USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 291 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 36 THR OG1 : rot 108:sc= 1.22 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= -0.202 (180deg=-0.206) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N GLY A 9 -0.689 -19.287 -11.839 1.00 0.00 N ATOM 125 CA GLY A 9 -0.212 -18.991 -13.185 1.00 0.00 C ATOM 126 C GLY A 9 1.165 -18.336 -13.143 1.00 0.00 C ATOM 127 O GLY A 9 1.945 -18.448 -14.088 1.00 0.00 O ATOM 0 HA2 GLY A 9 -0.164 -19.910 -13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.918 -18.331 -13.688 1.00 0.00 H new ATOM 131 N LEU A 10 1.452 -17.641 -12.045 1.00 0.00 N ATOM 132 CA LEU A 10 2.731 -16.959 -11.893 1.00 0.00 C ATOM 133 C LEU A 10 3.883 -17.955 -11.863 1.00 0.00 C ATOM 134 O LEU A 10 4.943 -17.698 -12.425 1.00 0.00 O ATOM 135 CB LEU A 10 2.725 -16.114 -10.615 1.00 0.00 C ATOM 136 CG LEU A 10 4.054 -15.319 -10.476 1.00 0.00 C ATOM 137 CD1 LEU A 10 3.776 -13.923 -9.904 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.012 -16.051 -9.524 1.00 0.00 C ATOM 0 H LEU A 10 0.819 -17.536 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 10 2.875 -16.305 -12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.882 -15.423 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.589 -16.759 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 10 4.505 -15.234 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.713 -13.375 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.105 -13.383 -10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.312 -14.018 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.939 -15.485 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.548 -16.145 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.230 -17.043 -9.919 1.00 0.00 H new ATOM 150 N ILE A 11 3.674 -19.091 -11.203 1.00 0.00 N ATOM 151 CA ILE A 11 4.717 -20.107 -11.106 1.00 0.00 C ATOM 152 C ILE A 11 5.114 -20.589 -12.493 1.00 0.00 C ATOM 153 O ILE A 11 6.295 -20.702 -12.781 1.00 0.00 O ATOM 154 CB ILE A 11 4.217 -21.292 -10.243 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.366 -20.964 -8.749 1.00 0.00 C ATOM 156 CG2 ILE A 11 5.009 -22.569 -10.556 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.805 -19.575 -8.446 1.00 0.00 C ATOM 0 H ILE A 11 2.801 -19.329 -10.732 1.00 0.00 H new ATOM 0 HA ILE A 11 5.595 -19.671 -10.630 1.00 0.00 H new ATOM 0 HB ILE A 11 3.166 -21.457 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.843 -21.712 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.417 -21.008 -8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.640 -23.387 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.885 -22.825 -11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.065 -22.403 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.919 -19.360 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.347 -18.829 -9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.748 -19.544 -8.711 1.00 0.00 H new ATOM 169 N LEU A 12 4.141 -20.852 -13.348 1.00 0.00 N ATOM 170 CA LEU A 12 4.440 -21.319 -14.688 1.00 0.00 C ATOM 171 C LEU A 12 5.302 -20.294 -15.406 1.00 0.00 C ATOM 172 O LEU A 12 6.299 -20.649 -16.025 1.00 0.00 O ATOM 173 CB LEU A 12 3.135 -21.525 -15.448 1.00 0.00 C ATOM 174 CG LEU A 12 3.408 -22.110 -16.840 1.00 0.00 C ATOM 175 CD1 LEU A 12 4.017 -23.517 -16.715 1.00 0.00 C ATOM 176 CD2 LEU A 12 2.086 -22.178 -17.611 1.00 0.00 C ATOM 0 H LEU A 12 3.147 -20.751 -13.140 1.00 0.00 H new ATOM 0 HA LEU A 12 4.983 -22.263 -14.636 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.483 -22.195 -14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.609 -20.575 -15.543 1.00 0.00 H new ATOM 0 HG LEU A 12 4.116 -21.475 -17.373 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.206 -23.921 -17.709 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.955 -23.460 -16.162 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.322 -24.168 -16.185 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.264 -22.592 -18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.383 -22.814 -17.073 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.668 -21.176 -17.706 1.00 0.00 H new ATOM 188 N ILE A 13 4.930 -19.027 -15.284 1.00 0.00 N ATOM 189 CA ILE A 13 5.696 -17.942 -15.892 1.00 0.00 C ATOM 190 C ILE A 13 7.057 -17.826 -15.240 1.00 0.00 C ATOM 191 O ILE A 13 8.065 -17.591 -15.909 1.00 0.00 O ATOM 192 CB ILE A 13 4.939 -16.609 -15.745 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.835 -16.529 -16.805 1.00 0.00 C ATOM 194 CG2 ILE A 13 5.905 -15.422 -15.904 1.00 0.00 C ATOM 195 CD1 ILE A 13 2.922 -15.340 -16.507 1.00 0.00 C ATOM 0 H ILE A 13 4.103 -18.723 -14.770 1.00 0.00 H new ATOM 0 HA ILE A 13 5.827 -18.166 -16.951 1.00 0.00 H new ATOM 0 HB ILE A 13 4.494 -16.562 -14.751 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.276 -16.422 -17.796 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.256 -17.452 -16.812 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.354 -14.488 -15.797 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.678 -15.477 -15.138 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.368 -15.459 -16.890 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.138 -15.285 -17.262 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.470 -15.466 -15.523 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.506 -14.420 -16.523 1.00 0.00 H new ATOM 207 N PHE A 14 7.073 -17.938 -13.927 1.00 0.00 N ATOM 208 CA PHE A 14 8.302 -17.788 -13.198 1.00 0.00 C ATOM 209 C PHE A 14 9.323 -18.792 -13.713 1.00 0.00 C ATOM 210 O PHE A 14 10.485 -18.452 -13.921 1.00 0.00 O ATOM 211 CB PHE A 14 8.029 -17.992 -11.706 1.00 0.00 C ATOM 212 CG PHE A 14 9.046 -17.249 -10.864 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.131 -15.852 -10.946 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.898 -17.951 -10.001 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.066 -15.159 -10.171 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.834 -17.255 -9.224 1.00 0.00 C ATOM 217 CZ PHE A 14 10.918 -15.860 -9.310 1.00 0.00 C ATOM 0 H PHE A 14 6.252 -18.131 -13.353 1.00 0.00 H new ATOM 0 HA PHE A 14 8.707 -16.786 -13.342 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.025 -17.642 -11.465 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.061 -19.055 -11.468 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.473 -15.310 -11.609 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.833 -19.027 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.131 -14.083 -10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.491 -17.795 -8.558 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.641 -15.325 -8.712 1.00 0.00 H new ATOM 227 N VAL A 15 8.864 -20.018 -13.937 1.00 0.00 N ATOM 228 CA VAL A 15 9.727 -21.082 -14.443 1.00 0.00 C ATOM 229 C VAL A 15 10.398 -20.655 -15.738 1.00 0.00 C ATOM 230 O VAL A 15 11.584 -20.899 -15.950 1.00 0.00 O ATOM 231 CB VAL A 15 8.910 -22.354 -14.675 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.877 -23.518 -14.942 1.00 0.00 C ATOM 233 CG2 VAL A 15 8.039 -22.652 -13.426 1.00 0.00 C ATOM 0 H VAL A 15 7.897 -20.301 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 15 10.499 -21.283 -13.700 1.00 0.00 H new ATOM 0 HB VAL A 15 8.250 -22.225 -15.533 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.308 -24.433 -15.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.477 -23.297 -15.825 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.533 -23.651 -14.081 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.458 -23.559 -13.595 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.683 -22.790 -12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.363 -21.816 -13.246 1.00 0.00 H new ATOM 243 N ILE A 16 9.635 -20.009 -16.599 1.00 0.00 N ATOM 244 CA ILE A 16 10.178 -19.544 -17.874 1.00 0.00 C ATOM 245 C ILE A 16 11.408 -18.684 -17.627 1.00 0.00 C ATOM 246 O ILE A 16 12.353 -18.693 -18.405 1.00 0.00 O ATOM 247 CB ILE A 16 9.136 -18.730 -18.626 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.827 -19.515 -18.667 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.626 -18.452 -20.047 1.00 0.00 C ATOM 250 CD1 ILE A 16 8.049 -20.918 -19.250 1.00 0.00 C ATOM 0 H ILE A 16 8.650 -19.793 -16.448 1.00 0.00 H new ATOM 0 HA ILE A 16 10.453 -20.412 -18.473 1.00 0.00 H new ATOM 0 HB ILE A 16 8.973 -17.779 -18.119 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.415 -19.596 -17.