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 -20:sc= -1.39 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.752 2.188 -0.928 1.00 0.00 N ATOM 179 CA PRO A 12 21.221 2.190 0.493 1.00 0.00 C ATOM 180 C PRO A 12 22.227 1.074 0.769 1.00 0.00 C ATOM 181 O PRO A 12 23.406 1.334 1.001 1.00 0.00 O ATOM 182 CB PRO A 12 19.946 2.005 1.325 1.00 0.00 C ATOM 183 CG PRO A 12 18.929 1.451 0.387 1.00 0.00 C ATOM 184 CD PRO A 12 19.290 1.991 -0.995 1.00 0.00 C ATOM 0 HA PRO A 12 21.747 3.113 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.119 1.327 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.613 2.953 1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.943 0.361 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.924 1.759 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.017 1.288 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.770 2.925 -1.207 1.00 0.00 H new ATOM 192 N THR A 13 21.764 -0.169 0.719 1.00 0.00 N ATOM 193 CA THR A 13 22.632 -1.310 1.016 1.00 0.00 C ATOM 194 C THR A 13 23.846 -1.393 0.081 1.00 0.00 C ATOM 195 O THR A 13 24.834 -2.049 0.410 1.00 0.00 O ATOM 196 CB THR A 13 21.831 -2.610 0.909 1.00 0.00 C ATOM 197 OG1 THR A 13 21.358 -2.764 -0.422 1.00 0.00 O ATOM 198 CG2 THR A 13 20.645 -2.570 1.874 1.00 0.00 C ATOM 0 H THR A 13 20.804 -0.415 0.479 1.00 0.00 H new ATOM 0 HA THR A 13 23.006 -1.167 2.030 1.00 0.00 H new ATOM 0 HB THR A 13 22.473 -3.452 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.846 -3.597 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.079 -3.498 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.010 -2.455 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.000 -1.728 1.623 1.00 0.00 H new ATOM 206 N SER A 14 23.814 -0.687 -1.046 1.00 0.00 N ATOM 207 CA SER A 14 24.865 -0.817 -2.051 1.00 0.00 C ATOM 208 C SER A 14 26.069 0.012 -1.632 1.00 0.00 C ATOM 209 O SER A 14 27.203 -0.464 -1.619 1.00 0.00 O ATOM 210 CB SER A 14 24.356 -0.341 -3.411 1.00 0.00 C ATOM 211 OG SER A 14 23.266 -1.160 -3.813 1.00 0.00 O ATOM 0 H SER A 14 23.077 -0.023 -1.285 1.00 0.00 H new ATOM 0 HA SER A 14 25.154 -1.865 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.041 0.701 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 25.156 -0.390 -4.150 1.00 0.00 H new ATOM 0 HG SER A 14 22.934 -0.858 -4.684 1.00 0.00 H new ATOM 217 N ILE A 15 25.799 1.250 -1.245 1.00 0.00 N ATOM 218 CA ILE A 15 26.841 2.107 -0.695 1.00 0.00 C ATOM 219 C ILE A 15 27.302 1.578 0.665 1.00 0.00 C ATOM 220 O ILE A 15 28.473 1.719 1.017 1.00 0.00 O ATOM 221 CB ILE A 15 26.348 3.555 -0.584 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.152 3.643 0.372 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.931 4.043 -1.973 1.00 0.00 C ATOM 224 CD1 ILE A 15 24.822 5.110 0.674 1.00 0.00 C ATOM 0 H ILE A 15 24.876 1.681 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 15 27.695 2.095 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 15 27.151 4.179 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 15 24.286 3.152 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.378 3.115 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 15 25.578 5.072 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 15 26.786 3.995 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.131 3.410 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 15 23.971 5.159 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 15 25.685 5.589 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 15 24.575 5.626 -0.254 1.00 0.00 H new ATOM 236 N LEU A 16 26.400 0.938 1.411 1.00 0.00 N ATOM 237 CA LEU A 16 26.785 0.305 2.667 1.00 0.00 C ATOM 238 C LEU A 16 27.798 -0.808 2.403 1.00 0.00 C ATOM 239 O LEU A 16 28.789 -0.945 3.118 1.00 0.00 O ATOM 240 CB LEU A 16 25.550 -0.275 3.362 1.00 0.00 C ATOM 241 CG LEU A 16 25.941 -0.805 4.744 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.219 0.372 5.682 1.00 0.00 C ATOM 243 CD2 LEU A 16 24.792 -1.643 5.311 1.00 0.00 C ATOM 0 H LEU A 16 25.413 0.846 1.170 1.00 0.00 H new ATOM 0 HA LEU A 16 27.239 1.055 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.781 0.492 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.125 -1.078 2.760 1.00 0.00 H new ATOM 0 HG LEU A 16 26.836 -1.421 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.497 -0.005 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.034 0.973 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.323 