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 8.895 5.191 1.00 0.00 N ATOM 136 CA ALA A 10 6.919 10.236 5.614 1.00 0.00 C ATOM 137 C ALA A 10 5.709 10.196 6.541 1.00 0.00 C ATOM 138 O ALA A 10 5.637 10.943 7.517 1.00 0.00 O ATOM 139 CB ALA A 10 6.629 11.109 4.402 1.00 0.00 C ATOM 0 HA ALA A 10 7.753 10.667 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.345 12.108 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.521 11.173 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.814 10.672 3.826 1.00 0.00 H new ATOM 145 N VAL A 11 4.760 9.319 6.230 1.00 0.00 N ATOM 146 CA VAL A 11 3.552 9.181 7.036 1.00 0.00 C ATOM 147 C VAL A 11 3.877 8.637 8.422 1.00 0.00 C ATOM 148 O VAL A 11 3.431 9.181 9.433 1.00 0.00 O ATOM 149 CB VAL A 11 2.529 8.251 6.358 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.280 8.115 7.216 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.178 8.767 4.970 1.00 0.00 C ATOM 0 H VAL A 11 4.804 8.693 5.426 1.00 0.00 H new ATOM 0 HA VAL A 11 3.119 10.177 7.132 1.00 0.00 H new ATOM 0 HB VAL A 11 2.977 7.263 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.569 7.454 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.549 7.697 8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.827 9.096 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.454 8.098 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.749 9.766 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.079 8.808 4.358 1.00 0.00 H new ATOM 161 N ILE A 12 4.655 7.561 8.463 1.00 0.00 N ATOM 162 CA ILE A 12 5.040 6.944 9.726 1.00 0.00 C ATOM 163 C ILE A 12 5.900 7.889 10.559 1.00 0.00 C ATOM 164 O ILE A 12 5.705 8.019 11.767 1.00 0.00 O ATOM 165 CB ILE A 12 5.812 5.631 9.499 1.00 0.00 C ATOM 166 CG1 ILE A 12 6.230 5.022 10.839 1.00 0.00 C ATOM 167 CG2 ILE A 12 7.029 5.877 8.620 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.582 3.553 10.751 1.00 0.00 C ATOM 0 H ILE A 12 5.031 7.098 7.636 1.00 0.00 H new ATOM 0 HA ILE A 12 4.118 6.725 10.265 1.00 0.00 H new ATOM 0 HB ILE A 12 5.157 4.925 8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.089 5.571 11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.419 5.151 11.556 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.564 4.940 8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.708 6.271 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.688 6.597 9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.869 3.188 11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.718 2.993 10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.413 3.419 10.059 1.00 0.00 H new ATOM 180 N ALA A 13 6.851 8.547 9.905 1.00 0.00 N ATOM 181 CA ALA A 13 7.738 9.483 10.584 1.00 0.00 C ATOM 182 C ALA A 13 6.955 10.647 11.181 1.00 0.00 C ATOM 183 O ALA A 13 7.198 11.055 12.316 1.00 0.00 O ATOM 184 CB ALA A 13 8.800 9.996 9.623 1.00 0.00 C ATOM 0 H ALA A 13 7.027 8.449 8.905 1.00 0.00 H new ATOM 0 HA ALA A 13 8.228 8.953 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.455 10.694 10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.387 9.158 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.319 10.504 8.787 1.00 0.00 H new ATOM 190 N GLY A 14 6.014 11.180 10.407 1.00 0.00 N ATOM 191 CA GLY A 14 5.210 12.294 10.876 1.00 0.00 C ATOM 192 C GLY A 14 4.333 11.919 12.054 1.00 0.00 C ATOM 193 O GLY A 14 4.145 12.714 12.975 1.00 0.00 O ATOM 0 H GLY A 14 5.794 10.860 9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.866 13.116 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.583 12.655 10.060 1.00 0.00 H new ATOM 197 N GLY A 15 3.793 10.705 12.026 1.00 0.00 N ATOM 198 CA GLY A 15 2.935 10.249 13.105 1.00 0.00 C ATOM 199 C GLY A 15 3.697 10.024 14.395 1.00 0.00 C ATOM 200 O GLY A 15 3.216 10.363 15.476 1.00 0.00 O ATOM 0 H GLY A 15 3.934 10.029 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.148 