USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 137 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N SER A 16 -2.857 -0.090 -1.754 1.00 0.00 N ATOM 217 CA SER A 16 -1.731 -0.314 -0.803 1.00 0.00 C ATOM 218 C SER A 16 -1.798 -1.754 -0.186 1.00 0.00 C ATOM 219 O SER A 16 -2.262 -1.960 0.938 1.00 0.00 O ATOM 220 CB SER A 16 -1.730 0.765 0.320 1.00 0.00 C ATOM 221 OG SER A 16 -1.195 1.996 -0.162 1.00 0.00 O ATOM 0 HA SER A 16 -0.798 -0.226 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.746 0.922 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.141 0.414 1.167 1.00 0.00 H new ATOM 0 HG SER A 16 -1.205 2.661 0.558 1.00 0.00 H new ATOM 227 N ALA A 17 -1.250 -2.752 -0.904 1.00 0.00 N ATOM 228 CA ALA A 17 -0.806 -4.046 -0.288 1.00 0.00 C ATOM 229 C ALA A 17 0.422 -4.673 -1.035 1.00 0.00 C ATOM 230 O ALA A 17 1.297 -5.240 -0.372 1.00 0.00 O ATOM 231 CB ALA A 17 -1.982 -5.049 -0.249 1.00 0.00 C ATOM 0 H ALA A 17 -1.098 -2.701 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.483 -3.826 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.648 -5.984 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.796 -4.632 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.332 -5.239 -1.264 1.00 0.00 H new ATOM 237 N PHE A 18 0.535 -4.609 -2.385 1.00 0.00 N ATOM 238 CA PHE A 18 1.846 -4.812 -3.086 1.00 0.00 C ATOM 239 C PHE A 18 2.839 -3.615 -2.883 1.00 0.00 C ATOM 240 O PHE A 18 4.013 -3.850 -2.590 1.00 0.00 O ATOM 241 CB PHE A 18 1.557 -5.088 -4.590 1.00 0.00 C ATOM 242 CG PHE A 18 2.759 -5.705 -5.330 1.00 0.00 C ATOM 243 CD1 PHE A 18 2.979 -7.087 -5.280 1.00 0.00 C ATOM 244 CD2 PHE A 18 3.675 -4.890 -6.003 1.00 0.00 C ATOM 245 CE1 PHE A 18 4.106 -7.642 -5.882 1.00 0.00 C ATOM 246 CE2 PHE A 18 4.801 -5.446 -6.605 1.00 0.00 C ATOM 247 CZ PHE A 18 5.016 -6.821 -6.543 1.00 0.00 C ATOM 0 H PHE A 18 -0.249 -4.422 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 18 2.353 -5.670 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.703 -5.760 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.277 -4.154 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.271 -7.726 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.508 -3.824 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.274 -8.708 -5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.507 -4.811 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.890 -7.251 -7.009 1.00 0.00 H new ATOM 257 N LEU A 19 2.364 -2.357 -2.955 1.00 0.00 N ATOM 258 CA LEU A 19 3.105 -1.157 -2.462 1.00 0.00 C ATOM 259 C LEU A 19 3.616 -1.293 -0.979 1.00 0.00 C ATOM 260 O LEU A 19 4.791 -1.032 -0.732 1.00 0.00 O ATOM 261 CB LEU A 19 2.156 0.073 -2.621 1.00 0.00 C ATOM 262 CG LEU A 19 1.991 0.689 -4.040 1.00 0.00 C ATOM 263 CD1 LEU A 19 1.145 -0.171 -5.001 1.00 0.00 C ATOM 264 CD2 LEU A 19 1.335 2.078 -3.938 1.00 0.00 C ATOM 0 H LEU A 19 1.453 -2.133 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 19 4.012 -1.038 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.168 -0.220 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.513 0.859 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 19 2.998 0.749 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.076 0.326 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.615 -1.146 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.145 -0.301 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.223 2.502 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.354 1.984 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.962 2.733 -3.334 1.00 0.00 H new ATOM 276 N GLU A 20 2.793 -1.754 -0.015 1.00 0.00 N ATOM 277 CA GLU A 20 3.236 -2.091 1.363 1.00 0.00 C ATOM 278 C GLU A 20 4.245 -3.281 1.488 1.00 0.00 C ATOM 279 O GLU A 20 5.200 -3.141 2.256 1.00 0.00 O ATOM 280 CB GLU A 20 1.940 -2.377 2.178 1.00 0.00 C ATOM 281 CG GLU A 20 1.165 -1.123 2.655 1.00 0.00 C ATOM 282 CD GLU A 20 -0.143 -1.407 3.400 1.00 0.00 C ATOM 283 