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 90:sc= -0.264 USER MOD Single : A 21 CYS SG : rot 68:sc= 0.0736 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.591 2.275 -0.117 1.00 0.00 N ATOM 179 CA PRO A 12 21.393 2.413 1.139 1.00 0.00 C ATOM 180 C PRO A 12 22.357 1.248 1.339 1.00 0.00 C ATOM 181 O PRO A 12 23.572 1.425 1.327 1.00 0.00 O ATOM 182 CB PRO A 12 20.350 2.451 2.257 1.00 0.00 C ATOM 183 CG PRO A 12 19.101 2.943 1.612 1.00 0.00 C ATOM 184 CD PRO A 12 19.153 2.480 0.157 1.00 0.00 C ATOM 0 HA PRO A 12 22.021 3.304 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.205 1.463 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.663 3.113 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.221 2.543 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.036 4.029 1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.587 1.560 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.724 3.226 -0.512 1.00 0.00 H new ATOM 192 N THR A 13 21.808 0.048 1.491 1.00 0.00 N ATOM 193 CA THR A 13 22.621 -1.133 1.776 1.00 0.00 C ATOM 194 C THR A 13 23.747 -1.328 0.756 1.00 0.00 C ATOM 195 O THR A 13 24.795 -1.881 1.086 1.00 0.00 O ATOM 196 CB THR A 13 21.727 -2.377 1.791 1.00 0.00 C ATOM 197 OG1 THR A 13 20.633 -2.157 2.670 1.00 0.00 O ATOM 198 CG2 THR A 13 22.531 -3.587 2.271 1.00 0.00 C ATOM 0 H THR A 13 20.807 -0.135 1.422 1.00 0.00 H new ATOM 0 HA THR A 13 23.085 -0.982 2.751 1.00 0.00 H new ATOM 0 HB THR A 13 21.357 -2.569 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.058 -2.950 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 13 21.891 -4.469 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 23.372 -3.756 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.904 -3.400 3.278 1.00 0.00 H new ATOM 206 N SER A 14 23.562 -0.835 -0.463 1.00 0.00 N ATOM 207 CA SER A 14 24.469 -1.175 -1.556 1.00 0.00 C ATOM 208 C SER A 14 25.710 -0.300 -1.480 1.00 0.00 C ATOM 209 O SER A 14 26.842 -0.781 -1.523 1.00 0.00 O ATOM 210 CB SER A 14 23.771 -0.966 -2.900 1.00 0.00 C ATOM 211 OG SER A 14 23.558 0.424 -3.106 1.00 0.00 O ATOM 0 H SER A 14 22.802 -0.205 -0.719 1.00 0.00 H new ATOM 0 HA SER A 14 24.759 -2.222 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.379 -1.376 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.820 -1.498 -2.916 1.00 0.00 H new ATOM 0 HG SER A 14 24.332 0.808 -3.569 1.00 0.00 H new ATOM 217 N ILE A 15 25.476 0.994 -1.320 1.00 0.00 N ATOM 218 CA ILE A 15 26.570 1.931 -1.101 1.00 0.00 C ATOM 219 C ILE A 15 27.294 1.567 0.195 1.00 0.00 C ATOM 220 O ILE A 15 28.522 1.610 0.262 1.00 0.00 O ATOM 221 CB ILE A 15 26.034 3.364 -1.026 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.288 3.697 -2.322 1.00 0.00 C ATOM 223 CG2 ILE A 15 27.197 4.346 -0.853 1.00 0.00 C ATOM 224 CD1 ILE A 15 24.612 5.063 -2.191 1.00 0.00 C ATOM 0 H ILE A 15 24.548 1.417 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 15 27.270 1.870 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 15 25.357 3.448 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 15 25.983 3.703 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 15 24.542 2.930 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.809 5.363 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.735 4.115 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 27.875 4.260 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 15 24.082 5.297 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 15 23.904 5.041 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.367 5.826 -2.003 1.00 0.00 H new ATOM 236 N LEU A 16 26.531 1.169 1.212 1.00 0.00 N ATOM 237 CA LEU A 16 27.126 0.783 2.487 1.00 0.00 C ATOM 238 C LEU A 16 28.014 -0.450 2.312 1.00 0.00 C ATOM 239 O LEU A 16 29.080 -0.544 2.916 1.00 0.00 O ATOM 240 CB LEU A 16 26.016 0.511 3.519 1.00 0.00 C ATOM 241 CG LEU A 16 25.731 1.744 4.398 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.943 2.046 5.281 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.402 2.975 3.543 1.00 0.00 C ATOM 0 H LEU A 16 25.513 1.106 1.178 1.00 0.00 H new ATOM 0 HA LEU A 16 27.750 1.600 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.103 0.216 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.307 -0.327 4.153 1.00 0.00 H new ATOM 0 HG LEU A 16 24.866 1.518 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.734 2.919 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.149 1.188 