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 70:sc= 0.0202 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.690 2.200 -0.652 1.00 0.00 N ATOM 179 CA PRO A 12 21.265 2.298 0.725 1.00 0.00 C ATOM 180 C PRO A 12 22.268 1.179 1.006 1.00 0.00 C ATOM 181 O PRO A 12 23.470 1.416 1.095 1.00 0.00 O ATOM 182 CB PRO A 12 20.053 2.216 1.666 1.00 0.00 C ATOM 183 CG PRO A 12 18.898 1.791 0.821 1.00 0.00 C ATOM 184 CD PRO A 12 19.216 2.245 -0.599 1.00 0.00 C ATOM 0 HA PRO A 12 21.827 3.222 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.231 1.501 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.858 3.180 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.763 0.710 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.971 2.242 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.767 1.585 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.838 3.248 -0.794 1.00 0.00 H new ATOM 192 N THR A 13 21.770 -0.047 1.118 1.00 0.00 N ATOM 193 CA THR A 13 22.630 -1.184 1.447 1.00 0.00 C ATOM 194 C THR A 13 23.779 -1.374 0.450 1.00 0.00 C ATOM 195 O THR A 13 24.784 -2.004 0.780 1.00 0.00 O ATOM 196 CB THR A 13 21.790 -2.463 1.494 1.00 0.00 C ATOM 197 OG1 THR A 13 22.630 -3.567 1.799 1.00 0.00 O ATOM 198 CG2 THR A 13 21.123 -2.689 0.136 1.00 0.00 C ATOM 0 H THR A 13 20.786 -0.281 0.988 1.00 0.00 H new ATOM 0 HA THR A 13 23.076 -0.974 2.419 1.00 0.00 H new ATOM 0 HB THR A 13 21.022 -2.365 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.094 -4.387 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.525 -3.600 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.479 -1.841 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.889 -2.787 -0.634 1.00 0.00 H new ATOM 206 N SER A 14 23.679 -0.782 -0.738 1.00 0.00 N ATOM 207 CA SER A 14 24.638 -1.060 -1.802 1.00 0.00 C ATOM 208 C SER A 14 25.894 -0.232 -1.584 1.00 0.00 C ATOM 209 O SER A 14 27.009 -0.753 -1.543 1.00 0.00 O ATOM 210 CB SER A 14 24.029 -0.724 -3.164 1.00 0.00 C ATOM 211 OG SER A 14 22.802 -1.426 -3.312 1.00 0.00 O ATOM 0 H SER A 14 22.950 -0.113 -0.986 1.00 0.00 H new ATOM 0 HA SER A 14 24.892 -2.120 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.860 0.350 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.718 -1.000 -3.962 1.00 0.00 H new ATOM 0 HG SER A 14 22.406 -1.213 -4.183 1.00 0.00 H new ATOM 217 N ILE A 15 25.692 1.064 -1.400 1.00 0.00 N ATOM 218 CA ILE A 15 26.796 1.955 -1.073 1.00 0.00 C ATOM 219 C ILE A 15 27.376 1.598 0.297 1.00 0.00 C ATOM 220 O ILE A 15 28.585 1.691 0.504 1.00 0.00 O ATOM 221 CB ILE A 15 26.329 3.417 -1.105 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.526 4.339 -0.864 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.265 3.667 -0.032 1.00 0.00 C ATOM 224 CD1 ILE A 15 27.155 5.771 -1.254 1.00 0.00 C ATOM 0 H ILE A 15 24.782 1.520 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 15 27.581 1.832 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 15 25.893 3.624 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.822 4.302 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.382 4.002 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.947 4.709 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.407 3.019 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.683 3.452 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 28.008 6.427 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.880 5.801 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.312 6.106 -0.650 1.00 0.00 H new ATOM 236 N LEU A 16 26.520 1.152 1.219 1.00 0.00 N ATOM 237 CA LEU A 16 26.994 0.720 2.529 1.00 0.00 C ATOM 238 C LEU A 16 27.905 -0.500 2.383 1.00 0.00 C ATOM 239 O LEU A 16 28.934 -0.600 3.049 1.00 0.00 O ATOM 240 CB LEU A 16 25.793 0.395 3.437 1.00 0.00 C ATOM 241 CG LEU A 16 25.417 1.583 4.341 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.540 1.852 5.347 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.158 2.851 3.517 1.00 0.00 C ATOM 0 H LEU A 16 25.511 1.082 1.084 1.00 0.00 H new ATOM 0 HA LEU A 16 27.569 1.525 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.936 0.122 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.030 -0.471 4.055 1.00 0.00 H new ATOM 0 HG LEU A 16 24.501 1.322 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.265 2.694 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 16 26.695 0.967 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 