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 -67:sc= 1.3 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 -12:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 216 N SER A 16 -1.910 -0.448 -3.118 1.00 0.00 N ATOM 217 CA SER A 16 -1.438 -0.342 -1.712 1.00 0.00 C ATOM 218 C SER A 16 -0.915 -1.667 -1.072 1.00 0.00 C ATOM 219 O SER A 16 0.182 -1.639 -0.518 1.00 0.00 O ATOM 220 CB SER A 16 -2.607 0.234 -0.876 1.00 0.00 C ATOM 221 OG SER A 16 -2.166 0.598 0.434 1.00 0.00 O ATOM 0 HA SER A 16 -0.563 0.308 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.024 1.106 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.406 -0.504 -0.803 1.00 0.00 H new ATOM 0 HG SER A 16 -1.914 -0.209 0.930 1.00 0.00 H new ATOM 227 N ALA A 17 -1.625 -2.811 -1.153 1.00 0.00 N ATOM 228 CA ALA A 17 -1.104 -4.108 -0.632 1.00 0.00 C ATOM 229 C ALA A 17 0.163 -4.689 -1.357 1.00 0.00 C ATOM 230 O ALA A 17 0.937 -5.418 -0.727 1.00 0.00 O ATOM 231 CB ALA A 17 -2.290 -5.083 -0.728 1.00 0.00 C ATOM 0 H ALA A 17 -2.554 -2.872 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.739 -3.952 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.986 -6.063 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.117 -4.711 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.609 -5.167 -1.767 1.00 0.00 H new ATOM 237 N PHE A 18 0.401 -4.389 -2.648 1.00 0.00 N ATOM 238 CA PHE A 18 1.731 -4.597 -3.296 1.00 0.00 C ATOM 239 C PHE A 18 2.806 -3.528 -2.891 1.00 0.00 C ATOM 240 O PHE A 18 3.919 -3.912 -2.523 1.00 0.00 O ATOM 241 CB PHE A 18 1.452 -4.650 -4.826 1.00 0.00 C ATOM 242 CG PHE A 18 2.650 -5.117 -5.667 1.00 0.00 C ATOM 243 CD1 PHE A 18 3.012 -6.469 -5.694 1.00 0.00 C ATOM 244 CD2 PHE A 18 3.409 -4.189 -6.389 1.00 0.00 C ATOM 245 CE1 PHE A 18 4.122 -6.884 -6.425 1.00 0.00 C ATOM 246 CE2 PHE A 18 4.514 -4.608 -7.126 1.00 0.00 C ATOM 247 CZ PHE A 18 4.874 -5.953 -7.139 1.00 0.00 C ATOM 0 H PHE A 18 -0.306 -4.000 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 18 2.185 -5.526 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.611 -5.319 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.149 -3.659 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.428 -7.193 -5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.137 -3.144 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.400 -7.927 -6.439 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.092 -3.889 -7.688 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.737 -6.275 -7.703 1.00 0.00 H new ATOM 257 N LEU A 19 2.483 -2.224 -2.904 1.00 0.00 N ATOM 258 CA LEU A 19 3.375 -1.149 -2.372 1.00 0.00 C ATOM 259 C LEU A 19 3.742 -1.280 -0.849 1.00 0.00 C ATOM 260 O LEU A 19 4.841 -0.873 -0.479 1.00 0.00 O ATOM 261 CB LEU A 19 2.684 0.223 -2.669 1.00 0.00 C ATOM 262 CG LEU A 19 3.081 0.964 -3.977 1.00 0.00 C ATOM 263 CD1 LEU A 19 4.547 1.439 -3.969 1.00 0.00 C ATOM 264 CD2 LEU A 19 2.791 0.162 -5.258 1.00 0.00 C ATOM 0 H LEU A 19 1.602 -1.873 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 19 4.337 -1.238 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.607 0.058 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.888 0.889 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 19 2.435 1.842 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.769 1.950 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.703 2.125 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.208 0.579 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.095 0.744 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.349 -0.774 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.724 -0.052 -5.319 1.00 0.00 H new ATOM 276 N GLU A 20 2.899 -1.846 0.033 1.00 0.00 N ATOM 277 CA GLU A 20 3.261 -2.180 1.431 1.00 0.00 C ATOM 278 C GLU A 20 4.216 -3.408 1.578 1.00 0.00 C ATOM 279 O GLU A 20 5.181 -3.297 2.337 1.00 0.00 O ATOM 280 CB GLU A 20 1.927 -2.397 2.205 1.00 0.00 C ATOM 281 CG GLU A 20 1.106 -1.110 2.490 