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 65:sc= 0.0483 USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= -0.226 (180deg=-0.983) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.452 1.659 -0.482 1.00 0.00 N ATOM 179 CA PRO A 12 21.176 2.013 0.779 1.00 0.00 C ATOM 180 C PRO A 12 22.249 0.984 1.119 1.00 0.00 C ATOM 181 O PRO A 12 23.436 1.299 1.163 1.00 0.00 O ATOM 182 CB PRO A 12 20.091 2.048 1.863 1.00 0.00 C ATOM 183 CG PRO A 12 18.798 2.172 1.135 1.00 0.00 C ATOM 184 CD PRO A 12 19.004 1.514 -0.227 1.00 0.00 C ATOM 0 HA PRO A 12 21.698 2.965 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.114 1.142 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.241 2.889 2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.994 1.682 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.515 3.219 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.705 0.466 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.412 2.004 -1.000 1.00 0.00 H new ATOM 192 N THR A 13 21.824 -0.254 1.337 1.00 0.00 N ATOM 193 CA THR A 13 22.758 -1.320 1.694 1.00 0.00 C ATOM 194 C THR A 13 23.845 -1.536 0.633 1.00 0.00 C ATOM 195 O THR A 13 24.892 -2.103 0.934 1.00 0.00 O ATOM 196 CB THR A 13 21.989 -2.627 1.901 1.00 0.00 C ATOM 197 OG1 THR A 13 22.902 -3.664 2.235 1.00 0.00 O ATOM 198 CG2 THR A 13 21.244 -2.995 0.617 1.00 0.00 C ATOM 0 H THR A 13 20.849 -0.545 1.274 1.00 0.00 H new ATOM 0 HA THR A 13 23.256 -1.015 2.614 1.00 0.00 H new ATOM 0 HB THR A 13 21.270 -2.500 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.411 -4.501 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.697 -3.926 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.543 -2.200 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.960 -3.122 -0.195 1.00 0.00 H new ATOM 206 N SER A 14 23.645 -1.028 -0.583 1.00 0.00 N ATOM 207 CA SER A 14 24.553 -1.328 -1.685 1.00 0.00 C ATOM 208 C SER A 14 25.781 -0.437 -1.589 1.00 0.00 C ATOM 209 O SER A 14 26.917 -0.909 -1.546 1.00 0.00 O ATOM 210 CB SER A 14 23.852 -1.099 -3.024 1.00 0.00 C ATOM 211 OG SER A 14 24.784 -1.296 -4.079 1.00 0.00 O ATOM 0 H SER A 14 22.869 -0.412 -0.827 1.00 0.00 H new ATOM 0 HA SER A 14 24.856 -2.373 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.013 -1.786 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.444 -0.089 -3.067 1.00 0.00 H new ATOM 0 HG SER A 14 24.339 -1.152 -4.940 1.00 0.00 H new ATOM 217 N ILE A 15 25.532 0.863 -1.513 1.00 0.00 N ATOM 218 CA ILE A 15 26.612 1.818 -1.302 1.00 0.00 C ATOM 219 C ILE A 15 27.273 1.570 0.055 1.00 0.00 C ATOM 220 O ILE A 15 28.491 1.682 0.191 1.00 0.00 O ATOM 221 CB ILE A 15 26.080 3.253 -1.397 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.245 4.237 -1.276 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.060 3.524 -0.288 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.799 5.620 -1.754 1.00 0.00 C ATOM 0 H ILE A 15 24.603 1.277 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 15 27.363 1.683 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 15 25.587 3.382 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.584 4.290 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.090 3.891 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.694 4.547 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.224 2.831 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.534 3.387 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.630 6.320 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.482 5.560 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.967 5.966 -1.141 1.00 0.00 H new ATOM 236 N LEU A 16 26.471 1.190 1.051 1.00 0.00 N ATOM 237 CA LEU A 16 27.012 0.874 2.367 1.00 0.00 C ATOM 238 C LEU A 16 27.950 -0.328 2.282 1.00 0.00 C ATOM 239 O LEU A 16 29.001 -0.353 2.920 1.00 0.00 O ATOM 240 CB LEU A 16 25.872 0.571 3.343 1.00 0.00 C ATOM 241 CG LEU A 16 26.439 0.385 4.753 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.912 1.734 5.297 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.348 -0.178 5.667 1.00 0.00 C ATOM 0 H LEU A 16 25.459 1.095 0.971 1.00 0.00 H new ATOM 0 HA LEU A 16 27.574 1.735 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.148 1.385 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.343 -0.329 3.031 1.00 0.00 H new ATOM 0 HG LEU A 16 27.281 -0.306 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.315 1.600 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.687 