0.00 C ATOM 195 CD GLU A 13 45.849 37.675 3.622 1.00 0.00 C ATOM 196 OE1 GLU A 13 46.491 37.879 4.651 1.00 0.00 O ATOM 197 OE2 GLU A 13 44.695 36.939 3.557 1.00 0.00 O ATOM 0 H GLU A 13 44.757 38.440 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 13 43.524 38.496 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 13 45.996 39.939 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 13 45.311 40.122 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 13 46.177 37.420 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 13 47.302 38.519 2.291 1.00 0.00 H new ATOM 205 N ALA A 14 42.938 41.140 -0.057 1.00 0.00 N ATOM 206 CA ALA A 14 42.113 42.390 -0.177 1.00 0.00 C ATOM 207 C ALA A 14 40.562 42.320 0.013 1.00 0.00 C ATOM 208 O ALA A 14 40.001 43.281 0.549 1.00 0.00 O ATOM 209 CB ALA A 14 42.385 42.858 -1.627 1.00 0.00 C ATOM 0 H ALA A 14 43.305 40.817 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 14 42.413 43.035 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.827 43.773 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 14 43.451 43.049 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 14 42.070 42.082 -2.325 1.00 0.00 H new ATOM 215 N LEU A 15 39.892 41.251 -0.457 1.00 0.00 N ATOM 216 CA LEU A 15 38.410 41.038 -0.397 1.00 0.00 C ATOM 217 C LEU A 15 37.750 40.727 0.953 1.00 0.00 C ATOM 218 O LEU A 15 36.601 41.111 1.196 1.00 0.00 O ATOM 219 CB LEU A 15 37.973 39.966 -1.494 1.00 0.00 C ATOM 220 CG LEU A 15 38.740 38.628 -1.848 1.00 0.00 C ATOM 221 CD1 LEU A 15 39.925 38.920 -2.797 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.199 37.812 -0.608 1.00 0.00 C ATOM 0 H LEU A 15 40.375 40.475 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 15 38.022 42.035 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.962 39.662 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 37.898 40.518 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 15 38.018 37.991 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.442 37.989 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.552 39.369 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.618 39.608 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 15 39.716 36.911 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 15 39.874 38.418 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.329 37.534 -0.013 1.00 0.00 H new ATOM 234 N TYR A 16 38.512 40.060 1.799 1.00 0.00 N ATOM 235 CA TYR A 16 38.209 39.667 3.190 1.00 0.00 C ATOM 236 C TYR A 16 37.422 40.649 4.157 1.00 0.00 C ATOM 237 O TYR A 16 36.725 40.199 5.070 1.00 0.00 O ATOM 238 CB TYR A 16 39.708 39.413 3.605 1.00 0.00 C ATOM 239 CG TYR A 16 40.692 40.601 3.988 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.650 41.897 3.451 1.00 0.00 C ATOM 241 CD2 TYR A 16 41.761 40.297 4.817 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.541 42.871 3.862 1.00 0.00 C ATOM 243 CE2 TYR A 16 42.668 41.262 5.209 1.00 0.00 C ATOM 244 CZ TYR A 16 42.547 42.554 4.747 1.00 0.00 C ATOM 245 OH TYR A 16 43.453 43.509 5.130 1.00 0.00 O ATOM 0 H TYR A 16 39.442 39.746 1.521 1.00 0.00 H new ATOM 0 HA TYR A 16 37.476 38.864 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 16 39.687 38.736 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 40.174 38.873 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 16 39.909 42.138 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 16 41.887 39.282 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.448 43.880 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.474 41.003 5.879 1.00 0.00 H new ATOM 0 HH TYR A 16 44.095 43.118 5.759 1.00 0.00 H new ATOM 255 N LEU A 17 37.585 41.960 3.908 1.00 0.00 N ATOM 256 CA LEU A 17 37.033 43.115 4.639 1.00 0.00 C ATOM 257 C LEU A 17 35.550 43.420 4.271 1.00 0.00 C ATOM 258 O LEU A 17 34.739 43.510 5.199 1.00 0.00 O ATOM 259 CB LEU A 17 38.118 44.258 4.411 1.00 0.00 C ATOM 260 CG LEU A 17 38.669 45.053 5.651 1.00 0.00 C ATOM 