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 75:sc= 0.0187 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.628 1.990 -0.634 1.00 0.00 N ATOM 179 CA PRO A 12 21.104 1.907 0.781 1.00 0.00 C ATOM 180 C PRO A 12 22.182 0.842 0.974 1.00 0.00 C ATOM 181 O PRO A 12 23.349 1.162 1.196 1.00 0.00 O ATOM 182 CB PRO A 12 19.849 1.582 1.597 1.00 0.00 C ATOM 183 CG PRO A 12 18.884 0.985 0.632 1.00 0.00 C ATOM 184 CD PRO A 12 19.210 1.583 -0.736 1.00 0.00 C ATOM 0 HA PRO A 12 21.575 2.839 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.076 0.886 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.438 2.480 2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.977 -0.101 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.857 1.212 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.063 0.854 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.568 2.435 -0.960 1.00 0.00 H new ATOM 192 N THR A 13 21.796 -0.424 0.867 1.00 0.00 N ATOM 193 CA THR A 13 22.735 -1.523 1.098 1.00 0.00 C ATOM 194 C THR A 13 23.915 -1.514 0.118 1.00 0.00 C ATOM 195 O THR A 13 24.944 -2.132 0.388 1.00 0.00 O ATOM 196 CB THR A 13 22.001 -2.862 0.987 1.00 0.00 C ATOM 197 OG1 THR A 13 21.482 -3.007 -0.328 1.00 0.00 O ATOM 198 CG2 THR A 13 20.856 -2.911 1.999 1.00 0.00 C ATOM 0 H THR A 13 20.850 -0.717 0.624 1.00 0.00 H new ATOM 0 HA THR A 13 23.141 -1.387 2.101 1.00 0.00 H new ATOM 0 HB THR A 13 22.697 -3.674 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.013 -3.864 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.337 -3.866 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.256 -2.802 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.157 -2.099 1.797 1.00 0.00 H new ATOM 206 N SER A 14 23.810 -0.768 -0.980 1.00 0.00 N ATOM 207 CA SER A 14 24.816 -0.835 -2.035 1.00 0.00 C ATOM 208 C SER A 14 26.007 0.030 -1.653 1.00 0.00 C ATOM 209 O SER A 14 27.151 -0.426 -1.635 1.00 0.00 O ATOM 210 CB SER A 14 24.229 -0.350 -3.360 1.00 0.00 C ATOM 211 OG SER A 14 23.003 -1.028 -3.603 1.00 0.00 O ATOM 0 H SER A 14 23.046 -0.117 -1.161 1.00 0.00 H new ATOM 0 HA SER A 14 25.138 -1.869 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.063 0.727 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.930 -0.538 -4.173 1.00 0.00 H new ATOM 0 HG SER A 14 22.621 -0.719 -4.451 1.00 0.00 H new ATOM 217 N ILE A 15 25.716 1.277 -1.305 1.00 0.00 N ATOM 218 CA ILE A 15 26.750 2.170 -0.801 1.00 0.00 C ATOM 219 C ILE A 15 27.297 1.644 0.526 1.00 0.00 C ATOM 220 O ILE A 15 28.492 1.745 0.794 1.00 0.00 O ATOM 221 CB ILE A 15 26.198 3.592 -0.641 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.331 4.530 -0.222 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.086 3.627 0.413 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.895 5.982 -0.424 1.00 0.00 C ATOM 0 H ILE A 15 24.785 1.689 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 15 27.568 2.205 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 15 25.781 3.916 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.590 4.359 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.225 4.323 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.709 4.645 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.274 2.967 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.483 3.294 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.703 6.650 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.657 6.148 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.013 6.185 0.184 1.00 0.00 H new ATOM 236 N LEU A 16 26.423 1.052 1.343 1.00 0.00 N ATOM 237 CA LEU A 16 26.859 0.461 2.601 1.00 0.00 C ATOM 238 C LEU A 16 27.859 -0.664 2.339 1.00 0.00 C ATOM 239 O LEU A 16 28.863 -0.790 3.038 1.00 0.00 O ATOM 240 CB LEU A 16 25.653 -0.090 3.364 1.00 0.00 C ATOM 241 CG LEU A 16 26.096 -0.588 4.742 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.457 0.608 5.625 1.00 0.00 C ATOM 243 CD2 LEU A 16 24.953 -1.372 5.390 1.00 0.00 C ATOM 0 H LEU A 16 25.423 0.972 1.156 1.00 0.00 H new ATOM 0 HA LEU A 16 27.343 1.233 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.895 0.686 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.197 -0.905 2.802 1.00 0.00 H new ATOM 0 HG LEU A 16 26.967 -1.235 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.772 0.254 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.270 1.169 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.587 