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.095 -18.978 -19.270 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.877 -17.869 -20.583 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.561 -17.893 -20.007 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.790 -19.396 -20.566 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.102 -21.458 -19.269 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.439 -20.833 -20.264 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.764 -21.460 -18.631 1.00 0.00 H new ATOM 262 N ALA A 17 11.381 -17.948 -16.533 1.00 0.00 N ATOM 263 CA ALA A 17 12.504 -17.096 -16.160 1.00 0.00 C ATOM 264 C ALA A 17 13.641 -17.957 -15.605 1.00 0.00 C ATOM 265 O ALA A 17 14.813 -17.655 -15.773 1.00 0.00 O ATOM 266 CB ALA A 17 12.040 -16.069 -15.106 1.00 0.00 C ATOM 0 H ALA A 17 10.595 -17.920 -15.883 1.00 0.00 H new ATOM 0 HA ALA A 17 12.868 -16.561 -17.037 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.878 -15.431 -14.826 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.241 -15.456 -15.523 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.673 -16.594 -14.224 1.00 0.00 H new ATOM 272 N LEU A 18 13.273 -19.014 -14.914 1.00 0.00 N ATOM 273 CA LEU A 18 14.246 -19.888 -14.298 1.00 0.00 C ATOM 274 C LEU A 18 15.121 -20.587 -15.322 1.00 0.00 C ATOM 275 O LEU A 18 16.330 -20.723 -15.128 1.00 0.00 O ATOM 276 CB LEU A 18 13.515 -20.927 -13.462 1.00 0.00 C ATOM 277 CG LEU A 18 12.697 -20.263 -12.328 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.244 -21.308 -11.300 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.492 -19.158 -11.637 1.00 0.00 C ATOM 0 H LEU A 18 12.302 -19.289 -14.765 1.00 0.00 H new ATOM 0 HA LEU A 18 14.899 -19.278 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.850 -21.508 -14.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.235 -21.624 -13.034 1.00 0.00 H new ATOM 0 HG LEU A 18 11.816 -19.812 -12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.671 -20.819 -10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.621 -22.055 -11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.118 -21.793 -10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.887 -18.714 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.400 -19.579 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.757 -18.391 -12.365 1.00 0.00 H new ATOM 291 N ILE A 19 14.520 -21.037 -16.398 1.00 0.00 N ATOM 292 CA ILE A 19 15.279 -21.722 -17.423 1.00 0.00 C ATOM 293 C ILE A 19 16.361 -20.797 -17.974 1.00 0.00 C ATOM 294 O ILE A 19 17.497 -21.215 -18.203 1.00 0.00 O ATOM 295 CB ILE A 19 14.336 -22.211 -18.529 1.00 0.00 C ATOM 296 CG1 ILE A 19 15.130 -22.658 -19.760 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.375 -21.096 -18.913 1.00 0.00 C ATOM 298 CD1 ILE A 19 14.190 -23.392 -20.723 1.00 0.00 C ATOM 0 H ILE A 19 13.522 -20.944 -16.587 1.00 0.00 H new ATOM 0 HA ILE A 19 15.773 -22.594 -16.994 1.00 0.00 H new ATOM 0 HB ILE A 19 13.772 -23.065 -18.153 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.575 -21.795 -20.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.949 -23.312 -19.462 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.706 -21.447 -19.699 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.789 -20.804 -18.041 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.940 -20.237 -19.274 1.00 0.00 H new ATOM 0 HD11 ILE A 19 14.748 -23.713 -21.602 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.766 -24.263 -20.224 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.386 -22.722 -21.029 1.00 0.00 H new ATOM 310 N ILE A 20 16.008 -19.532 -18.172 1.00 0.00 N ATOM 311 CA ILE A 20 16.959 -18.549 -18.681 1.00 0.00 C ATOM 312 C ILE A 20 17.816 -17.971 -17.545 1.00 0.00 C ATOM 313 O ILE A 20 18.983 -17.644 -17.752 1.00 0.00 O ATOM 314 CB ILE A 20 16.206 -17.442 -19.431 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.196 -16.345 -19.914 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.123 -16.866 -18.526 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.183 -15.135 -18.979 1.00 0.00 C ATOM 0 H ILE A 20 15.075 -19.163 -17.989 1.00 0.00 H new ATOM 0 HA ILE A 20 17.638 -19.042 -19.377 1.00 0.00 H new ATOM 0 HB ILE A 20 15.727 -17.858 -20.317 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.204 -16.758 -19.964 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.930 -16.031 -20.923 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.586 -16.079 -19.056 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.426 -17.655 -18.245 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.582 -16.451 -17.