10.984 13.275 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.446 9.321 12.809 1.00 0.00 H new ATOM 204 N VAL A 16 4.890 9.448 14.284 1.00 0.00 N ATOM 205 CA VAL A 16 5.720 9.177 15.451 1.00 0.00 C ATOM 206 C VAL A 16 6.189 10.472 16.105 1.00 0.00 C ATOM 207 O VAL A 16 6.100 10.631 17.323 1.00 0.00 O ATOM 208 CB VAL A 16 6.951 8.328 15.080 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.795 8.043 16.313 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.521 7.033 14.407 1.00 0.00 C ATOM 0 H VAL A 16 5.303 9.160 13.397 1.00 0.00 H new ATOM 0 HA VAL A 16 5.102 8.620 16.156 1.00 0.00 H new ATOM 0 HB VAL A 16 7.561 8.892 14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.660 7.442 16.031 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.133 8.984 16.748 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.198 7.499 17.045 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.403 6.445 14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.889 6.462 15.087 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.963 7.263 13.499 1.00 0.00 H new ATOM 220 N ILE A 17 6.686 11.394 15.289 1.00 0.00 N ATOM 221 CA ILE A 17 7.166 12.677 15.788 1.00 0.00 C ATOM 222 C ILE A 17 6.029 13.492 16.394 1.00 0.00 C ATOM 223 O ILE A 17 6.171 14.070 17.471 1.00 0.00 O ATOM 224 CB ILE A 17 7.835 13.501 14.671 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.308 13.113 14.534 1.00 0.00 C ATOM 226 CG2 ILE A 17 7.697 14.989 14.957 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.522 11.787 13.839 1.00 0.00 C ATOM 0 H ILE A 17 6.767 11.277 14.279 1.00 0.00 H new ATOM 0 HA ILE A 17 7.904 12.459 16.560 1.00 0.00 H new ATOM 0 HB ILE A 17 7.333 13.284 13.728 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.831 13.893 13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.758 13.071 15.526 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.174 15.559 14.160 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.641 15.253 15.009 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.177 15.223 15.907 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.590 11.577 13.777 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.028 10.996 14.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.102 11.831 12.834 1.00 0.00 H new ATOM 239 N GLY A 18 4.898 13.531 15.696 1.00 0.00 N ATOM 240 CA GLY A 18 3.752 14.276 16.182 1.00 0.00 C ATOM 241 C GLY A 18 3.211 13.723 17.486 1.00 0.00 C ATOM 242 O GLY A 18 2.875 14.479 18.397 1.00 0.00 O ATOM 0 H GLY A 18 4.755 13.060 14.803 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.034 15.319 16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.964 14.257 15.429 1.00 0.00 H new ATOM 246 N PHE A 19 3.125 12.400 17.575 1.00 0.00 N ATOM 247 CA PHE A 19 2.619 11.746 18.776 1.00 0.00 C ATOM 248 C PHE A 19 3.540 12.003 19.964 1.00 0.00 C ATOM 249 O PHE A 19 3.080 12.277 21.073 1.00 0.00 O ATOM 250 CB PHE A 19 2.478 10.241 18.541 1.00 0.00 C ATOM 251 CG PHE A 19 1.085 9.820 18.166 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.336 9.022 19.016 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.526 10.223 16.964 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.946 8.633 18.674 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.756 9.838 16.618 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.492 9.041 17.473 1.00 0.00 C ATOM 0 H PHE A 19 3.399 11.760 16.830 1.00 0.00 H new ATOM 0 HA PHE A 19 1.638 12.165 19.002 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.165 9.939 17.751 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.778 9.711 19.445 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.758 8.700 19.956 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.098 10.844 16.290 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.520 8.011 19.345 