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 -74:sc= 0.495 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 49.149 33.093 -4.415 1.00 0.00 N ATOM 119 CA GLY A 8 48.527 34.409 -4.680 1.00 0.00 C ATOM 120 C GLY A 8 47.929 35.033 -3.415 1.00 0.00 C ATOM 121 O GLY A 8 46.724 34.882 -3.187 1.00 0.00 O ATOM 0 HA2 GLY A 8 49.274 35.084 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 47.745 34.295 -5.431 1.00 0.00 H new ATOM 125 N SER A 9 48.783 35.717 -2.628 1.00 0.00 N ATOM 126 CA SER A 9 48.373 36.398 -1.365 1.00 0.00 C ATOM 127 C SER A 9 47.686 37.784 -1.543 1.00 0.00 C ATOM 128 O SER A 9 46.728 38.021 -0.800 1.00 0.00 O ATOM 129 CB SER A 9 49.586 36.470 -0.422 1.00 0.00 C ATOM 130 OG SER A 9 49.194 36.967 0.850 1.00 0.00 O ATOM 0 H SER A 9 49.775 35.818 -2.841 1.00 0.00 H new ATOM 0 HA SER A 9 47.584 35.789 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.029 35.480 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.352 37.116 -0.852 1.00 0.00 H new ATOM 0 HG SER A 9 49.035 37.932 0.789 1.00 0.00 H new ATOM 136 N HIS A 10 48.120 38.679 -2.481 1.00 0.00 N ATOM 137 CA HIS A 10 47.492 40.024 -2.723 1.00 0.00 C ATOM 138 C HIS A 10 45.950 39.976 -3.038 1.00 0.00 C ATOM 139 O HIS A 10 45.205 40.733 -2.401 1.00 0.00 O ATOM 140 CB HIS A 10 48.340 40.800 -3.769 1.00 0.00 C ATOM 141 CG HIS A 10 48.089 42.301 -3.809 1.00 0.00 C ATOM 142 ND1 HIS A 10 47.178 42.917 -4.649 1.00 0.00 N ATOM 143 CD2 HIS A 10 48.727 43.250 -2.995 1.00 0.00 C ATOM 144 CE1 HIS A 10 47.348 44.220 -4.262 1.00 0.00 C ATOM 145 NE2 HIS A 10 48.255 44.520 -3.279 1.00 0.00 N ATOM 0 H HIS A 10 48.915 38.492 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 10 47.513 40.583 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 10 49.396 40.628 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 10 48.140 40.386 -4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 10 49.478 43.022 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 10 46.771 45.005 -4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 10 48.509 45.421 -2.873 1.00 0.00 H new ATOM 154 N LEU A 11 45.490 39.063 -3.944 1.00 0.00 N ATOM 155 CA LEU A 11 44.054 38.855 -4.294 1.00 0.00 C ATOM 156 C LEU A 11 43.274 38.363 -3.025 1.00 0.00 C ATOM 157 O LEU A 11 42.607 39.210 -2.435 1.00 0.00 O ATOM 158 CB LEU A 11 43.993 37.981 -5.611 1.00 0.00 C ATOM 159 CG LEU A 11 42.631 37.400 -6.144 1.00 0.00 C ATOM 160 CD1 LEU A 11 41.651 38.469 -6.700 1.00 0.00 C ATOM 161 CD2 LEU A 11 42.857 36.304 -7.217 1.00 0.00 C ATOM 0 H LEU A 11 46.116 38.443 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 11 43.519 39.767 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 11 44.416 38.585 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 11 44.663 37.134 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 11 42.160 36.966 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 11 40.739 37.982 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 41.406 39.182 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 42.119 38.994 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 11 41.894 35.927 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 11 43.403 36.727 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 43.434 35.486 -6.786 1.00 0.00 H new ATOM 173 N VAL A 12 43.479 37.111 -2.535 1.00 0.00 N ATOM 174 CA VAL A 12 42.830 36.499 -1.308 1.00 0.00 C ATOM 175 C VAL A 12 42.877 37.414 -0.036 1.00 0.00 C ATOM 176 O VAL A 12 42.014 37.205 0.821 1.00 0.00 O ATOM 177 CB VAL A 12 43.316 35.004 -1.031 1.00 0.00 C ATOM 178 CG1 VAL A 12 42.397 34.202 -0.056 1.00 0.00 C ATOM 179 CG2 VAL A 12 43.583 34.076 -2.266 1.00 0.00 C ATOM 0 H VAL A 12 44.122 36.463 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 12 41.770 36.429 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 12 44.282 35.230 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 12 42.798 33.197 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 42.359 34.709 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 12 41.392 34.139 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 43.906 33.094 