1.00 0.00 C ATOM 282 CD GLU A 20 -0.346 -1.364 2.892 1.00 0.00 C ATOM 283 OE1 GLU A 20 -1.302 -1.216 2.134 1.00 0.00 O ATOM 284 OE2 GLU A 20 -0.464 -1.745 4.194 1.00 0.00 O ATOM 0 H GLU A 20 1.937 -2.089 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 20 3.839 -1.354 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.304 -3.086 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.152 -2.882 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.597 -0.549 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.119 -0.481 1.600 1.00 0.00 H new ATOM 292 N ARG A 21 4.032 -4.517 0.826 1.00 0.00 N ATOM 293 CA ARG A 21 5.082 -5.556 0.641 1.00 0.00 C ATOM 294 C ARG A 21 6.457 -5.005 0.098 1.00 0.00 C ATOM 295 O ARG A 21 7.508 -5.434 0.582 1.00 0.00 O ATOM 296 CB ARG A 21 4.506 -6.650 -0.304 1.00 0.00 C ATOM 297 CG ARG A 21 3.518 -7.628 0.388 1.00 0.00 C ATOM 298 CD ARG A 21 2.879 -8.667 -0.555 1.00 0.00 C ATOM 299 NE ARG A 21 1.784 -8.037 -1.341 1.00 0.00 N ATOM 300 CZ ARG A 21 1.061 -8.637 -2.284 1.00 0.00 C ATOM 301 NH1 ARG A 21 1.254 -9.874 -2.670 1.00 0.00 N ATOM 302 NH2 ARG A 21 0.111 -7.956 -2.854 1.00 0.00 N ATOM 0 H ARG A 21 3.162 -4.720 0.333 1.00 0.00 H new ATOM 0 HA ARG A 21 5.324 -5.964 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.997 -6.165 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.332 -7.223 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.045 -8.154 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.725 -7.049 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.634 -9.072 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.487 -9.503 0.024 1.00 0.00 H new ATOM 0 HE ARG A 21 1.569 -7.061 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.992 -10.433 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.666 -10.278 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.062 -6.990 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.461 -8.387 -3.580 1.00 0.00 H new ATOM 316 N LEU A 22 6.463 -4.026 -0.831 1.00 0.00 N ATOM 317 CA LEU A 22 7.669 -3.263 -1.216 1.00 0.00 C ATOM 318 C LEU A 22 8.209 -2.309 -0.091 1.00 0.00 C ATOM 319 O LEU A 22 9.429 -2.251 0.073 1.00 0.00 O ATOM 320 CB LEU A 22 7.342 -2.448 -2.504 1.00 0.00 C ATOM 321 CG LEU A 22 7.078 -3.238 -3.817 1.00 0.00 C ATOM 322 CD1 LEU A 22 6.623 -2.279 -4.930 1.00 0.00 C ATOM 323 CD2 LEU A 22 8.317 -4.013 -4.303 1.00 0.00 C ATOM 0 H LEU A 22 5.625 -3.741 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 22 8.468 -3.983 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.463 -1.837 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.171 -1.764 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 22 6.295 -3.963 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.441 -2.843 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.705 -1.777 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.400 -1.536 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.075 -4.546 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.132 -3.314 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.622 -4.728 -3.539 1.00 0.00 H new ATOM 335 N LYS A 23 7.372 -1.580 0.686 1.00 0.00 N ATOM 336 CA LYS A 23 7.877 -0.640 1.738 1.00 0.00 C ATOM 337 C LYS A 23 8.474 -1.348 3.001 1.00 0.00 C ATOM 338 O LYS A 23 9.461 -0.835 3.532 1.00 0.00 O ATOM 339 CB LYS A 23 6.721 0.319 2.145 1.00 0.00 C ATOM 340 CG LYS A 23 6.474 1.471 1.137 1.00 0.00 C ATOM 341 CD LYS A 23 5.355 2.459 1.532 1.00 0.00 C ATOM 342 CE LYS A 23 3.930 1.887 1.396 1.00 0.00 C ATOM 343 NZ LYS A 23 2.930 2.939 1.723 1.00 0.00 N ATOM 0 H LYS A 23 6.355 -1.617 0.613 1.00 0.00 H new ATOM 0 HA LYS A 23 8.710 -0.088 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.803 -0.259 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.944 0.747 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.402 2.029 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.229 1.038 