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.886 -14.386 -19.344 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.180 -14.709 -18.950 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.474 -15.447 -17.976 1.00 0.00 H new ATOM 329 N PHE A 21 17.242 -17.850 -16.332 1.00 0.00 N ATOM 330 CA PHE A 21 17.986 -17.320 -15.187 1.00 0.00 C ATOM 331 C PHE A 21 18.492 -18.464 -14.307 1.00 0.00 C ATOM 332 O PHE A 21 19.670 -18.811 -14.388 1.00 0.00 O ATOM 333 CB PHE A 21 17.117 -16.346 -14.386 1.00 0.00 C ATOM 334 CG PHE A 21 16.792 -15.137 -15.252 1.00 0.00 C ATOM 335 CD1 PHE A 21 17.825 -14.324 -15.757 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.460 -14.840 -15.571 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.518 -13.230 -16.578 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.160 -13.743 -16.386 1.00 0.00 C ATOM 339 CZ PHE A 21 16.187 -12.941 -16.891 1.00 0.00 C ATOM 0 H PHE A 21 16.277 -18.110 -16.127 1.00 0.00 H new ATOM 0 HA PHE A 21 18.852 -16.769 -15.555 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.198 -16.838 -14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.640 -16.031 -13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.854 -14.543 -15.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.663 -15.459 -15.187 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.311 -12.610 -16.969 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.132 -13.515 -16.626 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.952 -12.098 -17.523 1.00 0.00 H new ATOM 349 N GLY A 22 17.608 -19.093 -13.508 1.00 0.00 N ATOM 350 CA GLY A 22 18.028 -20.229 -12.682 1.00 0.00 C ATOM 351 C GLY A 22 17.748 -20.008 -11.177 1.00 0.00 C ATOM 352 O GLY A 22 18.284 -19.057 -10.607 1.00 0.00 O ATOM 0 H GLY A 22 16.624 -18.838 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.509 -21.127 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.094 -20.404 -12.827 1.00 0.00 H new ATOM 356 N PRO A 23 16.966 -20.861 -10.508 1.00 0.00 N ATOM 357 CA PRO A 23 16.694 -20.724 -9.031 1.00 0.00 C ATOM 358 C PRO A 23 17.972 -20.610 -8.199 1.00 0.00 C ATOM 359 O PRO A 23 17.932 -20.165 -7.060 1.00 0.00 O ATOM 360 CB PRO A 23 15.952 -22.035 -8.659 1.00 0.00 C ATOM 361 CG PRO A 23 16.103 -22.929 -9.849 1.00 0.00 C ATOM 362 CD PRO A 23 16.205 -22.018 -11.038 1.00 0.00 C ATOM 0 HA PRO A 23 16.127 -19.816 -8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.383 -22.491 -7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.901 -21.844 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.992 -23.553 -9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.250 -23.601 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.724 -22.496 -11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.222 -21.721 -11.404 1.00 0.00 H new ATOM 422 N PRO A 27 18.797 -16.245 -6.414 1.00 0.00 N ATOM 423 CA PRO A 27 19.039 -15.936 -4.968 1.00 0.00 C ATOM 424 C PRO A 27 20.359 -15.196 -4.751 1.00 0.00 C ATOM 425 O PRO A 27 20.440 -14.254 -3.964 1.00 0.00 O ATOM 426 CB PRO A 27 19.074 -17.314 -4.288 1.00 0.00 C ATOM 427 CG PRO A 27 18.413 -18.246 -5.243 1.00 0.00 C ATOM 428 CD PRO A 27 18.691 -17.689 -6.638 1.00 0.00 C ATOM 0 HA PRO A 27 18.269 -15.279 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.099 -17.624 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.549 -17.294 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.810 -19.256 -5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.341 -18.304 -5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.610 -18.099 -7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.887 -17.929 -7.334 1.00 0.00 H new ATOM 436 N GLU A 28 21.390 -15.652 -5.452 1.00 0.00 N ATOM 437 CA GLU A 28 22.714 -15.058 -5.336 1.00 0.00 C ATOM 438 C GLU A 28 22.692 -13.600 -5.760 1.00 0.00 C ATOM 439 O GLU A 28 23.248 -12.737 -5.080 1.00 0.00 O ATOM 440 CB GLU A 28 23.700 -15.861 -6.186 1.00 0.00 C ATOM 441 CG GLU A 28 25.070 -15.204 -6.122 1.00 0.00 C ATOM 442 CD GLU A 28 26.116 -16.084 -6.796 