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 7.301 9.079 5.050 1.00 0.00 N ATOM 136 CA ALA A 10 6.919 10.453 5.349 1.00 0.00 C ATOM 137 C ALA A 10 5.765 10.497 6.346 1.00 0.00 C ATOM 138 O ALA A 10 5.824 11.211 7.347 1.00 0.00 O ATOM 139 CB ALA A 10 6.542 11.187 4.070 1.00 0.00 C ATOM 0 HA ALA A 10 7.776 10.952 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.259 12.212 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.394 11.195 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.703 10.680 3.594 1.00 0.00 H new ATOM 145 N VAL A 11 4.716 9.731 6.064 1.00 0.00 N ATOM 146 CA VAL A 11 3.549 9.683 6.936 1.00 0.00 C ATOM 147 C VAL A 11 3.894 9.054 8.282 1.00 0.00 C ATOM 148 O VAL A 11 3.455 9.528 9.330 1.00 0.00 O ATOM 149 CB VAL A 11 2.398 8.888 6.291 1.00 0.00 C ATOM 150 CG1 VAL A 11 2.857 7.484 5.927 1.00 0.00 C ATOM 151 CG2 VAL A 11 1.196 8.841 7.221 1.00 0.00 C ATOM 0 H VAL A 11 4.651 9.135 5.239 1.00 0.00 H new ATOM 0 HA VAL A 11 3.227 10.713 7.091 1.00 0.00 H new ATOM 0 HB VAL A 11 2.098 9.395 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.031 6.937 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.685 7.544 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.185 6.964 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.393 8.275 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.478 8.358 8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.854 9.856 7.425 1.00 0.00 H new ATOM 161 N ILE A 12 4.682 7.985 8.244 1.00 0.00 N ATOM 162 CA ILE A 12 5.087 7.293 9.461 1.00 0.00 C ATOM 163 C ILE A 12 5.936 8.195 10.351 1.00 0.00 C ATOM 164 O ILE A 12 5.691 8.307 11.552 1.00 0.00 O ATOM 165 CB ILE A 12 5.881 6.012 9.142 1.00 0.00 C ATOM 166 CG1 ILE A 12 4.959 4.952 8.537 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.556 5.481 10.398 1.00 0.00 C ATOM 168 CD1 ILE A 12 5.694 3.896 7.741 1.00 0.00 C ATOM 0 H ILE A 12 5.052 7.580 7.384 1.00 0.00 H new ATOM 0 HA ILE A 12 4.173 7.023 9.989 1.00 0.00 H new ATOM 0 HB ILE A 12 6.654 6.253 8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.400 4.468 9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.231 5.442 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.113 4.576 10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.240 6.234 10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.799 5.252 11.149 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.978 3.178 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.231 4.368 6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.403 3.380 8.389 1.00 0.00 H new ATOM 180 N ALA A 13 6.933 8.839 9.752 1.00 0.00 N ATOM 181 CA ALA A 13 7.815 9.735 10.489 1.00 0.00 C ATOM 182 C ALA A 13 7.037 10.900 11.090 1.00 0.00 C ATOM 183 O ALA A 13 7.258 11.281 12.239 1.00 0.00 O ATOM 184 CB ALA A 13 8.923 10.249 9.582 1.00 0.00 C ATOM 0 H ALA A 13 7.150 8.757 8.759 1.00 0.00 H new ATOM 0 HA ALA A 13 8.263 9.171 11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.574 10.917 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.505 9.408 9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.485 10.791 8.744 1.00 0.00 H new ATOM 190 N GLY A 14 6.124 11.464 10.304 1.00 0.00 N ATOM 191 CA GLY A 14 5.328 12.582 10.776 1.00 0.00 C ATOM 192 C GLY A 14 4.424 12.203 11.932 1.00 0.00 C ATOM 193 O GLY A 14 4.234 12.984 12.863 1.00 0.00 O ATOM 0 H GLY A 14 5.922 11.167 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.990 13.390 11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.722 12.965 9.955 1.00 0.00 H new ATOM 197 N GLY A 15 3.863 10.999 11.872 1.00 0.00 N ATOM 198 CA GLY A 15 2.979 10.539 12.928 1.00 0.00 C ATOM 199 C GLY A 15 3.715 10.276 14.227 1.00 0.00 C ATOM 200 O GLY A 15 3.224 10.608 15.305 1.00 0.00 O ATOM 0 H GLY A 15 4.005 10.334 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.203 11.285 