USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 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 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.244 9.026 5.207 1.00 0.00 N ATOM 136 CA ALA A 10 6.825 10.360 5.616 1.00 0.00 C ATOM 137 C ALA A 10 5.604 10.297 6.527 1.00 0.00 C ATOM 138 O ALA A 10 5.511 11.034 7.509 1.00 0.00 O ATOM 139 CB ALA A 10 6.530 11.219 4.394 1.00 0.00 C ATOM 0 HA ALA A 10 7.642 10.814 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.218 12.213 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.428 11.301 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.733 10.759 3.810 1.00 0.00 H new ATOM 145 N VAL A 11 4.669 9.413 6.195 1.00 0.00 N ATOM 146 CA VAL A 11 3.453 9.253 6.984 1.00 0.00 C ATOM 147 C VAL A 11 3.765 8.695 8.368 1.00 0.00 C ATOM 148 O VAL A 11 3.330 9.241 9.382 1.00 0.00 O ATOM 149 CB VAL A 11 2.446 8.323 6.282 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.211 8.123 7.147 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.068 8.879 4.918 1.00 0.00 C ATOM 0 H VAL A 11 4.730 8.796 5.385 1.00 0.00 H new ATOM 0 HA VAL A 11 3.010 10.244 7.087 1.00 0.00 H new ATOM 0 HB VAL A 11 2.917 7.351 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.511 7.463 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.501 7.676 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.735 9.086 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.356 8.209 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.615 9.863 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.961 8.964 4.299 1.00 0.00 H new ATOM 161 N ILE A 12 4.523 7.604 8.403 1.00 0.00 N ATOM 162 CA ILE A 12 4.895 6.972 9.662 1.00 0.00 C ATOM 163 C ILE A 12 5.778 7.892 10.499 1.00 0.00 C ATOM 164 O ILE A 12 5.603 8.003 11.712 1.00 0.00 O ATOM 165 CB ILE A 12 5.636 5.642 9.428 1.00 0.00 C ATOM 166 CG1 ILE A 12 6.829 5.855 8.494 1.00 0.00 C ATOM 167 CG2 ILE A 12 4.686 4.601 8.855 1.00 0.00 C ATOM 168 CD1 ILE A 12 8.149 5.987 9.221 1.00 0.00 C ATOM 0 H ILE A 12 4.891 7.139 7.573 1.00 0.00 H new ATOM 0 HA ILE A 12 3.968 6.772 10.200 1.00 0.00 H new ATOM 0 HB ILE A 12 6.009 5.277 10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.889 5.019 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.659 6.753 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.224 3.667 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.866 4.433 9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.286 4.957 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.950 6.136 8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.108 6.841 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.341 5.080 9.794 1.00 0.00 H new ATOM 180 N ALA A 13 6.726 8.552 9.841 1.00 0.00 N ATOM 181 CA ALA A 13 7.634 9.465 10.523 1.00 0.00 C ATOM 182 C ALA A 13 6.874 10.631 11.147 1.00 0.00 C ATOM 183 O ALA A 13 7.134 11.016 12.286 1.00 0.00 O ATOM 184 CB ALA A 13 8.691 9.979 9.557 1.00 0.00 C ATOM 0 H ALA A 13 6.885 8.471 8.837 1.00 0.00 H new ATOM 0 HA ALA A 13 8.127 8.915 11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.362 10.660 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.262 9.139 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.207 10.507 8.735 1.00 0.00 H new ATOM 190 N GLY A 14 5.935 11.191 10.391 1.00 0.00 N ATOM 191 CA GLY A 14 5.152 12.308 10.886 1.00 0.00 C ATOM 192 C GLY A 14 4.264 11.922 12.053 1.00 0.00 C ATOM 193 O GLY A 14 4.070 12.707 12.980 1.00 0.00 O ATOM 0 H GLY A 14 5.702 10.891 9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.823 13.110 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.535 12.701 10.078 1.00 0.00 H new ATOM 197 N GLY A 15 3.722 10.709 12.006 1.00 0.00 N ATOM 198 CA GLY A 15 2.855 10.242 13.072 1.00 0.00 C ATOM 199 C GLY A 15 3.609 9.983 14.361 1.00 0.00 C ATOM 200 O GLY A 15 3.127 10.307 15.446 1.00 0.00 O ATOM 0 