USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 135 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 12 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.5) USER MOD Single : A 21 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N VAL A 8 6.395 4.053 -11.805 1.00 35.41 N ATOM 134 CA VAL A 8 7.285 5.159 -12.135 1.00 22.21 C ATOM 135 C VAL A 8 8.556 5.111 -11.294 1.00 32.03 C ATOM 136 O VAL A 8 9.489 5.883 -11.516 1.00 51.03 O ATOM 137 CB VAL A 8 6.594 6.519 -11.923 1.00 75.44 C ATOM 138 CG1 VAL A 8 7.424 7.640 -12.529 1.00 12.10 C ATOM 139 CG2 VAL A 8 5.193 6.501 -12.516 1.00 53.33 C ATOM 0 HA VAL A 8 7.545 5.052 -13.188 1.00 22.21 H new ATOM 0 HB VAL A 8 6.509 6.702 -10.852 1.00 75.44 H new ATOM 0 HG11 VAL A 8 6.920 8.593 -12.369 1.00 12.10 H new ATOM 0 HG12 VAL A 8 8.405 7.664 -12.054 1.00 12.10 H new ATOM 0 HG13 VAL A 8 7.543 7.467 -13.599 1.00 12.10 H new ATOM 0 HG21 VAL A 8 4.718 7.469 -12.358 1.00 53.33 H new ATOM 0 HG22 VAL A 8 5.253 6.297 -13.585 1.00 53.33 H new ATOM 0 HG23 VAL A 8 4.602 5.724 -12.031 1.00 53.33 H new ATOM 149 N ILE A 9 8.585 4.200 -10.327 1.00 71.43 N ATOM 150 CA ILE A 9 9.742 4.050 -9.454 1.00 0.04 C ATOM 151 C ILE A 9 11.028 3.919 -10.262 1.00 42.33 C ATOM 152 O ILE A 9 12.100 4.326 -9.813 1.00 53.31 O ATOM 153 CB ILE A 9 9.599 2.822 -8.535 1.00 62.14 C ATOM 154 CG1 ILE A 9 10.846 2.662 -7.664 1.00 25.41 C ATOM 155 CG2 ILE A 9 9.359 1.567 -9.362 1.00 43.52 C ATOM 156 CD1 ILE A 9 10.539 2.282 -6.232 1.00 73.24 C ATOM 0 H ILE A 9 7.820 3.555 -10.129 1.00 71.43 H new ATOM 0 HA ILE A 9 9.792 4.949 -8.840 1.00 0.04 H new ATOM 0 HB ILE A 9 8.740 2.973 -7.882 1.00 62.14 H new ATOM 0 HG12 ILE A 9 11.491 1.901 -8.103 1.00 25.41 H new ATOM 0 HG13 ILE A 9 11.406 3.597 -7.671 1.00 25.41 H new ATOM 0 HG21 ILE A 9 9.260 0.708 -8.699 1.00 43.52 H new ATOM 0 HG22 ILE A 9 8.445 1.684 -9.944 1.00 43.52 H new ATOM 0 HG23 ILE A 9 10.200 1.409 -10.037 1.00 43.52 H new ATOM 0 HD11 ILE A 9 11.470 2.186 -5.673 1.00 73.24 H new ATOM 0 HD12 ILE A 9 9.920 3.054 -5.775 1.00 73.24 H new ATOM 0 HD13 ILE A 9 10.005 1.332 -6.214 1.00 73.24 H new ATOM 168 N TRP A 10 10.914 3.351 -11.457 1.00 52.01 N ATOM 169 CA TRP A 10 12.068 3.168 -12.330 1.00 51.40 C ATOM 170 C TRP A 10 12.766 4.498 -12.594 1.00 63.33 C ATOM 171 O TRP A 10 13.991 4.595 -12.508 1.00 63.32 O ATOM 172 CB TRP A 10 11.637 2.533 -13.653 1.00 22.42 C ATOM 173 CG TRP A 10 11.811 1.044 -13.681 1.00 4.20 C ATOM 174 CD1 TRP A 10 10.823 0.105 -13.755 1.00 20.42 C ATOM 175 CD2 TRP A 10 13.049 0.325 -13.634 1.00 14.23 C ATOM 176 NE1 TRP A 10 11.371 -1.155 -13.756 1.00 64.33 N ATOM 177 CE2 TRP A 10 12.735 -1.047 -13.684 1.00 31.23 C ATOM 178 CE3 TRP A 10 14.391 0.707 -13.556 1.00 74.13 C ATOM 179 CZ2 TRP A 10 13.715 -2.036 -13.657 1.00 50.12 C ATOM 180 CZ3 TRP A 10 15.362 -0.276 -13.530 1.00 0.42 C ATOM 181 CH2 TRP A 10 15.021 -1.634 -13.581 1.00 13.40 C ATOM 0 H TRP A 10 10.034 3.009 -11.844 1.00 52.01 H new ATOM 0 HA TRP A 10 12.771 2.503 -11.828 1.00 51.40 H new ATOM 0 HB2 TRP A 10 10.590 2.773 -13.839 1.00 22.42 H new ATOM 0 HB3 TRP A 10 12.215 2.975 -14.465 1.00 22.42 H new ATOM 0 HD1 TRP A 10 9.766 0.321 -13.805 1.00 20.42 H new ATOM 0 HE1 TRP A 10 10.847 -2.029 -13.803 1.00 64.33 H new ATOM 0 HE3 TRP A 10 14.664 1.751 -13.517 1.00 74.13 H new ATOM 0 HZ2 TRP A 10 13.454 -3.083 -13.695 1.00 50.12 H new ATOM 0 HZ3 TRP A 10 16.402 0.008 -13.469 1.00 0.42 H new ATOM 0 HH2 TRP A 10 15.804 -2.378 -13.560 1.00 13.40 H new ATOM 192 N LEU A 11 11.981 5.520 -12.916 1.00 22.20 N ATOM 193 CA LEU A 11 12.525 6.845 -13.193 1.00 20.23 C ATOM 194 C LEU A 11 12.906 7.558 -11.899 1.00 65.13 C ATOM 195 O LEU A 11 13.841 8.360 -11.873 1.00 35.32 O ATOM 196 CB LEU A 11 11.508 7.683 -13.970 1.00 24.13 C ATOM 197 CG LEU A 11 11.501 7.493 -15.487 1.00 22.41 C ATOM 198 CD1 LEU A 11 10.191 7.987 -16.081 1.00 22.33 C ATOM 199 CD2 LEU A 11 12.682 8.214 -16.121 1.00 32.15 C ATOM 0 H LEU A 11 10.966 5.457 -12.992 1.00 22.20 H new ATOM 0 HA LEU A 11 13.424 6.723 -13.798 1.00 20.23 H new ATOM 0 HB2 LEU A 11 10.512 7.453 -13.591 1.00 24.13 H new ATOM 0 HB3 LEU A 11 11.696 8.735 -13.757 1.00 24.13 H new ATOM 0 HG LEU A 11 11.594 6.428 -15.701 1.00 22.41 H new ATOM 0 HD11 LEU A 11 10.204 7.844 -17.161 1.00 22.33 H new ATOM 0 HD12 LEU A 11 9.362 7.425 -15.651 1.00 22.33 H new ATOM 0 HD13 LEU A 11 10.067 9.046 -15.857 1.00 22.33 H new ATOM 0 HD21 LEU A 11 12.661 8.068 -17.201 1.00 32.15 H new ATOM 0 HD22 LEU A 11 12.620 9.279 -15.898 1.00 32.15 H new ATOM 0 HD23 LEU A 11 13.612 7.812 -15.719 1.00 32.15 H new ATOM 211 N TYR A 12 12.179 7.259 -10.829 1.00 24.03 N ATOM 212 CA TYR A 12 12.441 7.871 -9.532 1.00 2.44 C ATOM 213 C TYR A 12 13.640 7.217 -8.852 1.00 62.12 C ATOM 214 O TYR A 12 14.110 7.682 -7.814 1.00 32.03 O ATOM 215 CB TYR A 12 11.208 7.760 -8.633 1.00 62.03 C ATOM 216 CG TYR A 12 9.993 8.473 -9.182 1.00 10.02 C ATOM 217 CD1 TYR A 12 10.122 9.656 -9.899 1.00 13.13 C ATOM 218 CD2 TYR A 12 8.716 7.963 -8.984 1.00 32.23 C ATOM 219 CE1 TYR A 12 9.014 10.311 -10.401 1.00 10.11 C ATOM 220 CE2 TYR A 12 7.602 8.610 -9.483 1.00 44.35 C ATOM 221 CZ TYR A 12 7.757 9.784 -10.191 1.00 13.31 C ATOM 222 OH TYR A 