USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 148 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 16.540 2.438 -13.649 1.00 0.00 N ATOM 15 CA VAL A 3 17.721 2.451 -12.735 1.00 0.00 C ATOM 16 C VAL A 3 17.517 3.514 -11.656 1.00 0.00 C ATOM 17 O VAL A 3 17.950 3.357 -10.530 1.00 0.00 O ATOM 18 CB VAL A 3 18.986 2.774 -13.533 1.00 0.00 C ATOM 19 CG1 VAL A 3 20.212 2.618 -12.631 1.00 0.00 C ATOM 20 CG2 VAL A 3 19.104 1.811 -14.717 1.00 0.00 C ATOM 0 HA VAL A 3 17.827 1.472 -12.269 1.00 0.00 H new ATOM 0 HB VAL A 3 18.930 3.799 -13.900 1.00 0.00 H new ATOM 0 HG11 VAL A 3 21.113 2.848 -13.199 1.00 0.00 H new ATOM 0 HG12 VAL A 3 20.131 3.302 -11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 3 20.266 1.593 -12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.005 2.042 -15.285 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.159 0.787 -14.349 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.232 1.918 -15.362 1.00 0.00 H new ATOM 30 N SER A 4 16.855 4.593 -11.992 1.00 0.00 N ATOM 31 CA SER A 4 16.611 5.673 -10.989 1.00 0.00 C ATOM 32 C SER A 4 15.746 5.121 -9.854 1.00 0.00 C ATOM 33 O SER A 4 16.048 5.297 -8.689 1.00 0.00 O ATOM 34 CB SER A 4 15.885 6.841 -11.661 1.00 0.00 C ATOM 35 OG SER A 4 16.840 7.807 -12.081 1.00 0.00 O ATOM 0 H SER A 4 16.472 4.772 -12.920 1.00 0.00 H new ATOM 0 HA SER A 4 17.563 6.021 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.311 6.484 -12.516 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.176 7.292 -10.967 1.00 0.00 H new ATOM 0 HG SER A 4 16.379 8.556 -12.513 1.00 0.00 H new ATOM 41 N GLU A 5 14.675 4.447 -10.193 1.00 0.00 N ATOM 42 CA GLU A 5 13.783 3.872 -9.145 1.00 0.00 C ATOM 43 C GLU A 5 14.493 2.707 -8.443 1.00 0.00 C ATOM 44 O GLU A 5 14.167 2.362 -7.324 1.00 0.00 O ATOM 45 CB GLU A 5 12.496 3.362 -9.799 1.00 0.00 C ATOM 46 CG GLU A 5 11.626 4.549 -10.214 1.00 0.00 C ATOM 47 CD GLU A 5 10.819 5.037 -9.011 1.00 0.00 C ATOM 48 OE1 GLU A 5 9.808 4.422 -8.713 1.00 0.00 O ATOM 49 OE2 GLU A 5 11.227 6.014 -8.406 1.00 0.00 O ATOM 0 H GLU A 5 14.381 4.271 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 5 13.543 4.642 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.736 2.752 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.951 2.724 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.252 5.355 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.954 4.256 -11.021 1.00 0.00 H new ATOM 56 N LEU A 6 15.457 2.099 -9.093 1.00 0.00 N ATOM 57 CA LEU A 6 16.185 0.955 -8.466 1.00 0.00 C ATOM 58 C LEU A 6 17.085 1.475 -7.343 1.00 0.00 C ATOM 59 O LEU A 6 17.325 0.794 -6.363 1.00 0.00 O ATOM 60 CB LEU A 6 17.042 0.257 -9.530 1.00 0.00 C ATOM 61 CG LEU A 6 16.922 -1.260 -9.377 1.00 0.00 C ATOM 62 CD1 LEU A 6 15.495 -1.693 -9.714 1.00 0.00 C ATOM 63 CD2 LEU A 6 17.900 -1.946 -10.333 1.00 0.00 C ATOM 0 H LEU A 6 15.770 2.347 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 6 15.467 0.247 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.718 0.558 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.084 0.561 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 6 17.156 -1.543 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.408 -2.774 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.796 -1.203 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.262 -1.411 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.816 -3.027 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.664 -1.664 -11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.918 -1.636 -10.097 1.00 0.00 H new ATOM 75 N LEU A 7 17.588 2.673 -7.484 1.00 0.00 N ATOM 76 CA LEU A 7 18.481 3.248 -6.434 1.00 0.00 C ATOM 77 C LEU A 7 17.644 3.693 -5.232 1.00 0.00 C ATOM 78 O LEU A 7 17.930 3.342 -4.103 1.00 0.00 O ATOM 79 CB LEU A 7 19.229 4.453 -7.012 1.00 0.00 C ATOM 80 CG LEU A 7 20.597 4.578 -6.343 1.00 0.00 C ATOM 81 CD1 LEU A 7 21.596 3.654 -7.043 1.00 0.00 C ATOM 82 CD2 LEU A 7 21.084 6.025 -6.451 1.00 0.00 C ATOM 0 H LEU A 7 17.418 3.281 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 7 19.197 2.492 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.349 