H GLY A 15 3.868 10.041 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.076 10.982 13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.357 9.326 12.756 1.00 0.00 H new ATOM 204 N VAL A 16 4.795 9.395 14.243 1.00 0.00 N ATOM 205 CA VAL A 16 5.617 9.091 15.408 1.00 0.00 C ATOM 206 C VAL A 16 6.108 10.367 16.082 1.00 0.00 C ATOM 207 O VAL A 16 6.007 10.517 17.300 1.00 0.00 O ATOM 208 CB VAL A 16 6.832 8.224 15.027 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.667 7.905 16.258 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.379 6.948 14.335 1.00 0.00 C ATOM 0 H VAL A 16 5.208 9.120 13.352 1.00 0.00 H new ATOM 0 HA VAL A 16 4.988 8.535 16.103 1.00 0.00 H new ATOM 0 HB VAL A 16 7.454 8.786 14.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.521 7.292 15.970 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.022 8.833 16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.058 7.362 16.980 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.250 6.347 14.073 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.735 6.379 15.006 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.827 7.201 13.430 1.00 0.00 H new ATOM 220 N ILE A 17 6.640 11.285 15.282 1.00 0.00 N ATOM 221 CA ILE A 17 7.146 12.550 15.801 1.00 0.00 C ATOM 222 C ILE A 17 6.020 13.388 16.399 1.00 0.00 C ATOM 223 O ILE A 17 6.171 13.975 17.469 1.00 0.00 O ATOM 224 CB ILE A 17 7.852 13.367 14.703 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.369 14.689 15.274 1.00 0.00 C ATOM 226 CG2 ILE A 17 6.905 13.621 13.540 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.863 14.870 15.120 1.00 0.00 C ATOM 0 H ILE A 17 6.732 11.177 14.272 1.00 0.00 H new ATOM 0 HA ILE A 17 7.868 12.306 16.581 1.00 0.00 H new ATOM 0 HB ILE A 17 8.703 12.794 14.335 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.858 15.514 14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.111 14.744 16.332 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.419 14.200 12.772 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.580 12.669 13.120 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.036 14.177 13.893 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.159 15.828 15.547 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.383 14.065 15.640 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.125 14.847 14.062 1.00 0.00 H new ATOM 239 N GLY A 18 4.891 13.437 15.699 1.00 0.00 N ATOM 240 CA GLY A 18 3.755 14.204 16.177 1.00 0.00 C ATOM 241 C GLY A 18 3.198 13.665 17.479 1.00 0.00 C ATOM 242 O GLY A 18 2.876 14.429 18.389 1.00 0.00 O ATOM 0 H GLY A 18 4.742 12.960 14.810 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.055 15.243 16.316 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.971 14.197 15.420 1.00 0.00 H new ATOM 246 N PHE A 19 3.082 12.344 17.570 1.00 0.00 N ATOM 247 CA PHE A 19 2.557 11.703 18.770 1.00 0.00 C ATOM 248 C PHE A 19 3.482 11.936 19.960 1.00 0.00 C ATOM 249 O PHE A 19 3.026 12.223 21.068 1.00 0.00 O ATOM 250 CB PHE A 19 2.378 10.201 18.535 1.00 0.00 C ATOM 251 CG PHE A 19 0.965 9.809 18.210 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.673 9.134 17.036 1.00 0.00 C ATOM 253 CD2 PHE A 19 -0.070 10.116 19.078 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.626 8.772 16.733 1.00 0.00 C ATOM 255 CE2 PHE A 19 -1.371 9.756 18.781 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.650 9.084 17.607 1.00 0.00 C ATOM 0 H PHE A 19 3.345 11.697 16.827 1.00 0.00 H new ATOM 0 HA PHE A 19 1.587 12.147 18.994 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.030 9.889 17.719 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.701 9.661 19.425 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.470 8.888 16.350 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.142 10.642 19.997 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.840 8.246 