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.729 -17.024 -7.469 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.293 -15.805 -6.627 1.00 0.00 O ATOM 0 H GLU A 28 21.333 -16.432 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 28 23.032 -15.089 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.759 -16.887 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.354 -15.907 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.036 -14.230 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.348 -15.030 -5.083 1.00 0.00 H new ATOM 451 N ILE A 29 22.034 -13.331 -6.869 1.00 0.00 N ATOM 452 CA ILE A 29 21.925 -11.970 -7.363 1.00 0.00 C ATOM 453 C ILE A 29 21.052 -11.140 -6.433 1.00 0.00 C ATOM 454 O ILE A 29 21.344 -9.975 -6.162 1.00 0.00 O ATOM 455 CB ILE A 29 21.339 -11.980 -8.765 1.00 0.00 C ATOM 456 CG1 ILE A 29 22.233 -12.815 -9.676 1.00 0.00 C ATOM 457 CG2 ILE A 29 21.260 -10.549 -9.296 1.00 0.00 C ATOM 458 CD1 ILE A 29 21.506 -13.102 -10.986 1.00 0.00 C ATOM 0 H ILE A 29 21.568 -14.032 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 29 22.918 -11.522 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 29 20.338 -12.410 -8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.164 -12.284 -9.874 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.498 -13.750 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.840 -10.557 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.624 -9.953 -8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.260 -10.116 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.147 -13.699 -11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 29 20.587 -13.651 -10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 29 21.263 -12.162 -11.481 1.00 0.00 H new ATOM 470 N GLY A 30 19.969 -11.748 -5.960 1.00 0.00 N ATOM 471 CA GLY A 30 19.046 -11.056 -5.073 1.00 0.00 C ATOM 472 C GLY A 30 19.750 -10.583 -3.808 1.00 0.00 C ATOM 473 O GLY A 30 19.528 -9.462 -3.358 1.00 0.00 O ATOM 0 H GLY A 30 19.712 -12.711 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.611 -10.202 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.224 -11.721 -4.808 1.00 0.00 H new ATOM 477 N ARG A 31 20.597 -11.432 -3.231 1.00 0.00 N ATOM 478 CA ARG A 31 21.316 -11.061 -2.023 1.00 0.00 C ATOM 479 C ARG A 31 22.271 -9.920 -2.303 1.00 0.00 C ATOM 480 O ARG A 31 22.373 -8.971 -1.530 1.00 0.00 O ATOM 481 CB ARG A 31 22.133 -12.247 -1.567 1.00 0.00 C ATOM 482 CG ARG A 31 21.205 -13.387 -1.135 1.00 0.00 C ATOM 483 CD ARG A 31 21.949 -14.703 -1.249 1.00 0.00 C ATOM 484 NE ARG A 31 21.364 -15.701 -0.360 1.00 0.00 N ATOM 485 CZ ARG A 31 21.717 -15.773 0.921 1.00 0.00 C ATOM 486 NH1 ARG A 31 22.615 -14.955 1.397 1.00 0.00 N ATOM 487 NH2 ARG A 31 21.164 -16.661 1.703 1.00 0.00 N ATOM 0 H ARG A 31 20.798 -12.370 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 31 20.596 -10.756 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 31 22.784 -12.583 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 31 22.778 -11.958 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 31 20.871 -13.232 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 31 20.313 -13.404 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 31 21.913 -15.059 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.000 -14.556 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 31 20.672 -16.355 -0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 31 23.046 -14.260 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 31 22.886 -15.010 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.461 -17.300 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.435 -16.715 2.685 1.00 0.00 H new ATOM 501 N ALA A 32 22.981 -10.035 -3.414 1.00 0.00 N ATOM 502 CA ALA A 32 23.946 -9.012 -3.789 1.00 0.00 C ATOM 503 C ALA A 32 23.225 -7.689 -4.008 1.00 0.00 C ATOM 504 O ALA A 32 23.722 -6.626 -3.638 1.00 0.00 O ATOM 505 CB ALA A 32 24.689 -9.429 -5.062 1.00 0.00 C ATOM 0 H ALA A 32 22.910 -10.816 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 32 24.675 -8.893 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.408 -8.656 -5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.214 -10.368 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.974 -9.560 -5.874 1.00 0.00 H new