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.182 10.160 15.679 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.493 8.737 17.203 1.00 0.00 H new ATOM 266 N LEU A 20 4.844 11.911 19.725 1.00 0.00 N ATOM 267 CA LEU A 20 5.832 12.132 20.776 1.00 0.00 C ATOM 268 C LEU A 20 5.778 13.571 21.279 1.00 0.00 C ATOM 269 O LEU A 20 5.916 13.827 22.475 1.00 0.00 O ATOM 270 CB LEU A 20 7.235 11.812 20.259 1.00 0.00 C ATOM 271 CG LEU A 20 7.773 10.421 20.595 1.00 0.00 C ATOM 272 CD1 LEU A 20 9.123 10.196 19.930 1.00 0.00 C ATOM 273 CD2 LEU A 20 7.883 10.241 22.102 1.00 0.00 C ATOM 0 H LEU A 20 5.242 11.685 18.813 1.00 0.00 H new ATOM 0 HA LEU A 20 5.598 11.467 21.607 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.236 11.928 19.175 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.926 12.554 20.660 1.00 0.00 H new ATOM 0 HG LEU A 20 7.073 9.679 20.211 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.491 9.201 20.180 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.015 10.282 18.849 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.832 10.944 20.284 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.268 9.245 22.322 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.562 10.990 22.509 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.899 10.358 22.555 1.00 0.00 H new ATOM 285 N PHE A 21 5.575 14.507 20.358 1.00 0.00 N ATOM 286 CA PHE A 21 5.502 15.921 20.708 1.00 0.00 C ATOM 287 C PHE A 21 4.245 16.216 21.521 1.00 0.00 C ATOM 288 O PHE A 21 4.287 16.958 22.501 1.00 0.00 O ATOM 289 CB PHE A 21 5.519 16.783 19.443 1.00 0.00 C ATOM 290 CG PHE A 21 6.267 18.074 19.608 1.00 0.00 C ATOM 291 CD1 PHE A 21 5.630 19.289 19.414 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.609 18.074 19.956 1.00 0.00 C ATOM 293 CE1 PHE A 21 6.316 20.480 19.566 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.299 19.261 20.109 1.00 0.00 C ATOM 295 CZ PHE A 21 7.653 20.465 19.912 1.00 0.00 C ATOM 0 H PHE A 21 5.458 14.312 19.364 1.00 0.00 H new ATOM 0 HA PHE A 21 6.373 16.164 21.317 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.969 16.213 18.630 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.493 17.002 19.148 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.585 19.306 19.141 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.121 17.135 20.109 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.807 21.420 19.414 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.344 19.247 20.383 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.192 21.394 20.028 1.00 0.00 H new ATOM 305 N ALA A 22 3.127 15.629 21.105 1.00 0.00 N ATOM 306 CA ALA A 22 1.858 15.827 21.794 1.00 0.00 C ATOM 307 C ALA A 22 1.923 15.303 23.225 1.00 0.00 C ATOM 308 O ALA A 22 1.470 15.964 24.159 1.00 0.00 O ATOM 309 CB ALA A 22 0.731 15.146 21.031 1.00 0.00 C ATOM 0 H ALA A 22 3.075 15.012 20.294 1.00 0.00 H new ATOM 0 HA ALA A 22 1.658 16.898 21.835 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.211 15.302 21.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.662 15.570 20.029 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.934 14.077 20.959 1.00 0.00 H new ATOM 315 N ILE A 23 2.489 14.112 23.388 1.00 0.00 N ATOM 316 CA ILE A 23 2.613 13.500 24.706 1.00 0.00 C ATOM 317 C ILE A 23 3.564 14.295 25.594 1.00 0.00 C ATOM 318 O ILE A 23 3.342 14.426 26.798 1.00 0.00 O ATOM 319 CB ILE A 23 3.116 12.047 24.607 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.096 11.181 23.865 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.387 11.485 25.994 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.787 11.021 24.606 1.00 0.00 C ATOM 0 H ILE A 23 2.869 13.552 22.625 1.00 0.00 H new ATOM 0 HA ILE A 23 1.617 13.502 25.150 1.00 0.00 H new ATOM 0 HB ILE A 23 4.049 12.038 24.044 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.900 11.622 22.