15.814 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.169 10.000 19.467 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.666 8.803 17.373 1.00 0.00 H new ATOM 266 N LEU A 20 4.783 11.812 19.724 1.00 0.00 N ATOM 267 CA LEU A 20 5.774 12.008 20.776 1.00 0.00 C ATOM 268 C LEU A 20 5.757 13.449 21.278 1.00 0.00 C ATOM 269 O LEU A 20 5.900 13.702 22.475 1.00 0.00 O ATOM 270 CB LEU A 20 7.170 11.653 20.262 1.00 0.00 C ATOM 271 CG LEU A 20 7.898 10.537 21.013 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.417 9.490 20.040 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.038 11.108 21.843 1.00 0.00 C ATOM 0 H LEU A 20 5.177 11.576 18.813 1.00 0.00 H new ATOM 0 HA LEU A 20 5.521 11.349 21.607 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.087 11.364 19.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.788 12.550 20.298 1.00 0.00 H new ATOM 0 HG LEU A 20 7.189 10.057 21.688 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.932 8.704 20.592 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.581 9.059 19.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.111 9.956 19.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.545 10.300 22.370 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.747 11.614 21.188 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.640 11.820 22.566 1.00 0.00 H new ATOM 285 N PHE A 21 5.577 14.389 20.357 1.00 0.00 N ATOM 286 CA PHE A 21 5.539 15.804 20.706 1.00 0.00 C ATOM 287 C PHE A 21 4.287 16.132 21.514 1.00 0.00 C ATOM 288 O PHE A 21 4.345 16.874 22.495 1.00 0.00 O ATOM 289 CB PHE A 21 5.583 16.665 19.441 1.00 0.00 C ATOM 290 CG PHE A 21 6.665 17.706 19.462 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.536 17.841 18.393 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.812 18.550 20.551 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.533 18.798 18.408 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.806 19.510 20.572 1.00 0.00 C ATOM 295 CZ PHE A 21 8.669 19.633 19.500 1.00 0.00 C ATOM 0 H PHE A 21 5.455 14.197 19.363 1.00 0.00 H new ATOM 0 HA PHE A 21 6.413 16.025 21.318 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.729 16.018 18.576 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.619 17.157 19.312 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.435 17.190 17.537 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.142 18.457 21.393 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.205 18.893 17.568 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.908 20.164 21.426 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.448 20.380 19.516 1.00 0.00 H new ATOM 305 N ALA A 22 3.157 15.573 21.095 1.00 0.00 N ATOM 306 CA ALA A 22 1.891 15.803 21.780 1.00 0.00 C ATOM 307 C ALA A 22 1.937 15.278 23.211 1.00 0.00 C ATOM 308 O ALA A 22 1.493 15.949 24.143 1.00 0.00 O ATOM 309 CB ALA A 22 0.750 15.152 21.013 1.00 0.00 C ATOM 0 H ALA A 22 3.092 14.957 20.284 1.00 0.00 H new ATOM 0 HA ALA A 22 1.719 16.879 21.821 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.189 15.332 21.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.695 15.578 20.011 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.926 14.079 20.941 1.00 0.00 H new ATOM 315 N ILE A 23 2.477 14.075 23.378 1.00 0.00 N ATOM 316 CA ILE A 23 2.581 13.461 24.695 1.00 0.00 C ATOM 317 C ILE A 23 3.548 14.233 25.587 1.00 0.00 C ATOM 318 O ILE A 23 3.323 14.375 26.789 1.00 0.00 O ATOM 319 CB ILE A 23 3.047 11.997 24.599 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.007 11.156 23.856 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.302 11.429 25.987 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.693 11.028 24.596 1.00 0.00 C ATOM 0 H ILE A 23 2.849 13.507 22.617 1.00 0.00 H new ATOM 0 HA ILE A 23 1.584 13.488 25.135 1.00 0.00 H new ATOM 0 HB ILE A 23 3.981 11.965 24.038 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.822 11.601 22.878 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.415 10.160 23.