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 74:sc= 0.804 USER MOD Single : A 13 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 16.419 2.403 -13.585 1.00 0.00 N ATOM 15 CA VAL A 3 17.578 2.420 -12.645 1.00 0.00 C ATOM 16 C VAL A 3 17.368 3.520 -11.596 1.00 0.00 C ATOM 17 O VAL A 3 17.847 3.423 -10.481 1.00 0.00 O ATOM 18 CB VAL A 3 18.868 2.679 -13.440 1.00 0.00 C ATOM 19 CG1 VAL A 3 18.777 4.028 -14.160 1.00 0.00 C ATOM 20 CG2 VAL A 3 20.072 2.688 -12.491 1.00 0.00 C ATOM 0 HA VAL A 3 17.660 1.460 -12.136 1.00 0.00 H new ATOM 0 HB VAL A 3 18.993 1.885 -14.176 1.00 0.00 H new ATOM 0 HG11 VAL A 3 19.695 4.204 -14.721 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.929 4.018 -14.845 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.642 4.823 -13.427 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.983 2.872 -13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.944 3.475 -11.748 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.147 1.723 -11.989 1.00 0.00 H new ATOM 30 N SER A 4 16.656 4.564 -11.946 1.00 0.00 N ATOM 31 CA SER A 4 16.411 5.672 -10.976 1.00 0.00 C ATOM 32 C SER A 4 15.645 5.136 -9.764 1.00 0.00 C ATOM 33 O SER A 4 16.096 5.242 -8.639 1.00 0.00 O ATOM 34 CB SER A 4 15.588 6.770 -11.654 1.00 0.00 C ATOM 35 OG SER A 4 15.121 7.681 -10.669 1.00 0.00 O ATOM 0 H SER A 4 16.234 4.695 -12.865 1.00 0.00 H new ATOM 0 HA SER A 4 17.366 6.082 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.196 7.294 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.746 6.331 -12.189 1.00 0.00 H new ATOM 0 HG SER A 4 14.595 8.387 -11.099 1.00 0.00 H new ATOM 41 N GLU A 5 14.491 4.562 -9.991 1.00 0.00 N ATOM 42 CA GLU A 5 13.687 4.014 -8.861 1.00 0.00 C ATOM 43 C GLU A 5 14.453 2.875 -8.179 1.00 0.00 C ATOM 44 O GLU A 5 14.223 2.575 -7.022 1.00 0.00 O ATOM 45 CB GLU A 5 12.357 3.486 -9.400 1.00 0.00 C ATOM 46 CG GLU A 5 12.622 2.477 -10.521 1.00 0.00 C ATOM 47 CD GLU A 5 11.394 1.584 -10.703 1.00 0.00 C ATOM 48 OE1 GLU A 5 10.856 1.137 -9.703 1.00 0.00 O ATOM 49 OE2 GLU A 5 11.012 1.360 -11.840 1.00 0.00 O ATOM 0 H GLU A 5 14.071 4.450 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 5 13.502 4.803 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.790 3.013 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.752 4.311 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.845 3.000 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.494 1.870 -10.280 1.00 0.00 H new ATOM 56 N LEU A 6 15.358 2.241 -8.882 1.00 0.00 N ATOM 57 CA LEU A 6 16.138 1.123 -8.274 1.00 0.00 C ATOM 58 C LEU A 6 17.091 1.682 -7.214 1.00 0.00 C ATOM 59 O LEU A 6 17.385 1.035 -6.227 1.00 0.00 O ATOM 60 CB LEU A 6 16.946 0.416 -9.367 1.00 0.00 C ATOM 61 CG LEU A 6 17.623 -0.829 -8.786 1.00 0.00 C ATOM 62 CD1 LEU A 6 17.611 -1.951 -9.825 1.00 0.00 C ATOM 63 CD2 LEU A 6 19.071 -0.499 -8.414 1.00 0.00 C ATOM 0 H LEU A 6 15.590 2.451 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 6 15.455 0.413 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.291 0.134 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.697 1.094 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 6 17.082 -1.150 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.093 -2.836 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.581 -2.190 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.150 -1.628 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.552 -1.386 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.611 -0.175 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.083 0.299 -7.672 1.00 0.00 H new ATOM 75 N LEU A 7 17.575 2.881 -7.416 1.00 0.00 N ATOM 76 CA LEU A 7 18.513 3.496 -6.432 