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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N GLY A 8 48.957 33.040 -4.518 1.00 0.00 N ATOM 119 CA GLY A 8 48.764 34.481 -4.763 1.00 0.00 C ATOM 120 C GLY A 8 48.017 35.131 -3.596 1.00 0.00 C ATOM 121 O GLY A 8 46.783 35.179 -3.633 1.00 0.00 O ATOM 0 HA2 GLY A 8 49.731 34.965 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 8 48.204 34.626 -5.687 1.00 0.00 H new ATOM 125 N SER A 9 48.780 35.618 -2.598 1.00 0.00 N ATOM 126 CA SER A 9 48.223 36.283 -1.384 1.00 0.00 C ATOM 127 C SER A 9 47.578 37.688 -1.545 1.00 0.00 C ATOM 128 O SER A 9 46.646 37.950 -0.777 1.00 0.00 O ATOM 129 CB SER A 9 49.317 36.329 -0.308 1.00 0.00 C ATOM 130 OG SER A 9 50.383 37.171 -0.724 1.00 0.00 O ATOM 0 H SER A 9 49.799 35.566 -2.602 1.00 0.00 H new ATOM 0 HA SER A 9 47.370 35.662 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 9 48.899 36.696 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 9 49.692 35.323 -0.118 1.00 0.00 H new ATOM 0 HG SER A 9 51.073 37.193 -0.028 1.00 0.00 H new ATOM 136 N HIS A 10 48.015 38.566 -2.491 1.00 0.00 N ATOM 137 CA HIS A 10 47.424 39.932 -2.708 1.00 0.00 C ATOM 138 C HIS A 10 45.888 39.922 -3.040 1.00 0.00 C ATOM 139 O HIS A 10 45.139 40.618 -2.336 1.00 0.00 O ATOM 140 CB HIS A 10 48.262 40.755 -3.729 1.00 0.00 C ATOM 141 CG HIS A 10 49.629 41.217 -3.242 1.00 0.00 C ATOM 142 ND1 HIS A 10 50.814 40.545 -3.486 1.00 0.00 N ATOM 143 CD2 HIS A 10 49.868 42.375 -2.485 1.00 0.00 C ATOM 144 CE1 HIS A 10 51.690 41.374 -2.836 1.00 0.00 C ATOM 145 NE2 HIS A 10 51.218 42.496 -2.207 1.00 0.00 N ATOM 0 H HIS A 10 48.784 38.354 -3.126 1.00 0.00 H new ATOM 0 HA HIS A 10 47.485 40.444 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 10 48.401 40.152 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 10 47.685 41.633 -4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 10 49.107 43.072 -2.165 1.00 0.00 H new ATOM 0 HE1 HIS A 10 52.745 41.145 -2.820 1.00 0.00 H new ATOM 0 HE2 HIS A 10 51.718 43.215 -1.684 1.00 0.00 H new ATOM 154 N LEU A 11 45.413 39.089 -4.018 1.00 0.00 N ATOM 155 CA LEU A 11 43.970 38.958 -4.384 1.00 0.00 C ATOM 156 C LEU A 11 43.176 38.436 -3.137 1.00 0.00 C ATOM 157 O LEU A 11 42.615 39.303 -2.468 1.00 0.00 O ATOM 158 CB LEU A 11 43.885 38.152 -5.740 1.00 0.00 C ATOM 159 CG LEU A 11 42.493 37.748 -6.347 1.00 0.00 C ATOM 160 CD1 LEU A 11 41.674 38.933 -6.930 1.00 0.00 C ATOM 161 CD2 LEU A 11 42.634 36.642 -7.425 1.00 0.00 C ATOM 0 H LEU A 11 46.024 38.490 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 11 43.466 39.898 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 11 44.406 38.740 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 11 44.454 37.233 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 11 41.932 37.366 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 11 40.729 38.562 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 11 41.476 39.661 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 11 42.241 39.409 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 11 41.649 36.391 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 11 43.269 37.002 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 11 43.083 35.755 -6.979 1.00 0.00 H new ATOM 173 N VAL A 12 43.296 37.151 -2.716 1.00 0.00 N ATOM 174 CA VAL A 12 42.618 36.556 -1.493 1.00 0.00 C ATOM 175 C VAL A 12 42.732 37.371 -0.162 1.00 0.00 C ATOM 176 O VAL A 12 41.878 37.159 0.704 1.00 0.00 O ATOM 177 CB VAL A 12 42.931 35.014 -1.272 1.00 0.00 C ATOM 178 CG1 VAL A 12 42.237 34.088 -2.310 1.00 0.00 C ATOM 179 CG2 VAL A 12 44.423 34.602 -1.109 1.00 0.00 C ATOM 0 H VAL A 12 43.873 36.472 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 12 41.566 36.641 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 12 42.489 34.860 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 12 42.494 33.050 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 12 41.156 34.215 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 42.574 34.349 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 44.489 33.523 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 