2.138 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.071 2.427 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.748 -0.312 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.508 0.516 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 16 25.010 -1.139 5.280 1.00 0.00 H new ATOM 255 N LEU A 17 27.585 -1.314 1.468 1.00 0.00 N ATOM 256 CA LEU A 17 28.371 -2.541 1.370 1.00 0.00 C ATOM 257 C LEU A 17 29.755 -2.237 0.810 1.00 0.00 C ATOM 258 O LEU A 17 30.769 -2.705 1.329 1.00 0.00 O ATOM 259 CB LEU A 17 27.654 -3.549 0.466 1.00 0.00 C ATOM 260 CG LEU A 17 28.318 -4.925 0.586 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.296 -6.019 0.265 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.487 -5.026 -0.398 1.00 0.00 C ATOM 0 H LEU A 17 26.758 -1.289 0.872 1.00 0.00 H new ATOM 0 HA LEU A 17 28.480 -2.968 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.603 -3.618 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.687 -3.209 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 17 28.687 -5.053 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.770 -6.997 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.464 -5.957 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.925 -5.884 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.955 -6.006 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.119 -4.892 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.220 -4.252 -0.172 1.00 0.00 H new ATOM 274 N LEU A 18 29.791 -1.421 -0.236 1.00 0.00 N ATOM 275 CA LEU A 18 31.059 -1.020 -0.830 1.00 0.00 C ATOM 276 C LEU A 18 31.914 -0.300 0.207 1.00 0.00 C ATOM 277 O LEU A 18 33.111 -0.560 0.328 1.00 0.00 O ATOM 278 CB LEU A 18 30.810 -0.097 -2.027 1.00 0.00 C ATOM 279 CG LEU A 18 29.947 -0.814 -3.067 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.611 0.152 -4.204 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.712 -2.012 -3.638 1.00 0.00 C ATOM 0 H LEU A 18 28.965 -1.027 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 18 31.586 -1.911 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.314 0.815 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.760 0.200 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 18 29.029 -1.160 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.996 -0.358 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.064 1.007 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.533 0.497 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.093 -2.519 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.631 -1.665 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.956 -2.705 -2.833 1.00 0.00 H new ATOM 293 N LEU A 19 31.283 0.574 0.985 1.00 0.00 N ATOM 294 CA LEU A 19 31.995 1.287 2.039 1.00 0.00 C ATOM 295 C LEU A 19 32.623 0.299 3.019 1.00 0.00 C ATOM 296 O LEU A 19 33.761 0.476 3.453 1.00 0.00 O ATOM 297 CB LEU A 19 31.032 2.213 2.786 1.00 0.00 C ATOM 298 CG LEU A 19 31.806 3.056 3.802 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.667 4.083 3.063 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.818 3.785 4.715 1.00 0.00 C ATOM 0 H LEU A 19 30.292 0.804 0.907 1.00 0.00 H new ATOM 0 HA LEU A 19 32.786 1.882 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.516 2.862 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.268 1.625 3.295 1.00 0.00 H new ATOM 0 HG LEU A 19 32.446 2.407 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.218 4.684 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.370 3.566 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.027 4.732 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.368 4.386 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.179 4.434 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.203 3.055 5.241 1.00 0.00 H new ATOM 312 N ALA A 20 31.891 -0.764 3.337 1.00 0.00 N ATOM 313 CA ALA A 20 32.371 -1.746 4.302 1.00 0.00 C ATOM 314 C ALA A 20 33.657 -2.400 3.810 1.00 0.00 C ATOM 315 O ALA A 20 34.632 -2.516 4.553 1.00 0.00 O ATOM 316 CB ALA A 20 31.304 -2.819 4.529 1.00 0.00 C ATOM 0 H ALA A 20 30.971 -0.966 2.945 1.00 0.00 H new ATOM 0 HA ALA A 20 32.576 -1.233 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.670 -3.549 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.396 -2.354 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.085 -3.320 3.586 1.00 0.00 H new ATOM 322 N CYS A 21 33.668 -2.793 2.541 1.00 0.00 N ATOM 323 CA CYS A 21 34.830 -3.470 1.977 1.00 0.00 C ATOM 324 C CYS A 21 36.063 -2.582 2.082 1.00 0.00 C ATOM 325 O CYS A 21 37.121 -3.014 2.541 1.00 0.00 O ATOM 326 CB CYS A 21 34.571 -3.818 0.510 1.00 0.00 C ATOM 327 SG CYS A 21 33.217 -5.015 0.403 1.00 0.00 S ATOM 0 H CYS A 21 32.895 -2.657 1.890 1.00 0.00 H new ATOM 0 HA CYS A 21 35.005 -4.387 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.319 -2.917 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.473 -4.232 0.059 1.00 0.00 H new ATOM 0 HG CYS A 21 32.119 -4.467 0.832 1.00 0.00 H new ATOM 333 N ILE A 22 35.908 -1.320 1.698 1.00 0.00 N ATOM 334 CA ILE A 22 37.031 -0.388 1.710 1.00 0.00 C ATOM 335 C ILE A 22 37.609 -0.280 3.120 1.00 0.00 C ATOM 336 O ILE A 22 38.824 -0.300 3.308 1.00 0.00 O ATOM 337 CB ILE A 22 36.574 0.989 1.212 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.005 0.852 -0.202 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.758 1.961 1.176 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.370 2.177 -0.630 1.00 0.00 C ATOM 0 H ILE A 22 35.026 -0.921 1.378 1.00 0.00 H new ATOM 0 HA ILE A 22 37.809 -0.760 1.044 1.00 0.00 H new ATOM 0 HB ILE A 22 35.813 1.373 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.797 0.575 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.262 0.055 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.419 2.934 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.174 2.065 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.525 1.576 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.965 2.078 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.567 2.435 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.125 2.963 -0.618 1.00 0.00 H new ATOM 352 N PHE A 23 36.728 -0.195 4.110 1.00 0.00 N ATOM 353 CA PHE A 23 37.168 -0.055 5.494 1.00 0.00 C ATOM 354 C PHE A 23 38.046 -1.234 5.895 1.00 0.00 C ATOM 355 O PHE A 23 39.119 -1.058 6.473 1.00 0.00 O ATOM 356 CB PHE A 23 35.958 0.025 6.426 1.00 0.00 C ATOM 357 CG PHE A 23 36.329 0.284 7.866 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.574 -0.791 8.730 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.431 1.598 8.338 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.919 -0.551 10.066 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.777 1.838 9.674 1.00 0.00 C ATOM 362 CZ PHE A 23 37.021 0.763 10.538 1.00 0.00 C ATOM 0 H PHE A 23 35.716 -0.220 3.984 1.00 0.00 H new ATOM 0 HA PHE A 23 37.748 0.864 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.294 0.818 6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.399 -0.908 6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.497 -1.805 8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.243 2.427 7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.106 -1.380 10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.856 2.852 10.038 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.288 0.948 11.568 1.00 0.00 H new ATOM 372 N LEU A 24 37.607 -2.438 5.545 1.00 0.00 N ATOM 373 CA LEU A 24 38.331 -3.643 5.933 1.00 0.00 C ATOM 374 C LEU A 24 39.763 -3.596 5.412 1.00 0.00 C ATOM 375 O LEU A 24 40.710 -3.911 6.133 1.00 0.00 O ATOM 376 CB LEU A 24 37.629 -4.884 5.375 1.00 0.00 C ATOM 377 CG LEU A 24 36.232 -5.010 5.987 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.468 -6.135 5.286 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.357 -5.339 7.475 1.00 0.00 C ATOM 0 H LEU A 24 36.762 -2.605 4.999 1.00 0.00 H new ATOM 0 HA LEU A 24 38.349 -3.695 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.555 -4.814 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.215 -5.776 5.598 1.00 0.00 H new ATOM 0 HG LEU A 24 35.695 -4.069 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.473 -6.225 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.380 -5.908 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.006 -7.074 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.363 -5.429 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.893 -6.280 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.904 -4.542 7.979 1.00 0.00 H new ATOM 391 N ILE A 25 39.916 -3.170 4.164 1.00 0.00 N ATOM 392 CA ILE A 25 41.242 -3.094 3.557 1.00 0.00 C ATOM 393 C ILE A 25 42.125 -2.106 4.315 1.00 0.00 C ATOM 394 O ILE A 25 43.277 -2.402 4.626 1.00 0.00 O ATOM 395 CB ILE A 25 41.126 -2.675 2.085 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.197 -3.635 1.322 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.508 -2.681 1.424 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.679 -5.093 1.411 1.00 0.00 C ATOM 0 H ILE A 25 39.150 -2.875 3.558 1.00 0.00 H new ATOM 0 HA ILE A 25 41.702 -4.081 3.610 1.00 0.00 H new ATOM 0 HB ILE A 25 40.708 -1.669 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.188 -3.561 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.144 -3.334 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.413 -2.382 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.163 -1.982 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.932 -3.684 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.994 -5.737 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.678 -5.173 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.707 -5.404 2.455 1.00 0.00 H new ATOM 410 N LYS A 26 41.572 -0.942 4.639 1.00 0.00 N ATOM 411 CA LYS A 26 42.357 0.110 5.278 1.00 0.00 C ATOM 412 C LYS A 26 42.961 -0.380 6.590 1.00 0.00 C ATOM 413 O LYS A 26 44.108 -0.071 6.908 1.00 0.00 O ATOM 414 CB LYS A 26 41.472 1.330 5.543 1.00 0.00 C ATOM 415 CG LYS A 26 41.031 1.939 4.210 1.00 0.00 C ATOM 416 CD LYS A 26 40.019 3.058 4.463 1.00 0.00 C ATOM 417 CE LYS A 26 40.714 4.246 5.132 1.00 0.00 C ATOM 418 NZ LYS A 26 41.841 4.713 4.276 1.00 0.00 N ATOM 0 H LYS A 26 40.594 -0.704 4.472 1.00 0.00 H new ATOM 0 HA LYS A 26 43.169 0.386 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.600 1.040 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.018 2.069 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 26 41.896 2.332 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.587 1.170 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 26 39.568 3.372 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 26 39.211 2.693 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 26 40.002 5.057 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.086 3.956 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.025 5.719 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 42.694 4.159 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.591 4.587 3.274 1.00 0.00 H new ATOM 432 N ILE A 27 42.181 -1.144 7.346 1.00 0.00 N ATOM 433 CA ILE A 27 42.660 -1.675 8.621 1.00 0.00 C ATOM 434 C ILE A 27 43.763 -2.712 8.406 1.00 0.00 C ATOM 435 O ILE A 27 44.822 -2.641 9.029 1.00 0.00 O ATOM 436 CB ILE A 27 41.496 -2.305 9.401 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.355 -1.289 9.581 1.00 0.00 C ATOM 438 CG2 ILE A 27 41.974 -2.774 10.779 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.828 -0.015 10.298 1.00 0.00 C ATOM 0 H ILE A 27 41.226 -1.408 7.105 1.00 0.00 H new ATOM 0 HA ILE A 27 43.075 -0.848 9.197 1.00 0.00 H new ATOM 0 HB ILE A 27 41.129 -3.160 8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 27 39.946 -1.026 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.547 -1.748 10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.140 -3.218 11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.764 -3.515 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.359 -1.922 11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.991 0.675 10.404 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.212 -0.274 11.285 1.00 0.00 H new ATOM 0 HD13 ILE A 27 41.617 0.459 9.715 1.00 0.00 H new ATOM 451 N LEU A 28 43.511 -3.667 7.517 1.00 0.00 N ATOM 452 CA LEU A 28 44.451 -4.762 7.277 1.00 0.00 C ATOM 453 C LEU A 28 45.815 -4.246 6.816 1.00 0.00 C ATOM 454 O LEU A 28 46.847 -4.837 7.135 1.00 0.00 O ATOM 455 CB LEU A 28 43.876 -5.713 6.224 1.00 0.00 C ATOM 456 CG LEU A 28 44.779 -6.941 6.084 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.685 -7.790 7.352 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.326 -7.770 4.881 1.00 0.00 C ATOM 0 H LEU A 28 42.664 -3.707 6.950 1.00 0.00 H new ATOM 0 HA LEU A 28 44.595 -5.292 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.870 -6.021 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.792 -5.201 5.265 1.00 0.00 H new ATOM 0 HG LEU A 28 45.810 -6.620 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.328 -8.665 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 28 45.006 -7.199 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.654 -8.112 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.968 -8.645 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.295 -8.091 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.392 -7.165 3.977 1.00 0.00 H new