4.336 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.651 5.363 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 7 20.515 4.296 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 7 22.571 3.744 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.250 2.623 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.679 3.936 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.060 6.117 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.165 6.304 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.374 6.686 -5.954 1.00 0.00 H new ATOM 94 N ILE A 8 16.613 4.463 -5.469 1.00 0.00 N ATOM 95 CA ILE A 8 15.747 4.941 -4.348 1.00 0.00 C ATOM 96 C ILE A 8 15.125 3.736 -3.626 1.00 0.00 C ATOM 97 O ILE A 8 14.890 3.772 -2.433 1.00 0.00 O ATOM 98 CB ILE A 8 14.645 5.849 -4.917 1.00 0.00 C ATOM 99 CG1 ILE A 8 13.755 6.363 -3.780 1.00 0.00 C ATOM 100 CG2 ILE A 8 13.790 5.067 -5.920 1.00 0.00 C ATOM 101 CD1 ILE A 8 13.236 7.759 -4.128 1.00 0.00 C ATOM 0 H ILE A 8 16.332 4.783 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 8 16.344 5.506 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 8 15.111 6.695 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.919 5.682 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 8 14.320 6.395 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.011 5.717 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.420 4.712 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.330 4.215 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.603 8.124 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.079 8.437 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.656 7.712 -5.050 1.00 0.00 H new ATOM 113 N SER A 9 14.860 2.678 -4.346 1.00 0.00 N ATOM 114 CA SER A 9 14.254 1.467 -3.717 1.00 0.00 C ATOM 115 C SER A 9 15.277 0.806 -2.791 1.00 0.00 C ATOM 116 O SER A 9 14.929 0.254 -1.765 1.00 0.00 O ATOM 117 CB SER A 9 13.841 0.477 -4.806 1.00 0.00 C ATOM 118 OG SER A 9 12.812 -0.368 -4.306 1.00 0.00 O ATOM 0 H SER A 9 15.038 2.600 -5.347 1.00 0.00 H new ATOM 0 HA SER A 9 13.377 1.760 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.491 1.014 -5.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.699 -0.120 -5.116 1.00 0.00 H new ATOM 0 HG SER A 9 12.543 -1.003 -5.002 1.00 0.00 H new ATOM 124 N THR A 10 16.535 0.855 -3.151 1.00 0.00 N ATOM 125 CA THR A 10 17.587 0.227 -2.299 1.00 0.00 C ATOM 126 C THR A 10 17.816 1.081 -1.048 1.00 0.00 C ATOM 127 O THR A 10 18.181 0.576 -0.003 1.00 0.00 O ATOM 128 CB THR A 10 18.892 0.124 -3.093 1.00 0.00 C ATOM 129 OG1 THR A 10 18.634 -0.493 -4.346 1.00 0.00 O ATOM 130 CG2 THR A 10 19.904 -0.712 -2.308 1.00 0.00 C ATOM 0 H THR A 10 16.878 1.304 -4.000 1.00 0.00 H new ATOM 0 HA THR A 10 17.262 -0.770 -2.000 1.00 0.00 H new ATOM 0 HB THR A 10 19.299 1.122 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.197 0.150 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 10 20.833 -0.785 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.101 -0.237 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.500 -1.711 -2.143 1.00 0.00 H new ATOM 138 N ALA A 11 17.606 2.369 -1.149 1.00 0.00 N ATOM 139 CA ALA A 11 17.811 3.263 0.031 1.00 0.00 C ATOM 140 C ALA A 11 16.727 2.991 1.077 1.00 0.00 C ATOM 141 O ALA A 11 17.015 2.767 2.239 1.00 0.00 O ATOM 142 CB ALA A 11 17.729 4.724 -0.414 1.00 0.00 C ATOM 0 H ALA A 11 17.301 2.841 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 11 18.792 3.067 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.879 5.376 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.501 4.922 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.749 4.917 -0.849 1.00 0.00 H new ATOM 148 N VAL A 12 15.483 3.016 0.673 1.00 0.00 N ATOM 149 CA VAL A 12 14.369 2.767 1.635 1.00 0.00 C ATOM 150 C VAL A 12 14.468 1.337 2.173 1.00 0.00 C ATOM 151 O VAL A 12 14.094 1.063 3.298 1.00 0.00 O ATOM 152 CB VAL A 12 13.026 2.955 0.922 1.00 0.00 C ATOM 153 CG1 VAL A 12 11.882 2.820 1.930 1.00 0.00 C ATOM 154 CG2 VAL A 12 12.970 4.345 0.282 1.00 0.00 C ATOM 0 H VAL A 12 15.190 3.199 