12 6.651 10.433 -10.691 1.00 11.03 O ATOM 0 H TYR A 12 11.403 6.597 -10.834 1.00 24.03 H new ATOM 0 HA TYR A 12 12.669 8.924 -9.696 1.00 2.44 H new ATOM 0 HB2 TYR A 12 10.967 6.707 -8.489 1.00 62.03 H new ATOM 0 HB3 TYR A 12 11.446 8.169 -7.651 1.00 62.03 H new ATOM 0 HD1 TYR A 12 11.105 10.071 -10.067 1.00 13.13 H new ATOM 0 HD2 TYR A 12 8.592 7.044 -8.430 1.00 32.23 H new ATOM 0 HE1 TYR A 12 9.132 11.231 -10.955 1.00 10.11 H new ATOM 0 HE2 TYR A 12 6.616 8.200 -9.320 1.00 44.35 H new ATOM 0 HH TYR A 12 5.843 9.930 -10.457 1.00 11.03 H new ATOM 232 N SER A 13 14.131 6.134 -9.447 1.00 41.42 N ATOM 233 CA SER A 13 15.273 5.413 -8.899 1.00 65.42 C ATOM 234 C SER A 13 16.335 5.182 -9.970 1.00 61.04 C ATOM 235 O SER A 13 17.127 4.244 -9.883 1.00 40.21 O ATOM 236 CB SER A 13 14.824 4.072 -8.314 1.00 12.52 C ATOM 237 OG SER A 13 15.381 3.865 -7.028 1.00 2.14 O ATOM 0 H SER A 13 13.755 5.737 -10.308 1.00 41.42 H new ATOM 0 HA SER A 13 15.708 6.021 -8.105 1.00 65.42 H new ATOM 0 HB2 SER A 13 13.736 4.045 -8.251 1.00 12.52 H new ATOM 0 HB3 SER A 13 15.125 3.262 -8.979 1.00 12.52 H new ATOM 0 HG SER A 13 15.078 3.002 -6.675 1.00 2.14 H new ATOM 243 N ALA A 14 16.344 6.045 -10.981 1.00 1.11 N ATOM 244 CA ALA A 14 17.309 5.938 -12.068 1.00 74.15 C ATOM 245 C ALA A 14 18.226 7.155 -12.110 1.00 43.05 C ATOM 246 O ALA A 14 19.417 7.038 -12.403 1.00 35.11 O ATOM 247 CB ALA A 14 16.588 5.771 -13.398 1.00 43.53 C ATOM 0 H ALA A 14 15.694 6.826 -11.070 1.00 1.11 H new ATOM 0 HA ALA A 14 17.926 5.058 -11.888 1.00 74.15 H new ATOM 0 HB1 ALA A 14 17.320 5.692 -14.201 1.00 43.53 H new ATOM 0 HB2 ALA A 14 15.980 4.867 -13.371 1.00 43.53 H new ATOM 0 HB3 ALA A 14 15.947 6.634 -13.575 1.00 43.53 H new ATOM 253 N PHE A 15 17.665 8.323 -11.817 1.00 44.52 N ATOM 254 CA PHE A 15 18.433 9.563 -11.823 1.00 44.12 C ATOM 255 C PHE A 15 19.189 9.741 -10.510 1.00 25.13 C ATOM 256 O PHE A 15 19.888 10.735 -10.313 1.00 43.11 O ATOM 257 CB PHE A 15 17.509 10.759 -12.059 1.00 0.55 C ATOM 258 CG PHE A 15 17.723 11.430 -13.385 1.00 53.33 C ATOM 259 CD1 PHE A 15 17.016 11.022 -14.505 1.00 22.31 C ATOM 260 CD2 PHE A 15 18.631 12.469 -13.513 1.00 13.10 C ATOM 261 CE1 PHE A 15 17.210 11.637 -15.727 1.00 41.03 C ATOM 262 CE2 PHE A 15 18.829 13.088 -14.733 1.00 14.55 C ATOM 263 CZ PHE A 15 18.118 12.671 -15.841 1.00 44.23 C ATOM 0 H PHE A 15 16.681 8.437 -11.572 1.00 44.52 H new ATOM 0 HA PHE A 15 19.158 9.508 -12.635 1.00 44.12 H new ATOM 0 HB2 PHE A 15 16.473 10.426 -11.992 1.00 0.55 H new ATOM 0 HB3 PHE A 15 17.661 11.488 -11.263 1.00 0.55 H new ATOM 0 HD1 PHE A 15 16.305 