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 42.667 33.972 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 12 44.361 34.515 -2.890 1.00 0.00 H new ATOM 189 N GLU A 13 43.866 38.329 0.151 1.00 0.00 N ATOM 190 CA GLU A 13 43.857 39.298 1.287 1.00 0.00 C ATOM 191 C GLU A 13 42.771 40.386 0.952 1.00 0.00 C ATOM 192 O GLU A 13 41.735 40.281 1.594 1.00 0.00 O ATOM 193 CB GLU A 13 45.234 39.905 1.680 1.00 0.00 C ATOM 194 CG GLU A 13 46.271 38.955 2.311 1.00 0.00 C ATOM 195 CD GLU A 13 47.577 39.676 2.613 1.00 0.00 C ATOM 196 OE1 GLU A 13 47.839 40.174 3.706 1.00 0.00 O ATOM 197 OE2 GLU A 13 48.411 39.698 1.527 1.00 0.00 O ATOM 0 H GLU A 13 44.675 38.418 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 13 43.603 38.752 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 13 45.678 40.342 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 13 45.055 40.722 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 13 45.866 38.532 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 13 46.462 38.122 1.634 1.00 0.00 H new ATOM 205 N ALA A 14 42.831 41.192 -0.144 1.00 0.00 N ATOM 206 CA ALA A 14 41.836 42.269 -0.491 1.00 0.00 C ATOM 207 C ALA A 14 40.301 42.132 -0.225 1.00 0.00 C ATOM 208 O ALA A 14 39.693 43.146 0.134 1.00 0.00 O ATOM 209 CB ALA A 14 42.006 42.389 -2.030 1.00 0.00 C ATOM 0 H ALA A 14 43.583 41.117 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 14 42.077 43.093 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 14 41.327 43.151 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 14 43.034 42.669 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 14 41.776 41.431 -2.497 1.00 0.00 H new ATOM 215 N LEU A 15 39.704 40.939 -0.387 1.00 0.00 N ATOM 216 CA LEU A 15 38.243 40.669 -0.189 1.00 0.00 C ATOM 217 C LEU A 15 37.690 40.586 1.239 1.00 0.00 C ATOM 218 O LEU A 15 36.536 40.953 1.489 1.00 0.00 O ATOM 219 CB LEU A 15 37.793 39.411 -1.051 1.00 0.00 C ATOM 220 CG LEU A 15 38.590 38.060 -1.213 1.00 0.00 C ATOM 221 CD1 LEU A 15 39.725 38.220 -2.252 1.00 0.00 C ATOM 222 CD2 LEU A 15 39.112 37.469 0.125 1.00 0.00 C ATOM 0 H LEU A 15 40.224 40.107 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 15 37.784 41.591 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.812 39.129 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 15 37.644 39.787 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 15 37.875 37.326 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 40.264 37.278 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.299 38.497 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 40.413 38.999 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 39.649 36.541 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 39.784 38.183 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 15 38.270 37.267 0.787 1.00 0.00 H new ATOM 234 N TYR A 16 38.544 40.124 2.136 1.00 0.00 N ATOM 235 CA TYR A 16 38.335 40.013 3.598 1.00 0.00 C ATOM 236 C TYR A 16 37.565 41.157 4.390 1.00 0.00 C ATOM 237 O TYR A 16 36.909 40.881 5.398 1.00 0.00 O ATOM 238 CB TYR A 16 39.857 39.900 3.975 1.00 0.00 C ATOM 239 CG TYR A 16 40.789 41.183 4.098 1.00 0.00 C ATOM 240 CD1 TYR A 16 40.742 42.294 3.240 1.00 0.00 C ATOM 241 CD2 TYR A 16 41.827 41.124 5.010 1.00 0.00 C ATOM 242 CE1 TYR A 16 41.659 43.319 3.354 1.00 0.00 C ATOM 243 CE2 TYR A 16 42.746 42.149 5.124 1.00 0.00 C ATOM 244 CZ TYR A 16 42.659 43.249 4.299 1.00 0.00 C ATOM 245 OH TYR A 16 43.578 44.260 4.403 1.00 0.00 O ATOM 0 H TYR A 16 39.468 39.790 1.860 1.00 0.00 H new ATOM 0 HA TYR A 16 37.645 39.215 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 16 39.907 39.382 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 16 40.317 39.246 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 16 39.977 42.347 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 16 41.921 40.257 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 16 41.593 44.177 2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 16 43.533 42.088 5.861 1.00 0.00 H new ATOM 0 HH TYR A 16 44.213 44.053 5.120 1.00 0.00 H new ATOM 255 N LEU A 17 37.691 42.402 3.887 1.00 