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.478 9.626 12.606 1.00 0.00 H new ATOM 204 N VAL A 16 4.897 9.675 14.124 1.00 0.00 N ATOM 205 CA VAL A 16 5.702 9.367 15.300 1.00 0.00 C ATOM 206 C VAL A 16 6.183 10.640 15.986 1.00 0.00 C ATOM 207 O VAL A 16 6.091 10.772 17.207 1.00 0.00 O ATOM 208 CB VAL A 16 6.922 8.502 14.933 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.699 8.117 16.183 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.486 7.264 14.164 1.00 0.00 C ATOM 0 H VAL A 16 5.318 9.392 13.239 1.00 0.00 H new ATOM 0 HA VAL A 16 5.063 8.809 15.984 1.00 0.00 H new ATOM 0 HB VAL A 16 7.580 9.087 14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.557 7.506 15.904 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.044 9.019 16.689 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.053 7.550 16.853 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.361 6.665 13.913 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.806 6.674 14.779 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.978 7.565 13.248 1.00 0.00 H new ATOM 220 N ILE A 17 6.695 11.576 15.194 1.00 0.00 N ATOM 221 CA ILE A 17 7.189 12.840 15.725 1.00 0.00 C ATOM 222 C ILE A 17 6.060 13.651 16.352 1.00 0.00 C ATOM 223 O ILE A 17 6.207 14.198 17.444 1.00 0.00 O ATOM 224 CB ILE A 17 7.866 13.685 14.630 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.102 12.962 14.090 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.243 15.054 15.175 1.00 0.00 C ATOM 227 CD1 ILE A 17 10.207 12.808 15.111 1.00 0.00 C ATOM 0 H ILE A 17 6.778 11.483 14.182 1.00 0.00 H new ATOM 0 HA ILE A 17 7.926 12.595 16.490 1.00 0.00 H new ATOM 0 HB ILE A 17 7.161 13.824 13.810 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.808 11.975 13.733 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.487 13.510 13.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.720 15.640 14.389 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.345 15.569 15.517 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.934 14.936 16.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.051 12.287 14.658 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.528 13.793 15.451 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.839 12.233 15.961 1.00 0.00 H new ATOM 239 N GLY A 18 4.931 13.723 15.653 1.00 0.00 N ATOM 240 CA GLY A 18 3.792 14.468 16.157 1.00 0.00 C ATOM 241 C GLY A 18 3.242 13.886 17.444 1.00 0.00 C ATOM 242 O GLY A 18 2.913 14.620 18.376 1.00 0.00 O ATOM 0 H GLY A 18 4.785 13.279 14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.086 15.504 16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.006 14.479 15.402 1.00 0.00 H new ATOM 246 N PHE A 19 3.141 12.562 17.497 1.00 0.00 N ATOM 247 CA PHE A 19 2.624 11.881 18.678 1.00 0.00 C ATOM 248 C PHE A 19 3.545 12.096 19.876 1.00 0.00 C ATOM 249 O PHE A 19 3.085 12.345 20.991 1.00 0.00 O ATOM 250 CB PHE A 19 2.468 10.384 18.403 1.00 0.00 C ATOM 251 CG PHE A 19 1.083 9.996 17.970 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.395 8.987 18.626 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.468 10.640 16.909 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.879 8.627 18.230 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.807 10.285 16.509 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.481 9.277 17.170 1.00 0.00 C ATOM 0 H PHE A 19 3.411 11.939 16.735 1.00 0.00 H new ATOM 0 HA PHE A 19 1.647 12.304 18.912 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.178 10.089 17.630 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.728 9.828 19.304 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.860 8.476 19.456 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.991 11.429 16.388 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.404 7.838 18.749 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.275 