10.214 -14.422 1.00 22.31 H new ATOM 0 HD2 PHE A 15 19.190 12.799 -12.650 1.00 13.10 H new ATOM 0 HE1 PHE A 15 16.652 11.309 -16.592 1.00 41.03 H new ATOM 0 HE2 PHE A 15 19.539 13.897 -14.820 1.00 14.55 H new ATOM 0 HZ PHE A 15 18.272 13.153 -16.795 1.00 44.23 H new ATOM 273 N ARG A 16 19.043 8.770 -9.614 1.00 4.22 N ATOM 274 CA ARG A 16 19.710 8.819 -8.318 1.00 43.53 C ATOM 275 C ARG A 16 20.759 7.717 -8.205 1.00 3.24 C ATOM 276 O ARG A 16 21.871 7.951 -7.733 1.00 64.32 O ATOM 277 CB ARG A 16 18.688 8.683 -7.189 1.00 14.52 C ATOM 278 CG ARG A 16 18.218 10.016 -6.628 1.00 44.14 C ATOM 279 CD ARG A 16 16.707 10.156 -6.716 1.00 33.04 C ATOM 280 NE ARG A 16 16.273 10.591 -8.041 1.00 11.25 N ATOM 281 CZ ARG A 16 15.027 10.954 -8.323 1.00 73.14 C ATOM 282 NH1 ARG A 16 14.096 10.934 -7.379 1.00 4.10 N ATOM 283 NH2 ARG A 16 14.709 11.338 -9.553 1.00 42.12 N ATOM 0 H ARG A 16 18.469 7.940 -9.762 1.00 4.22 H new ATOM 0 HA ARG A 16 20.210 9.784 -8.231 1.00 43.53 H new ATOM 0 HB2 ARG A 16 17.825 8.129 -7.557 1.00 14.52 H new ATOM 0 HB3 ARG A 16 19.126 8.093 -6.383 1.00 14.52 H new ATOM 0 HG2 ARG A 16 18.533 10.106 -5.588 1.00 44.14 H new ATOM 0 HG3 ARG A 16 18.692 10.830 -7.176 1.00 44.14 H new ATOM 0 HD2 ARG A 16 16.240 9.200 -6.477 1.00 33.04 H new ATOM 0 HD3 ARG A 16 16.365 10.873 -5.969 1.00 33.04 H new ATOM 0 HE ARG A 16 16.964 10.617 -8.790 1.00 11.25 H new ATOM 0 HH11 ARG A 16 14.336 10.639 -6.432 1.00 4.10 H new ATOM 0 HH12 ARG A 16 13.140 11.214 -7.599 1.00 4.10 H new ATOM 0 HH21 ARG A 16 15.422 11.354 -10.282 1.00 42.12 H new ATOM 0 HH22 ARG A 16 13.752 11.617 -9.769 1.00 42.12 H new ATOM 297 N GLY A 17 20.396 6.514 -8.640 1.00 2.32 N ATOM 298 CA GLY A 17 21.316 5.394 -8.578 1.00 25.15 C ATOM 299 C GLY A 17 22.159 5.265 -9.831 1.00 74.03 C ATOM 300 O GLY A 17 22.778 4.228 -10.068 1.00 73.42 O ATOM 0 H GLY A 17 19.481 6.296 -9.034 1.00 2.32 H new ATOM 0 HA2 GLY A 17 21.970 5.513 -7.714 1.00 25.15 H new ATOM 0 HA3 GLY A 17 20.753 4.473 -8.427 1.00 25.15 H new ATOM 304 N VAL A 18 22.181 6.321 -10.638 1.00 44.03 N ATOM 305 CA VAL A 18 22.953 6.321 -11.875 1.00 43.52 C ATOM 306 C VAL A 18 23.536 7.702 -12.159 1.00 74.51 C ATOM 307 O VAL A 18 24.036 7.961 -13.253 1.00 1.10 O ATOM 308 CB VAL A 18 22.092 5.883 -13.074 1.00 51.25 C ATOM 309 CG1 VAL A 18 22.973 5.500 -14.253 1.00 62.24 C ATOM 310 CG2 VAL A 18 21.181 4.730 -12.682 1.00 73.12 C ATOM 0 H VAL A 18 21.673 7.187 -10.457 1.00 44.03 H new ATOM 0 HA VAL A 18 23.766 5.607 -11.741 1.00 43.52 H new ATOM 0 HB VAL A 18 21.467 6.723 -13.377 1.00 51.25 H new ATOM 0 HG11 VAL A 18 22.347 