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 48.804 34.283 -5.464 1.00 0.00 N ATOM 119 CA GLY A 8 49.619 35.141 -4.572 1.00 0.00 C ATOM 120 C GLY A 8 48.822 35.808 -3.437 1.00 0.00 C ATOM 121 O GLY A 8 47.616 35.583 -3.267 1.00 0.00 O ATOM 0 HA2 GLY A 8 50.416 34.539 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 8 50.097 35.917 -5.170 1.00 0.00 H new ATOM 125 N SER A 9 49.560 36.632 -2.672 1.00 0.00 N ATOM 126 CA SER A 9 49.011 37.396 -1.514 1.00 0.00 C ATOM 127 C SER A 9 48.114 38.626 -1.833 1.00 0.00 C ATOM 128 O SER A 9 47.165 38.823 -1.067 1.00 0.00 O ATOM 129 CB SER A 9 50.170 37.795 -0.591 1.00 0.00 C ATOM 130 OG SER A 9 51.032 38.710 -1.254 1.00 0.00 O ATOM 0 H SER A 9 50.554 36.794 -2.831 1.00 0.00 H new ATOM 0 HA SER A 9 48.315 36.710 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 9 49.780 38.247 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.729 36.908 -0.293 1.00 0.00 H new ATOM 0 HG SER A 9 51.767 38.959 -0.656 1.00 0.00 H new ATOM 136 N HIS A 10 48.366 39.430 -2.907 1.00 0.00 N ATOM 137 CA HIS A 10 47.529 40.622 -3.286 1.00 0.00 C ATOM 138 C HIS A 10 45.991 40.355 -3.449 1.00 0.00 C ATOM 139 O HIS A 10 45.200 41.080 -2.829 1.00 0.00 O ATOM 140 CB HIS A 10 48.174 41.398 -4.466 1.00 0.00 C ATOM 141 CG HIS A 10 48.199 40.720 -5.833 1.00 0.00 C ATOM 142 ND1 HIS A 10 49.246 39.949 -6.305 1.00 0.00 N ATOM 143 CD2 HIS A 10 47.167 40.782 -6.782 1.00 0.00 C ATOM 144 CE1 HIS A 10 48.745 39.601 -7.532 1.00 0.00 C ATOM 145 NE2 HIS A 10 47.507 40.052 -7.908 1.00 0.00 N ATOM 0 H HIS A 10 49.153 39.275 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 10 47.541 41.279 -2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 10 47.647 42.346 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 10 49.202 41.634 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 10 46.241 41.322 -6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 10 49.322 38.976 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 10 46.985 39.895 -8.770 1.00 0.00 H new ATOM 154 N LEU A 11 45.596 39.291 -4.208 1.00 0.00 N ATOM 155 CA LEU A 11 44.180 38.867 -4.410 1.00 0.00 C ATOM 156 C LEU A 11 43.571 38.421 -3.035 1.00 0.00 C ATOM 157 O LEU A 11 42.854 39.241 -2.465 1.00 0.00 O ATOM 158 CB LEU A 11 44.139 37.857 -5.626 1.00 0.00 C ATOM 159 CG LEU A 11 42.832 37.056 -5.979 1.00 0.00 C ATOM 160 CD1 LEU A 11 41.676 37.930 -6.540 1.00 0.00 C ATOM 161 CD2 LEU A 11 43.121 35.894 -6.963 1.00 0.00 C ATOM 0 H LEU A 11 46.262 38.697 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 11 43.508 39.669 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 11 44.417 38.421 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 44.926 37.122 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 11 42.493 36.657 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 40.814 37.298 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 11 41.398 38.683 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 11 42.004 38.423 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 11 42.194 35.364 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 43.538 36.295 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 11 43.835 35.204 -6.512 1.00 0.00 H new ATOM 173 N VAL A 12 43.975 37.263 -2.450 1.00 0.00 N ATOM 174 CA VAL A 12 43.510 36.705 -1.117 1.00 0.00 C ATOM 175 C VAL A 12 43.515 37.745 0.054 1.00 0.00 C ATOM 176 O VAL A 12 42.761 37.508 1.002 1.00 0.00 O ATOM 177 CB VAL A 12 44.224 35.327 -0.738 1.00 0.00 C ATOM 178 CG1 VAL A 12 43.482 34.507 0.363 1.00 0.00 C ATOM 179 CG2 VAL A 12 44.564 34.326 -1.896 1.00 0.00 C ATOM 0 H VAL A 12 44.661 36.655 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 12 42.456 36.469 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 12 45.169 35.731 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 12 44.030 33.586 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 12 43.420 35.098 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 12 42.477 34.263 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 45.045 33.440 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 