OE1 GLU A 20 -0.550 -2.524 3.709 1.00 0.00 O ATOM 284 OE2 GLU A 20 -0.822 -0.262 3.678 1.00 0.00 O ATOM 0 H GLU A 20 1.796 -1.905 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 20 3.808 -1.246 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.273 -2.985 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.204 -2.974 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.816 -0.540 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.942 -0.502 1.788 1.00 0.00 H new ATOM 292 N ARG A 21 4.111 -4.399 0.740 1.00 0.00 N ATOM 293 CA ARG A 21 5.192 -5.418 0.600 1.00 0.00 C ATOM 294 C ARG A 21 6.565 -4.845 0.078 1.00 0.00 C ATOM 295 O ARG A 21 7.612 -5.244 0.595 1.00 0.00 O ATOM 296 CB ARG A 21 4.668 -6.554 -0.325 1.00 0.00 C ATOM 297 CG ARG A 21 3.819 -7.611 0.432 1.00 0.00 C ATOM 298 CD ARG A 21 3.120 -8.648 -0.466 1.00 0.00 C ATOM 299 NE ARG A 21 1.918 -8.026 -1.078 1.00 0.00 N ATOM 300 CZ ARG A 21 1.132 -8.596 -1.985 1.00 0.00 C ATOM 301 NH1 ARG A 21 1.297 -9.805 -2.448 1.00 0.00 N ATOM 302 NH2 ARG A 21 0.136 -7.911 -2.448 1.00 0.00 N ATOM 0 H ARG A 21 3.263 -4.625 0.219 1.00 0.00 H new ATOM 0 HA ARG A 21 5.420 -5.797 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.067 -6.117 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.516 -7.049 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.464 -8.138 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.062 -7.093 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.802 -8.994 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.835 -9.522 0.120 1.00 0.00 H new ATOM 0 HE ARG A 21 1.676 -7.082 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.071 -10.378 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.652 -10.177 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.028 -6.961 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.485 -8.322 -3.145 1.00 0.00 H new ATOM 316 N LEU A 22 6.572 -3.873 -0.857 1.00 0.00 N ATOM 317 CA LEU A 22 7.766 -3.069 -1.196 1.00 0.00 C ATOM 318 C LEU A 22 8.228 -2.100 -0.046 1.00 0.00 C ATOM 319 O LEU A 22 9.440 -1.991 0.156 1.00 0.00 O ATOM 320 CB LEU A 22 7.469 -2.264 -2.498 1.00 0.00 C ATOM 321 CG LEU A 22 7.188 -3.067 -3.800 1.00 0.00 C ATOM 322 CD1 LEU A 22 6.735 -2.122 -4.926 1.00 0.00 C ATOM 323 CD2 LEU A 22 8.406 -3.880 -4.273 1.00 0.00 C ATOM 0 H LEU A 22 5.746 -3.622 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 22 8.595 -3.762 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.607 -1.624 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.318 -1.607 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 22 6.393 -3.774 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.542 -2.699 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.823 -1.606 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.518 -1.389 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.151 -4.420 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.239 -3.205 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.692 -4.591 -3.498 1.00 0.00 H new ATOM 335 N LYS A 23 7.336 -1.424 0.723 1.00 0.00 N ATOM 336 CA LYS A 23 7.761 -0.547 1.863 1.00 0.00 C ATOM 337 C LYS A 23 8.456 -1.310 3.041 1.00 0.00 C ATOM 338 O LYS A 23 9.453 -0.804 3.559 1.00 0.00 O ATOM 339 CB LYS A 23 6.526 0.220 2.427 1.00 0.00 C ATOM 340 CG LYS A 23 5.848 1.282 1.524 1.00 0.00 C ATOM 341 CD LYS A 23 6.730 2.507 1.188 1.00 0.00 C ATOM 342 CE LYS A 23 6.053 3.557 0.284 1.00 0.00 C ATOM 343 NZ LYS A 23 5.040 4.351 1.034 1.00 0.00 N ATOM 0 H LYS A 23 6.326 -1.463 0.583 1.00 0.00 H new ATOM 0 HA LYS A 23 8.503 0.135 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.771 -0.518 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.833 0.714 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.543 0.805 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.940 1.630 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.031 2.988 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.641 