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.631 10.393 25.902 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.075 12.015 26.484 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.383 11.471 26.572 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.004 10.419 24.011 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.864 10.555 25.563 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.263 12.018 24.748 1.00 0.00 H new ATOM 334 N PHE A 24 4.625 14.732 24.989 1.00 0.00 N ATOM 335 CA PHE A 24 5.627 15.491 25.728 1.00 0.00 C ATOM 336 C PHE A 24 5.057 16.824 26.204 1.00 0.00 C ATOM 337 O PHE A 24 5.322 17.261 27.325 1.00 0.00 O ATOM 338 CB PHE A 24 6.860 15.733 24.856 1.00 0.00 C ATOM 339 CG PHE A 24 7.913 16.570 25.524 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.525 16.137 26.689 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.290 17.791 24.988 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.494 16.905 27.307 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.258 18.563 25.601 1.00 0.00 C ATOM 344 CZ PHE A 24 9.860 18.120 26.763 1.00 0.00 C ATOM 0 H PHE A 24 4.826 14.624 23.995 1.00 0.00 H new ATOM 0 HA PHE A 24 5.918 14.907 26.601 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.293 14.772 24.579 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.551 16.222 23.932 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.242 15.188 27.120 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.822 18.143 24.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.964 16.555 28.214 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.544 19.512 25.172 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.615 18.723 27.245 1.00 0.00 H new ATOM 354 N LEU A 25 4.274 17.467 25.345 1.00 0.00 N ATOM 355 CA LEU A 25 3.667 18.751 25.676 1.00 0.00 C ATOM 356 C LEU A 25 2.630 18.594 26.784 1.00 0.00 C ATOM 357 O LEU A 25 2.566 19.405 27.707 1.00 0.00 O ATOM 358 CB LEU A 25 3.015 19.364 24.435 1.00 0.00 C ATOM 359 CG LEU A 25 3.689 20.615 23.872 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.598 20.633 22.354 1.00 0.00 C ATOM 361 CD2 LEU A 25 3.062 21.870 24.460 1.00 0.00 C ATOM 0 H LEU A 25 4.045 17.120 24.414 1.00 0.00 H new ATOM 0 HA LEU A 25 4.454 19.416 26.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.988 18.607 23.652 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.981 19.610 24.676 1.00 0.00 H new ATOM 0 HG LEU A 25 4.742 20.594 24.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.083 21.531 21.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.095 19.751 21.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.551 20.630 22.052 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.555 22.750 24.048 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.001 21.898 24.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.180 21.862 25.544 1.00 0.00 H new ATOM 373 N ILE A 26 1.822 17.543 26.686 1.00 0.00 N ATOM 374 CA ILE A 26 0.791 17.278 27.681 1.00 0.00 C ATOM 375 C ILE A 26 1.407 16.970 29.042 1.00 0.00 C ATOM 376 O ILE A 26 0.967 17.491 30.067 1.00 0.00 O ATOM 377 CB ILE A 26 -0.109 16.101 27.260 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.797 16.409 25.928 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.140 15.810 28.340 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.125 15.174 25.118 1.00 0.00 C ATOM 0 H ILE A 26 1.862 16.862 25.928 1.00 0.00 H new ATOM 0 HA ILE A 26 0.184 18.181 27.755 1.00 0.00 H new ATOM 0 HB ILE A 26 0.513 15.215 27.131 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.717 16.961 26.122 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.153 17.060 25.338 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.768 14.976 28.028 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.631 15.553 29.269 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.760 16.692 28.498 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.611 15.468 24.187 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.206 14.632 24.