ATOM 511 N ALA A 33 22.034 -7.759 -4.585 1.00 0.00 N ATOM 512 CA ALA A 33 21.239 -6.560 -4.795 1.00 0.00 C ATOM 513 C ALA A 33 20.580 -6.177 -3.476 1.00 0.00 C ATOM 514 O ALA A 33 20.420 -4.999 -3.154 1.00 0.00 O ATOM 515 CB ALA A 33 20.152 -6.812 -5.842 1.00 0.00 C ATOM 0 H ALA A 33 21.602 -8.623 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 33 21.887 -5.758 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.567 -5.903 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.616 -7.098 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.498 -7.614 -5.501 1.00 0.00 H new ATOM 521 N GLY A 34 20.183 -7.207 -2.734 1.00 0.00 N ATOM 522 CA GLY A 34 19.513 -7.023 -1.459 1.00 0.00 C ATOM 523 C GLY A 34 20.416 -6.325 -0.444 1.00 0.00 C ATOM 524 O GLY A 34 20.012 -5.367 0.213 1.00 0.00 O ATOM 0 H GLY A 34 20.317 -8.183 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.607 -6.435 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.205 -7.992 -1.066 1.00 0.00 H new ATOM 528 N ARG A 35 21.639 -6.824 -0.330 1.00 0.00 N ATOM 529 CA ARG A 35 22.618 -6.272 0.593 1.00 0.00 C ATOM 530 C ARG A 35 23.091 -4.900 0.142 1.00 0.00 C ATOM 531 O ARG A 35 23.331 -4.005 0.949 1.00 0.00 O ATOM 532 CB ARG A 35 23.791 -7.229 0.710 1.00 0.00 C ATOM 533 CG ARG A 35 24.568 -7.321 -0.604 1.00 0.00 C ATOM 534 CD ARG A 35 25.773 -6.385 -0.542 1.00 0.00 C ATOM 535 NE ARG A 35 26.529 -6.447 -1.788 1.00 0.00 N ATOM 536 CZ ARG A 35 27.583 -5.666 -1.997 1.00 0.00 C ATOM 537 NH1 ARG A 35 27.965 -4.824 -1.076 1.00 0.00 N ATOM 538 NH2 ARG A 35 28.237 -5.744 -3.123 1.00 0.00 N ATOM 0 H ARG A 35 21.978 -7.619 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 35 22.149 -6.150 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 35 24.457 -6.895 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 35 23.429 -8.218 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 35 24.897 -8.346 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 35 23.924 -7.049 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 35 25.439 -5.363 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 35 26.415 -6.662 0.294 1.00 0.00 H new ATOM 0 HE ARG A 35 26.242 -7.104 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 35 27.454 -4.765 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 35 28.774 -4.225 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.939 -6.404 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 35 29.047 -5.145 -3.285 1.00 0.00 H new ATOM 552 N THR A 36 23.239 -4.757 -1.155 1.00 0.00 N ATOM 553 CA THR A 36 23.694 -3.509 -1.744 1.00 0.00 C ATOM 554 C THR A 36 22.693 -2.393 -1.445 1.00 0.00 C ATOM 555 O THR A 36 23.074 -1.270 -1.135 1.00 0.00 O ATOM 556 CB THR A 36 23.858 -3.721 -3.254 1.00 0.00 C ATOM 557 OG1 THR A 36 25.092 -4.379 -3.507 1.00 0.00 O ATOM 558 CG2 THR A 36 23.812 -2.387 -4.007 1.00 0.00 C ATOM 0 H THR A 36 23.050 -5.496 -1.832 1.00 0.00 H new ATOM 0 HA THR A 36 24.652 -3.212 -1.317 1.00 0.00 H new ATOM 0 HB THR A 36 23.032 -4.337 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 36 24.920 -5.306 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 36 23.931 -2.568 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 36 22.854 -1.900 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 36 24.619 -1.743 -3.656 1.00 0.00 H new ATOM 566 N LEU A 37 21.419 -2.706 -1.551 1.00 0.00 N ATOM 567 CA LEU A 37 20.383 -1.724 -1.286 1.00 0.00 C ATOM 568 C LEU A 37 20.327 -1.366 0.193 1.00 0.00 C ATOM 569 O LEU A 37 20.014 -0.235 0.569 1.00 0.00 O ATOM 570 CB LEU A 37 19.049 -2.265 -1.746 1.00 0.00 C ATOM 571 CG LEU A 37 19.026 -2.306 -3.287 1.00 0.00 C ATOM 572 CD1 LEU A 37 17.932 -3.261 -3.763 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.752 -0.903 -3.866 1.00 0.00 C ATOM 0 H LEU A 37 21.074 -3.628 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 37 20.618 -0.814 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.888 -3.264 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.240 -1.636 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 37 20.000 -2.651 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.920 -3.286 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.130 -4.262 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.964 -2.917 