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.528 10.196 23.689 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.742 10.458 25.908 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.146 12.090 26.490 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.468 11.503 26.580 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.112 10.396 24.022 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.971 10.552 25.572 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.333 12.000 24.759 1.00 0.00 H new ATOM 334 N PHE A 24 4.622 14.828 24.991 1.00 0.00 N ATOM 335 CA PHE A 24 5.607 15.612 25.727 1.00 0.00 C ATOM 336 C PHE A 24 5.003 16.927 26.211 1.00 0.00 C ATOM 337 O PHE A 24 5.267 17.370 27.330 1.00 0.00 O ATOM 338 CB PHE A 24 6.827 15.891 24.848 1.00 0.00 C ATOM 339 CG PHE A 24 8.082 15.225 25.336 1.00 0.00 C ATOM 340 CD1 PHE A 24 9.111 15.973 25.884 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.232 13.850 25.245 1.00 0.00 C ATOM 342 CE1 PHE A 24 10.267 15.362 26.334 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.385 13.235 25.693 1.00 0.00 C ATOM 344 CZ PHE A 24 10.405 13.991 26.237 1.00 0.00 C ATOM 0 H PHE A 24 4.819 14.731 23.995 1.00 0.00 H new ATOM 0 HA PHE A 24 5.919 15.034 26.597 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.618 15.555 23.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.992 16.967 24.800 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.009 17.045 25.961 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.439 13.253 24.819 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.061 15.956 26.761 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.489 12.163 25.618 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.308 13.512 26.586 1.00 0.00 H new ATOM 354 N LEU A 25 4.191 17.546 25.362 1.00 0.00 N ATOM 355 CA LEU A 25 3.549 18.812 25.701 1.00 0.00 C ATOM 356 C LEU A 25 2.532 18.623 26.822 1.00 0.00 C ATOM 357 O LEU A 25 2.463 19.426 27.752 1.00 0.00 O ATOM 358 CB LEU A 25 2.863 19.405 24.469 1.00 0.00 C ATOM 359 CG LEU A 25 3.787 20.016 23.415 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.176 19.883 22.029 1.00 0.00 C ATOM 361 CD2 LEU A 25 4.072 21.475 23.738 1.00 0.00 C ATOM 0 H LEU A 25 3.961 17.192 24.433 1.00 0.00 H new ATOM 0 HA LEU A 25 4.320 19.501 26.047 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.272 18.622 23.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.165 20.174 24.801 1.00 0.00 H new ATOM 0 HG LEU A 25 4.731 19.472 23.426 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.847 20.323 21.292 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.024 18.829 21.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.218 20.402 22.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.731 21.894 22.978 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.136 22.033 23.755 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.553 21.544 24.714 1.00 0.00 H new ATOM 373 N ILE A 26 1.747 17.555 26.728 1.00 0.00 N ATOM 374 CA ILE A 26 0.736 17.259 27.736 1.00 0.00 C ATOM 375 C ILE A 26 1.378 16.952 29.084 1.00 0.00 C ATOM 376 O ILE A 26 0.941 17.454 30.121 1.00 0.00 O ATOM 377 CB ILE A 26 -0.145 16.067 27.316 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.977 16.429 26.085 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.046 15.645 28.467 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.011 17.501 26.347 1.00 0.00 C ATOM 0 H ILE A 26 1.792 16.880 25.964 1.00 0.00 H new ATOM 0 HA ILE A 26 0.111 18.148 27.828 1.00 0.00 H new ATOM 0 HB ILE A 26 0.501 15.228 27.059 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.309 16.766 25.292 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.479 15.533 25.