5.193 -15.091 1.00 62.24 H new ATOM 0 HG12 VAL A 18 23.579 6.357 -14.548 1.00 62.24 H new ATOM 0 HG13 VAL A 18 23.626 4.675 -13.967 1.00 62.24 H new ATOM 0 HG21 VAL A 18 20.580 4.433 -13.541 1.00 73.12 H new ATOM 0 HG22 VAL A 18 21.785 3.885 -12.352 1.00 73.12 H new ATOM 0 HG23 VAL A 18 20.524 5.045 -11.871 1.00 73.12 H new ATOM 320 N GLN A 19 23.467 8.582 -11.166 1.00 54.53 N ATOM 321 CA GLN A 19 23.987 9.937 -11.310 1.00 63.10 C ATOM 322 C GLN A 19 24.808 10.337 -10.088 1.00 52.13 C ATOM 323 O GLN A 19 26.038 10.363 -10.135 1.00 44.43 O ATOM 324 CB GLN A 19 22.840 10.928 -11.516 1.00 22.34 C ATOM 325 CG GLN A 19 23.296 12.375 -11.613 1.00 61.40 C ATOM 326 CD GLN A 19 24.125 12.643 -12.854 1.00 12.12 C ATOM 327 OE1 GLN A 19 24.317 11.759 -13.690 1.00 15.35 O ATOM 328 NE2 GLN A 19 24.621 13.868 -12.981 1.00 5.03 N ATOM 0 H GLN A 19 23.057 8.382 -10.254 1.00 54.53 H new ATOM 0 HA GLN A 19 24.637 9.959 -12.185 1.00 63.10 H new ATOM 0 HB2 GLN A 19 22.302 10.664 -12.426 1.00 22.34 H new ATOM 0 HB3 GLN A 19 22.136 10.832 -10.690 1.00 22.34 H new ATOM 0 HG2 GLN A 19 22.423 13.028 -11.616 1.00 61.40 H new ATOM 0 HG3 GLN A 19 23.880 12.628 -10.728 1.00 61.40 H new ATOM 0 HE21 GLN A 19 24.437 14.570 -12.264 1.00 5.03 H new ATOM 0 HE22 GLN A 19 25.186 14.107 -13.796 1.00 5.03 H new ATOM 337 N LEU A 20 24.119 10.649 -8.996 1.00 24.42 N ATOM 338 CA LEU A 20 24.784 11.048 -7.760 1.00 44.34 C ATOM 339 C LEU A 20 25.388 9.840 -7.051 1.00 51.14 C ATOM 340 O LEU A 20 26.239 9.983 -6.172 1.00 74.33 O ATOM 341 CB LEU A 20 23.796 11.758 -6.833 1.00 25.54 C ATOM 342 CG LEU A 20 24.338 12.972 -6.078 1.00 10.11 C ATOM 343 CD1 LEU A 20 24.198 14.230 -6.921 1.00 10.23 C ATOM 344 CD2 LEU A 20 23.619 13.137 -4.747 1.00 21.02 C ATOM 0 H LEU A 20 23.101 10.634 -8.941 1.00 24.42 H new ATOM 0 HA LEU A 20 25.591 11.735 -8.016 1.00 44.34 H new ATOM 0 HB2 LEU A 20 22.938 12.077 -7.425 1.00 25.54 H new ATOM 0 HB3 LEU A 20 23.429 11.036 -6.104 1.00 25.54 H new ATOM 0 HG LEU A 20 25.397 12.809 -5.878 1.00 10.11 H new ATOM 0 HD11 LEU A 20 24.589 15.084 -6.368 1.00 10.23 H new ATOM 0 HD12 LEU A 20 24.759 14.111 -7.848 1.00 10.23 H new ATOM 0 HD13 LEU A 20 23.146 14.398 -7.152 1.00 10.23 H new ATOM 0 HD21 LEU A 20 24.018 14.006 -4.223 1.00 21.02 H new ATOM 0 HD22 LEU A 20 22.553 13.278 -4.924 1.00 21.02 H new ATOM 0 HD23 LEU A 20 23.771 12.245 -4.139 1.00 21.02 H new ATOM 356 N THR A 21 24.944 8.649 -7.441 1.00 32.03 N ATOM 357 CA THR A 21 25.440 7.416 -6.844 1.00 23.33 C ATOM 358 C THR A 21 26.343 6.660 -7.813 1.00 14.23 C ATOM 359 O THR A 21 27.189 5.868 -7.398 