261 CD1 LEU A 17 39.542 44.202 6.627 1.00 0.00 C ATOM 262 CD2 LEU A 17 39.485 46.293 5.202 1.00 0.00 C ATOM 0 H LEU A 17 38.157 42.266 3.121 1.00 0.00 H new ATOM 0 HA LEU A 17 36.906 42.956 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 17 38.971 43.804 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 17 37.689 44.984 3.720 1.00 0.00 H new ATOM 0 HG LEU A 17 37.778 45.357 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.880 44.828 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.950 43.375 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.407 43.808 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.854 46.823 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.329 45.972 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 17 38.847 46.957 4.618 1.00 0.00 H new ATOM 274 N VAL A 18 35.201 43.571 2.964 1.00 0.00 N ATOM 275 CA VAL A 18 33.798 43.818 2.469 1.00 0.00 C ATOM 276 C VAL A 18 33.049 42.421 2.439 1.00 0.00 C ATOM 277 O VAL A 18 31.994 42.334 3.076 1.00 0.00 O ATOM 278 CB VAL A 18 33.751 44.694 1.141 1.00 0.00 C ATOM 279 CG1 VAL A 18 32.327 44.920 0.544 1.00 0.00 C ATOM 280 CG2 VAL A 18 34.427 46.099 1.251 1.00 0.00 C ATOM 0 H VAL A 18 35.885 43.526 2.209 1.00 0.00 H new ATOM 0 HA VAL A 18 33.241 44.461 3.151 1.00 0.00 H new ATOM 0 HB VAL A 18 34.330 44.060 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 18 32.403 45.528 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 18 31.879 43.958 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 18 31.703 45.433 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.343 46.619 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 18 33.930 46.682 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 35.480 45.977 1.507 1.00 0.00 H new ATOM 290 N SER A 19 33.575 41.385 1.729 1.00 0.00 N ATOM 291 CA SER A 19 32.966 40.026 1.630 1.00 0.00 C ATOM 292 C SER A 19 32.670 39.233 2.946 1.00 0.00 C ATOM 293 O SER A 19 31.598 38.621 2.994 1.00 0.00 O ATOM 294 CB SER A 19 33.832 39.185 0.673 1.00 0.00 C ATOM 295 OG SER A 19 35.102 38.942 1.261 1.00 0.00 O ATOM 0 H SER A 19 34.444 41.470 1.203 1.00 0.00 H new ATOM 0 HA SER A 19 31.957 40.210 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 19 33.335 38.240 0.454 1.00 0.00 H new ATOM 0 HB3 SER A 19 33.954 39.708 -0.276 1.00 0.00 H new ATOM 0 HG SER A 19 35.485 39.788 1.574 1.00 0.00 H new ATOM 301 N GLY A 20 33.570 39.240 3.965 1.00 0.00 N ATOM 302 CA GLY A 20 33.375 38.515 5.242 1.00 0.00 C ATOM 303 C GLY A 20 34.631 37.687 5.545 1.00 0.00 C ATOM 304 O GLY A 20 34.983 36.813 4.741 1.00 0.00 O ATOM 0 H GLY A 20 34.452 39.751 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.186 39.221 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.503 37.865 5.176 1.00 0.00 H new ATOM 308 N GLU A 21 35.256 37.936 6.722 1.00 0.00 N ATOM 309 CA GLU A 21 36.510 37.246 7.211 1.00 0.00 C ATOM 310 C GLU A 21 36.679 35.722 6.868 1.00 0.00 C ATOM 311 O GLU A 21 37.790 35.342 6.482 1.00 0.00 O ATOM 312 CB GLU A 21 36.741 37.514 8.737 1.00 0.00 C ATOM 313 CG GLU A 21 37.205 38.929 9.155 1.00 0.00 C ATOM 314 CD GLU A 21 37.356 39.060 10.665 1.00 0.00 C ATOM 315 OE1 GLU A 21 36.515 39.593 11.387 1.00 0.00 O ATOM 316 OE2 GLU A 21 38.532 38.516 11.111 1.00 0.00 O ATOM 0 H GLU A 21 34.909 38.632 7.382 1.00 0.00 H new ATOM 0 HA GLU A 21 37.296 37.715 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 35.810 37.298 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 21 37.481 36.799 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 21 38.157 39.154 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 36.486 39.666 8.798 1.00 0.00 H new ATOM 324 N ARG A 22 35.609 34.899 7.002 1.00 0.00 N ATOM 325 CA ARG A 22 35.622 33.450 6.646 1.00 0.00 C ATOM 326 C ARG A 22 34.431 33.191 5.650 1.00 0.00 C ATOM 327 O ARG A 22 33.483 32.466 5.985 1.00 0.00 O ATOM 328 CB ARG A 22 35.648 32.630 7.975 1.00 0.00 C ATOM 329 CG ARG A 22 35.916 31.108 