12 43.646 34.036 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 45.238 34.806 -2.606 1.00 0.00 H new ATOM 189 N GLU A 13 44.371 38.801 0.067 1.00 0.00 N ATOM 190 CA GLU A 13 44.303 39.875 1.102 1.00 0.00 C ATOM 191 C GLU A 13 43.057 40.764 0.737 1.00 0.00 C ATOM 192 O GLU A 13 42.072 40.557 1.431 1.00 0.00 O ATOM 193 CB GLU A 13 45.607 40.689 1.334 1.00 0.00 C ATOM 194 CG GLU A 13 46.794 39.949 1.982 1.00 0.00 C ATOM 195 CD GLU A 13 47.997 40.865 2.150 1.00 0.00 C ATOM 196 OE1 GLU A 13 48.799 41.102 1.248 1.00 0.00 O ATOM 197 OE2 GLU A 13 48.071 41.384 3.415 1.00 0.00 O ATOM 0 H GLU A 13 45.112 38.934 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 13 44.186 39.409 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 13 45.937 41.079 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 13 45.362 41.548 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 13 46.494 39.559 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 13 47.070 39.093 1.366 1.00 0.00 H new ATOM 205 N ALA A 14 42.953 41.471 -0.423 1.00 0.00 N ATOM 206 CA ALA A 14 41.802 42.365 -0.803 1.00 0.00 C ATOM 207 C ALA A 14 40.313 42.054 -0.448 1.00 0.00 C ATOM 208 O ALA A 14 39.581 43.015 -0.186 1.00 0.00 O ATOM 209 CB ALA A 14 41.883 42.359 -2.353 1.00 0.00 C ATOM 0 H ALA A 14 43.678 41.440 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 14 41.957 43.269 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.087 42.982 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 14 42.850 42.752 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 14 41.769 41.339 -2.719 1.00 0.00 H new ATOM 215 N LEU A 15 39.877 40.783 -0.437 1.00 0.00 N ATOM 216 CA LEU A 15 38.475 40.356 -0.125 1.00 0.00 C ATOM 217 C LEU A 15 38.017 40.379 1.340 1.00 0.00 C ATOM 218 O LEU A 15 36.844 40.640 1.628 1.00 0.00 O ATOM 219 CB LEU A 15 38.154 38.954 -0.805 1.00 0.00 C ATOM 220 CG LEU A 15 39.126 37.714 -0.883 1.00 0.00 C ATOM 221 CD1 LEU A 15 40.146 37.899 -2.031 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.828 37.376 0.461 1.00 0.00 C ATOM 0 H LEU A 15 40.491 39.996 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 15 37.877 41.155 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 37.252 38.589 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 15 37.886 39.182 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 15 38.502 36.847 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.809 37.035 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.615 37.993 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.734 38.800 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 15 40.479 36.512 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 15 40.422 38.230 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 39.076 37.148 1.217 1.00 0.00 H new ATOM 234 N TYR A 16 38.968 40.131 2.222 1.00 0.00 N ATOM 235 CA TYR A 16 38.854 40.165 3.697 1.00 0.00 C ATOM 236 C TYR A 16 37.978 41.286 4.405 1.00 0.00 C ATOM 237 O TYR A 16 37.354 41.030 5.439 1.00 0.00 O ATOM 238 CB TYR A 16 40.398 40.283 3.977 1.00 0.00 C ATOM 239 CG TYR A 16 41.173 41.672 3.867 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.953 42.640 2.872 1.00 0.00 C ATOM 241 CD2 TYR A 16 42.289 41.827 4.670 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.819 43.703 2.705 1.00 0.00 C ATOM 243 CE2 TYR A 16 43.143 42.902 4.519 1.00 0.00 C ATOM 244 CZ TYR A 16 42.912 43.838 3.534 1.00 0.00 C ATOM 245 OH TYR A 16 43.769 44.894 3.373 1.00 0.00 O ATOM 0 H TYR A 16 39.911 39.882 1.922 1.00 0.00 H new ATOM 0 HA TYR A 16 38.293 39.327 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 16 40.564 39.910 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 16 40.895 39.591 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 16 40.092 42.551 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 16 42.497 41.091 5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.640 44.428 1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.994 43.009 5.175 1.00 0.00 H new ATOM 0 HH TYR A 16 44.485 44.839 4.040 1.00 0.00 H new ATOM 255 N LEU A 17 37.982 42.491 3.804 