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 7.438 8.815 5.059 1.00 0.00 N ATOM 136 CA ALA A 10 7.162 10.177 5.499 1.00 0.00 C ATOM 137 C ALA A 10 5.984 10.214 6.467 1.00 0.00 C ATOM 138 O ALA A 10 6.024 10.908 7.483 1.00 0.00 O ATOM 139 CB ALA A 10 6.890 11.073 4.300 1.00 0.00 C ATOM 0 HA ALA A 10 8.042 10.548 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.685 12.087 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.762 11.080 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.028 10.695 3.751 1.00 0.00 H new ATOM 145 N VAL A 11 4.936 9.463 6.145 1.00 0.00 N ATOM 146 CA VAL A 11 3.746 9.410 6.987 1.00 0.00 C ATOM 147 C VAL A 11 4.069 8.824 8.357 1.00 0.00 C ATOM 148 O VAL A 11 3.626 9.341 9.383 1.00 0.00 O ATOM 149 CB VAL A 11 2.633 8.571 6.332 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.422 8.482 7.249 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.247 9.159 4.983 1.00 0.00 C ATOM 0 H VAL A 11 4.886 8.883 5.308 1.00 0.00 H new ATOM 0 HA VAL A 11 3.396 10.435 7.106 1.00 0.00 H new ATOM 0 HB VAL A 11 3.011 7.562 6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.646 7.886 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.711 8.013 8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.040 9.484 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.459 8.554 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.887 10.179 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.117 9.166 4.327 1.00 0.00 H new ATOM 161 N ILE A 12 4.843 7.745 8.366 1.00 0.00 N ATOM 162 CA ILE A 12 5.226 7.090 9.611 1.00 0.00 C ATOM 163 C ILE A 12 6.055 8.021 10.489 1.00 0.00 C ATOM 164 O ILE A 12 5.794 8.161 11.683 1.00 0.00 O ATOM 165 CB ILE A 12 6.029 5.803 9.346 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.138 4.747 8.688 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.621 5.271 10.643 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.036 4.239 9.591 1.00 0.00 C ATOM 0 H ILE A 12 5.218 7.305 7.525 1.00 0.00 H new ATOM 0 HA ILE A 12 4.302 6.832 10.129 1.00 0.00 H new ATOM 0 HB ILE A 12 6.848 6.037 8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.693 5.169 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.756 3.906 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.186 4.361 10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.284 6.021 11.075 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.818 5.050 11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.444 3.494 9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.474 3.787 10.481 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.394 5.070 9.885 1.00 0.00 H new ATOM 180 N ALA A 13 7.055 8.657 9.888 1.00 0.00 N ATOM 181 CA ALA A 13 7.921 9.579 10.614 1.00 0.00 C ATOM 182 C ALA A 13 7.123 10.744 11.189 1.00 0.00 C ATOM 183 O ALA A 13 7.336 11.152 12.329 1.00 0.00 O ATOM 184 CB ALA A 13 9.027 10.092 9.704 1.00 0.00 C ATOM 0 H ALA A 13 7.286 8.551 8.900 1.00 0.00 H new ATOM 0 HA ALA A 13 8.372 9.037 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.666 10.779 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.622 9.252 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.586 10.613 8.854 1.00 0.00 H new ATOM 190 N GLY A 14 6.202 11.276 10.390 1.00 0.00 N ATOM 191 CA GLY A 14 5.387 12.390 10.837 1.00 0.00 C ATOM 192 C GLY A 14 4.483 12.019 11.997 1.00 0.00 C ATOM 193 O GLY A 14 4.280 12.814 12.913 1.00 0.00 O ATOM 0 H GLY A 14 6.006 10.955 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.035 13.214 11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.779 12.747 10.006 1.00 0.00 H new ATOM 197 N GLY A 15 3.938 10.807 11.956 1.00 0.00 N ATOM 198 CA GLY A 15 3.056 10.354 13.016 1.00 0.00 C ATOM 199 C GLY A 15 3.790 10.127 14.322 1.00 0.00 C ATOM 200 O GLY A 15 3.290 10.476 15.392 1.00 0.00 O ATOM 0 H GLY A 15 4.091 