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 49.529 35.618 -6.275 1.00 0.00 N ATOM 119 CA GLY A 8 50.141 36.273 -5.092 1.00 0.00 C ATOM 120 C GLY A 8 49.167 36.503 -3.922 1.00 0.00 C ATOM 121 O GLY A 8 47.975 36.178 -3.990 1.00 0.00 O ATOM 0 HA2 GLY A 8 50.973 35.662 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 8 50.557 37.233 -5.397 1.00 0.00 H new ATOM 125 N SER A 9 49.744 37.080 -2.853 1.00 0.00 N ATOM 126 CA SER A 9 49.012 37.411 -1.596 1.00 0.00 C ATOM 127 C SER A 9 48.114 38.679 -1.619 1.00 0.00 C ATOM 128 O SER A 9 47.107 38.641 -0.905 1.00 0.00 O ATOM 129 CB SER A 9 50.025 37.496 -0.443 1.00 0.00 C ATOM 130 OG SER A 9 50.694 36.253 -0.268 1.00 0.00 O ATOM 0 H SER A 9 50.731 37.334 -2.826 1.00 0.00 H new ATOM 0 HA SER A 9 48.297 36.599 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.753 38.280 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 9 49.512 37.771 0.479 1.00 0.00 H new ATOM 0 HG SER A 9 51.336 36.328 0.469 1.00 0.00 H new ATOM 136 N HIS A 10 48.426 39.766 -2.384 1.00 0.00 N ATOM 137 CA HIS A 10 47.587 41.011 -2.460 1.00 0.00 C ATOM 138 C HIS A 10 46.115 40.752 -2.952 1.00 0.00 C ATOM 139 O HIS A 10 45.195 41.174 -2.242 1.00 0.00 O ATOM 140 CB HIS A 10 48.367 42.108 -3.238 1.00 0.00 C ATOM 141 CG HIS A 10 47.828 43.520 -3.055 1.00 0.00 C ATOM 142 ND1 HIS A 10 46.888 44.109 -3.881 1.00 0.00 N ATOM 143 CD2 HIS A 10 48.191 44.396 -2.020 1.00 0.00 C ATOM 144 CE1 HIS A 10 46.758 45.323 -3.259 1.00 0.00 C ATOM 145 NE2 HIS A 10 47.499 45.590 -2.138 1.00 0.00 N ATOM 0 H HIS A 10 49.263 39.808 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 10 47.423 41.391 -1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 10 49.410 42.087 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 10 48.352 41.862 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 10 48.907 44.171 -1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 10 46.076 46.064 -3.650 1.00 0.00 H new ATOM 0 HE2 HIS A 10 47.532 46.428 -1.557 1.00 0.00 H new ATOM 154 N LEU A 11 45.908 40.046 -4.097 1.00 0.00 N ATOM 155 CA LEU A 11 44.562 39.663 -4.638 1.00 0.00 C ATOM 156 C LEU A 11 43.667 38.836 -3.653 1.00 0.00 C ATOM 157 O LEU A 11 42.476 39.140 -3.595 1.00 0.00 O ATOM 158 CB LEU A 11 44.796 38.968 -6.039 1.00 0.00 C ATOM 159 CG LEU A 11 43.637 38.291 -6.867 1.00 0.00 C ATOM 160 CD1 LEU A 11 42.569 39.281 -7.404 1.00 0.00 C ATOM 161 CD2 LEU A 11 44.184 37.436 -8.039 1.00 0.00 C ATOM 0 H LEU A 11 46.677 39.720 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 11 43.962 40.564 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 45.240 39.723 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 11 45.552 38.199 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 11 43.137 37.646 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 11 41.810 38.731 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 42.100 39.800 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 11 43.045 40.009 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 43.352 36.988 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 44.759 38.070 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 11 44.826 36.648 -7.646 1.00 0.00 H new ATOM 173 N VAL A 12 44.230 37.838 -2.938 1.00 0.00 N ATOM 174 CA VAL A 12 43.503 36.963 -1.956 1.00 0.00 C ATOM 175 C VAL A 12 43.331 37.720 -0.602 1.00 0.00 C ATOM 176 O VAL A 12 42.239 37.567 -0.042 1.00 0.00 O ATOM 177 CB VAL A 12 44.134 35.506 -1.880 1.00 0.00 C ATOM 178 CG1 VAL A 12 43.338 34.509 -0.986 1.00 0.00 C ATOM 179 CG2 VAL A 12 44.392 34.788 -3.249 1.00 0.00 C ATOM 0 H VAL A 12 45.219 37.603 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 12 42.488 36.765 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 12 45.098 35.741 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 12 43.836 33.540 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 43.294 34.891 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 12 42.326 34.398 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 44.823 33.803 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 43.450 34.678 