USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 161 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 71:sc= 0.0271 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.575 2.166 -0.343 1.00 0.00 N ATOM 179 CA PRO A 12 21.387 2.383 0.894 1.00 0.00 C ATOM 180 C PRO A 12 22.355 1.234 1.160 1.00 0.00 C ATOM 181 O PRO A 12 23.567 1.431 1.178 1.00 0.00 O ATOM 182 CB PRO A 12 20.359 2.522 2.028 1.00 0.00 C ATOM 183 CG PRO A 12 19.065 2.041 1.467 1.00 0.00 C ATOM 184 CD PRO A 12 19.136 2.277 -0.038 1.00 0.00 C ATOM 0 HA PRO A 12 22.019 3.266 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.652 1.931 2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.280 3.557 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.914 0.984 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.226 2.581 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.552 1.538 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.744 3.258 -0.308 1.00 0.00 H new ATOM 192 N THR A 13 21.822 0.030 1.338 1.00 0.00 N ATOM 193 CA THR A 13 22.662 -1.123 1.667 1.00 0.00 C ATOM 194 C THR A 13 23.767 -1.364 0.631 1.00 0.00 C ATOM 195 O THR A 13 24.782 -1.986 0.944 1.00 0.00 O ATOM 196 CB THR A 13 21.796 -2.380 1.781 1.00 0.00 C ATOM 197 OG1 THR A 13 21.181 -2.644 0.528 1.00 0.00 O ATOM 198 CG2 THR A 13 20.719 -2.172 2.848 1.00 0.00 C ATOM 0 H THR A 13 20.826 -0.175 1.262 1.00 0.00 H new ATOM 0 HA THR A 13 23.145 -0.903 2.619 1.00 0.00 H new ATOM 0 HB THR A 13 22.422 -3.226 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.627 -3.450 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.105 -3.069 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.193 -1.973 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.091 -1.326 2.571 1.00 0.00 H new ATOM 206 N SER A 14 23.621 -0.818 -0.573 1.00 0.00 N ATOM 207 CA SER A 14 24.548 -1.124 -1.658 1.00 0.00 C ATOM 208 C SER A 14 25.798 -0.273 -1.510 1.00 0.00 C ATOM 209 O SER A 14 26.918 -0.782 -1.456 1.00 0.00 O ATOM 210 CB SER A 14 23.894 -0.845 -3.011 1.00 0.00 C ATOM 211 OG SER A 14 24.798 -1.201 -4.049 1.00 0.00 O ATOM 0 H SER A 14 22.876 -0.167 -0.821 1.00 0.00 H new ATOM 0 HA SER A 14 24.814 -2.180 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.970 -1.415 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.628 0.209 -3.090 1.00 0.00 H new ATOM 0 HG SER A 14 24.383 -1.025 -4.919 1.00 0.00 H new ATOM 217 N ILE A 15 25.586 1.031 -1.400 1.00 0.00 N ATOM 218 CA ILE A 15 26.692 1.945 -1.144 1.00 0.00 C ATOM 219 C ILE A 15 27.344 1.621 0.202 1.00 0.00 C ATOM 220 O ILE A 15 28.558 1.749 0.352 1.00 0.00 O ATOM 221 CB ILE A 15 26.213 3.401 -1.187 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.185 3.656 -0.078 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.577 3.683 -2.550 1.00 0.00 C ATOM 224 CD1 ILE A 15 24.814 5.141 -0.048 1.00 0.00 C ATOM 0 H ILE A 15 24.672 1.476 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 15 27.439 1.817 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 15 27.066 4.062 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 15 24.294 3.052 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.594 3.354 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 25.235 4.717 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 15 26.313 3.518 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 15 24.729 3.015 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 15 24.083 5.318 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 25.707 5.735 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 15 24.387 5.429 -1.009 1.00 0.00 H new ATOM 236 N LEU A 16 26.548 1.155 1.166 1.00 0.00 N ATOM 237 CA LEU A 16 27.098 0.719 2.446 1.00 0.00 C ATOM 238 C LEU A 16 27.997 -0.502 2.256 1.00 0.00 C ATOM 239 O LEU A 16 29.033 -0.624 2.905 1.00 0.00 O ATOM 240 CB LEU A 16 25.966 0.383 3.420 1.00 0.00 C ATOM 241 CG LEU A 16 25.199 1.658 3.776 1.00 0.00 C ATOM 242 CD1 LEU A 16 23.928 1.289 4.545 1.00 0.00 C ATOM 243 CD2 LEU A 16 26.077 2.552 4.653 1.00 0.00 C ATOM 0 H LEU A 16 25.535 1.071 1.085 1.00 0.00 H new ATOM 0 HA LEU A 16 27.695 1.533 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.291 -0.346 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.373 -0.073 4.323 1.00 0.00 H new ATOM 0 HG LEU A 16 24.933 2.189 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.380 2.196 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.301 0.648 