10.795 15.680 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.477 8.997 16.859 1.00 0.00 H new ATOM 266 N LEU A 20 4.848 11.996 19.638 1.00 0.00 N ATOM 267 CA LEU A 20 5.836 12.178 20.696 1.00 0.00 C ATOM 268 C LEU A 20 5.796 13.604 21.238 1.00 0.00 C ATOM 269 O LEU A 20 5.934 13.826 22.441 1.00 0.00 O ATOM 270 CB LEU A 20 7.237 11.858 20.174 1.00 0.00 C ATOM 271 CG LEU A 20 8.066 10.895 21.024 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.188 11.411 22.449 1.00 0.00 C ATOM 273 CD2 LEU A 20 7.449 9.504 21.009 1.00 0.00 C ATOM 0 H LEU A 20 5.245 11.790 18.721 1.00 0.00 H new ATOM 0 HA LEU A 20 5.593 11.493 21.508 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.143 11.438 19.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.789 12.793 20.077 1.00 0.00 H new ATOM 0 HG LEU A 20 9.066 10.831 20.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.781 10.713 23.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.675 12.386 22.442 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.195 11.505 22.888 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.052 8.832 21.619 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.437 9.550 21.412 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.415 9.132 19.985 1.00 0.00 H new ATOM 285 N PHE A 21 5.605 14.567 20.342 1.00 0.00 N ATOM 286 CA PHE A 21 5.546 15.971 20.730 1.00 0.00 C ATOM 287 C PHE A 21 4.289 16.257 21.547 1.00 0.00 C ATOM 288 O PHE A 21 4.335 16.973 22.547 1.00 0.00 O ATOM 289 CB PHE A 21 5.576 16.866 19.490 1.00 0.00 C ATOM 290 CG PHE A 21 6.816 17.708 19.389 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.753 19.082 19.561 1.00 0.00 C ATOM 292 CD2 PHE A 21 8.044 17.127 19.121 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.891 19.860 19.469 1.00 0.00 C ATOM 294 CE2 PHE A 21 9.187 17.899 19.028 1.00 0.00 C ATOM 295 CZ PHE A 21 9.110 19.267 19.201 1.00 0.00 C ATOM 0 H PHE A 21 5.488 14.400 19.342 1.00 0.00 H new ATOM 0 HA PHE A 21 6.417 16.188 21.348 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.496 16.242 18.600 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.703 17.519 19.501 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.802 19.550 19.770 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.110 16.058 18.983 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.828 20.929 19.606 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.139 17.433 18.820 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.001 19.872 19.127 1.00 0.00 H new ATOM 305 N ALA A 22 3.167 15.693 21.112 1.00 0.00 N ATOM 306 CA ALA A 22 1.898 15.886 21.803 1.00 0.00 C ATOM 307 C ALA A 22 1.952 15.322 23.219 1.00 0.00 C ATOM 308 O ALA A 22 1.498 15.961 24.169 1.00 0.00 O ATOM 309 CB ALA A 22 0.766 15.238 21.018 1.00 0.00 C ATOM 0 H ALA A 22 3.111 15.099 20.285 1.00 0.00 H new ATOM 0 HA ALA A 22 1.711 16.957 21.874 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.176 15.390 21.545 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.704 15.690 20.028 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.958 14.170 20.918 1.00 0.00 H new ATOM 315 N ILE A 23 2.510 14.124 23.353 1.00 0.00 N ATOM 316 CA ILE A 23 2.624 13.476 24.653 1.00 0.00 C ATOM 317 C ILE A 23 3.578 14.238 25.566 1.00 0.00 C ATOM 318 O ILE A 23 3.351 14.343 26.771 1.00 0.00 O ATOM 319 CB ILE A 23 3.113 12.022 24.517 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.087 11.185 23.751 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.376 11.421 25.890 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.775 11.017 24.485 1.00 0.00 C ATOM 0 H ILE A 23 2.890 13.582 22.577 1.00 0.00 H new ATOM 0 HA ILE A 23 1.627 13.476 25.093 1.00 0.00 H new ATOM 0 HB ILE A 23 4.047 12.020 23.956 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.896 11.653 22.785 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.510 10.201 23.550 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.721 10.393 25.777 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.140 12.006 26.403 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.456 11.433 26.475 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.096 10.413 23.