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 12 45.083 35.382 -3.847 1.00 0.00 H new ATOM 189 N GLU A 13 44.316 38.481 -0.045 1.00 0.00 N ATOM 190 CA GLU A 13 44.079 39.256 1.225 1.00 0.00 C ATOM 191 C GLU A 13 43.009 40.400 1.081 1.00 0.00 C ATOM 192 O GLU A 13 42.352 40.747 2.066 1.00 0.00 O ATOM 193 CB GLU A 13 45.291 39.830 1.998 1.00 0.00 C ATOM 194 CG GLU A 13 46.410 38.855 2.414 1.00 0.00 C ATOM 195 CD GLU A 13 47.528 39.567 3.164 1.00 0.00 C ATOM 196 OE1 GLU A 13 48.430 40.189 2.605 1.00 0.00 O ATOM 197 OE2 GLU A 13 47.402 39.429 4.521 1.00 0.00 O ATOM 0 H GLU A 13 45.254 38.578 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 13 43.712 38.433 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 13 45.739 40.611 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 13 44.914 40.311 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 13 45.992 38.069 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 13 46.818 38.370 1.527 1.00 0.00 H new ATOM 205 N ALA A 14 42.878 40.972 -0.134 1.00 0.00 N ATOM 206 CA ALA A 14 41.885 42.014 -0.508 1.00 0.00 C ATOM 207 C ALA A 14 40.381 41.742 -0.179 1.00 0.00 C ATOM 208 O ALA A 14 39.735 42.631 0.385 1.00 0.00 O ATOM 209 CB ALA A 14 42.024 42.103 -2.053 1.00 0.00 C ATOM 0 H ALA A 14 43.482 40.714 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 14 42.109 42.908 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.330 42.850 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 43.044 42.389 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 14 41.796 41.133 -2.495 1.00 0.00 H new ATOM 215 N LEU A 15 39.868 40.534 -0.523 1.00 0.00 N ATOM 216 CA LEU A 15 38.447 40.137 -0.353 1.00 0.00 C ATOM 217 C LEU A 15 37.807 39.799 0.970 1.00 0.00 C ATOM 218 O LEU A 15 36.598 40.036 1.128 1.00 0.00 O ATOM 219 CB LEU A 15 38.081 39.042 -1.424 1.00 0.00 C ATOM 220 CG LEU A 15 38.807 37.647 -1.579 1.00 0.00 C ATOM 221 CD1 LEU A 15 40.035 37.812 -2.487 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.191 36.877 -0.280 1.00 0.00 C ATOM 0 H LEU A 15 40.440 39.796 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 15 37.994 41.121 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 15 37.026 38.815 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 15 38.165 39.532 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 15 38.046 37.004 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.538 36.851 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.718 38.169 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.721 38.533 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 39.681 35.940 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 15 39.870 37.486 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.291 36.666 0.297 1.00 0.00 H new ATOM 234 N TYR A 16 38.589 39.278 1.896 1.00 0.00 N ATOM 235 CA TYR A 16 38.098 38.961 3.258 1.00 0.00 C ATOM 236 C TYR A 16 37.560 40.197 4.086 1.00 0.00 C ATOM 237 O TYR A 16 36.670 40.041 4.927 1.00 0.00 O ATOM 238 CB TYR A 16 39.254 38.154 3.880 1.00 0.00 C ATOM 239 CG TYR A 16 40.558 38.868 4.348 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.575 39.800 5.379 1.00 0.00 C ATOM 241 CD2 TYR A 16 41.762 38.479 3.793 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.760 40.177 5.975 1.00 0.00 C ATOM 243 CE2 TYR A 16 42.948 38.806 4.434 1.00 0.00 C ATOM 244 CZ TYR A 16 42.947 39.642 5.530 1.00 0.00 C ATOM 245 OH TYR A 16 44.128 40.005 6.121 1.00 0.00 O ATOM 0 H TYR A 16 39.574 39.058 1.746 1.00 0.00 H new ATOM 0 HA TYR A 16 37.178 38.376 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 16 38.849 37.626 4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 16 39.546 37.397 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 16 39.647 40.235 5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 16 41.780 37.924 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.756 40.889 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.881 38.402 4.071 1.00 0.00 H new ATOM 0 HH TYR A 16 44.870 39.534 5.687 1.00 0.00 H new ATOM 255 N LEU A 17 38.142 41.385 3.796 1.00 0.00 N ATOM 256 