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.795 14.531 25.690 1.00 0.00 H new ATOM 392 N LEU A 27 2.429 16.121 29.044 1.00 0.00 N ATOM 393 CA LEU A 27 3.108 15.744 30.279 1.00 0.00 C ATOM 394 C LEU A 27 3.763 16.957 30.932 1.00 0.00 C ATOM 395 O LEU A 27 3.715 17.121 32.152 1.00 0.00 O ATOM 396 CB LEU A 27 4.161 14.671 29.998 1.00 0.00 C ATOM 397 CG LEU A 27 3.858 13.275 30.543 1.00 0.00 C ATOM 398 CD1 LEU A 27 3.302 12.382 29.445 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.108 12.658 31.153 1.00 0.00 C ATOM 0 H LEU A 27 2.806 15.681 28.204 1.00 0.00 H new ATOM 0 HA LEU A 27 2.363 15.342 30.966 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.296 14.597 28.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.111 15.004 30.416 1.00 0.00 H new ATOM 0 HG LEU A 27 3.104 13.367 31.325 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.092 11.393 29.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.382 12.816 29.054 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.033 12.296 28.641 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.874 11.665 31.536 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.884 12.580 30.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.463 13.287 31.969 1.00 0.00 H new ATOM 411 N LEU A 28 4.373 17.806 30.112 1.00 0.00 N ATOM 412 CA LEU A 28 5.037 19.006 30.609 1.00 0.00 C ATOM 413 C LEU A 28 4.027 19.974 31.219 1.00 0.00 C ATOM 414 O LEU A 28 4.285 20.584 32.257 1.00 0.00 O ATOM 415 CB LEU A 28 5.802 19.696 29.478 1.00 0.00 C ATOM 416 CG LEU A 28 7.081 20.429 29.883 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.134 19.441 30.360 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.611 21.256 28.721 1.00 0.00 C ATOM 0 H LEU A 28 4.421 17.686 29.100 1.00 0.00 H new ATOM 0 HA LEU A 28 5.741 18.706 31.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.058 18.946 28.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.134 20.411 28.998 1.00 0.00 H new ATOM 0 HG LEU A 28 6.846 21.103 30.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.037 19.981 30.644 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.754 18.892 31.221 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.367 18.741 29.557 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.522 21.771 29.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.830 20.601 27.878 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.861 21.990 28.425 1.00 0.00 H new ATOM 430 N LEU A 29 2.876 20.106 30.570 1.00 0.00 N ATOM 431 CA LEU A 29 1.826 20.998 31.049 1.00 0.00 C ATOM 432 C LEU A 29 1.271 20.517 32.386 1.00 0.00 C ATOM 433 O LEU A 29 1.154 21.291 33.336 1.00 0.00 O ATOM 434 CB LEU A 29 0.698 21.089 30.020 1.00 0.00 C ATOM 435 CG LEU A 29 0.142 22.488 29.755 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.566 22.536 28.410 1.00 0.00 C ATOM 437 CD2 LEU A 29 -0.803 22.907 30.872 1.00 0.00 C ATOM 0 H LEU A 29 2.646 19.607 29.711 1.00 0.00 H new ATOM 0 HA LEU A 29 2.261 21.987 31.191 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.060 20.679 29.077 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.121 20.451 30.351 1.00 0.00 H new ATOM 0 HG LEU A 29 0.976 23.190 29.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.955 23.540 28.239 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.139 22.280 27.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.390 21.822 28.407 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.189 23.905 30.667 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.632 22.202 30.