1.255 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.266 -1.728 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.083 -0.724 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.694 -2.224 4.761 1.00 0.00 H new ATOM 255 N LEU A 17 27.603 -1.458 1.304 1.00 0.00 N ATOM 256 CA LEU A 17 28.448 -2.611 1.012 1.00 0.00 C ATOM 257 C LEU A 17 29.851 -2.159 0.622 1.00 0.00 C ATOM 258 O LEU A 17 30.850 -2.692 1.106 1.00 0.00 O ATOM 259 CB LEU A 17 27.836 -3.432 -0.127 1.00 0.00 C ATOM 260 CG LEU A 17 28.644 -4.714 -0.331 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.402 -5.663 0.843 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.201 -5.391 -1.631 1.00 0.00 C ATOM 0 H LEU A 17 26.824 -1.326 0.658 1.00 0.00 H new ATOM 0 HA LEU A 17 28.514 -3.228 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.800 -3.677 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.827 -2.846 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 17 29.705 -4.470 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.978 -6.577 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.714 -5.182 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.341 -5.908 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.775 -6.305 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.140 -5.635 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.372 -4.716 -2.469 1.00 0.00 H new ATOM 274 N LEU A 18 29.916 -1.153 -0.239 1.00 0.00 N ATOM 275 CA LEU A 18 31.199 -0.614 -0.671 1.00 0.00 C ATOM 276 C LEU A 18 31.967 -0.070 0.529 1.00 0.00 C ATOM 277 O LEU A 18 33.167 -0.302 0.667 1.00 0.00 O ATOM 278 CB LEU A 18 30.980 0.503 -1.694 1.00 0.00 C ATOM 279 CG LEU A 18 32.329 0.974 -2.242 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.915 -0.106 -3.153 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.128 2.261 -3.044 1.00 0.00 C ATOM 0 H LEU A 18 29.102 -0.696 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 18 31.779 -1.413 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.351 0.145 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.455 1.337 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 18 33.013 1.161 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.876 0.229 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.055 -1.025 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.232 -0.293 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.087 2.599 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.445 2.071 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.709 3.031 -2.397 1.00 0.00 H new ATOM 293 N LEU A 19 31.259 0.627 1.411 1.00 0.00 N ATOM 294 CA LEU A 19 31.883 1.175 2.608 1.00 0.00 C ATOM 295 C LEU A 19 32.498 0.059 3.447 1.00 0.00 C ATOM 296 O LEU A 19 33.613 0.189 3.950 1.00 0.00 O ATOM 297 CB LEU A 19 30.837 1.933 3.432 1.00 0.00 C ATOM 298 CG LEU A 19 31.522 2.713 4.562 1.00 0.00 C ATOM 299 CD1 LEU A 19 30.681 3.942 4.922 1.00 0.00 C ATOM 300 CD2 LEU A 19 31.663 1.818 5.798 1.00 0.00 C ATOM 0 H LEU A 19 30.262 0.824 1.321 1.00 0.00 H new ATOM 0 HA LEU A 19 32.676 1.861 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.283 2.618 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.114 1.232 3.849 1.00 0.00 H new ATOM 0 HG LEU A 19 32.510 3.030 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 31.169 4.495 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 30.582 4.584 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.692 3.623 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.150 2.376 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.675 1.497 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.264 0.944 5.548 1.00 0.00 H new ATOM 312 N ALA A 20 31.791 -1.063 3.549 1.00 0.00 N ATOM 313 CA ALA A 20 32.253 -2.164 4.386 1.00 0.00 C ATOM 314 C ALA A 20 33.578 -2.715 3.869 1.00 0.00 C ATOM 315 O ALA A 20 34.553 -2.825 4.614 1.00 0.00 O ATOM 316 CB ALA A 20 31.208 -3.280 4.403 1.00 0.00 C ATOM 0 H ALA A 20 30.907 -1.232 3.069 1.00 0.00 H new ATOM 0 HA ALA A 20 32.401 -1.787 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.560 -4.099 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.270 -2.894 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.047 -3.644 3.388 1.00 0.00 H new ATOM 322 N CYS A 21 33.625 -3.007 2.576 1.00 0.00 N ATOM 323 CA CYS A 21 34.802 -3.640 1.994 1.00 0.00 C ATOM 324 C CYS A 21 36.024 -2.745 2.148 