1.00 0.00 N ATOM 256 CA LEU A 17 37.298 43.728 4.218 1.00 0.00 C ATOM 257 C LEU A 17 35.794 43.785 3.813 1.00 0.00 C ATOM 258 O LEU A 17 34.965 43.982 4.708 1.00 0.00 O ATOM 259 CB LEU A 17 38.252 44.908 3.719 1.00 0.00 C ATOM 260 CG LEU A 17 39.058 45.822 4.709 1.00 0.00 C ATOM 261 CD1 LEU A 17 38.196 46.816 5.519 1.00 0.00 C ATOM 262 CD2 LEU A 17 40.085 45.104 5.625 1.00 0.00 C ATOM 0 H LEU A 17 38.509 42.635 2.943 1.00 0.00 H new ATOM 0 HA LEU A 17 37.176 43.810 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 38.983 44.455 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 37.635 45.573 3.115 1.00 0.00 H new ATOM 0 HG LEU A 17 39.653 46.405 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 38.838 47.404 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 37.669 47.481 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 17 37.472 46.265 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 17 40.578 45.837 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 17 39.569 44.372 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.830 44.598 5.010 1.00 0.00 H new ATOM 274 N VAL A 18 35.447 43.613 2.508 1.00 0.00 N ATOM 275 CA VAL A 18 34.033 43.629 1.985 1.00 0.00 C ATOM 276 C VAL A 18 33.385 42.212 2.274 1.00 0.00 C ATOM 277 O VAL A 18 32.378 42.193 2.990 1.00 0.00 O ATOM 278 CB VAL A 18 33.932 44.194 0.498 1.00 0.00 C ATOM 279 CG1 VAL A 18 32.506 44.156 -0.136 1.00 0.00 C ATOM 280 CG2 VAL A 18 34.481 45.645 0.301 1.00 0.00 C ATOM 0 H VAL A 18 36.140 43.457 1.775 1.00 0.00 H new ATOM 0 HA VAL A 18 33.419 44.355 2.518 1.00 0.00 H new ATOM 0 HB VAL A 18 34.577 43.484 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 18 32.546 44.562 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 18 32.151 43.126 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 18 31.823 44.753 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.368 45.938 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 33.923 46.334 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 18 35.536 45.675 0.574 1.00 0.00 H new ATOM 290 N SER A 19 33.938 41.088 1.743 1.00 0.00 N ATOM 291 CA SER A 19 33.403 39.712 1.958 1.00 0.00 C ATOM 292 C SER A 19 33.405 39.160 3.422 1.00 0.00 C ATOM 293 O SER A 19 32.379 38.580 3.796 1.00 0.00 O ATOM 294 CB SER A 19 34.109 38.756 0.975 1.00 0.00 C ATOM 295 OG SER A 19 33.828 39.123 -0.370 1.00 0.00 O ATOM 0 H SER A 19 34.769 41.109 1.152 1.00 0.00 H new ATOM 0 HA SER A 19 32.334 39.778 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 19 35.185 38.779 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 33.780 37.733 1.155 1.00 0.00 H new ATOM 0 HG SER A 19 34.285 38.507 -0.980 1.00 0.00 H new ATOM 301 N GLY A 20 34.497 39.325 4.217 1.00 0.00 N ATOM 302 CA GLY A 20 34.575 38.838 5.614 1.00 0.00 C ATOM 303 C GLY A 20 35.052 37.376 5.687 1.00 0.00 C ATOM 304 O GLY A 20 34.543 36.527 4.944 1.00 0.00 O ATOM 0 H GLY A 20 35.344 39.799 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 20 35.257 39.471 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 33.595 38.924 6.084 1.00 0.00 H new ATOM 308 N GLU A 21 35.978 37.092 6.631 1.00 0.00 N ATOM 309 CA GLU A 21 36.583 35.730 6.865 1.00 0.00 C ATOM 310 C GLU A 21 35.640 34.478 6.804 1.00 0.00 C ATOM 311 O GLU A 21 36.098 33.446 6.302 1.00 0.00 O ATOM 312 CB GLU A 21 37.419 35.720 8.189 1.00 0.00 C ATOM 313 CG GLU A 21 38.769 36.480 8.236 1.00 0.00 C ATOM 314 CD GLU A 21 38.620 37.991 8.400 1.00 0.00 C ATOM 315 OE1 GLU A 21 38.460 38.764 7.457 1.00 0.00 O ATOM 316 OE2 GLU A 21 38.687 38.370 9.715 1.00 0.00 O ATOM 0 H GLU A 21 36.341 37.801 7.268 1.00 0.00 H new ATOM 0 HA GLU A 21 37.214 35.597 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 36.787 36.125 8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 21 37.619 34.679 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 21 39.366 36.091 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 39.322 36.276 7.319 1.00 0.00 H new ATOM 324 N ARG A 22 34.378 34.577 7.290 1.00 0.00 N ATOM 325 CA ARG A 22 33.377 33.459 7.260 1.00 0.00 C ATOM 326 C ARG A 22 32.801 33.157 5.831 