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.265 22.914 31.820 1.00 0.00 H new ATOM 449 N VAL A 30 0.934 19.233 32.454 1.00 0.00 N ATOM 450 CA VAL A 30 0.396 18.647 33.676 1.00 0.00 C ATOM 451 C VAL A 30 1.432 18.659 34.794 1.00 0.00 C ATOM 452 O VAL A 30 1.091 18.797 35.969 1.00 0.00 O ATOM 453 CB VAL A 30 -0.076 17.199 33.443 1.00 0.00 C ATOM 454 CG1 VAL A 30 1.093 16.316 33.034 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.756 16.654 34.690 1.00 0.00 C ATOM 0 H VAL A 30 1.024 18.579 31.677 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.458 19.257 33.970 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.803 17.198 32.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.741 15.297 32.874 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.532 16.697 32.112 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.845 16.320 33.823 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.083 15.630 34.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.053 16.668 35.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.619 17.273 34.934 1.00 0.00 H new ATOM 465 N TYR A 31 2.698 18.514 34.421 1.00 0.00 N ATOM 466 CA TYR A 31 3.785 18.507 35.393 1.00 0.00 C ATOM 467 C TYR A 31 4.019 19.904 35.960 1.00 0.00 C ATOM 468 O TYR A 31 4.077 20.091 37.175 1.00 0.00 O ATOM 469 CB TYR A 31 5.070 17.985 34.748 1.00 0.00 C ATOM 470 CG TYR A 31 6.200 17.778 35.731 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.119 16.803 36.718 1.00 0.00 C ATOM 472 CD2 TYR A 31 7.349 18.558 35.674 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.148 16.611 37.619 1.00 0.00 C ATOM 474 CE2 TYR A 31 8.384 18.372 36.570 1.00 0.00 C ATOM 475 CZ TYR A 31 8.279 17.398 37.540 1.00 0.00 C ATOM 476 OH TYR A 31 9.307 17.210 38.435 1.00 0.00 O ATOM 0 H TYR A 31 2.997 18.400 33.453 1.00 0.00 H new ATOM 0 HA TYR A 31 3.502 17.845 36.212 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.858 17.040 34.247 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.392 18.688 33.980 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.236 16.185 36.782 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.434 19.323 34.916 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.068 15.850 38.381 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.270 18.986 36.511 1.00 0.00 H new ATOM 0 HH TYR A 31 10.029 17.844 38.242 1.00 0.00 H new ATOM 486 N ARG A 32 4.150 20.882 35.070 1.00 0.00 N ATOM 487 CA ARG A 32 4.378 22.262 35.480 1.00 0.00 C ATOM 488 C ARG A 32 3.232 22.766 36.353 1.00 0.00 C ATOM 489 O ARG A 32 3.447 23.515 37.305 1.00 0.00 O ATOM 490 CB ARG A 32 4.531 23.163 34.253 1.00 0.00 C ATOM 491 CG ARG A 32 5.524 24.297 34.450 1.00 0.00 C ATOM 492 CD ARG A 32 5.733 25.084 33.166 1.00 0.00 C ATOM 493 NE ARG A 32 7.127 25.060 32.730 1.00 0.00 N ATOM 494 CZ ARG A 32 7.609 25.839 31.767 1.00 0.00 C ATOM 495 NH1 ARG A 32 6.814 26.698 31.144 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.889 25.759 31.427 1.00 0.00 N ATOM 0 H ARG A 32 4.102 20.744 34.060 1.00 0.00 H new ATOM 0 HA ARG A 32 5.298 22.294 36.063 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.849 22.557 33.405 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.558 23.583 33.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.165 24.965 35.233 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.478 23.892 34.789 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.100 24.671 32.380 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.419 26.116 33.318 1.00 0.00 H new ATOM 0 HE ARG A 32 7.765 24.410 33.189 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.830 26.762 31.403 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.187 27.295 30.405 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.503 25.100 31.905 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.259 26.357 30.688 1.00 0.00 H new