0.987 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.069 -2.021 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 16 23.899 -1.024 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.589 -2.481 4.644 1.00 0.00 H new ATOM 255 N LEU A 17 27.566 -1.576 1.343 1.00 0.00 N ATOM 256 CA LEU A 17 28.427 -2.713 1.035 1.00 0.00 C ATOM 257 C LEU A 17 29.831 -2.234 0.682 1.00 0.00 C ATOM 258 O LEU A 17 30.827 -2.777 1.159 1.00 0.00 O ATOM 259 CB LEU A 17 27.842 -3.506 -0.136 1.00 0.00 C ATOM 260 CG LEU A 17 28.667 -4.775 -0.363 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.403 -5.764 0.772 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.263 -5.410 -1.696 1.00 0.00 C ATOM 0 H LEU A 17 26.797 -1.434 0.688 1.00 0.00 H new ATOM 0 HA LEU A 17 28.485 -3.356 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.804 -3.768 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.842 -2.894 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 17 29.727 -4.522 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.990 -6.668 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.687 -5.312 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.343 -6.019 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.849 -6.314 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.203 -5.664 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.449 -4.705 -2.506 1.00 0.00 H new ATOM 274 N LEU A 18 29.897 -1.196 -0.140 1.00 0.00 N ATOM 275 CA LEU A 18 31.178 -0.628 -0.536 1.00 0.00 C ATOM 276 C LEU A 18 31.922 -0.108 0.689 1.00 0.00 C ATOM 277 O LEU A 18 33.124 -0.326 0.834 1.00 0.00 O ATOM 278 CB LEU A 18 30.959 0.515 -1.531 1.00 0.00 C ATOM 279 CG LEU A 18 32.310 1.013 -2.048 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.919 -0.036 -2.981 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.107 2.321 -2.818 1.00 0.00 C ATOM 0 H LEU A 18 29.083 -0.732 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 18 31.775 -1.407 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.344 0.173 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.419 1.331 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 18 32.981 1.183 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.881 0.319 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.061 -0.969 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.249 -0.206 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.068 2.678 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.436 2.147 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.672 3.069 -2.156 1.00 0.00 H new ATOM 293 N LEU A 19 31.193 0.550 1.584 1.00 0.00 N ATOM 294 CA LEU A 19 31.795 1.075 2.803 1.00 0.00 C ATOM 295 C LEU A 19 32.425 -0.052 3.616 1.00 0.00 C ATOM 296 O LEU A 19 33.523 0.095 4.152 1.00 0.00 O ATOM 297 CB LEU A 19 30.730 1.783 3.644 1.00 0.00 C ATOM 298 CG LEU A 19 31.384 2.453 4.854 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.184 3.673 4.393 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.297 2.899 5.835 1.00 0.00 C ATOM 0 H LEU A 19 30.194 0.731 1.490 1.00 0.00 H new ATOM 0 HA LEU A 19 32.573 1.787 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.213 2.528 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.980 1.065 3.976 1.00 0.00 H new ATOM 0 HG LEU A 19 32.052 1.745 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.650 4.150 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.957 3.358 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.517 4.382 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 19 30.760 3.377 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 29.631 3.607 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 19 29.725 2.031 6.164 1.00 0.00 H new ATOM 312 N ALA A 20 31.745 -1.194 3.670 1.00 0.00 N ATOM 313 CA ALA A 20 32.214 -2.302 4.495 1.00 0.00 C ATOM 314 C ALA A 20 33.543 -2.837 3.976 1.00 0.00 C ATOM 315 O ALA A 20 34.535 -2.885 4.705 1.00 0.00 O ATOM 316 CB ALA A 20 31.176 -3.427 4.498 1.00 0.00 C ATOM 0 H ALA A 20 30.880 -1.375 3.160 1.00 0.00 H new ATOM 0 HA ALA A 20 32.357 -1.935 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.534 -4.250 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.235 -3.053 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.019 -3.780 3.479 1.00 0.00 H new ATOM 322 N CYS A 21 33.575 -3.184 2.695 1.00 0.00 N ATOM 323 CA CYS A 21 34.751 -3.832 2.128 1.00 0.00 C ATOM 324 C CYS