0.00 N ATOM 256 CA LEU A 17 37.133 43.663 4.410 1.00 0.00 C ATOM 257 C LEU A 17 35.634 43.891 4.038 1.00 0.00 C ATOM 258 O LEU A 17 34.851 44.162 4.954 1.00 0.00 O ATOM 259 CB LEU A 17 38.174 44.780 3.955 1.00 0.00 C ATOM 260 CG LEU A 17 38.753 45.764 5.036 1.00 0.00 C ATOM 261 CD1 LEU A 17 39.767 45.103 6.020 1.00 0.00 C ATOM 262 CD2 LEU A 17 39.420 46.997 4.376 1.00 0.00 C ATOM 0 H LEU A 17 38.229 42.563 3.036 1.00 0.00 H new ATOM 0 HA LEU A 17 37.044 43.673 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.017 44.273 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 17 37.695 45.383 3.184 1.00 0.00 H new ATOM 0 HG LEU A 17 37.888 46.072 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 17 40.120 45.848 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 17 39.277 44.290 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.614 44.709 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.810 47.658 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.237 46.668 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 17 38.683 47.534 3.779 1.00 0.00 H new ATOM 274 N VAL A 18 35.246 43.787 2.737 1.00 0.00 N ATOM 275 CA VAL A 18 33.835 43.968 2.241 1.00 0.00 C ATOM 276 C VAL A 18 33.034 42.628 2.503 1.00 0.00 C ATOM 277 O VAL A 18 32.015 42.717 3.196 1.00 0.00 O ATOM 278 CB VAL A 18 33.770 44.572 0.767 1.00 0.00 C ATOM 279 CG1 VAL A 18 32.334 44.723 0.171 1.00 0.00 C ATOM 280 CG2 VAL A 18 34.486 45.949 0.581 1.00 0.00 C ATOM 0 H VAL A 18 35.905 43.573 1.988 1.00 0.00 H new ATOM 0 HA VAL A 18 33.321 44.744 2.808 1.00 0.00 H new ATOM 0 HB VAL A 18 34.312 43.800 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 18 32.399 45.142 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 18 31.854 43.745 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 18 31.745 45.387 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 18 34.385 46.274 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 18 34.030 46.688 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 18 35.543 45.846 0.828 1.00 0.00 H new ATOM 290 N SER A 19 33.465 41.452 1.967 1.00 0.00 N ATOM 291 CA SER A 19 32.762 40.148 2.156 1.00 0.00 C ATOM 292 C SER A 19 32.669 39.578 3.609 1.00 0.00 C ATOM 293 O SER A 19 31.585 39.086 3.942 1.00 0.00 O ATOM 294 CB SER A 19 33.349 39.118 1.172 1.00 0.00 C ATOM 295 OG SER A 19 33.169 39.546 -0.173 1.00 0.00 O ATOM 0 H SER A 19 34.306 41.380 1.394 1.00 0.00 H new ATOM 0 HA SER A 19 31.715 40.359 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 19 34.411 38.978 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 19 32.866 38.152 1.319 1.00 0.00 H new ATOM 0 HG SER A 19 33.550 38.879 -0.782 1.00 0.00 H new ATOM 301 N GLY A 20 33.743 39.635 4.439 1.00 0.00 N ATOM 302 CA GLY A 20 33.737 39.126 5.834 1.00 0.00 C ATOM 303 C GLY A 20 34.700 37.949 6.067 1.00 0.00 C ATOM 304 O GLY A 20 35.151 37.281 5.125 1.00 0.00 O ATOM 0 H GLY A 20 34.638 40.036 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.002 39.940 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.725 38.813 6.093 1.00 0.00 H new ATOM 308 N GLU A 21 34.943 37.684 7.369 1.00 0.00 N ATOM 309 CA GLU A 21 35.853 36.598 7.885 1.00 0.00 C ATOM 310 C GLU A 21 35.982 35.247 7.099 1.00 0.00 C ATOM 311 O GLU A 21 37.112 34.772 6.938 1.00 0.00 O ATOM 312 CB GLU A 21 35.654 36.392 9.420 1.00 0.00 C ATOM 313 CG GLU A 21 34.344 35.770 9.973 1.00 0.00 C ATOM 314 CD GLU A 21 34.365 35.663 11.492 1.00 0.00 C ATOM 315 OE1 GLU A 21 34.740 34.660 12.096 1.00 0.00 O ATOM 316 OE2 GLU A 21 33.919 36.812 12.091 1.00 0.00 O ATOM 0 H GLU A 21 34.510 38.222 8.120 1.00 0.00 H new ATOM 0 HA GLU A 21 36.838 37.013 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 21 36.477 35.769 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 35.770 37.368 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 21 33.494 36.378 9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 21 34.201 34.779 9.541 1.00 0.00 H new ATOM 324 N ARG A 22 34.849 34.673 6.634 1.00 0.00 N ATOM 325 CA ARG A 22 34.819 33.403 5.840 1.00 0.00 C ATOM 326 C ARG A 22 35.344 33.512 4.371 1.00 0.00 C