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.197 0.759 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.532 3.461 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.341 2.019 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.986 2.814 4.111 1.00 0.00 H new ATOM 255 N LEU A 17 27.613 -1.395 1.346 1.00 0.00 N ATOM 256 CA LEU A 17 28.376 -2.619 1.122 1.00 0.00 C ATOM 257 C LEU A 17 29.779 -2.277 0.631 1.00 0.00 C ATOM 258 O LEU A 17 30.774 -2.800 1.134 1.00 0.00 O ATOM 259 CB LEU A 17 27.658 -3.490 0.079 1.00 0.00 C ATOM 260 CG LEU A 17 27.932 -4.991 0.283 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.436 -5.286 0.298 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.305 -5.460 1.599 1.00 0.00 C ATOM 0 H LEU A 17 26.786 -1.295 0.757 1.00 0.00 H new ATOM 0 HA LEU A 17 28.454 -3.168 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.585 -3.308 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.980 -3.197 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 17 27.486 -5.531 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.596 -6.354 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.876 -4.979 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.907 -4.734 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.502 -6.523 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.737 -4.900 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.228 -5.292 1.569 1.00 0.00 H new ATOM 274 N LEU A 18 29.853 -1.372 -0.338 1.00 0.00 N ATOM 275 CA LEU A 18 31.143 -0.939 -0.862 1.00 0.00 C ATOM 276 C LEU A 18 31.971 -0.303 0.248 1.00 0.00 C ATOM 277 O LEU A 18 33.166 -0.571 0.374 1.00 0.00 O ATOM 278 CB LEU A 18 30.950 0.066 -2.000 1.00 0.00 C ATOM 279 CG LEU A 18 30.571 -0.675 -3.285 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.079 -1.012 -3.263 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.873 0.216 -4.492 1.00 0.00 C ATOM 0 H LEU A 18 29.044 -0.928 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 18 31.668 -1.812 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.170 0.781 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.866 0.636 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 18 31.149 -1.597 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.812 -1.539 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.862 -1.645 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.499 -0.092 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.604 -0.309 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.294 1.137 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.936 0.456 -4.510 1.00 0.00 H new ATOM 293 N LEU A 19 31.322 0.517 1.068 1.00 0.00 N ATOM 294 CA LEU A 19 32.011 1.157 2.183 1.00 0.00 C ATOM 295 C LEU A 19 32.608 0.108 3.118 1.00 0.00 C ATOM 296 O LEU A 19 33.729 0.258 3.601 1.00 0.00 O ATOM 297 CB LEU A 19 31.034 2.044 2.959 1.00 0.00 C ATOM 298 CG LEU A 19 31.789 2.826 4.036 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.652 3.902 3.375 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.784 3.492 4.978 1.00 0.00 C ATOM 0 H LEU A 19 30.333 0.752 0.984 1.00 0.00 H new ATOM 0 HA LEU A 19 32.819 1.771 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.535 2.734 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.258 1.431 3.418 1.00 0.00 H new ATOM 0 HG LEU A 19 32.425 2.145 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.190 4.459 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.367 3.431 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.015 4.584 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.320 4.050 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.150 4.173 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.165 2.728 5.449 1.00 0.00 H new ATOM 312 N ALA A 20 31.869 -0.974 3.343 1.00 0.00 N ATOM 313 CA ALA A 20 32.314 -2.009 4.270 1.00 0.00 C ATOM 314 C ALA A 20 33.601 -2.662 3.776 1.00 0.00 C ATOM 315 O ALA A 20 34.570 -2.791 4.524 1.00 0.00 O ATOM 316 CB ALA A 20 31.228 -3.075 4.424 1.00 0.00 C ATOM 0 H ALA A 20 30.968 -1.156 2.901 1.00 0.00 H new ATOM 0 HA ALA A 20 32.507 -1.542 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.569 -3.844 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.319 -2.615 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.022 -3.527 3.454 1.00 0.00 H new ATOM 322 N CYS A 21 33.622 -3.032 2.501 1.00 0.00 N ATOM 323 CA CYS A 21 34.765 -3.747 1.949 1.00 0.00 C ATOM 324 