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.953 10.521 25.439 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.329 11.996 24.662 1.00 0.00 H new ATOM 334 N PHE A 24 4.647 14.771 24.983 1.00 0.00 N ATOM 335 CA PHE A 24 5.637 15.525 25.743 1.00 0.00 C ATOM 336 C PHE A 24 5.045 16.835 26.257 1.00 0.00 C ATOM 337 O PHE A 24 5.304 17.244 27.389 1.00 0.00 O ATOM 338 CB PHE A 24 6.865 15.813 24.877 1.00 0.00 C ATOM 339 CG PHE A 24 8.156 15.795 25.644 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.905 14.633 25.741 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.622 16.941 26.270 1.00 0.00 C ATOM 342 CE1 PHE A 24 10.094 14.613 26.446 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.810 16.927 26.975 1.00 0.00 C ATOM 344 CZ PHE A 24 10.546 15.762 27.065 1.00 0.00 C ATOM 0 H PHE A 24 4.850 14.695 23.986 1.00 0.00 H new ATOM 0 HA PHE A 24 5.938 14.921 26.599 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.917 15.075 24.077 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.746 16.788 24.404 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.555 13.732 25.260 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.050 17.855 26.206 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.668 13.701 26.513 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.163 17.827 27.456 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.473 15.749 27.618 1.00 0.00 H new ATOM 354 N LEU A 25 4.251 17.488 25.416 1.00 0.00 N ATOM 355 CA LEU A 25 3.623 18.752 25.783 1.00 0.00 C ATOM 356 C LEU A 25 2.588 18.546 26.885 1.00 0.00 C ATOM 357 O LEU A 25 2.509 19.330 27.831 1.00 0.00 O ATOM 358 CB LEU A 25 2.961 19.390 24.560 1.00 0.00 C ATOM 359 CG LEU A 25 3.464 20.782 24.175 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.277 21.024 22.686 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.745 21.852 24.985 1.00 0.00 C ATOM 0 H LEU A 25 4.027 17.163 24.475 1.00 0.00 H new ATOM 0 HA LEU A 25 4.399 19.419 26.158 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.102 18.726 23.707 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.888 19.451 24.743 1.00 0.00 H new ATOM 0 HG LEU A 25 4.529 20.838 24.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.641 22.019 22.431 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.837 20.278 22.123 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.219 20.949 22.435 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.116 22.836 24.698 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.674 21.797 24.791 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.930 21.690 26.047 1.00 0.00 H new ATOM 373 N ILE A 26 1.798 17.485 26.757 1.00 0.00 N ATOM 374 CA ILE A 26 0.771 17.174 27.743 1.00 0.00 C ATOM 375 C ILE A 26 1.391 16.840 29.096 1.00 0.00 C ATOM 376 O ILE A 26 0.938 17.322 30.135 1.00 0.00 O ATOM 377 CB ILE A 26 -0.107 15.993 27.288 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.800 16.325 25.965 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.133 15.653 28.359 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.104 15.107 25.121 1.00 0.00 C ATOM 0 H ILE A 26 1.850 16.826 25.980 1.00 0.00 H new ATOM 0 HA ILE A 26 0.148 18.063 27.841 1.00 0.00 H new ATOM 0 HB ILE A 26 0.531 15.123 27.134 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.730 16.854 26.174 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.168 17.005 25.393 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.746 14.817 28.023 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.620 