12 44.978 34.884 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 12 44.848 35.110 -0.243 1.00 0.00 H new ATOM 189 N GLU A 13 43.795 38.178 0.055 1.00 0.00 N ATOM 190 CA GLU A 13 43.912 39.056 1.259 1.00 0.00 C ATOM 191 C GLU A 13 43.088 40.377 1.128 1.00 0.00 C ATOM 192 O GLU A 13 42.839 40.919 2.193 1.00 0.00 O ATOM 193 CB GLU A 13 45.347 39.362 1.763 1.00 0.00 C ATOM 194 CG GLU A 13 46.224 38.187 2.261 1.00 0.00 C ATOM 195 CD GLU A 13 45.876 37.663 3.656 1.00 0.00 C ATOM 196 OE1 GLU A 13 45.097 36.732 3.856 1.00 0.00 O ATOM 197 OE2 GLU A 13 46.534 38.352 4.640 1.00 0.00 O ATOM 0 H GLU A 13 44.588 38.245 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 13 43.473 38.430 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 13 45.884 39.856 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 13 45.265 40.082 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 13 46.141 37.365 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 13 47.266 38.506 2.259 1.00 0.00 H new ATOM 205 N ALA A 14 42.800 40.957 -0.059 1.00 0.00 N ATOM 206 CA ALA A 14 41.972 42.199 -0.222 1.00 0.00 C ATOM 207 C ALA A 14 40.430 42.150 0.032 1.00 0.00 C ATOM 208 O ALA A 14 39.893 43.147 0.524 1.00 0.00 O ATOM 209 CB ALA A 14 42.190 42.578 -1.706 1.00 0.00 C ATOM 0 H ALA A 14 43.134 40.581 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 14 42.303 42.890 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.625 43.481 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 14 43.250 42.758 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 14 41.848 41.763 -2.344 1.00 0.00 H new ATOM 215 N LEU A 15 39.738 41.056 -0.338 1.00 0.00 N ATOM 216 CA LEU A 15 38.258 40.855 -0.207 1.00 0.00 C ATOM 217 C LEU A 15 37.639 40.647 1.182 1.00 0.00 C ATOM 218 O LEU A 15 36.491 41.036 1.428 1.00 0.00 O ATOM 219 CB LEU A 15 37.780 39.709 -1.207 1.00 0.00 C ATOM 220 CG LEU A 15 38.540 38.351 -1.495 1.00 0.00 C ATOM 221 CD1 LEU A 15 39.670 38.576 -2.527 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.077 37.635 -0.224 1.00 0.00 C ATOM 0 H LEU A 15 40.201 40.248 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 15 37.870 41.840 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.783 39.423 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 15 37.664 40.193 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 15 37.795 37.672 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.184 37.633 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.243 38.949 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.380 39.305 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 15 39.584 36.714 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 39.779 38.289 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.245 37.399 0.440 1.00 0.00 H new ATOM 234 N TYR A 16 38.431 40.044 2.049 1.00 0.00 N ATOM 235 CA TYR A 16 38.175 39.758 3.475 1.00 0.00 C ATOM 236 C TYR A 16 37.428 40.826 4.385 1.00 0.00 C ATOM 237 O TYR A 16 36.742 40.460 5.342 1.00 0.00 O ATOM 238 CB TYR A 16 39.686 39.514 3.850 1.00 0.00 C ATOM 239 CG TYR A 16 40.699 40.706 4.116 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.657 41.961 3.491 1.00 0.00 C ATOM 241 CD2 TYR A 16 41.796 40.440 4.921 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.578 42.945 3.799 1.00 0.00 C ATOM 243 CE2 TYR A 16 42.730 41.413 5.213 1.00 0.00 C ATOM 244 CZ TYR A 16 42.612 42.673 4.667 1.00 0.00 C ATOM 245 OH TYR A 16 43.547 43.634 4.946 1.00 0.00 O ATOM 0 H TYR A 16 39.351 39.708 1.764 1.00 0.00 H new ATOM 0 HA TYR A 16 37.441 38.971 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 16 39.689 38.895 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 16 40.114 38.914 3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 16 39.892 42.162 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 16 41.923 39.448 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.487 43.927 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.556 41.187 5.871 1.00 0.00 H new ATOM 0 HH TYR A 16 44.205 43.276 5.578 1.00 0.00 H new ATOM 255 N LEU A 17 37.610 42.113 