C CYS A 21 36.024 -2.895 2.041 1.00 0.00 C ATOM 325 O CYS A 21 37.045 -3.327 2.576 1.00 0.00 O ATOM 326 CB CYS A 21 34.499 -4.111 0.487 1.00 0.00 C ATOM 327 SG CYS A 21 33.128 -5.291 0.400 1.00 0.00 S ATOM 0 H CYS A 21 32.869 -2.851 1.837 1.00 0.00 H new ATOM 0 HA CYS A 21 34.913 -4.658 2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.258 -3.214 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.394 -4.543 0.040 1.00 0.00 H new ATOM 0 HG CYS A 21 32.017 -4.688 0.702 1.00 0.00 H new ATOM 333 N ILE A 22 35.932 -1.662 1.553 1.00 0.00 N ATOM 334 CA ILE A 22 37.099 -0.787 1.517 1.00 0.00 C ATOM 335 C ILE A 22 37.628 -0.508 2.924 1.00 0.00 C ATOM 336 O ILE A 22 38.839 -0.431 3.131 1.00 0.00 O ATOM 337 CB ILE A 22 36.764 0.520 0.788 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.036 1.360 0.638 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.712 1.318 1.562 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.807 2.451 -0.410 1.00 0.00 C ATOM 0 H ILE A 22 35.076 -1.251 1.182 1.00 0.00 H new ATOM 0 HA ILE A 22 37.888 -1.298 0.966 1.00 0.00 H new ATOM 0 HB ILE A 22 36.361 0.278 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.302 1.810 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.871 0.725 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.489 2.241 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.802 0.725 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 22 36.094 1.557 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.712 3.049 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.561 1.990 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.984 3.092 -0.094 1.00 0.00 H new ATOM 352 N PHE A 23 36.728 -0.396 3.897 1.00 0.00 N ATOM 353 CA PHE A 23 37.135 -0.110 5.267 1.00 0.00 C ATOM 354 C PHE A 23 38.014 -1.234 5.806 1.00 0.00 C ATOM 355 O PHE A 23 39.096 -0.992 6.340 1.00 0.00 O ATOM 356 CB PHE A 23 35.896 0.053 6.150 1.00 0.00 C ATOM 357 CG PHE A 23 36.200 0.568 7.537 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.473 -0.329 8.575 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.208 1.947 7.782 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.752 0.152 9.860 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.487 2.427 9.066 1.00 0.00 C ATOM 362 CZ PHE A 23 36.759 1.530 10.106 1.00 0.00 C ATOM 0 H PHE A 23 35.722 -0.498 3.763 1.00 0.00 H new ATOM 0 HA PHE A 23 37.709 0.816 5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.201 0.737 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.391 -0.909 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.469 -1.392 8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.999 2.639 6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.962 -0.540 10.662 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.493 3.490 9.255 1.00 0.00 H new ATOM 0 HZ PHE A 23 36.974 1.901 11.097 1.00 0.00 H new ATOM 372 N LEU A 24 37.564 -2.471 5.623 1.00 0.00 N ATOM 373 CA LEU A 24 38.303 -3.621 6.137 1.00 0.00 C ATOM 374 C LEU A 24 39.711 -3.654 5.550 1.00 0.00 C ATOM 375 O LEU A 24 40.688 -3.905 6.258 1.00 0.00 O ATOM 376 CB LEU A 24 37.570 -4.918 5.787 1.00 0.00 C ATOM 377 CG LEU A 24 36.181 -4.920 6.429 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.400 -6.145 5.950 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.318 -4.975 7.952 1.00 0.00 C ATOM 0 H LEU A 24 36.702 -2.703 5.129 1.00 0.00 H new ATOM 0 HA LEU A 24 38.373 -3.529 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.480 -5.015 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.144 -5.776 6.137 1.00 0.00 H new ATOM 0 HG LEU A 24 35.651 -4.011 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.410 -6.147 6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.299 -6.111 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.934 -7.051 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.327 -4.976 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.849 -5.883 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.875 -4.105 8.299 1.00 0.00 H new ATOM 391 N ILE A 25 39.814 -3.373 4.255 1.00 0.00 N ATOM 392 CA ILE A 25 41.113 -3.371 3.591 1.00 0.00 C ATOM 393 C ILE A 25 42.037 -2.353 4.256 1.00 0.00 C ATOM 394 O ILE A 25 43.205 -2.635 4.515 1.00 0.00 O ATOM 395 CB ILE A 25 40.939 -3.042 2.102 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.018 -4.083 1.461 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.294 -3.079 1.389 