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.740 -0.955 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.787 -0.544 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.536 -0.217 -3.544 1.00 0.00 H new ATOM 585 N LEU A 38 20.628 -2.348 1.017 1.00 0.00 N ATOM 586 CA LEU A 38 20.621 -2.181 2.464 1.00 0.00 C ATOM 587 C LEU A 38 21.576 -1.066 2.869 1.00 0.00 C ATOM 588 O LEU A 38 21.301 -0.307 3.792 1.00 0.00 O ATOM 589 CB LEU A 38 21.012 -3.539 3.115 1.00 0.00 C ATOM 590 CG LEU A 38 21.843 -3.374 4.406 1.00 0.00 C ATOM 591 CD1 LEU A 38 20.952 -2.846 5.537 1.00 0.00 C ATOM 592 CD2 LEU A 38 22.442 -4.733 4.788 1.00 0.00 C ATOM 0 H LEU A 38 20.885 -3.285 0.708 1.00 0.00 H new ATOM 0 HA LEU A 38 19.628 -1.894 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 38 20.106 -4.100 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 38 21.581 -4.129 2.397 1.00 0.00 H new ATOM 0 HG LEU A 38 22.647 -2.658 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 38 21.545 -2.732 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.536 -1.880 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.141 -3.550 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 38 23.031 -4.628 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 38 21.639 -5.450 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 23.082 -5.088 3.981 1.00 0.00 H new ATOM 604 N GLU A 39 22.713 -0.990 2.202 1.00 0.00 N ATOM 605 CA GLU A 39 23.697 0.027 2.533 1.00 0.00 C ATOM 606 C GLU A 39 23.332 1.354 1.882 1.00 0.00 C ATOM 607 O GLU A 39 23.785 2.410 2.323 1.00 0.00 O ATOM 608 CB GLU A 39 25.104 -0.411 2.110 1.00 0.00 C ATOM 609 CG GLU A 39 25.099 -0.800 0.646 1.00 0.00 C ATOM 610 CD GLU A 39 26.528 -0.944 0.132 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.346 -1.484 0.858 1.00 0.00 O ATOM 612 OE2 GLU A 39 26.782 -0.513 -0.981 1.00 0.00 O ATOM 0 H GLU A 39 22.977 -1.611 1.437 1.00 0.00 H new ATOM 0 HA GLU A 39 23.696 0.159 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 39 25.814 0.399 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.432 -1.254 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 39 24.561 -1.739 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.570 -0.045 0.064 1.00 0.00 H new ATOM 619 N PHE A 40 22.522 1.304 0.822 1.00 0.00 N ATOM 620 CA PHE A 40 22.133 2.520 0.133 1.00 0.00 C ATOM 621 C PHE A 40 21.147 3.344 0.956 1.00 0.00 C ATOM 622 O PHE A 40 21.291 4.561 1.076 1.00 0.00 O ATOM 623 CB PHE A 40 21.512 2.140 -1.215 1.00 0.00 C ATOM 624 CG PHE A 40 22.535 2.235 -2.330 1.00 0.00 C ATOM 625 CD1 PHE A 40 23.153 3.461 -2.602 1.00 0.00 C ATOM 626 CD2 PHE A 40 22.862 1.103 -3.087 1.00 0.00 C ATOM 627 CE1 PHE A 40 24.098 3.557 -3.628 1.00 0.00 C ATOM 628 CE2 PHE A 40 23.810 1.199 -4.114 1.00 0.00 C ATOM 629 CZ PHE A 40 24.428 2.426 -4.385 1.00 0.00 C ATOM 0 H PHE A 40 22.132 0.446 0.433 1.00 0.00 H new ATOM 0 HA PHE A 40 23.018 3.137 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.117 1.125 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.671 2.799 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 40 22.900 4.334 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 40 22.384 0.157 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 40 24.574 4.504 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 40 24.064 0.326 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 40 25.158 2.500 -5.177 1.00 0.00 H new ATOM 639 N LYS A 41 20.141 2.681 1.502 1.00 0.00 N ATOM 640 CA LYS A 41 19.134 3.374 2.283 1.00 0.00 C ATOM 641 C LYS A 41 19.753 4.012 3.518 1.00 0.00 C ATOM 642 O LYS A 41 19.346 5.093 3.944 1.00 0.00 O ATOM 643 CB LYS A 41 18.039 2.400 2.690 1.00 0.00 C ATOM 644 CG LYS A 41 18.631 1.241 3.520 1.00 0.00 C ATOM 645 CD LYS A 41 18.132 1.336 4.971 1.00 0.00 C ATOM 646 CE LYS A 41 18.797 0.260 5.819 1.00 0.00 C ATOM 647 NZ LYS A 41 18.121 -1.046 5.584 1.00 0.00 N ATOM 0 H LYS A 41 20.002 1.674 1.420 1.00 0.00 H new ATOM 0 HA LYS A 41 18.702 4.166 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.278 2.921 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.546 2.005 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.339 0.284 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.720 1.283 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.356 