10.131 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.268 11.091 13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.571 9.427 12.710 1.00 0.00 H new ATOM 204 N VAL A 16 4.978 9.537 14.238 1.00 0.00 N ATOM 205 CA VAL A 16 5.782 9.263 15.423 1.00 0.00 C ATOM 206 C VAL A 16 6.248 10.556 16.082 1.00 0.00 C ATOM 207 O VAL A 16 6.159 10.711 17.300 1.00 0.00 O ATOM 208 CB VAL A 16 7.012 8.402 15.080 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.821 8.103 16.333 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.585 7.115 14.391 1.00 0.00 C ATOM 0 H VAL A 16 5.405 9.239 13.361 1.00 0.00 H new ATOM 0 HA VAL A 16 5.146 8.714 16.117 1.00 0.00 H new ATOM 0 HB VAL A 16 7.646 8.962 14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.686 7.494 16.071 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.158 9.038 16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.200 7.563 17.047 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.466 6.519 14.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.929 6.548 15.052 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.053 7.354 13.470 1.00 0.00 H new ATOM 220 N ILE A 17 6.745 11.482 15.269 1.00 0.00 N ATOM 221 CA ILE A 17 7.224 12.763 15.773 1.00 0.00 C ATOM 222 C ILE A 17 6.088 13.570 16.393 1.00 0.00 C ATOM 223 O ILE A 17 6.233 14.138 17.474 1.00 0.00 O ATOM 224 CB ILE A 17 7.882 13.597 14.658 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.059 12.834 14.048 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.340 14.942 15.202 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.434 13.310 12.662 1.00 0.00 C ATOM 0 H ILE A 17 6.826 11.369 14.259 1.00 0.00 H new ATOM 0 HA ILE A 17 7.969 12.542 16.538 1.00 0.00 H new ATOM 0 HB ILE A 17 7.145 13.776 13.875 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.924 12.932 14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.811 11.774 14.004 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.803 15.520 14.402 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.481 15.488 15.593 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.064 14.784 16.001 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.276 12.725 12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.583 13.186 11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.714 14.363 12.702 1.00 0.00 H new ATOM 239 N GLY A 18 4.954 13.614 15.700 1.00 0.00 N ATOM 240 CA GLY A 18 3.808 14.352 16.198 1.00 0.00 C ATOM 241 C GLY A 18 3.272 13.782 17.496 1.00 0.00 C ATOM 242 O GLY A 18 2.936 14.527 18.418 1.00 0.00 O ATOM 0 H GLY A 18 4.809 13.152 14.803 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.089 15.394 16.351 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.018 14.342 15.447 1.00 0.00 H new ATOM 246 N PHE A 19 3.189 12.458 17.570 1.00 0.00 N ATOM 247 CA PHE A 19 2.686 11.789 18.764 1.00 0.00 C ATOM 248 C PHE A 19 3.609 12.035 19.954 1.00 0.00 C ATOM 249 O PHE A 19 3.150 12.292 21.068 1.00 0.00 O ATOM 250 CB PHE A 19 2.549 10.286 18.513 1.00 0.00 C ATOM 251 CG PHE A 19 1.495 9.631 19.358 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.199 10.121 19.376 1.00 0.00 C ATOM 253 CD2 PHE A 19 1.799 8.525 20.136 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.774 9.520 20.152 1.00 0.00 C ATOM 255 CE2 PHE A 19 0.830 7.920 20.914 1.00 0.00 C ATOM 256 CZ PHE A 19 -0.458 8.418 20.923 1.00 0.00 C ATOM 0 H PHE A 19 3.464 11.827 16.817 1.00 0.00 H new ATOM 0 HA PHE A 19 1.704 12.202 18.996 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.314 10.121 17.