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.651 -3.640 0.043 1.00 0.00 C ATOM 0 H ILE A 25 39.024 -3.146 3.651 1.00 0.00 H new ATOM 0 HA ILE A 25 41.562 -4.360 3.681 1.00 0.00 H new ATOM 0 HB ILE A 25 40.509 -2.045 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.513 -5.053 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.116 -4.203 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.156 -2.844 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.963 -2.346 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.729 -4.074 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.995 -4.382 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.138 -2.679 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.558 -3.543 -0.554 1.00 0.00 H new ATOM 410 N LYS A 26 41.499 -1.175 4.549 1.00 0.00 N ATOM 411 CA LYS A 26 42.296 -0.114 5.156 1.00 0.00 C ATOM 412 C LYS A 26 42.892 -0.574 6.485 1.00 0.00 C ATOM 413 O LYS A 26 44.036 -0.252 6.805 1.00 0.00 O ATOM 414 CB LYS A 26 41.423 1.123 5.385 1.00 0.00 C ATOM 415 CG LYS A 26 42.288 2.281 5.889 1.00 0.00 C ATOM 416 CD LYS A 26 41.430 3.541 6.021 1.00 0.00 C ATOM 417 CE LYS A 26 40.421 3.355 7.155 1.00 0.00 C ATOM 418 NZ LYS A 26 39.908 4.686 7.586 1.00 0.00 N ATOM 0 H LYS A 26 40.523 -0.931 4.378 1.00 0.00 H new ATOM 0 HA LYS A 26 43.112 0.134 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.926 1.405 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.641 0.898 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.729 2.026 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.112 2.460 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 26 42.063 4.405 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 26 40.908 3.738 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 26 39.596 2.725 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 26 40.892 2.845 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 39.222 4.560 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 40.700 5.272 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 39.444 5.156 6.783 1.00 0.00 H new ATOM 432 N ILE A 27 42.111 -1.323 7.255 1.00 0.00 N ATOM 433 CA ILE A 27 42.577 -1.813 8.550 1.00 0.00 C ATOM 434 C ILE A 27 43.790 -2.721 8.367 1.00 0.00 C ATOM 435 O ILE A 27 44.805 -2.566 9.045 1.00 0.00 O ATOM 436 CB ILE A 27 41.458 -2.588 9.260 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.225 -1.695 9.412 1.00 0.00 C ATOM 438 CG2 ILE A 27 41.922 -3.024 10.654 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.052 -2.527 9.937 1.00 0.00 C ATOM 0 H ILE A 27 41.161 -1.603 7.010 1.00 0.00 H new ATOM 0 HA ILE A 27 42.861 -0.956 9.160 1.00 0.00 H new ATOM 0 HB ILE A 27 41.211 -3.466 8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.439 -0.876 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.966 -1.248 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.121 -3.573 11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.798 -3.666 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.177 -2.144 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.174 -1.890 10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 27 38.833 -3.331 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.313 -2.953 10.906 1.00 0.00 H new ATOM 451 N LEU A 28 43.671 -3.668 7.443 1.00 0.00 N ATOM 452 CA LEU A 28 44.731 -4.649 7.230 1.00 0.00 C ATOM 453 C LEU A 28 46.033 -3.964 6.829 1.00 0.00 C ATOM 454 O LEU A 28 47.109 -4.326 7.306 1.00 0.00 O ATOM 455 CB LEU A 28 44.315 -5.634 6.134 1.00 0.00 C ATOM 456 CG LEU A 28 43.012 -6.334 6.529 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.548 -7.230 5.380 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.246 -7.197 7.773 1.00 0.00 C ATOM 0 H LEU A 28 42.860 -3.778 6.834 1.00 0.00 H new ATOM 0 HA LEU A 28 44.893 -5.185 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 28 44.182 -5.106 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 28 45.102 -6.372 5.979 1.00 0.00 H new ATOM 0 HG LEU A 28 42.252 -5.583 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.620 -7.729 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 42.380 -6.623 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.313 -7.977 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 28 42.317 -7.694 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 44.008 -7.946 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.581 -6.566 8.596 1.00 0.00 H new