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 16 27.810 2.246 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.206 3.828 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.246 3.202 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.520 2.771 2.936 1.00 0.00 H new ATOM 255 N LEU A 17 27.588 -1.382 1.461 1.00 0.00 N ATOM 256 CA LEU A 17 28.335 -2.622 1.269 1.00 0.00 C ATOM 257 C LEU A 17 29.712 -2.324 0.683 1.00 0.00 C ATOM 258 O LEU A 17 30.731 -2.831 1.156 1.00 0.00 O ATOM 259 CB LEU A 17 27.563 -3.555 0.333 1.00 0.00 C ATOM 260 CG LEU A 17 28.183 -4.957 0.366 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.119 -5.999 0.010 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.328 -5.041 -0.648 1.00 0.00 C ATOM 0 H LEU A 17 26.740 -1.304 0.900 1.00 0.00 H new ATOM 0 HA LEU A 17 28.462 -3.109 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.517 -3.603 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.583 -3.163 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 17 28.567 -5.153 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.562 -6.995 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.303 -5.947 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.733 -5.798 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.765 -6.039 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.944 -4.840 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.091 -4.304 -0.398 1.00 0.00 H new ATOM 274 N LEU A 18 29.739 -1.468 -0.332 1.00 0.00 N ATOM 275 CA LEU A 18 31.001 -1.069 -0.944 1.00 0.00 C ATOM 276 C LEU A 18 31.896 -0.410 0.101 1.00 0.00 C ATOM 277 O LEU A 18 33.086 -0.711 0.198 1.00 0.00 O ATOM 278 CB LEU A 18 30.739 -0.092 -2.093 1.00 0.00 C ATOM 279 CG LEU A 18 32.053 0.219 -2.815 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.492 -1.002 -3.623 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.844 1.405 -3.759 1.00 0.00 C ATOM 0 H LEU A 18 28.910 -1.040 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 18 31.501 -1.954 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.021 -0.522 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.298 0.827 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 18 32.822 0.465 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.427 -0.781 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.638 -1.849 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.724 -1.248 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.778 1.629 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.076 1.156 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.529 2.276 -3.185 1.00 0.00 H new ATOM 293 N LEU A 19 31.301 0.456 0.915 1.00 0.00 N ATOM 294 CA LEU A 19 32.051 1.126 1.973 1.00 0.00 C ATOM 295 C LEU A 19 32.683 0.099 2.910 1.00 0.00 C ATOM 296 O LEU A 19 33.828 0.256 3.335 1.00 0.00 O ATOM 297 CB LEU A 19 31.119 2.046 2.765 1.00 0.00 C ATOM 298 CG LEU A 19 31.929 2.845 3.788 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.809 3.863 3.063 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.973 3.580 4.731 1.00 0.00 C ATOM 0 H LEU A 19 30.314 0.709 0.865 1.00 0.00 H new ATOM 0 HA LEU A 19 32.844 1.719 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.600 2.724 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.355 1.456 3.272 1.00 0.00 H new ATOM 0 HG LEU A 19 32.559 2.165 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.385 4.431 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.490 3.342 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.181 4.543 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.548 4.150 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.344 4.259 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.345 2.856 5.250 1.00 0.00 H new ATOM 312 N ALA A 20 31.948 -0.970 3.202 1.00 0.00 N ATOM 313 CA ALA A 20 32.439 -1.986 4.124 1.00 0.00 C ATOM 314 C ALA A 20 33.724 -2.610 3.594 1.00 0.00 C ATOM 315 O ALA A 20 34.711 -2.739 4.318 1.00 0.00 O ATOM 316 CB ALA A 20 31.381 -3.076 4.313 1.00 0.00 C ATOM 0 H ALA A 20 31.021 -1.153 2.818 1.00 0.00 H new ATOM 0 HA ALA A 20 32.646 -1.511 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.756 -3.831 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.471 -2.633 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.161 -3.540 3.352 1.00 0.00 H new ATOM 322 N CYS A 21 33.725 -2.951 2.309 1.00 0.00 N ATOM 323 CA CYS A 21 34.885 -3.600 1.709 1.00 0.00 C ATOM 324 C CYS A 21 36.120 -2.719 