7.833 1.00 0.00 C ATOM 330 CD ARG A 22 35.902 30.288 9.140 1.00 0.00 C ATOM 331 NE ARG A 22 34.530 29.969 9.631 1.00 0.00 N ATOM 332 CZ ARG A 22 34.220 29.284 10.762 1.00 0.00 C ATOM 333 NH1 ARG A 22 35.094 28.775 11.643 1.00 0.00 N ATOM 334 NH2 ARG A 22 32.938 29.103 11.019 1.00 0.00 N ATOM 0 H ARG A 22 34.709 35.218 7.360 1.00 0.00 H new ATOM 0 HA ARG A 22 36.508 33.117 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.414 33.054 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 22 34.691 32.764 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 22 35.169 30.690 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.887 30.974 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 22 36.447 29.358 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 22 36.435 30.842 9.912 1.00 0.00 H new ATOM 0 HE ARG A 22 33.749 30.297 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 22 36.096 28.888 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.756 28.275 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.233 29.471 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.652 28.595 11.856 1.00 0.00 H new ATOM 348 N GLY A 23 34.521 33.770 4.425 1.00 0.00 N ATOM 349 CA GLY A 23 33.484 33.614 3.388 1.00 0.00 C ATOM 350 C GLY A 23 33.980 34.192 2.062 1.00 0.00 C ATOM 351 O GLY A 23 33.795 35.391 1.827 1.00 0.00 O ATOM 0 H GLY A 23 35.308 34.351 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 33.237 32.560 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 32.570 34.122 3.696 1.00 0.00 H new ATOM 355 N PHE A 24 34.596 33.329 1.227 1.00 0.00 N ATOM 356 CA PHE A 24 35.144 33.711 -0.100 1.00 0.00 C ATOM 357 C PHE A 24 34.035 33.437 -1.154 1.00 0.00 C ATOM 358 O PHE A 24 33.703 32.274 -1.418 1.00 0.00 O ATOM 359 CB PHE A 24 36.450 32.909 -0.349 1.00 0.00 C ATOM 360 CG PHE A 24 37.250 33.334 -1.603 1.00 0.00 C ATOM 361 CD1 PHE A 24 38.221 34.328 -1.528 1.00 0.00 C ATOM 362 CD2 PHE A 24 37.005 32.725 -2.830 1.00 0.00 C ATOM 363 CE1 PHE A 24 38.929 34.699 -2.655 1.00 0.00 C ATOM 364 CE2 PHE A 24 37.716 33.102 -3.952 1.00 0.00 C ATOM 365 CZ PHE A 24 38.677 34.087 -3.865 1.00 0.00 C ATOM 0 H PHE A 24 34.730 32.343 1.451 1.00 0.00 H new ATOM 0 HA PHE A 24 35.412 34.766 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 24 37.093 33.011 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 24 36.198 31.852 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 24 38.422 34.812 -0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 24 36.254 31.953 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.682 35.470 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 24 37.519 32.624 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 24 39.232 34.379 -4.744 1.00 0.00 H new ATOM 375 N PHE A 25 33.462 34.530 -1.705 1.00 0.00 N ATOM 376 CA PHE A 25 32.393 34.488 -2.740 1.00 0.00 C ATOM 377 C PHE A 25 32.671 35.690 -3.680 1.00 0.00 C ATOM 378 O PHE A 25 32.389 36.835 -3.303 1.00 0.00 O ATOM 379 CB PHE A 25 30.945 34.445 -2.163 1.00 0.00 C ATOM 380 CG PHE A 25 30.478 35.617 -1.266 1.00 0.00 C ATOM 381 CD1 PHE A 25 30.734 35.602 0.100 1.00 0.00 C ATOM 382 CD2 PHE A 25 29.816 36.708 -1.818 1.00 0.00 C ATOM 383 CE1 PHE A 25 30.330 36.656 0.896 1.00 0.00 C ATOM 384 CE2 PHE A 25 29.417 37.759 -1.016 1.00 0.00 C ATOM 385 CZ PHE A 25 29.673 37.734 0.339 1.00 0.00 C ATOM 0 H PHE A 25 33.729 35.479 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 25 32.431 33.551 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 25 30.254 34.373 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 25 30.843 33.525 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.251 34.763 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 25 29.613 36.734 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.529 36.636 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.903 38.603 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.360 38.557 0.964 1.00 0.00 H new