A 21 35.961 -2.906 2.172 1.00 0.00 C ATOM 325 O CYS A 21 37.025 -3.288 2.661 1.00 0.00 O ATOM 326 CB CYS A 21 34.480 -4.269 0.685 1.00 0.00 C ATOM 327 SG CYS A 21 33.872 -2.866 -0.281 1.00 0.00 S ATOM 0 H CYS A 21 32.811 -3.030 2.037 1.00 0.00 H new ATOM 0 HA CYS A 21 34.969 -4.714 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 21 35.393 -4.661 0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.747 -5.075 0.672 1.00 0.00 H new ATOM 0 HG CYS A 21 33.403 -1.957 0.522 1.00 0.00 H new ATOM 333 N ILE A 22 35.787 -1.672 1.711 1.00 0.00 N ATOM 334 CA ILE A 22 36.914 -0.752 1.608 1.00 0.00 C ATOM 335 C ILE A 22 37.512 -0.475 2.983 1.00 0.00 C ATOM 336 O ILE A 22 38.732 -0.478 3.141 1.00 0.00 O ATOM 337 CB ILE A 22 36.487 0.555 0.929 1.00 0.00 C ATOM 338 CG1 ILE A 22 35.373 1.248 1.739 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.987 0.232 -0.483 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.971 2.282 2.702 1.00 0.00 C ATOM 0 H ILE A 22 34.891 -1.290 1.407 1.00 0.00 H new ATOM 0 HA ILE A 22 37.681 -1.221 0.992 1.00 0.00 H new ATOM 0 HB ILE A 22 37.339 1.233 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 22 34.673 1.736 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 22 34.807 0.504 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.679 1.152 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 22 36.788 -0.238 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 22 35.138 -0.448 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 22 35.170 2.761 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.653 1.785 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.516 3.036 2.134 1.00 0.00 H new ATOM 352 N PHE A 23 36.660 -0.293 3.990 1.00 0.00 N ATOM 353 CA PHE A 23 37.144 0.021 5.328 1.00 0.00 C ATOM 354 C PHE A 23 38.061 -1.087 5.829 1.00 0.00 C ATOM 355 O PHE A 23 39.178 -0.832 6.276 1.00 0.00 O ATOM 356 CB PHE A 23 35.964 0.186 6.288 1.00 0.00 C ATOM 357 CG PHE A 23 36.373 0.624 7.674 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.673 -0.335 8.650 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.457 1.986 7.983 1.00 0.00 C ATOM 360 CE1 PHE A 23 37.053 0.070 9.935 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.837 2.391 9.268 1.00 0.00 C ATOM 362 CZ PHE A 23 37.135 1.433 10.245 1.00 0.00 C ATOM 0 H PHE A 23 35.646 -0.357 3.905 1.00 0.00 H new ATOM 0 HA PHE A 23 37.705 0.955 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.269 0.917 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.427 -0.760 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.611 -1.386 8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.229 2.725 7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.283 -0.669 10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.900 3.443 9.506 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.428 1.745 11.237 1.00 0.00 H new ATOM 372 N LEU A 24 37.603 -2.326 5.697 1.00 0.00 N ATOM 373 CA LEU A 24 38.359 -3.460 6.218 1.00 0.00 C ATOM 374 C LEU A 24 39.751 -3.508 5.598 1.00 0.00 C ATOM 375 O LEU A 24 40.746 -3.700 6.297 1.00 0.00 O ATOM 376 CB LEU A 24 37.618 -4.765 5.919 1.00 0.00 C ATOM 377 CG LEU A 24 36.269 -4.769 6.641 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.446 -5.974 6.179 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.499 -4.865 8.151 1.00 0.00 C ATOM 0 H LEU A 24 36.724 -2.570 5.240 1.00 0.00 H new ATOM 0 HA LEU A 24 38.459 -3.340 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.467 -4.871 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.217 -5.617 6.242 1.00 0.00 H new ATOM 0 HG LEU A 24 35.732 -3.849 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.485 -5.977 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.282 -5.912 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.984 -6.893 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.538 -4.868 8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 24 37.036 -5.786 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.087 -4.010 8.485 1.00 0.00 H new ATOM 391 N ILE A 25 39.820 -3.290 4.291 1.00 0.00 N ATOM 392 CA ILE A 25 41.094 -3.383 3.584 1.00 0.00 C ATOM 393 C ILE A 25 42.082 -2.341 4.110 1.00 0.00 C ATOM 394 O ILE A 25 43.228 -2.664 4.418 1.00 0.00 O ATOM 395 CB ILE A 25 40.871 -3.200 2.076 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.907 -4.279 1.576 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.196 -3.337 