27.460 2.087 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 16 24.895 3.671 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.057 3.112 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.338 2.672 2.822 1.00 0.00 H new ATOM 255 N LEU A 17 27.545 -1.411 1.482 1.00 0.00 N ATOM 256 CA LEU A 17 28.314 -2.639 1.306 1.00 0.00 C ATOM 257 C LEU A 17 29.716 -2.313 0.802 1.00 0.00 C ATOM 258 O LEU A 17 30.714 -2.827 1.310 1.00 0.00 O ATOM 259 CB LEU A 17 27.606 -3.562 0.310 1.00 0.00 C ATOM 260 CG LEU A 17 28.245 -4.955 0.345 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.216 -6.004 -0.086 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.440 -5.003 -0.609 1.00 0.00 C ATOM 0 H LEU A 17 26.735 -1.324 0.869 1.00 0.00 H new ATOM 0 HA LEU A 17 28.392 -3.145 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.546 -3.632 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.673 -3.147 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 17 28.582 -5.165 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.673 -6.993 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.365 -5.979 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.877 -5.787 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.890 -5.996 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.105 -4.787 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.178 -4.261 -0.305 1.00 0.00 H new ATOM 274 N LEU A 18 29.782 -1.428 -0.183 1.00 0.00 N ATOM 275 CA LEU A 18 31.064 -1.008 -0.732 1.00 0.00 C ATOM 276 C LEU A 18 31.911 -0.365 0.361 1.00 0.00 C ATOM 277 O LEU A 18 33.103 -0.644 0.481 1.00 0.00 O ATOM 278 CB LEU A 18 30.848 -0.012 -1.872 1.00 0.00 C ATOM 279 CG LEU A 18 32.190 0.320 -2.528 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.683 -0.891 -3.321 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.011 1.509 -3.476 1.00 0.00 C ATOM 0 H LEU A 18 28.969 -0.990 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 18 31.584 -1.884 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.165 -0.432 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.384 0.897 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 18 32.919 0.572 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.639 -0.655 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.808 -1.740 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.954 -1.142 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.966 1.748 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.283 1.254 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.657 2.373 -2.913 1.00 0.00 H new ATOM 293 N LEU A 19 31.279 0.468 1.182 1.00 0.00 N ATOM 294 CA LEU A 19 31.983 1.117 2.281 1.00 0.00 C ATOM 295 C LEU A 19 32.603 0.072 3.206 1.00 0.00 C ATOM 296 O LEU A 19 33.737 0.225 3.657 1.00 0.00 O ATOM 297 CB LEU A 19 31.013 1.996 3.074 1.00 0.00 C ATOM 298 CG LEU A 19 31.781 2.782 4.138 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.633 3.858 3.463 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.786 3.446 5.094 1.00 0.00 C ATOM 0 H LEU A 19 30.290 0.708 1.108 1.00 0.00 H new ATOM 0 HA LEU A 19 32.778 1.738 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.497 2.683 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.249 1.378 3.546 1.00 0.00 H new ATOM 0 HG LEU A 19 32.428 2.104 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.180 4.418 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.340 3.387 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.987 4.537 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.330 4.007 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.141 4.124 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.177 2.680 5.575 1.00 0.00 H new ATOM 312 N ALA A 20 31.870 -1.008 3.455 1.00 0.00 N ATOM 313 CA ALA A 20 32.343 -2.041 4.368 1.00 0.00 C ATOM 314 C ALA A 20 33.634 -2.666 3.850 1.00 0.00 C ATOM 315 O ALA A 20 34.610 -2.812 4.589 1.00 0.00 O ATOM 316 CB ALA A 20 31.276 -3.127 4.526 1.00 0.00 C ATOM 0 H ALA A 20 30.955 -1.190 3.042 1.00 0.00 H new ATOM 0 HA ALA A 20 32.539 -1.580 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.637 -3.895 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.363 -2.685 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.066 -3.575 3.555 1.00 0.00 H new ATOM 322 N CYS A 21 33.649 -3.000 2.565 1.00 0.00 N ATOM 323 CA CYS A 21 34.813 -3.648 1.972 1.00 0.00 C ATOM 324 C CYS A 