USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0198) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.540 1.827 -0.481 1.00 0.00 N ATOM 179 CA PRO A 12 21.189 1.904 0.864 1.00 0.00 C ATOM 180 C PRO A 12 22.256 0.829 1.047 1.00 0.00 C ATOM 181 O PRO A 12 23.438 1.135 1.186 1.00 0.00 O ATOM 182 CB PRO A 12 20.040 1.718 1.865 1.00 0.00 C ATOM 183 CG PRO A 12 18.928 1.101 1.090 1.00 0.00 C ATOM 184 CD PRO A 12 19.088 1.590 -0.346 1.00 0.00 C ATOM 0 HA PRO A 12 21.711 2.851 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.342 1.078 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.736 2.673 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.976 0.013 1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.960 1.395 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.736 0.848 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.516 2.501 -0.524 1.00 0.00 H new ATOM 192 N THR A 13 21.839 -0.431 1.017 1.00 0.00 N ATOM 193 CA THR A 13 22.770 -1.538 1.236 1.00 0.00 C ATOM 194 C THR A 13 23.922 -1.553 0.222 1.00 0.00 C ATOM 195 O THR A 13 24.966 -2.145 0.486 1.00 0.00 O ATOM 196 CB THR A 13 22.019 -2.870 1.161 1.00 0.00 C ATOM 197 OG1 THR A 13 21.471 -3.028 -0.140 1.00 0.00 O ATOM 198 CG2 THR A 13 20.895 -2.891 2.198 1.00 0.00 C ATOM 0 H THR A 13 20.874 -0.713 0.845 1.00 0.00 H new ATOM 0 HA THR A 13 23.204 -1.396 2.226 1.00 0.00 H new ATOM 0 HB THR A 13 22.710 -3.687 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.991 -3.881 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.364 -3.841 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.318 -2.772 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.201 -2.075 1.999 1.00 0.00 H new ATOM 206 N SER A 14 23.778 -0.846 -0.897 1.00 0.00 N ATOM 207 CA SER A 14 24.754 -0.941 -1.978 1.00 0.00 C ATOM 208 C SER A 14 25.956 -0.069 -1.652 1.00 0.00 C ATOM 209 O SER A 14 27.099 -0.525 -1.641 1.00 0.00 O ATOM 210 CB SER A 14 24.129 -0.490 -3.298 1.00 0.00 C ATOM 211 OG SER A 14 25.056 -0.711 -4.353 1.00 0.00 O ATOM 0 H SER A 14 23.003 -0.208 -1.077 1.00 0.00 H new ATOM 0 HA SER A 14 25.073 -1.978 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.208 -1.042 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.863 0.566 -3.246 1.00 0.00 H new ATOM 0 HG SER A 14 24.659 -0.425 -5.202 1.00 0.00 H new ATOM 217 N ILE A 15 25.671 1.186 -1.338 1.00 0.00 N ATOM 218 CA ILE A 15 26.717 2.103 -0.905 1.00 0.00 C ATOM 219 C ILE A 15 27.310 1.636 0.425 1.00 0.00 C ATOM 220 O ILE A 15 28.513 1.759 0.650 1.00 0.00 O ATOM 221 CB ILE A 15 26.163 3.528 -0.787 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.303 4.489 -0.443 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.083 3.602 0.296 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.851 5.929 -0.692 1.00 0.00 C ATOM 0 H ILE A 15 24.735 1.590 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 15 27.512 2.109 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 15 25.716 3.810 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.596 4.364 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.180 4.262 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.704 4.622 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.266 2.927 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.509 3.310 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.664 6.613 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.580 6.049 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.987 6.153 -0.066 1.00 0.00 H new ATOM 236 N LEU A 16 26.472 1.060 1.289 1.00 0.00 N ATOM 237 CA LEU A 16 26.954 0.538 2.561 1.00 0.00 C ATOM 238 C LEU A 16 27.933 -0.612 2.337 1.00 0.00 C ATOM 239 O LEU A 16 28.935 -0.726 3.042 1.00 0.00 O ATOM 240 CB LEU A 16 25.778 0.057 3.415 1.00 0.00 C ATOM 241 CG LEU A 16 24.925 1.256 3.832 1.00 0.00 C ATOM 242 CD1 LEU A 16 23.616 0.762 4.453 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.690 2.090 4.862 1.00 0.00 C ATOM 0 H LEU A 16 25.471 0.946 1.131 1.00 0.00 H new ATOM 0 HA LEU A 16 27.473 1.341 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.174 -0.654 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.146 -0.465 4.298 1.00 0.00 H new ATOM 0 HG LEU A 16 24.705 1.866 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.009 1.617 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.070 0.165 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 