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 12 14.441 3.471 2.464 1.00 0.00 H new ATOM 0 HB VAL A 12 12.925 2.193 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.929 2.954 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.913 1.830 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.988 3.579 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.013 4.474 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.078 5.106 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.779 4.445 -0.441 1.00 0.00 H new ATOM 164 N GLN A 13 14.964 0.425 1.376 1.00 0.00 N ATOM 165 CA GLN A 13 15.083 -0.992 1.832 1.00 0.00 C ATOM 166 C GLN A 13 16.137 -1.093 2.938 1.00 0.00 C ATOM 167 O GLN A 13 16.010 -1.885 3.853 1.00 0.00 O ATOM 168 CB GLN A 13 15.489 -1.881 0.652 1.00 0.00 C ATOM 169 CG GLN A 13 14.863 -3.271 0.816 1.00 0.00 C ATOM 170 CD GLN A 13 14.327 -3.761 -0.530 1.00 0.00 C ATOM 171 OE1 GLN A 13 15.089 -4.056 -1.431 1.00 0.00 O ATOM 172 NE2 GLN A 13 13.039 -3.862 -0.709 1.00 0.00 N ATOM 0 H GLN A 13 15.292 0.602 0.427 1.00 0.00 H new ATOM 0 HA GLN A 13 14.121 -1.325 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.160 -1.431 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.575 -1.964 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.606 -3.971 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.055 -3.232 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.398 -3.615 0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.672 -4.188 -1.603 1.00 0.00 H new ATOM 181 N GLY A 14 17.174 -0.299 2.860 1.00 0.00 N ATOM 182 CA GLY A 14 18.239 -0.345 3.906 1.00 0.00 C ATOM 183 C GLY A 14 17.669 0.155 5.235 1.00 0.00 C ATOM 184 O GLY A 14 18.040 -0.314 6.296 1.00 0.00 O ATOM 0 H GLY A 14 17.329 0.381 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.611 -1.364 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 14 19.086 0.272 3.606 1.00 0.00 H new ATOM 188 N ILE A 15 16.769 1.102 5.180 1.00 0.00 N ATOM 189 CA ILE A 15 16.166 1.643 6.433 1.00 0.00 C ATOM 190 C ILE A 15 15.333 0.551 7.109 1.00 0.00 C ATOM 191 O ILE A 15 15.431 0.335 8.301 1.00 0.00 O ATOM 192 CB ILE A 15 15.267 2.838 6.092 1.00 0.00 C ATOM 193 CG1 ILE A 15 16.067 3.884 5.295 1.00 0.00 C ATOM 194 CG2 ILE A 15 14.729 3.469 7.382 1.00 0.00 C ATOM 195 CD1 ILE A 15 17.276 4.368 6.108 1.00 0.00 C ATOM 0 H ILE A 15 16.425 1.525 4.318 1.00 0.00 H new ATOM 0 HA ILE A 15 16.957 1.966 7.109 1.00 0.00 H new ATOM 0 HB ILE A 15 14.429 2.492 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.404 3.452 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.426 4.730 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.091 4.317 7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.150 2.729 7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.563 3.810 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.831 5.107 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.932 4.819 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 15 17.925 3.522 6.333 1.00 0.00 H new ATOM 207 N LEU A 16 14.516 -0.137 6.351 1.00 0.00 N ATOM 208 CA LEU A 16 13.671 -1.219 6.935 1.00 0.00 C ATOM 209 C LEU A 16 14.567 -2.308 7.536 1.00 0.00 C ATOM 210 O LEU A 16 14.179 -3.000 8.459 1.00 0.00 O ATOM 211 CB LEU A 16 12.793 -1.822 5.832 1.00 0.00 C ATOM 212 CG LEU A 16 11.393 -1.186 5.847 1.00 0.00 C ATOM 213 CD1 LEU A 16 10.706 -1.472 7.186 1.00 0.00 C ATOM 214 CD2 LEU A 16 11.495 0.331 5.638 1.00 0.00 C ATOM 0 H LEU A 16 14.399 0.006 5.348 1.00 0.00 H new ATOM 0 HA LEU A 16 13.039 -0.805 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.260 -1.663 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.710 -2.900 5.974 1.00 0.00 H new ATOM 0 HG LEU A 16 10.805 -1.618 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.715 -1.019 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.613 -2.549 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.301 -1.052 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.497 0.768 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.093 0.769 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.968 