1.00 0.00 C ATOM 327 O ARG A 22 32.616 31.967 5.554 1.00 0.00 O ATOM 328 CB ARG A 22 32.220 33.685 8.286 1.00 0.00 C ATOM 329 CG ARG A 22 32.564 33.511 9.789 1.00 0.00 C ATOM 330 CD ARG A 22 31.392 33.793 10.739 1.00 0.00 C ATOM 331 NE ARG A 22 31.818 33.609 12.150 1.00 0.00 N ATOM 332 CZ ARG A 22 31.041 33.764 13.253 1.00 0.00 C ATOM 333 NH1 ARG A 22 29.744 34.106 13.266 1.00 0.00 N ATOM 334 NH2 ARG A 22 31.616 33.559 14.423 1.00 0.00 N ATOM 0 H ARG A 22 34.016 35.430 7.716 1.00 0.00 H new ATOM 0 HA ARG A 22 33.937 32.572 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.833 34.694 8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.412 32.995 8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 22 32.914 32.492 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 22 33.390 34.177 10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.031 34.811 10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 22 30.562 33.124 10.512 1.00 0.00 H new ATOM 0 HE ARG A 22 32.789 33.340 12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.253 34.276 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.249 34.196 14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.601 33.297 14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 31.076 33.663 15.282 1.00 0.00 H new ATOM 348 N GLY A 23 32.511 34.173 4.975 1.00 0.00 N ATOM 349 CA GLY A 23 31.972 33.965 3.612 1.00 0.00 C ATOM 350 C GLY A 23 33.069 34.180 2.565 1.00 0.00 C ATOM 351 O GLY A 23 33.202 35.301 2.063 1.00 0.00 O ATOM 0 H GLY A 23 32.645 35.155 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.569 32.956 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.148 34.655 3.431 1.00 0.00 H new ATOM 355 N PHE A 24 33.826 33.105 2.264 1.00 0.00 N ATOM 356 CA PHE A 24 34.933 33.128 1.276 1.00 0.00 C ATOM 357 C PHE A 24 34.348 32.538 -0.038 1.00 0.00 C ATOM 358 O PHE A 24 34.258 31.313 -0.193 1.00 0.00 O ATOM 359 CB PHE A 24 36.137 32.352 1.874 1.00 0.00 C ATOM 360 CG PHE A 24 37.439 32.436 1.046 1.00 0.00 C ATOM 361 CD1 PHE A 24 38.366 33.448 1.277 1.00 0.00 C ATOM 362 CD2 PHE A 24 37.710 31.488 0.064 1.00 0.00 C ATOM 363 CE1 PHE A 24 39.534 33.506 0.543 1.00 0.00 C ATOM 364 CE2 PHE A 24 38.879 31.554 -0.668 1.00 0.00 C ATOM 365 CZ PHE A 24 39.791 32.561 -0.428 1.00 0.00 C ATOM 0 H PHE A 24 33.689 32.192 2.699 1.00 0.00 H new ATOM 0 HA PHE A 24 35.318 34.122 1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 24 36.335 32.733 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 24 35.858 31.304 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 24 38.171 34.192 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 24 37.001 30.696 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 24 40.249 34.294 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 24 39.080 30.816 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 24 40.706 32.609 -1.000 1.00 0.00 H new ATOM 375 N PHE A 25 33.918 33.442 -0.947 1.00 0.00 N ATOM 376 CA PHE A 25 33.323 33.082 -2.266 1.00 0.00 C ATOM 377 C PHE A 25 33.782 34.169 -3.270 1.00 0.00 C ATOM 378 O PHE A 25 33.508 35.358 -3.060 1.00 0.00 O ATOM 379 CB PHE A 25 31.770 33.010 -2.228 1.00 0.00 C ATOM 380 CG PHE A 25 31.195 31.819 -1.426 1.00 0.00 C ATOM 381 CD1 PHE A 25 30.959 30.593 -2.040 1.00 0.00 C ATOM 382 CD2 PHE A 25 30.909 31.959 -0.072 1.00 0.00 C ATOM 383 CE1 PHE A 25 30.451 29.534 -1.313 1.00 0.00 C ATOM 384 CE2 PHE A 25 30.402 30.896 0.648 1.00 0.00 C ATOM 385 CZ PHE A 25 30.174 29.684 0.029 1.00 0.00 C ATOM 0 H PHE A 25 33.972 34.449 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 25 33.660 32.087 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 25 31.388 33.937 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 31.398 32.954 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.174 30.469 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 25 31.085 32.905 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.270 28.586 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 25 30.183 31.013 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.779 28.854 0.595 1.00 0.00 H new