23.836 0.152 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.084 2.945 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 25.908 1.477 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.624 2.443 4.424 1.00 0.00 H new ATOM 255 N LEU A 17 27.662 -1.446 1.335 1.00 0.00 N ATOM 256 CA LEU A 17 28.509 -2.609 1.081 1.00 0.00 C ATOM 257 C LEU A 17 29.895 -2.175 0.622 1.00 0.00 C ATOM 258 O LEU A 17 30.909 -2.677 1.107 1.00 0.00 O ATOM 259 CB LEU A 17 27.872 -3.511 0.022 1.00 0.00 C ATOM 260 CG LEU A 17 26.788 -4.375 0.671 1.00 0.00 C ATOM 261 CD1 LEU A 17 25.798 -4.844 -0.396 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.441 -5.593 1.328 1.00 0.00 C ATOM 0 H LEU A 17 26.875 -1.341 0.695 1.00 0.00 H new ATOM 0 HA LEU A 17 28.607 -3.167 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.440 -2.905 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.632 -4.145 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 17 26.258 -3.790 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 17 25.027 -5.459 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 25.335 -3.978 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.325 -5.430 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.673 -6.212 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.968 -6.175 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.148 -5.261 2.089 1.00 0.00 H new ATOM 274 N LEU A 18 29.933 -1.218 -0.296 1.00 0.00 N ATOM 275 CA LEU A 18 31.203 -0.698 -0.786 1.00 0.00 C ATOM 276 C LEU A 18 32.004 -0.110 0.370 1.00 0.00 C ATOM 277 O LEU A 18 33.206 -0.348 0.493 1.00 0.00 O ATOM 278 CB LEU A 18 30.957 0.381 -1.844 1.00 0.00 C ATOM 279 CG LEU A 18 30.146 -0.199 -3.005 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.821 0.914 -4.003 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.960 -1.286 -3.714 1.00 0.00 C ATOM 0 H LEU A 18 29.107 -0.789 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 18 31.767 -1.515 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.423 1.221 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.909 0.766 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 18 29.223 -0.631 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.243 0.503 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.240 1.691 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.748 1.342 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.378 -1.696 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.884 -0.855 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.198 -2.081 -3.008 1.00 0.00 H new ATOM 293 N LEU A 19 31.323 0.631 1.238 1.00 0.00 N ATOM 294 CA LEU A 19 31.977 1.224 2.397 1.00 0.00 C ATOM 295 C LEU A 19 32.577 0.139 3.287 1.00 0.00 C ATOM 296 O LEU A 19 33.692 0.281 3.789 1.00 0.00 O ATOM 297 CB LEU A 19 30.966 2.046 3.198 1.00 0.00 C ATOM 298 CG LEU A 19 31.683 2.785 4.330 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.545 3.905 3.745 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.645 3.386 5.280 1.00 0.00 C ATOM 0 H LEU A 19 30.326 0.834 1.162 1.00 0.00 H new ATOM 0 HA LEU A 19 32.780 1.874 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.465 2.760 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.195 1.393 3.608 1.00 0.00 H new ATOM 0 HG LEU A 19 32.318 2.087 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.055 4.431 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.283 3.479 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.912 4.605 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.153 3.913 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.012 4.084 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.030 2.589 5.698 1.00 0.00 H new ATOM 312 N ALA A 20 31.850 -0.961 3.452 1.00 0.00 N ATOM 313 CA ALA A 20 32.298 -2.030 4.338 1.00 0.00 C ATOM 314 C ALA A 20 33.617 -2.619 3.848 1.00 0.00 C ATOM 315 O ALA A 20 34.569 -2.765 4.615 1.00 0.00 O ATOM 316 CB ALA A 20 31.239 -3.132 4.404 1.00 0.00 C ATOM 0 H ALA A 20 30.958 -1.135 2.990 1.00 0.00 H new ATOM 0 HA ALA A 20 32.449 -1.610 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.581 -3.926 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.306 -2.717 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.074 -3.539 3.406 1.00 0.00 H new ATOM 322 N CYS A 21 33.682 -2.910 2.555 1.00 0.00 N ATOM 323 CA CYS A 21 34.859 -3.559 1.991 1.00 0.00 C ATOM 324 C CYS A 21 