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.663 14.802 28.156 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.434 15.352 29.320 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.688 16.479 28.751 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.563 17.706 25.430 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.702 17.159 27.118 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.514 18.411 26.683 1.00 0.00 H new ATOM 392 N LEU A 27 2.419 16.127 29.064 1.00 0.00 N ATOM 393 CA LEU A 27 3.124 15.755 30.285 1.00 0.00 C ATOM 394 C LEU A 27 3.759 16.976 30.942 1.00 0.00 C ATOM 395 O LEU A 27 3.723 17.127 32.164 1.00 0.00 O ATOM 396 CB LEU A 27 4.199 14.710 29.979 1.00 0.00 C ATOM 397 CG LEU A 27 3.988 13.328 30.599 1.00 0.00 C ATOM 398 CD1 LEU A 27 2.922 12.558 29.835 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.295 12.550 30.624 1.00 0.00 C ATOM 0 H LEU A 27 2.793 15.703 28.215 1.00 0.00 H new ATOM 0 HA LEU A 27 2.398 15.329 30.978 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.267 14.594 28.897 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.160 15.096 30.319 1.00 0.00 H new ATOM 0 HG LEU A 27 3.647 13.459 31.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.785 11.577 30.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.982 13.108 29.869 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.234 12.436 28.798 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.126 11.569 31.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.666 12.428 29.606 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.031 13.094 31.215 1.00 0.00 H new ATOM 411 N LEU A 28 4.339 17.847 30.123 1.00 0.00 N ATOM 412 CA LEU A 28 4.980 19.058 30.624 1.00 0.00 C ATOM 413 C LEU A 28 3.956 19.995 31.256 1.00 0.00 C ATOM 414 O LEU A 28 4.215 20.608 32.293 1.00 0.00 O ATOM 415 CB LEU A 28 5.714 19.776 29.490 1.00 0.00 C ATOM 416 CG LEU A 28 6.984 20.531 29.884 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.789 20.904 28.649 1.00 0.00 C ATOM 418 CD2 LEU A 28 6.638 21.773 30.693 1.00 0.00 C ATOM 0 H LEU A 28 4.379 17.737 29.110 1.00 0.00 H new ATOM 0 HA LEU A 28 5.700 18.768 31.389 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.974 19.040 28.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.024 20.482 29.028 1.00 0.00 H new ATOM 0 HG LEU A 28 7.594 19.876 30.506 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.689 21.441 28.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.069 19.999 28.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.187 21.540 28.001 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.554 22.297 30.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.006 22.431 30.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.105 21.481 31.598 1.00 0.00 H new ATOM 430 N LEU A 29 2.791 20.101 30.626 1.00 0.00 N ATOM 431 CA LEU A 29 1.725 20.962 31.128 1.00 0.00 C ATOM 432 C LEU A 29 1.209 20.461 32.474 1.00 0.00 C ATOM 433 O LEU A 29 1.087 21.229 33.428 1.00 0.00 O ATOM 434 CB LEU A 29 0.577 21.025 30.120 1.00 0.00 C ATOM 435 CG LEU A 29 0.119 22.426 29.711 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.459 23.168 30.906 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.275 23.208 29.103 1.00 0.00 C ATOM 0 H LEU A 29 2.560 19.602 29.767 1.00 0.00 H new ATOM 0 HA LEU A 29 2.134 21.963 31.266 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.879 20.486 29.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.277 20.493 30.539 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.663 22.327 28.958 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.780 24.163 30.596 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.314 22.617 31.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.302 23.257 31.682 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.931 24.202 28.818 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.078 23.298 29.