1.317 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.476 -3.959 0.144 1.00 0.00 C ATOM 0 H ILE A 25 39.021 -3.051 3.704 1.00 0.00 H new ATOM 0 HA ILE A 25 41.519 -4.371 3.760 1.00 0.00 H new ATOM 0 HB ILE A 25 40.458 -2.207 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.389 -5.256 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.034 -4.330 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.019 -3.204 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.895 -2.577 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.617 -4.327 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.790 -4.728 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 25 38.977 -2.990 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.353 -3.930 -0.502 1.00 0.00 H new ATOM 410 N LYS A 26 41.627 -1.100 4.236 1.00 0.00 N ATOM 411 CA LYS A 26 42.518 -0.010 4.622 1.00 0.00 C ATOM 412 C LYS A 26 43.153 -0.262 5.986 1.00 0.00 C ATOM 413 O LYS A 26 44.338 0.005 6.182 1.00 0.00 O ATOM 414 CB LYS A 26 41.750 1.313 4.652 1.00 0.00 C ATOM 415 CG LYS A 26 41.273 1.661 3.240 1.00 0.00 C ATOM 416 CD LYS A 26 40.706 3.082 3.225 1.00 0.00 C ATOM 417 CE LYS A 26 39.439 3.137 4.080 1.00 0.00 C ATOM 418 NZ LYS A 26 38.617 4.313 3.677 1.00 0.00 N ATOM 0 H LYS A 26 40.658 -0.824 4.079 1.00 0.00 H new ATOM 0 HA LYS A 26 43.314 0.044 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.897 1.235 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.389 2.108 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.101 1.582 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.511 0.951 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 26 41.446 3.784 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 26 40.480 3.384 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 26 38.864 2.219 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 26 39.703 3.209 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 37.756 4.350 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 39.167 5.185 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 38.354 4.226 2.674 1.00 0.00 H new ATOM 432 N ILE A 27 42.362 -0.776 6.923 1.00 0.00 N ATOM 433 CA ILE A 27 42.867 -1.028 8.271 1.00 0.00 C ATOM 434 C ILE A 27 43.901 -2.155 8.277 1.00 0.00 C ATOM 435 O ILE A 27 44.969 -2.021 8.875 1.00 0.00 O ATOM 436 CB ILE A 27 41.705 -1.367 9.216 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.654 -0.245 9.196 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.218 -1.548 10.650 1.00 0.00 C ATOM 439 CD1 ILE A 27 41.253 1.114 9.590 1.00 0.00 C ATOM 0 H ILE A 27 41.383 -1.023 6.779 1.00 0.00 H new ATOM 0 HA ILE A 27 43.359 -0.121 8.621 1.00 0.00 H new ATOM 0 HB ILE A 27 41.250 -2.296 8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.219 -0.174 8.199 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.843 -0.496 9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.383 -1.788 11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.945 -2.359 10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.691 -0.625 10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.475 1.877 9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.664 1.052 10.598 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.046 1.379 8.890 1.00 0.00 H new ATOM 451 N LEU A 28 43.583 -3.263 7.616 1.00 0.00 N ATOM 452 CA LEU A 28 44.455 -4.434 7.644 1.00 0.00 C ATOM 453 C LEU A 28 45.819 -4.135 7.030 1.00 0.00 C ATOM 454 O LEU A 28 46.847 -4.575 7.546 1.00 0.00 O ATOM 455 CB LEU A 28 43.797 -5.589 6.885 1.00 0.00 C ATOM 456 CG LEU A 28 42.491 -5.986 7.578 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.739 -6.995 6.709 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.806 -6.626 8.932 1.00 0.00 C ATOM 0 H LEU A 28 42.736 -3.376 7.059 1.00 0.00 H new ATOM 0 HA LEU A 28 44.606 -4.711 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.598 -5.293 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.473 -6.443 6.846 1.00 0.00 H new ATOM 0 HG LEU A 28 41.876 -5.098 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.809 -7.278 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.515 -6.546 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.357 -7.881 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.876 -6.909 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.421 -7.513 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.345 -5.912 9.555 1.00 0.00 H new