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.511 2.774 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.437 3.351 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.770 1.523 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.806 1.034 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.971 2.547 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.077 3.266 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.042 3.740 1.069 1.00 0.00 H new ATOM 357 N GLU A 24 7.950 -2.501 3.471 1.00 0.00 N ATOM 358 CA GLU A 24 8.639 -3.343 4.485 1.00 0.00 C ATOM 359 C GLU A 24 9.998 -3.965 3.988 1.00 0.00 C ATOM 360 O GLU A 24 10.946 -4.020 4.773 1.00 0.00 O ATOM 361 CB GLU A 24 7.643 -4.429 4.989 1.00 0.00 C ATOM 362 CG GLU A 24 7.203 -5.552 4.013 1.00 0.00 C ATOM 363 CD GLU A 24 6.152 -6.494 4.592 1.00 0.00 C ATOM 364 OE1 GLU A 24 6.419 -7.523 5.203 1.00 0.00 O ATOM 365 OE2 GLU A 24 4.882 -6.067 4.351 1.00 0.00 O ATOM 0 H GLU A 24 7.051 -2.874 3.166 1.00 0.00 H new ATOM 0 HA GLU A 24 8.934 -2.697 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.089 -4.906 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.743 -3.918 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.809 -5.097 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.079 -6.133 3.724 1.00 0.00 H new ATOM 373 N ALA A 25 10.130 -4.365 2.702 1.00 0.00 N ATOM 374 CA ALA A 25 11.429 -4.690 2.077 1.00 0.00 C ATOM 375 C ALA A 25 12.416 -3.471 2.011 1.00 0.00 C ATOM 376 O ALA A 25 13.506 -3.561 2.579 1.00 0.00 O ATOM 377 CB ALA A 25 11.111 -5.262 0.679 1.00 0.00 C ATOM 0 H ALA A 25 9.337 -4.471 2.070 1.00 0.00 H new ATOM 0 HA ALA A 25 11.961 -5.419 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.040 -5.520 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.494 -6.155 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.573 -4.516 0.094 1.00 0.00 H new ATOM 383 N TYR A 26 12.036 -2.324 1.406 1.00 0.00 N ATOM 384 CA TYR A 26 12.867 -1.088 1.372 1.00 0.00 C ATOM 385 C TYR A 26 13.239 -0.497 2.776 1.00 0.00 C ATOM 386 O TYR A 26 14.354 -0.001 2.923 1.00 0.00 O ATOM 387 CB TYR A 26 12.104 0.003 0.553 1.00 0.00 C ATOM 388 CG TYR A 26 11.647 -0.239 -0.907 1.00 0.00 C ATOM 389 CD1 TYR A 26 12.214 -1.216 -1.735 1.00 0.00 C ATOM 390 CD2 TYR A 26 10.614 0.559 -1.414 1.00 0.00 C ATOM 391 CE1 TYR A 26 11.745 -1.405 -3.033 1.00 0.00 C ATOM 392 CE2 TYR A 26 10.148 0.373 -2.714 1.00 0.00 C ATOM 393 CZ TYR A 26 10.714 -0.609 -3.521 1.00 0.00 C ATOM 394 OH TYR A 26 10.240 -0.797 -4.791 1.00 0.00 O ATOM 0 H TYR A 26 11.142 -2.223 0.924 1.00 0.00 H new ATOM 0 HA TYR A 26 13.812 -1.375 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.211 0.258 1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.739 0.889 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.022 -1.829 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.175 1.325 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.181 -2.169 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.348 0.991 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 26 9.520 -0.157 -4.969 1.00 0.00 H new ATOM 404 N ARG A 27 12.367 -0.566 3.803 1.00 0.00 N ATOM 405 CA ARG A 27 12.758 -0.275 5.212 1.00 0.00 C ATOM 406 C ARG A 27 13.702 -1.334 5.885 1.00 0.00 C ATOM 407 O ARG A 27 14.452 -0.949 6.786 1.00 0.00 O ATOM 408 CB ARG A 27 11.429 -0.093 5.998 1.00 0.00 C ATOM 409 CG ARG A 27 11.549 0.550 7.406 1.00 0.00 C ATOM 410 CD ARG A 27 12.170 1.964 7.469 1.00 0.00 C ATOM 411 NE ARG A 27 11.330 2.981 6.774 1.00 0.00 N ATOM 412 CZ ARG A 27 11.587 3.552 5.594 1.00 0.00 C ATOM 413 NH1 ARG A 27 12.667 3.336 4.883 1.00 0.00 N ATOM 414 NH2 ARG A 27 10.706 4.383 5.117 1.00 0.00 N ATOM 0 H ARG A 27 11.386 -0.820 3.690 1.00 0.00 H new ATOM 0 HA ARG A 27 13.374 0.624 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.757 0.520 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.958 -1.070 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.553 0.595 