21 36.040 -2.749 2.083 1.00 0.00 C ATOM 325 O CYS A 21 37.103 -3.179 2.529 1.00 0.00 O ATOM 326 CB CYS A 21 34.541 -3.964 0.500 1.00 0.00 C ATOM 327 SG CYS A 21 33.199 -5.174 0.381 1.00 0.00 S ATOM 0 H CYS A 21 32.877 -2.835 1.919 1.00 0.00 H new ATOM 0 HA CYS A 21 35.005 -4.575 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.272 -3.053 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.442 -4.357 0.029 1.00 0.00 H new ATOM 0 HG CYS A 21 32.077 -4.613 0.722 1.00 0.00 H new ATOM 333 N ILE A 22 35.873 -1.486 1.712 1.00 0.00 N ATOM 334 CA ILE A 22 36.992 -0.550 1.716 1.00 0.00 C ATOM 335 C ILE A 22 37.584 -0.443 3.120 1.00 0.00 C ATOM 336 O ILE A 22 38.801 -0.458 3.291 1.00 0.00 O ATOM 337 CB ILE A 22 36.524 0.827 1.225 1.00 0.00 C ATOM 338 CG1 ILE A 22 35.956 0.690 -0.190 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.701 1.808 1.189 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.280 1.999 -0.600 1.00 0.00 C ATOM 0 H ILE A 22 34.984 -1.088 1.408 1.00 0.00 H new ATOM 0 HA ILE A 22 37.765 -0.918 1.042 1.00 0.00 H new ATOM 0 HB ILE A 22 35.762 1.203 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.754 0.446 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.238 -0.129 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.354 2.780 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.119 1.911 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.468 1.431 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.876 1.900 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.471 2.224 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.011 2.808 -0.580 1.00 0.00 H new ATOM 352 N PHE A 23 36.718 -0.363 4.123 1.00 0.00 N ATOM 353 CA PHE A 23 37.175 -0.199 5.499 1.00 0.00 C ATOM 354 C PHE A 23 38.073 -1.361 5.905 1.00 0.00 C ATOM 355 O PHE A 23 39.150 -1.163 6.467 1.00 0.00 O ATOM 356 CB PHE A 23 35.974 -0.123 6.442 1.00 0.00 C ATOM 357 CG PHE A 23 36.353 0.182 7.872 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.525 1.510 8.282 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.531 -0.862 8.788 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.876 1.794 9.608 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.881 -0.578 10.113 1.00 0.00 C ATOM 362 CZ PHE A 23 37.054 0.750 10.522 1.00 0.00 C ATOM 0 H PHE A 23 35.705 -0.408 4.012 1.00 0.00 H new ATOM 0 HA PHE A 23 37.746 0.727 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.288 0.645 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.436 -1.071 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.387 2.315 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.398 -1.886 8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.009 2.818 9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 23 37.018 -1.383 10.820 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.325 0.969 11.544 1.00 0.00 H new ATOM 372 N LEU A 24 37.635 -2.575 5.594 1.00 0.00 N ATOM 373 CA LEU A 24 38.380 -3.766 5.986 1.00 0.00 C ATOM 374 C LEU A 24 39.782 -3.734 5.382 1.00 0.00 C ATOM 375 O LEU A 24 40.767 -4.035 6.055 1.00 0.00 O ATOM 376 CB LEU A 24 37.636 -5.022 5.507 1.00 0.00 C ATOM 377 CG LEU A 24 37.892 -6.235 6.421 1.00 0.00 C ATOM 378 CD1 LEU A 24 39.391 -6.510 6.577 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.272 -5.988 7.799 1.00 0.00 C ATOM 0 H LEU A 24 36.776 -2.761 5.076 1.00 0.00 H new ATOM 0 HA LEU A 24 38.466 -3.788 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.566 -4.816 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.949 -5.262 4.491 1.00 0.00 H new ATOM 0 HG LEU A 24 37.430 -7.107 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 24 39.537 -7.372 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 39.827 -6.716 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 24 39.877 -5.638 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.457 -6.850 8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 37.720 -5.100 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.198 -5.838 7.693 1.00 0.00 H new ATOM 391 N ILE A 25 39.868 -3.348 4.115 1.00 0.00 N ATOM 392 CA ILE A 25 41.156 -3.307 3.430 1.00 0.00 C ATOM 393 C ILE A 25 42.089 -2.301 4.105 1.00 0.00 C ATOM 394 O ILE A 25 43.245 -2.609 4.389 1.00 0.00 O ATOM 395 CB ILE A 25 40.954 -2.939 1.953 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.028 -3.965 1.297 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.298 -2.946 1.215 