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.508 9.805 18.705 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.054 10.983 18.776 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.805 8.131 20.134 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.781 9.911 20.156 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.080 7.058 21.515 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.216 7.947 21.531 1.00 0.00 H new ATOM 266 N LEU A 20 4.913 11.955 19.711 1.00 0.00 N ATOM 267 CA LEU A 20 5.902 12.168 20.762 1.00 0.00 C ATOM 268 C LEU A 20 5.846 13.601 21.280 1.00 0.00 C ATOM 269 O LEU A 20 5.981 13.845 22.479 1.00 0.00 O ATOM 270 CB LEU A 20 7.305 11.857 20.239 1.00 0.00 C ATOM 271 CG LEU A 20 7.875 10.490 20.617 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.193 9.388 19.822 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.380 10.458 20.393 1.00 0.00 C ATOM 0 H LEU A 20 5.310 11.744 18.795 1.00 0.00 H new ATOM 0 HA LEU A 20 5.671 11.494 21.587 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.291 11.934 19.152 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.986 12.626 20.605 1.00 0.00 H new ATOM 0 HG LEU A 20 7.682 10.319 21.676 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.612 8.422 20.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.124 9.395 20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.353 9.555 18.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.768 9.477 20.668 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.596 10.652 19.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.856 11.222 21.008 1.00 0.00 H new ATOM 285 N PHE A 21 5.643 14.547 20.368 1.00 0.00 N ATOM 286 CA PHE A 21 5.567 15.957 20.733 1.00 0.00 C ATOM 287 C PHE A 21 4.309 16.241 21.548 1.00 0.00 C ATOM 288 O PHE A 21 4.349 16.969 22.539 1.00 0.00 O ATOM 289 CB PHE A 21 5.584 16.832 19.478 1.00 0.00 C ATOM 290 CG PHE A 21 6.796 17.714 19.379 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.661 19.089 19.276 1.00 0.00 C ATOM 292 CD2 PHE A 21 8.069 17.168 19.387 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.774 19.904 19.184 1.00 0.00 C ATOM 294 CE2 PHE A 21 9.185 17.978 19.297 1.00 0.00 C ATOM 295 CZ PHE A 21 9.038 19.347 19.194 1.00 0.00 C ATOM 0 H PHE A 21 5.528 14.363 19.371 1.00 0.00 H new ATOM 0 HA PHE A 21 6.437 16.195 21.345 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.538 16.191 18.597 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.689 17.455 19.467 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.675 19.529 19.267 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.191 16.098 19.464 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.655 20.975 19.104 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.172 17.540 19.307 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.909 19.981 19.121 1.00 0.00 H new ATOM 305 N ALA A 22 3.191 15.661 21.121 1.00 0.00 N ATOM 306 CA ALA A 22 1.921 15.850 21.811 1.00 0.00 C ATOM 307 C ALA A 22 1.982 15.301 23.233 1.00 0.00 C ATOM 308 O ALA A 22 1.515 15.942 24.175 1.00 0.00 O ATOM 309 CB ALA A 22 0.795 15.185 21.034 1.00 0.00 C ATOM 0 H ALA A 22 3.140 15.057 20.301 1.00 0.00 H new ATOM 0 HA ALA A 22 1.723 16.920 21.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.148 15.334 21.560 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.729 15.626 20.040 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.996 14.117 20.944 1.00 0.00 H new ATOM 315 N ILE A 23 2.558 14.113 23.379 1.00 0.00 N ATOM 316 CA ILE A 23 2.679 13.480 24.686 1.00 0.00 C ATOM 317 C ILE A 23 3.617 14.268 25.595 1.00 0.00 C ATOM 318 O ILE A 23 3.382 14.384 26.797 1.00 0.00 O ATOM 319 CB ILE A 23 3.195 12.034 24.565 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.244 11.200 23.704 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.354 11.411 25.944 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.900 9.991 23.076 1.00 0.00 C ATOM 0 H ILE A 23 2.948 13.570 22.609 1.00 0.00 H new ATOM 0 HA ILE A 23 1.681 13.466 25.123 1.00 0.00 H new ATOM 0 HB ILE A 23 4.172 12.052 24.081 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.406 