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.145 -0.112 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.301 2.255 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.161 1.944 7.016 1.00 0.00 H new ATOM 0 HE ARG A 27 10.474 3.270 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.382 2.693 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.792 3.811 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.853 4.579 5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.868 4.838 4.219 1.00 0.00 H new ATOM 428 N ARG A 28 13.744 -2.613 5.451 1.00 0.00 N ATOM 429 CA ARG A 28 14.827 -3.556 5.816 1.00 0.00 C ATOM 430 C ARG A 28 16.261 -3.149 5.302 1.00 0.00 C ATOM 431 O ARG A 28 17.245 -3.461 5.979 1.00 0.00 O ATOM 432 CB ARG A 28 14.389 -4.952 5.275 1.00 0.00 C ATOM 433 CG ARG A 28 15.360 -6.138 5.516 1.00 0.00 C ATOM 434 CD ARG A 28 15.711 -6.398 6.998 1.00 0.00 C ATOM 435 NE ARG A 28 16.820 -7.384 7.125 1.00 0.00 N ATOM 436 CZ ARG A 28 18.124 -7.093 7.080 1.00 0.00 C ATOM 437 NH1 ARG A 28 18.605 -5.895 6.836 1.00 0.00 N ATOM 438 NH2 ARG A 28 18.973 -8.059 7.284 1.00 0.00 N ATOM 0 H ARG A 28 13.034 -3.020 4.842 1.00 0.00 H new ATOM 0 HA ARG A 28 14.948 -3.556 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.429 -5.204 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.224 -4.862 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.917 -7.042 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.282 -5.951 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.997 -5.461 7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.830 -6.768 7.523 1.00 0.00 H new ATOM 0 HE ARG A 28 16.563 -8.362 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.970 -5.115 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.614 -5.745 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.636 -9.003 7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.975 -7.871 7.257 1.00 0.00 H new ATOM 452 N TYR A 29 16.377 -2.495 4.133 1.00 0.00 N ATOM 453 CA TYR A 29 17.659 -1.948 3.600 1.00 0.00 C ATOM 454 C TYR A 29 17.629 -0.388 3.364 1.00 0.00 C ATOM 455 O TYR A 29 18.253 0.116 2.425 1.00 0.00 O ATOM 456 CB TYR A 29 18.012 -2.763 2.308 1.00 0.00 C ATOM 457 CG TYR A 29 16.943 -3.138 1.261 1.00 0.00 C ATOM 458 CD1 TYR A 29 16.585 -2.243 0.250 1.00 0.00 C ATOM 459 CD2 TYR A 29 16.345 -4.403 1.305 1.00 0.00 C ATOM 460 CE1 TYR A 29 15.645 -2.612 -0.709 1.00 0.00 C ATOM 461 CE2 TYR A 29 15.397 -4.765 0.352 1.00 0.00 C ATOM 462 CZ TYR A 29 15.051 -3.871 -0.659 1.00 0.00 C ATOM 463 OH TYR A 29 14.109 -4.218 -1.590 1.00 0.00 O ATOM 0 H TYR A 29 15.582 -2.324 3.518 1.00 0.00 H new ATOM 0 HA TYR A 29 18.447 -2.071 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.783 -2.200 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.468 -3.696 2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 29 17.038 -1.263 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.620 -5.101 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 29 15.376 -1.920 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.930 -5.738 0.396 1.00 0.00 H new ATOM 0 HH TYR A 29 13.795 -5.130 -1.414 1.00 0.00 H new ATOM 473 N THR A 30 16.998 0.408 4.253 1.00 0.00 N ATOM 474 CA THR A 30 17.135 1.899 4.299 1.00 0.00 C ATOM 475 C THR A 30 16.449 2.368 5.644 1.00 0.00 C ATOM 476 O THR A 30 15.217 2.274 5.754 1.00 0.00 O ATOM 477 CB THR A 30 16.474 2.653 3.103 1.00 0.00 C ATOM 478 OG1 THR A 30 16.969 2.184 1.853 1.00 0.00 O ATOM 479 CG2 THR A 30 16.740 4.169 3.093 1.00 0.00 C ATOM 0 H THR A 30 16.371 0.041 4.970 1.00 0.00 H new ATOM 0 HA THR A 30 18.196 2.140 4.239 1.00 0.00 H new ATOM 0 HB THR A 30 15.410 2.459 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 30 17.757 1.621 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 30 16.247 4.619 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.348 4.613 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.813 4.350 3.032 1.00 0.00 H new