ATOM 327 O ARG A 22 36.047 32.584 3.955 1.00 0.00 O ATOM 328 CB ARG A 22 33.448 32.671 5.969 1.00 0.00 C ATOM 329 CG ARG A 22 32.128 33.271 5.405 1.00 0.00 C ATOM 330 CD ARG A 22 31.838 32.981 3.924 1.00 0.00 C ATOM 331 NE ARG A 22 30.549 33.604 3.515 1.00 0.00 N ATOM 332 CZ ARG A 22 29.351 32.978 3.368 1.00 0.00 C ATOM 333 NH1 ARG A 22 29.112 31.674 3.573 1.00 0.00 N ATOM 334 NH2 ARG A 22 28.329 33.722 2.988 1.00 0.00 N ATOM 0 H ARG A 22 33.923 35.071 6.794 1.00 0.00 H new ATOM 0 HA ARG A 22 35.567 32.762 6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 22 33.571 31.693 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 22 33.284 32.500 7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.296 32.892 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 22 32.154 34.352 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.648 33.368 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.797 31.904 3.759 1.00 0.00 H new ATOM 0 HE ARG A 22 30.567 34.606 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.869 31.057 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.173 31.300 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 22 28.459 34.719 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 27.409 33.299 2.863 1.00 0.00 H new ATOM 348 N GLY A 23 34.997 34.586 3.616 1.00 0.00 N ATOM 349 CA GLY A 23 35.450 34.787 2.217 1.00 0.00 C ATOM 350 C GLY A 23 34.763 33.889 1.165 1.00 0.00 C ATOM 351 O GLY A 23 34.224 32.827 1.501 1.00 0.00 O ATOM 0 H GLY A 23 34.396 35.335 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 23 35.284 35.829 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 23 36.525 34.613 2.172 1.00 0.00 H new ATOM 355 N PHE A 24 34.827 34.339 -0.104 1.00 0.00 N ATOM 356 CA PHE A 24 34.242 33.620 -1.272 1.00 0.00 C ATOM 357 C PHE A 24 35.285 32.639 -1.877 1.00 0.00 C ATOM 358 O PHE A 24 36.452 33.016 -2.041 1.00 0.00 O ATOM 359 CB PHE A 24 33.662 34.606 -2.320 1.00 0.00 C ATOM 360 CG PHE A 24 34.613 35.597 -3.040 1.00 0.00 C ATOM 361 CD1 PHE A 24 35.344 35.185 -4.149 1.00 0.00 C ATOM 362 CD2 PHE A 24 34.753 36.904 -2.587 1.00 0.00 C ATOM 363 CE1 PHE A 24 36.194 36.065 -4.789 1.00 0.00 C ATOM 364 CE2 PHE A 24 35.602 37.779 -3.236 1.00 0.00 C ATOM 365 CZ PHE A 24 36.324 37.361 -4.334 1.00 0.00 C ATOM 0 H PHE A 24 35.286 35.214 -0.357 1.00 0.00 H new ATOM 0 HA PHE A 24 33.397 33.024 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 24 33.165 34.013 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 24 32.891 35.195 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 24 35.246 34.172 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 24 34.195 37.237 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 24 36.759 35.738 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 24 35.701 38.795 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 24 36.990 38.047 -4.837 1.00 0.00 H new ATOM 375 N PHE A 25 34.835 31.413 -2.231 1.00 0.00 N ATOM 376 CA PHE A 25 35.701 30.349 -2.819 1.00 0.00 C ATOM 377 C PHE A 25 35.769 30.537 -4.358 1.00 0.00 C ATOM 378 O PHE A 25 34.723 30.628 -5.012 1.00 0.00 O ATOM 379 CB PHE A 25 35.153 28.935 -2.490 1.00 0.00 C ATOM 380 CG PHE A 25 35.294 28.495 -1.014 1.00 0.00 C ATOM 381 CD1 PHE A 25 36.442 27.846 -0.569 1.00 0.00 C ATOM 382 CD2 PHE A 25 34.268 28.743 -0.109 1.00 0.00 C ATOM 383 CE1 PHE A 25 36.555 27.453 0.750 1.00 0.00 C ATOM 384 CE2 PHE A 25 34.388 28.346 1.208 1.00 0.00 C ATOM 385 CZ PHE A 25 35.529 27.702 1.638 1.00 0.00 C ATOM 0 H PHE A 25 33.862 31.127 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 25 36.698 30.436 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 25 34.098 28.900 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 25 35.669 28.209 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 25 37.249 27.649 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 25 33.372 29.249 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 25 37.449 26.949 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 25 33.585 28.541 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 25 35.619 27.393 2.669 1.00 0.00 H new