15.379 29.281 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.769 16.519 28.541 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.595 15.417 24.198 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.175 14.589 24.882 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.761 14.436 25.674 1.00 0.00 H new ATOM 392 N LEU A 27 2.431 16.014 29.076 1.00 0.00 N ATOM 393 CA LEU A 27 3.117 15.617 30.301 1.00 0.00 C ATOM 394 C LEU A 27 3.745 16.824 30.990 1.00 0.00 C ATOM 395 O LEU A 27 3.674 16.963 32.211 1.00 0.00 O ATOM 396 CB LEU A 27 4.193 14.575 29.992 1.00 0.00 C ATOM 397 CG LEU A 27 3.993 13.196 30.623 1.00 0.00 C ATOM 398 CD1 LEU A 27 2.947 12.404 29.854 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.310 12.436 30.673 1.00 0.00 C ATOM 0 H LEU A 27 2.818 15.606 28.225 1.00 0.00 H new ATOM 0 HA LEU A 27 2.380 15.180 30.975 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.252 14.452 28.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.155 14.967 30.321 1.00 0.00 H new ATOM 0 HG LEU A 27 3.637 13.333 31.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.818 11.426 30.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.999 12.941 29.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.273 12.276 28.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.148 11.457 31.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.696 12.309 29.661 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.031 12.996 31.269 1.00 0.00 H new ATOM 411 N LEU A 28 4.358 17.697 30.198 1.00 0.00 N ATOM 412 CA LEU A 28 4.998 18.896 30.731 1.00 0.00 C ATOM 413 C LEU A 28 3.971 19.818 31.380 1.00 0.00 C ATOM 414 O LEU A 28 4.208 20.370 32.455 1.00 0.00 O ATOM 415 CB LEU A 28 5.737 19.640 29.618 1.00 0.00 C ATOM 416 CG LEU A 28 7.253 19.762 29.784 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.934 18.447 29.440 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.795 20.889 28.917 1.00 0.00 C ATOM 0 H LEU A 28 4.426 17.598 29.185 1.00 0.00 H new ATOM 0 HA LEU A 28 5.715 18.588 31.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.534 19.135 28.674 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.318 20.643 29.539 1.00 0.00 H new ATOM 0 HG LEU A 28 7.468 19.997 30.826 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.012 18.552 29.564 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.567 17.663 30.103 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.712 18.182 28.406 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.875 20.961 29.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.569 20.684 27.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.330 21.830 29.211 1.00 0.00 H new ATOM 430 N LEU A 29 2.828 19.979 30.722 1.00 0.00 N ATOM 431 CA LEU A 29 1.763 20.833 31.236 1.00 0.00 C ATOM 432 C LEU A 29 1.202 20.277 32.541 1.00 0.00 C ATOM 433 O LEU A 29 0.981 21.018 33.499 1.00 0.00 O ATOM 434 CB LEU A 29 0.643 20.964 30.202 1.00 0.00 C ATOM 435 CG LEU A 29 0.943 21.859 28.999 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.195 21.798 27.992 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.184 23.293 29.448 1.00 0.00 C ATOM 0 H LEU A 29 2.615 19.529 29.832 1.00 0.00 H new ATOM 0 HA LEU A 29 2.185 21.819 31.433 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.395 19.968 29.836 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.245 21.349 30.704 1.00 0.00 H new ATOM 0 HG LEU A 29 1.849 21.494 28.515 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.036 22.441 27.143 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.321 20.772 27.647 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.117 22.137 28.464 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.396 23.916 28.579 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.296 23.669 29.