0.535 4.677 1.00 0.00 H new ATOM 226 N PHE A 17 15.761 -2.463 7.020 1.00 0.00 N ATOM 227 CA PHE A 17 16.685 -3.503 7.557 1.00 0.00 C ATOM 228 C PHE A 17 17.105 -3.130 8.980 1.00 0.00 C ATOM 229 O PHE A 17 17.230 -3.980 9.841 1.00 0.00 O ATOM 230 CB PHE A 17 17.927 -3.590 6.667 1.00 0.00 C ATOM 231 CG PHE A 17 18.711 -4.830 7.022 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.488 -4.855 8.185 1.00 0.00 C ATOM 233 CD2 PHE A 17 18.660 -5.953 6.188 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.214 -6.005 8.516 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.386 -7.104 6.518 1.00 0.00 C ATOM 236 CZ PHE A 17 20.164 -7.129 7.683 1.00 0.00 C ATOM 0 H PHE A 17 16.135 -1.911 6.248 1.00 0.00 H new ATOM 0 HA PHE A 17 16.177 -4.467 7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.635 -3.619 5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.547 -2.703 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.528 -3.987 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.061 -5.932 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.813 -6.025 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.346 -7.971 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.725 -8.016 7.938 1.00 0.00 H new ATOM 246 N ALA A 18 17.327 -1.864 9.230 1.00 0.00 N ATOM 247 CA ALA A 18 17.744 -1.426 10.596 1.00 0.00 C ATOM 248 C ALA A 18 16.541 -1.474 11.542 1.00 0.00 C ATOM 249 O ALA A 18 16.688 -1.683 12.732 1.00 0.00 O ATOM 250 CB ALA A 18 18.280 0.004 10.531 1.00 0.00 C ATOM 0 H ALA A 18 17.237 -1.114 8.545 1.00 0.00 H new ATOM 0 HA ALA A 18 18.523 -2.093 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.584 0.324 11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.138 0.041 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.500 0.668 10.159 1.00 0.00 H new ATOM 256 N LEU A 19 15.355 -1.279 11.024 1.00 0.00 N ATOM 257 CA LEU A 19 14.139 -1.306 11.890 1.00 0.00 C ATOM 258 C LEU A 19 13.926 -2.722 12.432 1.00 0.00 C ATOM 259 O LEU A 19 13.668 -2.911 13.606 1.00 0.00 O ATOM 260 CB LEU A 19 12.913 -0.875 11.070 1.00 0.00 C ATOM 261 CG LEU A 19 12.015 0.058 11.898 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.546 -0.656 13.172 1.00 0.00 C ATOM 263 CD2 LEU A 19 12.793 1.322 12.280 1.00 0.00 C ATOM 0 H LEU A 19 15.177 -1.102 10.035 1.00 0.00 H new ATOM 0 HA LEU A 19 14.274 -0.618 12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.236 -0.367 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.348 -1.754 10.760 1.00 0.00 H new ATOM 0 HG LEU A 19 11.146 0.332 11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.910 0.014 13.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.982 -1.549 12.902 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.412 -0.941 13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.152 1.980 12.867 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.667 1.047 12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.113 1.839 11.376 1.00 0.00 H new ATOM 275 N LEU A 20 14.030 -3.715 11.585 1.00 0.00 N ATOM 276 CA LEU A 20 13.833 -5.121 12.046 1.00 0.00 C ATOM 277 C LEU A 20 14.935 -5.490 13.043 1.00 0.00 C ATOM 278 O LEU A 20 14.723 -6.272 13.951 1.00 0.00 O ATOM 279 CB LEU A 20 13.893 -6.068 10.844 1.00 0.00 C ATOM 280 CG LEU A 20 12.484 -6.266 10.277 1.00 0.00 C ATOM 281 CD1 LEU A 20 12.562 -6.423 8.758 1.00 0.00 C ATOM 282 CD2 LEU A 20 11.861 -7.523 10.889 1.00 0.00 C ATOM 0 H LEU A 20 14.243 -3.611 10.593 1.00 0.00 H new ATOM 0 HA LEU A 20 12.860 -5.211 12.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.550 -5.658 10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.313 -7.028 11.145 1.00 0.00 H new ATOM 0 HG LEU A 20 11.869 -5.400 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.559 -6.564 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.006 -5.528 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.177 -7.289 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.858 -7.665 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.476 -8.389 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.805 -7.411 11.972 1.00 0.00 H new