4.036 1.00 0.00 N ATOM 256 CA LEU A 17 37.091 43.332 4.681 1.00 0.00 C ATOM 257 C LEU A 17 35.621 43.686 4.298 1.00 0.00 C ATOM 258 O LEU A 17 34.813 43.861 5.215 1.00 0.00 O ATOM 259 CB LEU A 17 38.211 44.431 4.395 1.00 0.00 C ATOM 260 CG LEU A 17 38.810 45.246 5.598 1.00 0.00 C ATOM 261 CD1 LEU A 17 39.687 44.403 6.575 1.00 0.00 C ATOM 262 CD2 LEU A 17 39.638 46.458 5.098 1.00 0.00 C ATOM 0 H LEU A 17 38.176 42.347 3.220 1.00 0.00 H new ATOM 0 HA LEU A 17 36.951 43.221 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.039 43.932 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 37.794 45.148 3.688 1.00 0.00 H new ATOM 0 HG LEU A 17 37.939 45.584 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 17 40.059 45.044 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 17 39.086 43.601 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.529 43.975 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 40.039 47.002 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.459 46.105 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 38.998 47.120 4.515 1.00 0.00 H new ATOM 274 N VAL A 18 35.287 43.789 2.983 1.00 0.00 N ATOM 275 CA VAL A 18 33.911 44.119 2.467 1.00 0.00 C ATOM 276 C VAL A 18 33.017 42.815 2.500 1.00 0.00 C ATOM 277 O VAL A 18 31.949 42.891 3.119 1.00 0.00 O ATOM 278 CB VAL A 18 33.953 44.924 1.091 1.00 0.00 C ATOM 279 CG1 VAL A 18 32.563 45.239 0.451 1.00 0.00 C ATOM 280 CG2 VAL A 18 34.746 46.271 1.134 1.00 0.00 C ATOM 0 H VAL A 18 35.966 43.645 2.236 1.00 0.00 H new ATOM 0 HA VAL A 18 33.416 44.831 3.127 1.00 0.00 H new ATOM 0 HB VAL A 18 34.482 44.202 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 18 32.707 45.788 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 18 32.038 44.306 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 18 31.973 45.842 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.716 46.742 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 18 34.294 46.936 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 35.782 46.075 1.411 1.00 0.00 H new ATOM 290 N SER A 19 33.421 41.684 1.857 1.00 0.00 N ATOM 291 CA SER A 19 32.626 40.421 1.825 1.00 0.00 C ATOM 292 C SER A 19 32.367 39.700 3.189 1.00 0.00 C ATOM 293 O SER A 19 31.206 39.337 3.411 1.00 0.00 O ATOM 294 CB SER A 19 33.232 39.490 0.755 1.00 0.00 C ATOM 295 OG SER A 19 32.407 38.347 0.572 1.00 0.00 O ATOM 0 H SER A 19 34.303 41.621 1.348 1.00 0.00 H new ATOM 0 HA SER A 19 31.610 40.713 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 19 33.335 40.027 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 34.233 39.180 1.057 1.00 0.00 H new ATOM 0 HG SER A 19 32.801 37.765 -0.110 1.00 0.00 H new ATOM 301 N GLY A 20 33.387 39.496 4.064 1.00 0.00 N ATOM 302 CA GLY A 20 33.214 38.828 5.377 1.00 0.00 C ATOM 303 C GLY A 20 34.421 37.950 5.753 1.00 0.00 C ATOM 304 O GLY A 20 35.043 37.325 4.883 1.00 0.00 O ATOM 0 H GLY A 20 34.346 39.789 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.063 39.583 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.314 38.213 5.353 1.00 0.00 H new ATOM 308 N GLU A 21 34.682 37.853 7.077 1.00 0.00 N ATOM 309 CA GLU A 21 35.812 37.053 7.682 1.00 0.00 C ATOM 310 C GLU A 21 36.101 35.630 7.086 1.00 0.00 C ATOM 311 O GLU A 21 37.281 35.273 7.009 1.00 0.00 O ATOM 312 CB GLU A 21 35.669 36.967 9.238 1.00 0.00 C ATOM 313 CG GLU A 21 35.956 38.249 10.054 1.00 0.00 C ATOM 314 CD GLU A 21 35.729 38.042 11.546 1.00 0.00 C ATOM 315 OE1 GLU A 21 36.559 37.528 12.294 1.00 0.00 O ATOM 316 OE2 GLU A 21 34.498 38.495 11.943 1.00 0.00 O ATOM 0 H GLU A 21 34.115 38.329 7.779 1.00 0.00 H new ATOM 0 HA GLU A 21 36.690 37.632 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 34.653 36.644 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 21 36.339 36.185 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 21 36.986 38.563 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 35.315 39.055 9.699 1.00 0.00 H new ATOM 324 N ARG A 22 35.059 34.862 6.681 1.00 0.00 N ATOM 325 CA ARG A 22 35.199 33.507 6.066 1.00 0.00 C ATOM 326 C ARG A 22 35.766 33.537 4.598 1.00 0.00 C ATOM 