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.033 23.323 30.131 1.00 0.00 H new ATOM 449 N VAL A 30 0.976 18.968 32.573 1.00 0.00 N ATOM 450 CA VAL A 30 0.444 18.312 33.761 1.00 0.00 C ATOM 451 C VAL A 30 1.398 18.457 34.942 1.00 0.00 C ATOM 452 O VAL A 30 0.979 18.765 36.058 1.00 0.00 O ATOM 453 CB VAL A 30 0.182 16.816 33.507 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.337 16.142 34.768 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.794 16.634 32.355 1.00 0.00 C ATOM 0 H VAL A 30 1.153 18.340 31.789 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.500 18.803 33.998 1.00 0.00 H new ATOM 0 HB VAL A 30 1.124 16.342 33.233 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.516 15.086 34.568 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.401 16.241 35.564 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.269 16.616 35.077 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.967 15.571 32.190 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.738 17.122 32.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.377 17.078 31.451 1.00 0.00 H new ATOM 465 N TYR A 31 2.682 18.232 34.688 1.00 0.00 N ATOM 466 CA TYR A 31 3.697 18.336 35.730 1.00 0.00 C ATOM 467 C TYR A 31 3.888 19.787 36.162 1.00 0.00 C ATOM 468 O TYR A 31 4.055 20.077 37.347 1.00 0.00 O ATOM 469 CB TYR A 31 5.025 17.759 35.238 1.00 0.00 C ATOM 470 CG TYR A 31 5.927 17.279 36.352 1.00 0.00 C ATOM 471 CD1 TYR A 31 5.490 16.327 37.265 1.00 0.00 C ATOM 472 CD2 TYR A 31 7.216 17.778 36.493 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.311 15.886 38.285 1.00 0.00 C ATOM 474 CE2 TYR A 31 8.044 17.342 37.509 1.00 0.00 C ATOM 475 CZ TYR A 31 7.587 16.396 38.403 1.00 0.00 C ATOM 476 OH TYR A 31 8.408 15.960 39.417 1.00 0.00 O ATOM 0 H TYR A 31 3.045 17.976 33.770 1.00 0.00 H new ATOM 0 HA TYR A 31 3.357 17.761 36.591 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.822 16.928 34.563 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.550 18.519 34.659 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.492 15.925 37.176 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.577 18.520 35.796 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.955 15.146 38.986 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.044 17.740 37.603 1.00 0.00 H new ATOM 0 HH TYR A 31 9.273 16.418 39.358 1.00 0.00 H new ATOM 486 N ARG A 32 3.863 20.694 35.191 1.00 0.00 N ATOM 487 CA ARG A 32 4.034 22.115 35.469 1.00 0.00 C ATOM 488 C ARG A 32 2.900 22.638 36.346 1.00 0.00 C ATOM 489 O ARG A 32 3.126 23.422 37.268 1.00 0.00 O ATOM 490 CB ARG A 32 4.090 22.909 34.163 1.00 0.00 C ATOM 491 CG ARG A 32 4.510 24.358 34.348 1.00 0.00 C ATOM 492 CD ARG A 32 5.956 24.576 33.933 1.00 0.00 C ATOM 493 NE ARG A 32 6.059 25.274 32.654 1.00 0.00 N ATOM 494 CZ ARG A 32 7.213 25.637 32.105 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.357 25.369 32.721 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.225 26.268 30.938 1.00 0.00 N ATOM 0 H ARG A 32 3.726 20.470 34.205 1.00 0.00 H new ATOM 0 HA ARG A 32 4.974 22.244 36.005 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.787 22.422 33.481 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.109 22.882 33.689 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.860 25.004 33.759 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.383 24.644 35.392 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.471 25.151 34.702 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.462 23.613 33.862 1.00 0.00 H new ATOM 0 HE ARG A 32 5.197 25.495 32.155 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.352 24.883 33.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.242 25.649 32.298 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.347 26.475 30.461 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.112 26.546 30.518 1.00 0.00 H new