10.870 24.318 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.833 11.831 22.916 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.719 10.389 25.842 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.067 11.995 26.527 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.390 11.402 26.453 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.167 9.447 22.480 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.720 10.314 22.435 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.286 9.339 23.859 1.00 0.00 H new ATOM 334 N PHE A 24 4.681 14.809 25.011 1.00 0.00 N ATOM 335 CA PHE A 24 5.655 15.587 25.767 1.00 0.00 C ATOM 336 C PHE A 24 5.042 16.894 26.261 1.00 0.00 C ATOM 337 O PHE A 24 5.289 17.322 27.389 1.00 0.00 O ATOM 338 CB PHE A 24 6.885 15.882 24.904 1.00 0.00 C ATOM 339 CG PHE A 24 8.141 15.232 25.410 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.876 14.386 24.594 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.587 15.466 26.701 1.00 0.00 C ATOM 342 CE1 PHE A 24 10.033 13.787 25.056 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.743 14.870 27.168 1.00 0.00 C ATOM 344 CZ PHE A 24 10.466 14.029 26.345 1.00 0.00 C ATOM 0 H PHE A 24 4.891 14.723 24.016 1.00 0.00 H new ATOM 0 HA PHE A 24 5.959 14.999 26.633 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.695 15.543 23.886 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.037 16.960 24.858 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.541 14.193 23.586 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.025 16.122 27.349 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.597 13.131 24.410 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.081 15.062 28.176 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.369 13.561 26.709 1.00 0.00 H new ATOM 354 N LEU A 25 4.242 17.524 25.408 1.00 0.00 N ATOM 355 CA LEU A 25 3.592 18.783 25.756 1.00 0.00 C ATOM 356 C LEU A 25 2.557 18.576 26.857 1.00 0.00 C ATOM 357 O LEU A 25 2.463 19.372 27.792 1.00 0.00 O ATOM 358 CB LEU A 25 2.925 19.394 24.522 1.00 0.00 C ATOM 359 CG LEU A 25 3.575 20.661 23.966 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.545 21.775 25.001 1.00 0.00 C ATOM 361 CD2 LEU A 25 5.004 20.379 23.525 1.00 0.00 C ATOM 0 H LEU A 25 4.028 17.184 24.471 1.00 0.00 H new ATOM 0 HA LEU A 25 4.356 19.467 26.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.908 18.642 23.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.888 19.620 24.769 1.00 0.00 H new ATOM 0 HG LEU A 25 3.005 20.986 23.096 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.012 22.669 24.587 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.512 21.996 25.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.090 21.460 25.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.450 21.292 23.132 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.585 20.029 24.378 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.001 19.614 22.749 1.00 0.00 H new ATOM 373 N ILE A 26 1.784 17.501 26.741 1.00 0.00 N ATOM 374 CA ILE A 26 0.759 17.188 27.728 1.00 0.00 C ATOM 375 C ILE A 26 1.380 16.881 29.087 1.00 0.00 C ATOM 376 O ILE A 26 0.917 17.370 30.118 1.00 0.00 O ATOM 377 CB ILE A 26 -0.100 15.988 27.286 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.795 16.293 25.957 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.124 15.646 28.359 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.078 15.061 25.127 1.00 0.00 C ATOM 0 H ILE A 26 1.849 16.833 25.973 1.00 0.00 H new ATOM 0 HA ILE A 26 0.123 18.069 27.812 1.00 0.00 H new ATOM 0 HB ILE A 26 0.551 15.126 27.145 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.734 16.810 26.157 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.172 16.976 25.379 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.723 14.796 28.032 