CA LEU A 17 37.824 42.704 4.410 1.00 0.00 C ATOM 257 C LEU A 17 36.451 43.298 3.950 1.00 0.00 C ATOM 258 O LEU A 17 35.702 43.739 4.827 1.00 0.00 O ATOM 259 CB LEU A 17 39.029 43.697 4.173 1.00 0.00 C ATOM 260 CG LEU A 17 40.423 43.457 4.868 1.00 0.00 C ATOM 261 CD1 LEU A 17 41.556 44.276 4.207 1.00 0.00 C ATOM 262 CD2 LEU A 17 40.441 43.674 6.404 1.00 0.00 C ATOM 0 H LEU A 17 38.880 41.457 3.096 1.00 0.00 H new ATOM 0 HA LEU A 17 37.700 42.551 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.209 43.731 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 17 38.689 44.689 4.471 1.00 0.00 H new ATOM 0 HG LEU A 17 40.604 42.394 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 42.496 44.077 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 17 41.648 43.990 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 41.324 45.339 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.444 43.484 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.155 44.701 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 17 39.737 42.989 6.877 1.00 0.00 H new ATOM 274 N VAL A 18 36.128 43.309 2.625 1.00 0.00 N ATOM 275 CA VAL A 18 34.837 43.834 2.055 1.00 0.00 C ATOM 276 C VAL A 18 33.726 42.720 2.234 1.00 0.00 C ATOM 277 O VAL A 18 32.724 43.033 2.886 1.00 0.00 O ATOM 278 CB VAL A 18 35.016 44.460 0.600 1.00 0.00 C ATOM 279 CG1 VAL A 18 33.702 44.952 -0.083 1.00 0.00 C ATOM 280 CG2 VAL A 18 36.046 45.632 0.503 1.00 0.00 C ATOM 0 H VAL A 18 36.760 42.951 1.909 1.00 0.00 H new ATOM 0 HA VAL A 18 34.484 44.703 2.610 1.00 0.00 H new ATOM 0 HB VAL A 18 35.398 43.590 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 18 33.934 45.360 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 33.012 44.115 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 18 33.241 45.726 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 18 36.095 45.989 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 18 35.732 46.447 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 18 37.030 45.278 0.812 1.00 0.00 H new ATOM 290 N SER A 19 33.892 41.488 1.675 1.00 0.00 N ATOM 291 CA SER A 19 32.893 40.385 1.786 1.00 0.00 C ATOM 292 C SER A 19 32.641 39.795 3.213 1.00 0.00 C ATOM 293 O SER A 19 31.460 39.624 3.538 1.00 0.00 O ATOM 294 CB SER A 19 33.235 39.296 0.751 1.00 0.00 C ATOM 295 OG SER A 19 33.181 39.821 -0.569 1.00 0.00 O ATOM 0 H SER A 19 34.719 41.232 1.136 1.00 0.00 H new ATOM 0 HA SER A 19 31.927 40.841 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 19 34.231 38.899 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 19 32.536 38.465 0.846 1.00 0.00 H new ATOM 0 HG SER A 19 33.403 39.115 -1.211 1.00 0.00 H new ATOM 301 N GLY A 20 33.684 39.492 4.031 1.00 0.00 N ATOM 302 CA GLY A 20 33.523 38.942 5.397 1.00 0.00 C ATOM 303 C GLY A 20 34.420 37.713 5.578 1.00 0.00 C ATOM 304 O GLY A 20 34.165 36.688 4.935 1.00 0.00 O ATOM 0 H GLY A 20 34.658 39.623 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.779 39.701 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.481 38.670 5.568 1.00 0.00 H new ATOM 308 N GLU A 21 35.421 37.813 6.482 1.00 0.00 N ATOM 309 CA GLU A 21 36.408 36.722 6.806 1.00 0.00 C ATOM 310 C GLU A 21 35.862 35.248 6.904 1.00 0.00 C ATOM 311 O GLU A 21 36.549 34.350 6.407 1.00 0.00 O ATOM 312 CB GLU A 21 37.221 37.169 8.069 1.00 0.00 C ATOM 313 CG GLU A 21 38.588 36.500 8.361 1.00 0.00 C ATOM 314 CD GLU A 21 39.736 36.965 7.466 1.00 0.00 C ATOM 315 OE1 GLU A 21 40.423 37.957 7.706 1.00 0.00 O ATOM 316 OE2 GLU A 21 39.904 36.144 6.382 1.00 0.00 O ATOM 0 H GLU A 21 35.580 38.663 7.024 1.00 0.00 H new ATOM 0 HA GLU A 21 37.054 36.624 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 21 37.391 38.242 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 21 36.586 37.013 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 21 38.856 36.692 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 21 38.478 35.421 8.255 1.00 0.00 H new ATOM 324 N ARG A 22 34.674 35.033 7.518 1.00 0.00 N ATOM 325 CA ARG A 22 34.028 33.686 7.649 1.00 0.00 C ATOM 326 C ARG A 22 33.421 33.130 6.313 1.00 0.00 C