1.00 61.25 O ATOM 360 CB THR A 21 24.283 6.495 -6.413 1.00 63.51 C ATOM 361 OG1 THR A 21 23.303 7.245 -5.688 1.00 4.35 O ATOM 362 CG2 THR A 21 24.795 5.351 -5.550 1.00 34.01 C ATOM 0 H THR A 21 24.242 8.513 -8.168 1.00 32.03 H new ATOM 0 HA THR A 21 26.015 7.701 -5.963 1.00 23.33 H new ATOM 0 HB THR A 21 23.828 6.077 -7.311 1.00 63.51 H new ATOM 0 HG1 THR A 21 22.506 7.367 -6.245 1.00 4.35 H new ATOM 0 HG21 THR A 21 23.960 4.714 -5.258 1.00 34.01 H new ATOM 0 HG22 THR A 21 25.519 4.764 -6.116 1.00 34.01 H new ATOM 0 HG23 THR A 21 25.273 5.754 -4.658 1.00 34.01 H new ATOM 370 N TYR A 22 26.157 6.911 -9.104 1.00 20.41 N ATOM 371 CA TYR A 22 26.954 6.252 -10.132 1.00 52.23 C ATOM 372 C TYR A 22 28.442 6.508 -9.916 1.00 1.14 C ATOM 373 O TYR A 22 29.264 5.602 -10.047 1.00 32.34 O ATOM 374 CB TYR A 22 26.538 6.741 -11.521 1.00 14.44 C ATOM 375 CG TYR A 22 27.501 6.345 -12.616 1.00 70.44 C ATOM 376 CD1 TYR A 22 27.825 5.011 -12.834 1.00 73.01 C ATOM 377 CD2 TYR A 22 28.088 7.303 -13.433 1.00 61.12 C ATOM 378 CE1 TYR A 22 28.705 4.644 -13.834 1.00 31.45 C ATOM 379 CE2 TYR A 22 28.968 6.945 -14.436 1.00 20.41 C ATOM 380 CZ TYR A 22 29.273 5.614 -14.632 1.00 65.10 C ATOM 381 OH TYR A 22 30.151 5.253 -15.629 1.00 13.10 O ATOM 0 H TYR A 22 25.462 7.565 -9.463 1.00 20.41 H new ATOM 0 HA TYR A 22 26.775 5.179 -10.062 1.00 52.23 H new ATOM 0 HB2 TYR A 22 25.551 6.344 -11.756 1.00 14.44 H new ATOM 0 HB3 TYR A 22 26.449 7.827 -11.503 1.00 14.44 H new ATOM 0 HD1 TYR A 22 27.381 4.248 -12.211 1.00 73.01 H new ATOM 0 HD2 TYR A 22 27.852 8.346 -13.281 1.00 61.12 H new ATOM 0 HE1 TYR A 22 28.947 3.603 -13.990 1.00 31.45 H new ATOM 0 HE2 TYR A 22 29.414 7.703 -15.063 1.00 20.41 H new ATOM 0 HH TYR A 22 30.460 6.055 -16.099 1.00 13.10 H new ATOM 391 N GLU A 23 28.780 7.750 -9.583 1.00 30.04 N ATOM 392 CA GLU A 23 30.169 8.126 -9.348 1.00 21.04 C ATOM 393 C GLU A 23 30.829 7.176 -8.352 1.00 13.54 C ATOM 394 O GLU A 23 30.199 6.728 -7.393 1.00 13.50 O ATOM 395 CB GLU A 23 30.251 9.563 -8.830 1.00 0.44 C ATOM 396 CG GLU A 23 31.093 10.478 -9.703 1.00 3.11 C ATOM 397 CD GLU A 23 30.283 11.596 -10.329 1.00 15.11 C ATOM 398 OE1 GLU A 23 29.131 11.338 -10.738 1.00 23.14 O ATOM 399 OE2 GLU A 23 30.800 12.730 -10.410 1.00 21.05 O ATOM 0 H GLU A 23 28.111 8.512 -9.470 1.00 30.04 H new ATOM 0 HA GLU A 23 30.702 8.058 -10.296 1.00 21.04 H new ATOM 0 HB2 GLU A 23 29.243 9.972 -8.756 1.00 0.44 H new ATOM 0 HB3 GLU A 23 30.666 9.554 -7.822 1.00 0.44 H new ATOM 0 HG2 GLU A 23 31.896 10.908 -9.104 1.00 3.11 H new ATOM 0 HG3 GLU A 23 31.563 9.890 -10.491 1.00 3.11 H new