2.160 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.809 4.226 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.575 3.059 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.604 5.048 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.306 3.715 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.502 4.846 1.824 1.00 0.00 H new ATOM 357 N GLU A 24 7.965 -2.493 3.461 1.00 0.00 N ATOM 358 CA GLU A 24 8.660 -3.360 4.445 1.00 0.00 C ATOM 359 C GLU A 24 9.977 -4.024 3.904 1.00 0.00 C ATOM 360 O GLU A 24 10.936 -4.131 4.671 1.00 0.00 O ATOM 361 CB GLU A 24 7.642 -4.407 4.991 1.00 0.00 C ATOM 362 CG GLU A 24 6.956 -5.423 4.036 1.00 0.00 C ATOM 363 CD GLU A 24 7.663 -6.740 3.715 1.00 0.00 C ATOM 364 OE1 GLU A 24 8.754 -7.083 4.162 1.00 0.00 O ATOM 365 OE2 GLU A 24 6.926 -7.509 2.866 1.00 0.00 O ATOM 0 H GLU A 24 7.079 -2.877 3.132 1.00 0.00 H new ATOM 0 HA GLU A 24 9.011 -2.727 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.158 -4.986 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.849 -3.852 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.983 -5.668 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.770 -4.912 3.091 1.00 0.00 H new ATOM 373 N ALA A 25 10.073 -4.423 2.615 1.00 0.00 N ATOM 374 CA ALA A 25 11.349 -4.814 1.970 1.00 0.00 C ATOM 375 C ALA A 25 12.435 -3.676 1.931 1.00 0.00 C ATOM 376 O ALA A 25 13.558 -3.893 2.400 1.00 0.00 O ATOM 377 CB ALA A 25 10.978 -5.304 0.555 1.00 0.00 C ATOM 0 H ALA A 25 9.268 -4.483 1.992 1.00 0.00 H new ATOM 0 HA ALA A 25 11.828 -5.594 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.882 -5.608 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.299 -6.153 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.491 -4.498 0.007 1.00 0.00 H new ATOM 383 N TYR A 26 12.093 -2.465 1.442 1.00 0.00 N ATOM 384 CA TYR A 26 12.977 -1.275 1.500 1.00 0.00 C ATOM 385 C TYR A 26 13.157 -0.610 2.917 1.00 0.00 C ATOM 386 O TYR A 26 14.009 0.271 3.053 1.00 0.00 O ATOM 387 CB TYR A 26 12.404 -0.229 0.491 1.00 0.00 C ATOM 388 CG TYR A 26 12.541 -0.556 -1.013 1.00 0.00 C ATOM 389 CD1 TYR A 26 13.794 -0.837 -1.571 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.417 -0.530 -1.847 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.918 -1.107 -2.931 1.00 0.00 C ATOM 392 CE2 TYR A 26 11.540 -0.803 -3.207 1.00 0.00 C ATOM 393 CZ TYR A 26 12.791 -1.091 -3.747 1.00 0.00 C ATOM 394 OH TYR A 26 12.924 -1.345 -5.086 1.00 0.00 O ATOM 0 H TYR A 26 11.195 -2.282 0.994 1.00 0.00 H new ATOM 0 HA TYR A 26 13.980 -1.617 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.346 -0.090 0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.897 0.725 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.671 -0.844 -0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.447 -0.297 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.888 -1.329 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.667 -0.791 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 26 12.045 -1.298 -5.517 1.00 0.00 H new ATOM 404 N ARG A 27 12.433 -1.006 3.981 1.00 0.00 N ATOM 405 CA ARG A 27 12.823 -0.698 5.390 1.00 0.00 C ATOM 406 C ARG A 27 13.406 -1.962 6.119 1.00 0.00 C ATOM 407 O ARG A 27 12.960 -2.349 7.203 1.00 0.00 O ATOM 408 CB ARG A 27 11.548 -0.097 6.060 1.00 0.00 C ATOM 409 CG ARG A 27 11.813 0.865 7.244 1.00 0.00 C ATOM 410 CD ARG A 27 12.429 2.236 6.873 1.00 0.00 C ATOM 411 NE ARG A 27 11.486 3.106 6.108 1.00 0.00 N ATOM 412 CZ ARG A 27 11.526 3.346 4.794 1.00 0.00 C ATOM 413 NH1 ARG A 27 12.351 2.760 3.962 1.00 0.00 N ATOM 414 NH2 ARG A 27 10.685 4.209 4.302 1.00 0.00 N ATOM 0 H ARG A 27 11.569 -1.543 3.901 1.00 0.00 H new ATOM 0 HA ARG A 27 13.638 0.023 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.976 0.437 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.922 -0.917 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.871 1.040 