ATOM 327 O ARG A 22 33.528 31.913 6.127 1.00 0.00 O ATOM 328 CB ARG A 22 32.955 33.674 8.785 1.00 0.00 C ATOM 329 CG ARG A 22 33.471 33.683 10.252 1.00 0.00 C ATOM 330 CD ARG A 22 32.393 33.746 11.355 1.00 0.00 C ATOM 331 NE ARG A 22 31.836 35.114 11.564 1.00 0.00 N ATOM 332 CZ ARG A 22 31.107 35.534 12.629 1.00 0.00 C ATOM 333 NH1 ARG A 22 30.744 34.788 13.682 1.00 0.00 N ATOM 334 NH2 ARG A 22 30.717 36.795 12.626 1.00 0.00 N ATOM 0 H ARG A 22 34.128 35.784 7.940 1.00 0.00 H new ATOM 0 HA ARG A 22 34.839 33.009 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 22 32.310 34.542 8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 22 32.332 32.789 8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 34.070 32.786 10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 22 34.137 34.537 10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.580 33.067 11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.821 33.390 12.292 1.00 0.00 H new ATOM 0 HE ARG A 22 32.021 35.802 10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 22 31.019 33.807 13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.193 35.201 14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 22 30.966 37.404 11.847 1.00 0.00 H new ATOM 0 HH22 ARG A 22 30.167 37.160 13.403 1.00 0.00 H new ATOM 348 N GLY A 23 32.797 33.964 5.438 1.00 0.00 N ATOM 349 CA GLY A 23 32.204 33.509 4.163 1.00 0.00 C ATOM 350 C GLY A 23 33.207 33.674 3.020 1.00 0.00 C ATOM 351 O GLY A 23 33.219 34.735 2.385 1.00 0.00 O ATOM 0 H GLY A 23 32.694 34.966 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.906 32.464 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.302 34.082 3.949 1.00 0.00 H new ATOM 355 N PHE A 24 34.022 32.625 2.785 1.00 0.00 N ATOM 356 CA PHE A 24 35.055 32.608 1.719 1.00 0.00 C ATOM 357 C PHE A 24 34.420 31.868 0.510 1.00 0.00 C ATOM 358 O PHE A 24 34.246 30.643 0.551 1.00 0.00 O ATOM 359 CB PHE A 24 36.339 31.934 2.275 1.00 0.00 C ATOM 360 CG PHE A 24 37.578 32.046 1.357 1.00 0.00 C ATOM 361 CD1 PHE A 24 38.452 33.123 1.469 1.00 0.00 C ATOM 362 CD2 PHE A 24 37.839 31.065 0.405 1.00 0.00 C ATOM 363 CE1 PHE A 24 39.557 33.215 0.647 1.00 0.00 C ATOM 364 CE2 PHE A 24 38.946 31.165 -0.415 1.00 0.00 C ATOM 365 CZ PHE A 24 39.804 32.238 -0.295 1.00 0.00 C ATOM 0 H PHE A 24 33.985 31.762 3.328 1.00 0.00 H new ATOM 0 HA PHE A 24 35.362 33.601 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 24 36.578 32.380 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 36.131 30.879 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 24 38.265 33.892 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 24 37.172 30.221 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 24 40.230 34.054 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 24 39.140 30.400 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 24 40.669 32.313 -0.938 1.00 0.00 H new ATOM 375 N PHE A 25 34.048 32.647 -0.529 1.00 0.00 N ATOM 376 CA PHE A 25 33.426 32.134 -1.779 1.00 0.00 C ATOM 377 C PHE A 25 34.107 32.914 -2.933 1.00 0.00 C ATOM 378 O PHE A 25 33.961 34.141 -3.016 1.00 0.00 O ATOM 379 CB PHE A 25 31.885 32.335 -1.743 1.00 0.00 C ATOM 380 CG PHE A 25 31.109 31.614 -2.868 1.00 0.00 C ATOM 381 CD1 PHE A 25 30.664 30.305 -2.704 1.00 0.00 C ATOM 382 CD2 PHE A 25 30.842 32.269 -4.065 1.00 0.00 C ATOM 383 CE1 PHE A 25 29.971 29.671 -3.716 1.00 0.00 C ATOM 384 CE2 PHE A 25 30.147 31.629 -5.072 1.00 0.00 C ATOM 385 CZ PHE A 25 29.712 30.331 -4.899 1.00 0.00 C ATOM 0 H PHE A 25 34.170 33.660 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 25 33.573 31.062 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 25 31.510 31.986 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 25 31.671 33.402 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.862 29.782 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 25 31.180 33.285 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 25 29.631 28.655 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 25 29.943 32.146 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.170 29.833 -5.689 1.00 0.00 H new