1.860 1.00 0.00 C ATOM 325 O CYS A 21 37.177 -3.174 2.299 1.00 0.00 O ATOM 326 CB CYS A 21 34.626 -3.870 0.226 1.00 0.00 C ATOM 327 SG CYS A 21 33.239 -5.019 0.054 1.00 0.00 S ATOM 0 H CYS A 21 32.946 -2.791 1.670 1.00 0.00 H new ATOM 0 HA CYS A 21 35.058 -4.546 2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.405 -2.936 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.518 -4.288 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 21 32.142 -4.436 0.437 1.00 0.00 H new ATOM 333 N ILE A 22 35.961 -1.442 1.539 1.00 0.00 N ATOM 334 CA ILE A 22 37.076 -0.505 1.627 1.00 0.00 C ATOM 335 C ILE A 22 37.620 -0.461 3.053 1.00 0.00 C ATOM 336 O ILE A 22 38.833 -0.444 3.264 1.00 0.00 O ATOM 337 CB ILE A 22 36.626 0.898 1.193 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.020 0.858 -0.219 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.818 1.860 1.206 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.020 0.309 -1.247 1.00 0.00 C ATOM 0 H ILE A 22 35.083 -1.034 1.219 1.00 0.00 H new ATOM 0 HA ILE A 22 37.868 -0.844 0.959 1.00 0.00 H new ATOM 0 HB ILE A 22 35.869 1.246 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 22 35.124 0.237 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.710 1.861 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.488 2.852 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.232 1.913 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.583 1.501 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.557 0.295 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.905 0.946 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 22 37.309 -0.704 -0.968 1.00 0.00 H new ATOM 352 N PHE A 23 36.722 -0.468 4.030 1.00 0.00 N ATOM 353 CA PHE A 23 37.127 -0.372 5.427 1.00 0.00 C ATOM 354 C PHE A 23 38.054 -1.523 5.799 1.00 0.00 C ATOM 355 O PHE A 23 39.100 -1.317 6.413 1.00 0.00 O ATOM 356 CB PHE A 23 35.894 -0.393 6.332 1.00 0.00 C ATOM 357 CG PHE A 23 36.214 -0.158 7.789 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.503 -1.242 8.627 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.221 1.145 8.303 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.799 -1.023 9.977 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.517 1.363 9.653 1.00 0.00 C ATOM 362 CZ PHE A 23 36.806 0.279 10.491 1.00 0.00 C ATOM 0 H PHE A 23 35.715 -0.539 3.883 1.00 0.00 H new ATOM 0 HA PHE A 23 37.662 0.567 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.192 0.370 5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.393 -1.356 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.497 -2.247 8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.998 1.981 7.657 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.022 -1.859 10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.523 2.368 10.049 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.034 0.447 11.533 1.00 0.00 H new ATOM 372 N LEU A 24 37.677 -2.732 5.399 1.00 0.00 N ATOM 373 CA LEU A 24 38.461 -3.913 5.751 1.00 0.00 C ATOM 374 C LEU A 24 39.879 -3.804 5.203 1.00 0.00 C ATOM 375 O LEU A 24 40.849 -4.076 5.911 1.00 0.00 O ATOM 376 CB LEU A 24 37.795 -5.181 5.204 1.00 0.00 C ATOM 377 CG LEU A 24 36.732 -5.682 6.186 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.463 -4.840 6.050 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.406 -7.145 5.878 1.00 0.00 C ATOM 0 H LEU A 24 36.846 -2.921 4.839 1.00 0.00 H new ATOM 0 HA LEU A 24 38.507 -3.973 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.338 -4.973 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.546 -5.955 5.042 1.00 0.00 H new ATOM 0 HG LEU A 24 37.113 -5.597 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.710 -5.201 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.693 -3.797 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.080 -4.921 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.649 -7.504 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.028 -7.227 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.308 -7.748 5.979 1.00 0.00 H new ATOM 391 N ILE A 25 39.998 -3.379 3.951 1.00 0.00 N ATOM 392 CA ILE A 25 41.312 -3.273 3.323 1.00 0.00 C ATOM 393 C ILE A 25 42.185 -2.270 4.073 1.00 0.00 C ATOM 394 O ILE A 25 43.336 -2.556 4.403 1.00 0.00 O ATOM 395 CB ILE A 25 41.163 -2.850 1.855 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.246 -3.830 1.106 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.535 -2.819 1.172 