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.479 0.368 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.733 2.751 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.330 2.076 6.281 1.00 0.00 H new ATOM 0 HE ARG A 27 10.742 3.559 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.019 2.071 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.325 2.993 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.020 4.680 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.691 4.414 3.303 1.00 0.00 H new ATOM 428 N ARG A 28 14.434 -2.595 5.512 1.00 0.00 N ATOM 429 CA ARG A 28 15.112 -3.812 6.037 1.00 0.00 C ATOM 430 C ARG A 28 16.425 -4.139 5.242 1.00 0.00 C ATOM 431 O ARG A 28 17.383 -4.591 5.871 1.00 0.00 O ATOM 432 CB ARG A 28 14.139 -5.035 6.018 1.00 0.00 C ATOM 433 CG ARG A 28 14.719 -6.349 6.615 1.00 0.00 C ATOM 434 CD ARG A 28 13.711 -7.483 6.881 1.00 0.00 C ATOM 435 NE ARG A 28 13.080 -7.999 5.629 1.00 0.00 N ATOM 436 CZ ARG A 28 11.840 -7.733 5.220 1.00 0.00 C ATOM 437 NH1 ARG A 28 11.019 -6.941 5.856 1.00 0.00 N ATOM 438 NH2 ARG A 28 11.413 -8.281 4.123 1.00 0.00 N ATOM 0 H ARG A 28 14.827 -2.273 4.627 1.00 0.00 H new ATOM 0 HA ARG A 28 15.398 -3.607 7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.237 -4.771 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.838 -5.224 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.484 -6.724 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.217 -6.107 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.218 -8.302 7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.933 -7.121 7.553 1.00 0.00 H new ATOM 0 HE ARG A 28 13.646 -8.607 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.316 -6.485 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.081 -6.778 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.024 -8.902 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.467 -8.091 3.792 1.00 0.00 H new ATOM 452 N TYR A 29 16.499 -3.952 3.903 1.00 0.00 N ATOM 453 CA TYR A 29 17.734 -4.221 3.097 1.00 0.00 C ATOM 454 C TYR A 29 19.070 -3.508 3.550 1.00 0.00 C ATOM 455 O TYR A 29 20.143 -4.083 3.353 1.00 0.00 O ATOM 456 CB TYR A 29 17.358 -3.877 1.619 1.00 0.00 C ATOM 457 CG TYR A 29 17.278 -2.414 1.103 1.00 0.00 C ATOM 458 CD1 TYR A 29 16.739 -1.363 1.858 1.00 0.00 C ATOM 459 CD2 TYR A 29 17.731 -2.147 -0.194 1.00 0.00 C ATOM 460 CE1 TYR A 29 16.680 -0.074 1.339 1.00 0.00 C ATOM 461 CE2 TYR A 29 17.659 -0.859 -0.718 1.00 0.00 C ATOM 462 CZ TYR A 29 17.136 0.176 0.050 1.00 0.00 C ATOM 463 OH TYR A 29 17.034 1.435 -0.475 1.00 0.00 O ATOM 0 H TYR A 29 15.715 -3.613 3.346 1.00 0.00 H new ATOM 0 HA TYR A 29 18.003 -5.267 3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.078 -4.394 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.384 -4.329 1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 29 16.366 -1.556 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 29 18.140 -2.947 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.280 0.732 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.009 -0.664 -1.721 1.00 0.00 H new ATOM 0 HH TYR A 29 17.399 1.441 -1.384 1.00 0.00 H new ATOM 473 N THR A 30 19.021 -2.319 4.181 1.00 0.00 N ATOM 474 CA THR A 30 20.138 -1.802 5.025 1.00 0.00 C ATOM 475 C THR A 30 19.863 -2.189 6.531 1.00 0.00 C ATOM 476 O THR A 30 18.752 -1.924 7.011 1.00 0.00 O ATOM 477 CB THR A 30 20.299 -0.256 4.825 1.00 0.00 C ATOM 478 OG1 THR A 30 21.374 0.206 5.639 1.00 0.00 O ATOM 479 CG2 THR A 30 19.092 0.635 5.188 1.00 0.00 C ATOM 0 H THR A 30 18.220 -1.689 4.127 1.00 0.00 H new ATOM 0 HA THR A 30 21.082 -2.257 4.725 1.00 0.00 H new ATOM 0 HB THR A 30 20.449 -0.158 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.483 1.172 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 19.342 1.679 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 30 18.234 0.352 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 30 18.847 0.504 6.242 1.00 0.00 H new