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.609 15.392 29.286 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.774 16.505 28.529 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.571 15.352 24.200 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.141 14.555 24.896 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.726 14.386 25.686 1.00 0.00 H new ATOM 392 N LEU A 27 2.431 16.069 29.081 1.00 0.00 N ATOM 393 CA LEU A 27 3.118 15.698 30.313 1.00 0.00 C ATOM 394 C LEU A 27 3.728 16.922 30.987 1.00 0.00 C ATOM 395 O LEU A 27 3.652 17.076 32.206 1.00 0.00 O ATOM 396 CB LEU A 27 4.209 14.666 30.021 1.00 0.00 C ATOM 397 CG LEU A 27 3.870 13.215 30.365 1.00 0.00 C ATOM 398 CD1 LEU A 27 2.813 12.674 29.415 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.121 12.350 30.321 1.00 0.00 C ATOM 0 H LEU A 27 2.826 15.655 28.237 1.00 0.00 H new ATOM 0 HA LEU A 27 2.385 15.261 30.991 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.457 14.719 28.961 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.106 14.949 30.572 1.00 0.00 H new ATOM 0 HG LEU A 27 3.468 13.187 31.378 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.585 11.640 29.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.908 13.277 29.496 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.187 12.716 28.392 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.861 11.321 30.568 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.552 12.385 29.321 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.847 12.724 31.042 1.00 0.00 H new ATOM 411 N LEU A 28 4.331 17.793 30.185 1.00 0.00 N ATOM 412 CA LEU A 28 4.953 19.007 30.703 1.00 0.00 C ATOM 413 C LEU A 28 3.912 19.924 31.338 1.00 0.00 C ATOM 414 O LEU A 28 4.139 20.493 32.406 1.00 0.00 O ATOM 415 CB LEU A 28 5.685 19.747 29.582 1.00 0.00 C ATOM 416 CG LEU A 28 6.988 20.443 29.977 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.604 21.145 28.777 1.00 0.00 C ATOM 418 CD2 LEU A 28 6.743 21.432 31.107 1.00 0.00 C ATOM 0 H LEU A 28 4.402 17.681 29.174 1.00 0.00 H new ATOM 0 HA LEU A 28 5.672 18.718 31.470 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.903 19.035 28.786 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.009 20.494 29.165 1.00 0.00 H new ATOM 0 HG LEU A 28 7.689 19.686 30.328 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.530 21.634 29.078 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.817 20.414 27.997 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.907 21.891 28.395 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.681 21.918 31.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.024 22.185 30.782 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.348 20.903 31.974 1.00 0.00 H new ATOM 430 N LEU A 29 2.769 20.060 30.674 1.00 0.00 N ATOM 431 CA LEU A 29 1.691 20.906 31.175 1.00 0.00 C ATOM 432 C LEU A 29 1.134 20.361 32.486 1.00 0.00 C ATOM 433 O LEU A 29 0.901 21.111 33.433 1.00 0.00 O ATOM 434 CB LEU A 29 0.572 21.008 30.136 1.00 0.00 C ATOM 435 CG LEU A 29 0.474 22.336 29.384 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.152 23.471 30.344 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.766 22.621 28.633 1.00 0.00 C ATOM 0 H LEU A 29 2.565 19.596 29.789 1.00 0.00 H new ATOM 0 HA LEU A 29 2.099 21.900 31.361 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.707 20.209 29.