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.666 -3.499 -0.115 1.00 0.00 C ATOM 0 H ILE A 25 39.072 -3.062 3.545 1.00 0.00 H new ATOM 0 HA ILE A 25 41.615 -4.294 3.488 1.00 0.00 H new ATOM 0 HB ILE A 25 40.515 -1.943 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.518 -4.938 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.124 -4.088 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.140 -2.683 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.969 -2.220 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.742 -3.940 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.006 -4.231 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.159 -2.535 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.574 -3.399 -0.709 1.00 0.00 H new ATOM 410 N LYS A 26 41.574 -1.110 4.384 1.00 0.00 N ATOM 411 CA LYS A 26 42.408 -0.033 4.907 1.00 0.00 C ATOM 412 C LYS A 26 43.031 -0.409 6.247 1.00 0.00 C ATOM 413 O LYS A 26 44.215 -0.161 6.478 1.00 0.00 O ATOM 414 CB LYS A 26 41.574 1.238 5.070 1.00 0.00 C ATOM 415 CG LYS A 26 41.132 1.740 3.694 1.00 0.00 C ATOM 416 CD LYS A 26 40.181 2.926 3.863 1.00 0.00 C ATOM 417 CE LYS A 26 40.952 4.127 4.412 1.00 0.00 C ATOM 418 NZ LYS A 26 40.161 5.371 4.186 1.00 0.00 N ATOM 0 H LYS A 26 40.592 -0.866 4.259 1.00 0.00 H new ATOM 0 HA LYS A 26 43.214 0.141 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.702 1.036 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.157 2.006 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.001 2.038 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.637 0.939 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 26 39.726 3.180 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 26 39.370 2.661 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 26 41.144 3.994 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.922 4.206 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 40.685 6.188 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 40.000 5.499 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 39.246 5.294 4.674 1.00 0.00 H new ATOM 432 N ILE A 27 42.233 -1.008 7.127 1.00 0.00 N ATOM 433 CA ILE A 27 42.724 -1.362 8.457 1.00 0.00 C ATOM 434 C ILE A 27 43.734 -2.506 8.399 1.00 0.00 C ATOM 435 O ILE A 27 44.690 -2.530 9.174 1.00 0.00 O ATOM 436 CB ILE A 27 41.556 -1.704 9.390 1.00 0.00 C ATOM 437 CG1 ILE A 27 42.083 -1.898 10.815 1.00 0.00 C ATOM 438 CG2 ILE A 27 40.843 -2.977 8.930 1.00 0.00 C ATOM 439 CD1 ILE A 27 42.523 -0.549 11.386 1.00 0.00 C ATOM 0 H ILE A 27 41.260 -1.255 6.949 1.00 0.00 H new ATOM 0 HA ILE A 27 43.243 -0.493 8.861 1.00 0.00 H new ATOM 0 HB ILE A 27 40.841 -0.882 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 27 41.308 -2.335 11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 27 42.922 -2.594 10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 27 40.019 -3.198 9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 27 40.455 -2.832 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.547 -3.809 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 27 42.898 -0.688 12.400 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.312 -0.130 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 27 41.673 0.133 11.404 1.00 0.00 H new ATOM 451 N LEU A 28 43.527 -3.453 7.486 1.00 0.00 N ATOM 452 CA LEU A 28 44.473 -4.552 7.317 1.00 0.00 C ATOM 453 C LEU A 28 45.839 -4.026 6.882 1.00 0.00 C ATOM 454 O LEU A 28 46.876 -4.499 7.350 1.00 0.00 O ATOM 455 CB LEU A 28 43.944 -5.536 6.270 1.00 0.00 C ATOM 456 CG LEU A 28 44.861 -6.759 6.203 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.700 -7.589 7.478 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.484 -7.612 4.990 1.00 0.00 C ATOM 0 H LEU A 28 42.723 -3.482 6.859 1.00 0.00 H new ATOM 0 HA LEU A 28 44.584 -5.062 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.930 -5.843 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.895 -5.052 5.294 1.00 0.00 H new ATOM 0 HG LEU A 28 45.897 -6.432 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.353 -8.460 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.967 -6.982 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.665 -7.917 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 28 45.137 -8.484 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.448 -7.939 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.598 -7.022 4.081 1.00 0.00 H new