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.644 22.685 28.221 1.00 0.00 H new ATOM 449 N VAL A 30 0.909 19.168 32.543 1.00 0.00 N ATOM 450 CA VAL A 30 0.409 18.564 33.772 1.00 0.00 C ATOM 451 C VAL A 30 1.465 18.601 34.871 1.00 0.00 C ATOM 452 O VAL A 30 1.142 18.720 36.053 1.00 0.00 O ATOM 453 CB VAL A 30 -0.027 17.105 33.543 1.00 0.00 C ATOM 454 CG1 VAL A 30 1.153 16.259 33.090 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.651 16.531 34.806 1.00 0.00 C ATOM 0 H VAL A 30 1.004 18.519 31.762 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.456 19.149 34.083 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.779 17.089 32.754 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.825 15.231 32.933 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.551 16.659 32.157 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.930 16.279 33.854 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.953 15.499 34.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.077 16.560 35.617 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.524 17.122 35.081 1.00 0.00 H new ATOM 465 N TYR A 31 2.728 18.498 34.474 1.00 0.00 N ATOM 466 CA TYR A 31 3.833 18.517 35.425 1.00 0.00 C ATOM 467 C TYR A 31 3.958 19.886 36.087 1.00 0.00 C ATOM 468 O TYR A 31 3.917 20.002 37.312 1.00 0.00 O ATOM 469 CB TYR A 31 5.143 18.155 34.725 1.00 0.00 C ATOM 470 CG TYR A 31 5.595 16.735 34.982 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.931 16.445 35.232 1.00 0.00 C ATOM 472 CD2 TYR A 31 4.687 15.684 34.973 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.349 15.149 35.466 1.00 0.00 C ATOM 474 CE2 TYR A 31 5.095 14.386 35.208 1.00 0.00 C ATOM 475 CZ TYR A 31 6.427 14.123 35.454 1.00 0.00 C ATOM 476 OH TYR A 31 6.838 12.831 35.687 1.00 0.00 O ATOM 0 H TYR A 31 3.012 18.400 33.499 1.00 0.00 H new ATOM 0 HA TYR A 31 3.626 17.777 36.198 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.024 18.301 33.651 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.923 18.841 35.055 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.655 17.246 35.244 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.644 15.886 34.779 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.391 14.941 35.657 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.375 13.581 35.199 1.00 0.00 H new ATOM 0 HH TYR A 31 6.066 12.229 35.645 1.00 0.00 H new ATOM 486 N ARG A 32 4.109 20.921 35.266 1.00 0.00 N ATOM 487 CA ARG A 32 4.241 22.283 35.770 1.00 0.00 C ATOM 488 C ARG A 32 3.076 22.637 36.690 1.00 0.00 C ATOM 489 O ARG A 32 3.264 23.266 37.731 1.00 0.00 O ATOM 490 CB ARG A 32 4.307 23.275 34.608 1.00 0.00 C ATOM 491 CG ARG A 32 5.681 23.370 33.965 1.00 0.00 C ATOM 492 CD ARG A 32 6.446 24.586 34.463 1.00 0.00 C ATOM 493 NE ARG A 32 7.355 25.113 33.448 1.00 0.00 N ATOM 494 CZ ARG A 32 8.534 24.571 33.165 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.945 23.492 33.816 1.00 0.00 N ATOM 496 NH2 ARG A 32 9.305 25.109 32.228 1.00 0.00 N ATOM 0 H ARG A 32 4.143 20.842 34.250 1.00 0.00 H new ATOM 0 HA ARG A 32 5.166 22.344 36.343 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.580 22.983 33.850 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.014 24.262 34.967 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.250 22.466 34.184 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.574 23.425 32.882 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.740 25.363 34.757 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.014 24.318 35.354 1.00 0.00 H new ATOM 0 HE ARG A 32 7.069 25.943 32.928 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.355 23.076 34.537 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.851 23.078 33.596 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.992 25.939 31.725 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.210 24.692 32.011 1.00 0.00 H new