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.379 20.826 30.636 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.336 22.261 28.658 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.086 24.408 29.791 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.800 23.272 30.836 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.939 23.547 31.094 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.678 23.570 28.104 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.594 22.676 29.340 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.954 21.822 27.916 1.00 0.00 H new ATOM 449 N VAL A 30 0.926 19.049 32.534 1.00 0.00 N ATOM 450 CA VAL A 30 0.400 18.402 33.730 1.00 0.00 C ATOM 451 C VAL A 30 1.349 18.575 34.911 1.00 0.00 C ATOM 452 O VAL A 30 0.923 18.892 36.022 1.00 0.00 O ATOM 453 CB VAL A 30 0.159 16.899 33.495 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.355 16.235 34.764 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.812 16.688 32.343 1.00 0.00 C ATOM 0 H VAL A 30 1.114 18.413 31.759 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.551 18.884 33.958 1.00 0.00 H new ATOM 0 HB VAL A 30 1.109 16.435 33.229 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.519 15.174 34.578 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.380 16.355 35.560 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.294 16.701 35.064 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.970 15.620 32.191 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.763 17.166 32.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.399 17.126 31.434 1.00 0.00 H new ATOM 465 N TYR A 31 2.637 18.365 34.663 1.00 0.00 N ATOM 466 CA TYR A 31 3.647 18.496 35.706 1.00 0.00 C ATOM 467 C TYR A 31 3.752 19.941 36.184 1.00 0.00 C ATOM 468 O TYR A 31 3.782 20.209 37.386 1.00 0.00 O ATOM 469 CB TYR A 31 5.006 18.017 35.193 1.00 0.00 C ATOM 470 CG TYR A 31 5.682 17.022 36.108 1.00 0.00 C ATOM 471 CD1 TYR A 31 5.123 15.771 36.341 1.00 0.00 C ATOM 472 CD2 TYR A 31 6.879 17.332 36.741 1.00 0.00 C ATOM 473 CE1 TYR A 31 5.737 14.858 37.177 1.00 0.00 C ATOM 474 CE2 TYR A 31 7.501 16.425 37.577 1.00 0.00 C ATOM 475 CZ TYR A 31 6.926 15.190 37.792 1.00 0.00 C ATOM 476 OH TYR A 31 7.542 14.284 38.626 1.00 0.00 O ATOM 0 H TYR A 31 3.006 18.103 33.749 1.00 0.00 H new ATOM 0 HA TYR A 31 3.345 17.874 36.549 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.875 17.564 34.211 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.660 18.879 35.061 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.192 15.508 35.860 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.331 18.299 36.577 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.289 13.890 37.348 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.432 16.682 38.060 1.00 0.00 H new ATOM 0 HH TYR A 31 8.370 14.673 38.977 1.00 0.00 H new ATOM 486 N ARG A 32 3.806 20.869 35.235 1.00 0.00 N ATOM 487 CA ARG A 32 3.909 22.287 35.557 1.00 0.00 C ATOM 488 C ARG A 32 2.685 22.756 36.340 1.00 0.00 C ATOM 489 O ARG A 32 2.800 23.553 37.271 1.00 0.00 O ATOM 490 CB ARG A 32 4.057 23.114 34.278 1.00 0.00 C ATOM 491 CG ARG A 32 4.347 24.584 34.533 1.00 0.00 C ATOM 492 CD ARG A 32 4.568 25.341 33.233 1.00 0.00 C ATOM 493 NE ARG A 32 3.398 26.128 32.853 1.00 0.00 N ATOM 494 CZ ARG A 32 3.221 26.645 31.642 1.00 0.00 C ATOM 495 NH1 ARG A 32 4.134 26.458 30.699 1.00 0.00 N ATOM 496 NH2 ARG A 32 2.129 27.349 31.373 1.00 0.00 N ATOM 0 H ARG A 32 3.780 20.664 34.236 1.00 0.00 H new ATOM 0 HA ARG A 32 4.794 22.430 36.177 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.861 22.693 33.674 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.141 23.029 33.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.516 25.031 35.079 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.230 24.678 35.165 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.430 26.000 33.339 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.804 24.634 32.437 1.00 0.00 H new ATOM 0 HE ARG A 32 2.677 26.290 33.556 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.974 25.916 30.903 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.996 26.856 29.770 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.424 27.494 32.096 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.994 27.746 30.443 1.00 0.00 H new