327 O ARG A 22 36.597 32.668 4.310 1.00 0.00 O ATOM 328 CB ARG A 22 33.830 32.769 6.204 1.00 0.00 C ATOM 329 CG ARG A 22 33.837 31.224 6.032 1.00 0.00 C ATOM 330 CD ARG A 22 32.464 30.523 6.081 1.00 0.00 C ATOM 331 NE ARG A 22 31.932 30.343 7.462 1.00 0.00 N ATOM 332 CZ ARG A 22 30.710 29.856 7.795 1.00 0.00 C ATOM 333 NH1 ARG A 22 29.761 29.448 6.939 1.00 0.00 N ATOM 334 NH2 ARG A 22 30.428 29.776 9.082 1.00 0.00 N ATOM 0 H ARG A 22 34.088 35.163 6.770 1.00 0.00 H new ATOM 0 HA ARG A 22 35.960 32.942 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 22 33.420 32.998 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 22 33.144 33.188 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 22 34.307 30.989 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 22 34.467 30.796 6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.749 31.103 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.547 29.547 5.603 1.00 0.00 H new ATOM 0 HE ARG A 22 32.546 30.612 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.929 29.489 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.871 29.096 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 22 31.116 30.074 9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 22 29.523 29.417 9.384 1.00 0.00 H new ATOM 348 N GLY A 23 35.325 34.471 3.713 1.00 0.00 N ATOM 349 CA GLY A 23 35.810 34.565 2.317 1.00 0.00 C ATOM 350 C GLY A 23 35.138 33.587 1.336 1.00 0.00 C ATOM 351 O GLY A 23 34.237 32.817 1.692 1.00 0.00 O ATOM 0 H GLY A 23 34.626 35.175 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 23 35.652 35.583 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 23 36.885 34.387 2.307 1.00 0.00 H new ATOM 355 N PHE A 24 35.624 33.664 0.085 1.00 0.00 N ATOM 356 CA PHE A 24 35.151 32.823 -1.065 1.00 0.00 C ATOM 357 C PHE A 24 36.225 32.035 -1.868 1.00 0.00 C ATOM 358 O PHE A 24 35.902 30.961 -2.383 1.00 0.00 O ATOM 359 CB PHE A 24 34.220 33.638 -1.998 1.00 0.00 C ATOM 360 CG PHE A 24 34.823 34.826 -2.789 1.00 0.00 C ATOM 361 CD1 PHE A 24 35.440 34.610 -4.016 1.00 0.00 C ATOM 362 CD2 PHE A 24 34.764 36.118 -2.280 1.00 0.00 C ATOM 363 CE1 PHE A 24 35.978 35.669 -4.720 1.00 0.00 C ATOM 364 CE2 PHE A 24 35.304 37.172 -2.991 1.00 0.00 C ATOM 365 CZ PHE A 24 35.910 36.949 -4.209 1.00 0.00 C ATOM 0 H PHE A 24 36.365 34.315 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 24 34.592 32.023 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 24 33.785 32.946 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 24 33.400 34.025 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 24 35.499 33.610 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 24 34.294 36.299 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 24 36.454 35.495 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 24 35.251 38.174 -2.591 1.00 0.00 H new ATOM 0 HZ PHE A 24 36.331 37.775 -4.763 1.00 0.00 H new ATOM 375 N PHE A 25 37.469 32.564 -1.979 1.00 0.00 N ATOM 376 CA PHE A 25 38.638 31.967 -2.714 1.00 0.00 C ATOM 377 C PHE A 25 38.432 32.000 -4.265 1.00 0.00 C ATOM 378 O PHE A 25 39.161 32.753 -4.921 1.00 0.00 O ATOM 379 CB PHE A 25 39.192 30.608 -2.156 1.00 0.00 C ATOM 380 CG PHE A 25 39.734 30.651 -0.711 1.00 0.00 C ATOM 381 CD1 PHE A 25 38.876 30.471 0.370 1.00 0.00 C ATOM 382 CD2 PHE A 25 41.087 30.858 -0.468 1.00 0.00 C ATOM 383 CE1 PHE A 25 39.363 30.506 1.661 1.00 0.00 C ATOM 384 CE2 PHE A 25 41.567 30.893 0.826 1.00 0.00 C ATOM 385 CZ PHE A 25 40.707 30.718 1.890 1.00 0.00 C ATOM 0 H PHE A 25 37.706 33.456 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 25 39.469 32.637 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 25 38.396 29.865 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 25 39.990 30.264 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 25 37.823 30.303 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 25 41.767 30.992 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 25 38.690 30.367 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 25 42.619 31.058 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.085 30.747 2.901 1.00 0.00 H new