1.00 0.00 C ATOM 325 O CYS A 21 37.060 -3.170 2.661 1.00 0.00 O ATOM 326 CB CYS A 21 34.560 -3.927 0.510 1.00 0.00 C ATOM 327 SG CYS A 21 33.240 -5.152 0.340 1.00 0.00 S ATOM 0 H CYS A 21 32.871 -2.818 1.916 1.00 0.00 H new ATOM 0 HA CYS A 21 34.985 -4.577 2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.287 -3.008 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.475 -4.296 0.046 1.00 0.00 H new ATOM 0 HG CYS A 21 32.094 -4.592 0.589 1.00 0.00 H new ATOM 333 N ILE A 22 35.885 -1.490 1.738 1.00 0.00 N ATOM 334 CA ILE A 22 37.015 -0.568 1.762 1.00 0.00 C ATOM 335 C ILE A 22 37.527 -0.359 3.187 1.00 0.00 C ATOM 336 O ILE A 22 38.733 -0.307 3.415 1.00 0.00 O ATOM 337 CB ILE A 22 36.625 0.770 1.120 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.858 1.672 1.032 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.535 1.467 1.939 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.575 2.830 0.074 1.00 0.00 C ATOM 0 H ILE A 22 35.014 -1.091 1.389 1.00 0.00 H new ATOM 0 HA ILE A 22 37.826 -1.008 1.181 1.00 0.00 H new ATOM 0 HB ILE A 22 36.236 0.577 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.112 2.057 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.717 1.099 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.274 2.414 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.652 0.829 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 22 35.902 1.655 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.453 3.473 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.342 2.435 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.728 3.408 0.442 1.00 0.00 H new ATOM 352 N PHE A 23 36.615 -0.307 4.151 1.00 0.00 N ATOM 353 CA PHE A 23 36.992 -0.038 5.533 1.00 0.00 C ATOM 354 C PHE A 23 37.941 -1.115 6.044 1.00 0.00 C ATOM 355 O PHE A 23 39.046 -0.826 6.509 1.00 0.00 O ATOM 356 CB PHE A 23 35.725 0.003 6.390 1.00 0.00 C ATOM 357 CG PHE A 23 35.960 0.354 7.839 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.205 -0.659 8.774 1.00 0.00 C ATOM 359 CD2 PHE A 23 35.921 1.692 8.251 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.411 -0.334 10.120 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.129 2.017 9.597 1.00 0.00 C ATOM 362 CZ PHE A 23 36.373 1.004 10.532 1.00 0.00 C ATOM 0 H PHE A 23 35.616 -0.447 4.003 1.00 0.00 H new ATOM 0 HA PHE A 23 37.507 0.921 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.035 0.729 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.236 -0.970 6.340 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.235 -1.691 8.457 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.730 2.473 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.599 -1.116 10.841 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.101 3.049 9.914 1.00 0.00 H new ATOM 0 HZ PHE A 23 36.532 1.254 11.571 1.00 0.00 H new ATOM 372 N LEU A 24 37.530 -2.368 5.887 1.00 0.00 N ATOM 373 CA LEU A 24 38.307 -3.479 6.427 1.00 0.00 C ATOM 374 C LEU A 24 39.683 -3.572 5.773 1.00 0.00 C ATOM 375 O LEU A 24 40.689 -3.745 6.460 1.00 0.00 O ATOM 376 CB LEU A 24 37.556 -4.798 6.229 1.00 0.00 C ATOM 377 CG LEU A 24 36.515 -4.976 7.339 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.232 -4.229 6.971 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.202 -6.464 7.510 1.00 0.00 C ATOM 0 H LEU A 24 36.677 -2.639 5.398 1.00 0.00 H new ATOM 0 HA LEU A 24 38.447 -3.294 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.067 -4.806 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.258 -5.632 6.240 1.00 0.00 H new ATOM 0 HG LEU A 24 36.912 -4.574 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.495 -4.359 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.451 -3.168 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.834 -4.627 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.461 -6.592 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.808 -6.863 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.113 -6.999 7.777 1.00 0.00 H new ATOM 391 N ILE A 25 39.735 -3.416 4.452 1.00 0.00 N ATOM 392 CA ILE A 25 40.984 -3.635 3.728 1.00 0.00 C ATOM 393 C ILE A 25 42.038 -2.581 4.069 1.00 0.00 C ATOM 394 O ILE A 25 43.200 -2.922 4.295 1.00 0.00 O ATOM 395 CB ILE A 25 40.726 -3.706 2.217 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.077 -2.409 1.712 1.00 0.00 C ATOM 397 CG2 ILE A 25 39.801 -4.897 1.942 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.852 -2.479 0.196 1.00 0.00 C ATOM 0 H ILE A 25 38.943 -3.144 3.870 1.00 0.00 H new ATOM 0 HA ILE A 25 41.388 -4.595 4.050 1.00 0.00 H new ATOM 0 HB ILE A 25 41.673 -3.832 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.126 -2.249 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.714 -1.558 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.605 -4.966 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.279 -5.815 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.861 -4.758 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.391 -1.552 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 25 40.809 -2.617 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.196 -3.318 -0.036 1.00 0.00 H new ATOM 410 N LYS A 26 41.639 -1.313 4.148 1.00 0.00 N ATOM 411 CA LYS A 26 42.593 -0.243 4.430 1.00 0.00 C ATOM 412 C LYS A 26 43.214 -0.398 5.814 1.00 0.00 C ATOM 413 O LYS A 26 44.408 -0.152 5.989 1.00 0.00 O ATOM 414 CB LYS A 26 41.915 1.124 4.318 1.00 0.00 C ATOM 415 CG LYS A 26 41.367 1.332 2.901 1.00 0.00 C ATOM 416 CD LYS A 26 42.518 1.426 1.896 1.00 0.00 C ATOM 417 CE LYS A 26 41.967 1.858 0.536 1.00 0.00 C ATOM 418 NZ LYS A 26 43.092 2.284 -0.342 1.00 0.00 N ATOM 0 H LYS A 26 40.675 -1.004 4.023 1.00 0.00 H new ATOM 0 HA LYS A 26 43.389 -0.312 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.104 1.196 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.628 1.912 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 26 40.708 0.506 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.768 2.242 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.262 2.142 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.020 0.462 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 26 41.422 1.035 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.259 2.677 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.718 2.578 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.593 3.082 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 43.751 1.490 -0.471 1.00 0.00 H new ATOM 432 N ILE A 27 42.408 -0.794 6.795 1.00 0.00 N ATOM 433 CA ILE A 27 42.916 -0.961 8.155 1.00 0.00 C ATOM 434 C ILE A 27 43.911 -2.120 8.231 1.00 0.00 C ATOM 435 O ILE A 27 44.980 -1.988 8.829 1.00 0.00 O ATOM 436 CB ILE A 27 41.753 -1.190 9.131 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.786 -0.005 9.047 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.280 -1.299 10.567 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.541 -0.294 9.889 1.00 0.00 C ATOM 0 H ILE A 27 41.416 -1.003 6.679 1.00 0.00 H new ATOM 0 HA ILE A 27 43.440 -0.048 8.438 1.00 0.00 H new ATOM 0 HB ILE A 27 41.243 -2.115 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 27 41.275 0.902 9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.502 0.172 8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.446 -1.461 11.249 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.974 -2.136 10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.795 -0.377 10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.855 0.551 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.047 -1.190 9.513 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.832 -0.449 10.928 1.00 0.00 H new ATOM 451 N LEU A 28 43.562 -3.250 7.624 1.00 0.00 N ATOM 452 CA LEU A 28 44.403 -4.439 7.709 1.00 0.00 C ATOM 453 C LEU A 28 45.779 -4.172 7.110 1.00 0.00 C ATOM 454 O LEU A 28 46.800 -4.561 7.678 1.00 0.00 O ATOM 455 CB LEU A 28 43.736 -5.600 6.968 1.00 0.00 C ATOM 456 CG LEU A 28 44.542 -6.883 7.182 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.381 -7.352 8.630 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.028 -7.970 6.236 1.00 0.00 C ATOM 0 H LEU A 28 42.712 -3.367 7.073 1.00 0.00 H new ATOM 0 HA LEU A 28 44.526 -4.699 8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.716 -5.736 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.670 -5.374 5.904 1.00 0.00 H new ATOM 0 HG LEU A 28 45.595 -6.689 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 28 44.955 -8.266 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.745 -6.578 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.328 -7.547 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.601 -8.885 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.975 -8.163 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.141 -7.637 5.204 1.00 0.00 H new