2.322 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.049 1.217 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.855 0.185 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.740 0.527 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.564 -1.778 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.114 -0.965 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.213 -1.309 4.582 1.00 0.00 H new ATOM 661 N SER A 42 20.743 3.337 4.079 1.00 0.00 N ATOM 662 CA SER A 42 21.427 3.839 5.260 1.00 0.00 C ATOM 663 C SER A 42 22.183 5.116 4.915 1.00 0.00 C ATOM 664 O SER A 42 22.171 6.083 5.677 1.00 0.00 O ATOM 665 CB SER A 42 22.396 2.786 5.777 1.00 0.00 C ATOM 666 OG SER A 42 21.663 1.703 6.337 1.00 0.00 O ATOM 0 H SER A 42 21.091 2.441 3.736 1.00 0.00 H new ATOM 0 HA SER A 42 20.692 4.060 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 42 23.030 2.429 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 42 23.055 3.220 6.529 1.00 0.00 H new ATOM 0 HG SER A 42 22.286 1.023 6.669 1.00 0.00 H new ATOM 672 N ALA A 43 22.825 5.116 3.750 1.00 0.00 N ATOM 673 CA ALA A 43 23.566 6.285 3.296 1.00 0.00 C ATOM 674 C ALA A 43 22.600 7.383 2.867 1.00 0.00 C ATOM 675 O ALA A 43 22.775 8.551 3.206 1.00 0.00 O ATOM 676 CB ALA A 43 24.472 5.910 2.123 1.00 0.00 C ATOM 0 H ALA A 43 22.846 4.324 3.108 1.00 0.00 H new ATOM 0 HA ALA A 43 24.180 6.651 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.021 6.791 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.177 5.141 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.865 5.530 1.301 1.00 0.00 H new ATOM 682 N THR A 44 21.570 6.983 2.128 1.00 0.00 N ATOM 683 CA THR A 44 20.558 7.909 1.650 1.00 0.00 C ATOM 684 C THR A 44 19.800 8.547 2.812 1.00 0.00 C ATOM 685 O THR A 44 19.554 9.751 2.812 1.00 0.00 O ATOM 686 CB THR A 44 19.600 7.146 0.725 1.00 0.00 C ATOM 687 OG1 THR A 44 20.164 7.057 -0.576 1.00 0.00 O ATOM 688 CG2 THR A 44 18.231 7.824 0.667 1.00 0.00 C ATOM 0 H THR A 44 21.417 6.014 1.847 1.00 0.00 H new ATOM 0 HA THR A 44 21.037 8.719 1.099 1.00 0.00 H new ATOM 0 HB THR A 44 19.456 6.143 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.552 6.568 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.574 7.261 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.798 7.855 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.344 8.840 0.289 1.00 0.00 H new ATOM 696 N LYS A 45 19.437 7.735 3.791 1.00 0.00 N ATOM 697 CA LYS A 45 18.706 8.230 4.947 1.00 0.00 C ATOM 698 C LYS A 45 19.491 9.349 5.606 1.00 0.00 C ATOM 699 O LYS A 45 18.930 10.218 6.263 1.00 0.00 O ATOM 700 CB LYS A 45 18.486 7.092 5.947 1.00 0.00 C ATOM 701 CG LYS A 45 17.911 7.644 7.280 1.00 0.00 C ATOM 702 CD LYS A 45 19.011 7.725 8.350 1.00 0.00 C ATOM 703 CE LYS A 45 19.219 6.351 8.995 1.00 0.00 C ATOM 704 NZ LYS A 45 20.257 6.459 10.059 1.00 0.00 N ATOM 0 H LYS A 45 19.635 6.735 3.809 1.00 0.00 H new ATOM 0 HA LYS A 45 17.738 8.613 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.801 6.357 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.429 6.578 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.482 8.633 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.104 7.000 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.942 8.069 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.736 8.455 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.282 5.990 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.528 5.626 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.401 5.528 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.151 6.786 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.944 7.139 10.781 1.00 0.00 H new ATOM 718 N SER A 46 20.798 9.311 5.439 1.00 0.00 N ATOM 719 CA SER A 46 21.656 10.319 6.031 1.00 0.00 C ATOM 720 C SER A 46 21.576 11.636 5.250 1.00 0.00 C ATOM 721 O SER A 46 21.732 12.716 5.818 1.00 0.00 O ATOM 722 CB SER A 46 23.096 9.806 6.054 1.00 0.00 C ATOM 723 OG SER A 46 23.805 10.436 7.113 1.00 0.00 O ATOM 0 H SER A 46 21.288 8.596 4.901 1.00 0.00 H new ATOM 0 HA SER A 46 21.320 10.513 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.106 8.724 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.583 10.014 5.101 1.00 0.00 H new ATOM 0 HG SER A 46 24.728 10.107 7.130 1.00 0.00 H new