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.768 -5.275 1.174 1.00 0.00 C ATOM 0 H ILE A 25 39.215 -3.106 3.357 1.00 0.00 H new ATOM 0 HA ILE A 25 41.795 -4.249 3.363 1.00 0.00 H new ATOM 0 HB ILE A 25 40.722 -1.854 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.244 -3.786 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.163 -3.523 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.417 -2.518 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.181 -2.106 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.985 -3.811 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 25 40.089 -5.933 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.759 -5.325 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.826 -5.592 2.215 1.00 0.00 H new ATOM 410 N LYS A 26 41.622 -1.107 4.373 1.00 0.00 N ATOM 411 CA LYS A 26 42.394 -0.028 4.975 1.00 0.00 C ATOM 412 C LYS A 26 42.952 -0.429 6.338 1.00 0.00 C ATOM 413 O LYS A 26 44.119 -0.171 6.636 1.00 0.00 O ATOM 414 CB LYS A 26 41.514 1.214 5.133 1.00 0.00 C ATOM 415 CG LYS A 26 42.390 2.427 5.451 1.00 0.00 C ATOM 416 CD LYS A 26 41.522 3.550 6.023 1.00 0.00 C ATOM 417 CE LYS A 26 40.639 4.126 4.915 1.00 0.00 C ATOM 418 NZ LYS A 26 39.674 5.097 5.503 1.00 0.00 N ATOM 0 H LYS A 26 40.639 -0.887 4.211 1.00 0.00 H new ATOM 0 HA LYS A 26 43.233 0.189 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.949 1.391 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.788 1.058 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.164 2.152 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 42.897 2.769 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.903 3.168 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 26 42.153 4.333 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 26 41.255 4.619 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 26 40.102 3.324 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 39.073 5.489 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 39.078 4.613 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 40.196 5.868 5.966 1.00 0.00 H new ATOM 432 N ILE A 27 42.119 -1.060 7.158 1.00 0.00 N ATOM 433 CA ILE A 27 42.531 -1.412 8.514 1.00 0.00 C ATOM 434 C ILE A 27 43.584 -2.521 8.523 1.00 0.00 C ATOM 435 O ILE A 27 44.492 -2.502 9.356 1.00 0.00 O ATOM 436 CB ILE A 27 41.313 -1.807 9.360 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.746 -2.014 10.813 1.00 0.00 C ATOM 438 CG2 ILE A 27 40.675 -3.091 8.829 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.513 -2.012 11.719 1.00 0.00 C ATOM 0 H ILE A 27 41.168 -1.336 6.914 1.00 0.00 H new ATOM 0 HA ILE A 27 42.992 -0.529 8.956 1.00 0.00 H new ATOM 0 HB ILE A 27 40.577 -1.005 9.303 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.282 -2.958 10.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 42.433 -1.224 11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 27 39.814 -3.351 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 27 40.352 -2.938 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.404 -3.901 8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.822 -2.159 12.754 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.996 -1.057 11.627 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.842 -2.818 11.422 1.00 0.00 H new ATOM 451 N LEU A 28 43.472 -3.480 7.605 1.00 0.00 N ATOM 452 CA LEU A 28 44.459 -4.553 7.521 1.00 0.00 C ATOM 453 C LEU A 28 45.833 -3.994 7.162 1.00 0.00 C ATOM 454 O LEU A 28 46.848 -4.410 7.721 1.00 0.00 O ATOM 455 CB LEU A 28 44.032 -5.584 6.473 1.00 0.00 C ATOM 456 CG LEU A 28 42.757 -6.293 6.934 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.204 -7.144 5.789 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.079 -7.198 8.125 1.00 0.00 C ATOM 0 H LEU A 28 42.719 -3.536 6.919 1.00 0.00 H new ATOM 0 HA LEU A 28 44.521 -5.036 8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.860 -5.093 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.829 -6.312 6.320 1.00 0.00 H new ATOM 0 HG LEU A 28 42.016 -5.550 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.296 -7.649 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.975 -6.504 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.946 -7.886 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 28 42.171 -7.703 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.820 -7.940 7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.476 -6.596 8.943 1.00 0.00 H new