36.089 -2.672 2.144 1.00 0.00 C ATOM 325 O CYS A 21 37.115 -3.101 2.671 1.00 0.00 O ATOM 326 CB CYS A 21 34.623 -3.869 0.509 1.00 0.00 C ATOM 327 SG CYS A 21 35.518 -5.376 0.054 1.00 0.00 S ATOM 0 H CYS A 21 32.942 -2.709 1.883 1.00 0.00 H new ATOM 0 HA CYS A 21 35.033 -4.489 2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 21 33.557 -3.995 0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.960 -3.034 -0.106 1.00 0.00 H new ATOM 0 HG CYS A 21 35.315 -5.639 -1.203 1.00 0.00 H new ATOM 333 N ILE A 22 35.967 -1.424 1.708 1.00 0.00 N ATOM 334 CA ILE A 22 37.112 -0.517 1.711 1.00 0.00 C ATOM 335 C ILE A 22 37.626 -0.266 3.128 1.00 0.00 C ATOM 336 O ILE A 22 38.834 -0.156 3.341 1.00 0.00 O ATOM 337 CB ILE A 22 36.743 0.804 1.023 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.993 1.679 0.902 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.670 1.550 1.819 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.727 2.819 -0.084 1.00 0.00 C ATOM 0 H ILE A 22 35.101 -1.020 1.352 1.00 0.00 H new ATOM 0 HA ILE A 22 37.919 -0.991 1.152 1.00 0.00 H new ATOM 0 HB ILE A 22 36.346 0.583 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.262 2.084 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.837 1.080 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.424 2.483 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.776 0.931 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 36.045 1.768 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.618 3.441 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.479 2.404 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.895 3.424 0.275 1.00 0.00 H new ATOM 352 N PHE A 23 36.720 -0.209 4.101 1.00 0.00 N ATOM 353 CA PHE A 23 37.119 0.072 5.477 1.00 0.00 C ATOM 354 C PHE A 23 37.978 -1.060 6.029 1.00 0.00 C ATOM 355 O PHE A 23 39.093 -0.834 6.501 1.00 0.00 O ATOM 356 CB PHE A 23 35.880 0.257 6.356 1.00 0.00 C ATOM 357 CG PHE A 23 36.197 0.784 7.735 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.322 2.164 7.942 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.366 -0.102 8.804 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.615 2.656 9.219 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.659 0.390 10.083 1.00 0.00 C ATOM 362 CZ PHE A 23 36.784 1.769 10.290 1.00 0.00 C ATOM 0 H PHE A 23 35.719 -0.351 3.966 1.00 0.00 H new ATOM 0 HA PHE A 23 37.705 0.991 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.192 0.943 5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.364 -0.699 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.192 2.848 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.271 -1.166 8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.711 3.720 9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.788 -0.294 10.909 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.011 2.149 11.275 1.00 0.00 H new ATOM 372 N LEU A 24 37.477 -2.287 5.922 1.00 0.00 N ATOM 373 CA LEU A 24 38.175 -3.430 6.500 1.00 0.00 C ATOM 374 C LEU A 24 39.569 -3.561 5.894 1.00 0.00 C ATOM 375 O LEU A 24 40.558 -3.711 6.612 1.00 0.00 O ATOM 376 CB LEU A 24 37.370 -4.720 6.256 1.00 0.00 C ATOM 377 CG LEU A 24 36.380 -5.010 7.399 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.142 -5.330 8.688 1.00 0.00 C ATOM 379 CD2 LEU A 24 35.446 -3.818 7.640 1.00 0.00 C ATOM 0 H LEU A 24 36.603 -2.514 5.448 1.00 0.00 H new ATOM 0 HA LEU A 24 38.274 -3.272 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.823 -4.634 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.056 -5.560 6.149 1.00 0.00 H new ATOM 0 HG LEU A 24 35.776 -5.869 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 24 36.432 -5.533 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 24 37.772 -6.205 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 37.765 -4.479 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 34.759 -4.053 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.036 -2.941 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 24 34.878 -3.611 6.733 1.00 0.00 H new ATOM 391 N ILE A 25 39.645 -3.473 4.570 1.00 0.00 N ATOM 392 CA ILE A 25 40.920 -3.656 3.885 1.00 0.00 C ATOM 393 C ILE A 25 41.915 -2.555 4.252 1.00 0.00 C ATOM 394 O ILE A 25 43.106 -2.826 4.404 1.00 0.00 O ATOM 395 CB ILE A 25 40.708 -3.719 2.367 1.00 0.00 C ATOM 396 CG1 ILE A 25 42.034 -4.053 1.681 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.177 -2.384 1.839 1.00 0.00 C ATOM 398 CD1 ILE A 25 41.768 -4.480 0.235 1.00 0.00 C ATOM 0 H ILE A 25 38.853 -3.279 3.958 1.00 0.00 H new ATOM 0 HA ILE A 25 41.346 -4.604 4.215 1.00 0.00 H new ATOM 0 HB ILE A 25 39.974 -4.494 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 25 42.694 -3.186 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 25 42.543 -4.852 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.034 -2.450 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.225 -2.156 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.894 -1.594 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 25 42.713 -4.718 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.124 -5.360 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 25 41.277 -3.667 -0.300 1.00 0.00 H new ATOM 410 N LYS A 26 41.433 -1.327 4.428 1.00 0.00 N ATOM 411 CA LYS A 26 42.318 -0.212 4.749 1.00 0.00 C ATOM 412 C LYS A 26 43.042 -0.454 6.071 1.00 0.00 C ATOM 413 O LYS A 26 44.243 -0.208 6.185 1.00 0.00 O ATOM 414 CB LYS A 26 41.510 1.085 4.837 1.00 0.00 C ATOM 415 CG LYS A 26 42.460 2.272 5.018 1.00 0.00 C ATOM 416 CD LYS A 26 41.647 3.556 5.188 1.00 0.00 C ATOM 417 CE LYS A 26 42.591 4.760 5.209 1.00 0.00 C ATOM 418 NZ LYS A 26 42.978 5.109 3.812 1.00 0.00 N ATOM 0 H LYS A 26 40.446 -1.081 4.355 1.00 0.00 H new ATOM 0 HA LYS A 26 43.062 -0.127 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.916 1.217 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.812 1.034 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.095 2.113 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.119 2.358 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.931 3.656 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.072 3.515 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.104 5.610 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.479 4.530 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 43.536 5.986 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.547 4.338 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 42.121 5.246 3.238 1.00 0.00 H new ATOM 432 N ILE A 27 42.304 -0.937 7.064 1.00 0.00 N ATOM 433 CA ILE A 27 42.890 -1.185 8.380 1.00 0.00 C ATOM 434 C ILE A 27 43.922 -2.310 8.316 1.00 0.00 C ATOM 435 O ILE A 27 45.026 -2.178 8.844 1.00 0.00 O ATOM 436 CB ILE A 27 41.791 -1.542 9.392 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.704 -0.456 9.421 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.397 -1.687 10.791 1.00 0.00 C ATOM 439 CD1 ILE A 27 41.291 0.918 9.774 1.00 0.00 C ATOM 0 H ILE A 27 41.312 -1.163 6.988 1.00 0.00 H new ATOM 0 HA ILE A 27 43.393 -0.274 8.703 1.00 0.00 H new ATOM 0 HB ILE A 27 41.340 -2.486 9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.214 -0.404 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.939 -0.724 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.612 -1.940 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.148 -2.477 10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.864 -0.747 11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.494 1.662 9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.759 0.872 10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.037 1.197 9.030 1.00 0.00 H new ATOM 451 N LEU A 28 43.559 -3.413 7.671 1.00 0.00 N ATOM 452 CA LEU A 28 44.447 -4.569 7.599 1.00 0.00 C ATOM 453 C LEU A 28 45.764 -4.205 6.918 1.00 0.00 C ATOM 454 O LEU A 28 46.834 -4.643 7.338 1.00 0.00 O ATOM 455 CB LEU A 28 43.765 -5.701 6.827 1.00 0.00 C ATOM 456 CG LEU A 28 44.630 -6.962 6.882 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.600 -7.540 8.297 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.082 -7.997 5.898 1.00 0.00 C ATOM 0 H LEU A 28 42.665 -3.532 7.194 1.00 0.00 H new ATOM 0 HA LEU A 28 44.663 -4.897 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.783 -5.904 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.607 -5.403 5.791 1.00 0.00 H new ATOM 0 HG LEU A 28 45.656 -6.711 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.216 -8.438 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.988 -6.803 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.574 -7.792 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.697 -8.896 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.056 -8.248 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.102 -7.586 4.889 1.00 0.00 H new