1.00 0.00 C ATOM 77 C LEU A 7 17.742 3.914 -5.176 1.00 0.00 C ATOM 78 O LEU A 7 18.139 3.613 -4.066 1.00 0.00 O ATOM 79 CB LEU A 7 19.174 4.729 -7.069 1.00 0.00 C ATOM 80 CG LEU A 7 20.682 4.747 -6.771 1.00 0.00 C ATOM 81 CD1 LEU A 7 20.915 4.807 -5.260 1.00 0.00 C ATOM 82 CD2 LEU A 7 21.342 3.486 -7.341 1.00 0.00 C ATOM 0 H LEU A 7 17.359 3.463 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 7 19.279 2.772 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.011 4.720 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.710 5.637 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 7 21.123 5.627 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.986 4.819 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.459 5.711 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.466 3.933 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.410 3.506 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.896 2.603 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.190 3.451 -8.420 1.00 0.00 H new ATOM 94 N ILE A 8 16.645 4.607 -5.346 1.00 0.00 N ATOM 95 CA ILE A 8 15.842 5.055 -4.170 1.00 0.00 C ATOM 96 C ILE A 8 15.300 3.835 -3.416 1.00 0.00 C ATOM 97 O ILE A 8 15.067 3.888 -2.223 1.00 0.00 O ATOM 98 CB ILE A 8 14.676 5.922 -4.653 1.00 0.00 C ATOM 99 CG1 ILE A 8 15.223 7.097 -5.469 1.00 0.00 C ATOM 100 CG2 ILE A 8 13.897 6.460 -3.449 1.00 0.00 C ATOM 101 CD1 ILE A 8 14.259 7.415 -6.612 1.00 0.00 C ATOM 0 H ILE A 8 16.270 4.883 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 8 16.475 5.636 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 8 14.011 5.320 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.347 7.971 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.207 6.851 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.068 7.076 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.508 5.626 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.559 7.061 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.647 8.251 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.157 6.541 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.284 7.679 -6.203 1.00 0.00 H new ATOM 113 N SER A 9 15.094 2.740 -4.105 1.00 0.00 N ATOM 114 CA SER A 9 14.562 1.516 -3.437 1.00 0.00 C ATOM 115 C SER A 9 15.655 0.883 -2.573 1.00 0.00 C ATOM 116 O SER A 9 15.375 0.260 -1.565 1.00 0.00 O ATOM 117 CB SER A 9 14.111 0.514 -4.500 1.00 0.00 C ATOM 118 OG SER A 9 12.738 0.735 -4.799 1.00 0.00 O ATOM 0 H SER A 9 15.273 2.643 -5.105 1.00 0.00 H new ATOM 0 HA SER A 9 13.716 1.788 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.714 0.625 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.258 -0.505 -4.142 1.00 0.00 H new ATOM 0 HG SER A 9 12.445 0.096 -5.482 1.00 0.00 H new ATOM 124 N THR A 10 16.895 1.035 -2.962 1.00 0.00 N ATOM 125 CA THR A 10 18.012 0.441 -2.169 1.00 0.00 C ATOM 126 C THR A 10 18.176 1.206 -0.853 1.00 0.00 C ATOM 127 O THR A 10 18.377 0.617 0.193 1.00 0.00 O ATOM 128 CB THR A 10 19.309 0.526 -2.974 1.00 0.00 C ATOM 129 OG1 THR A 10 19.088 0.014 -4.281 1.00 0.00 O ATOM 130 CG2 THR A 10 20.398 -0.293 -2.280 1.00 0.00 C ATOM 0 H THR A 10 17.182 1.546 -3.797 1.00 0.00 H new ATOM 0 HA THR A 10 17.785 -0.603 -1.952 1.00 0.00 H new ATOM 0 HB THR A 10 19.628 1.566 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.562 0.658 -4.800 1.00 0.00 H new ATOM 0 HG21 THR A 10 21.322 -0.231 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.567 0.102 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 10 20.082 -1.334 -2.211 1.00 0.00 H new ATOM 138 N ALA A 11 18.097 2.511 -0.899 1.00 0.00 N ATOM 139 CA ALA A 11 18.253 3.323 0.345 1.00 0.00 C ATOM 140 C ALA A 11 17.105 3.014 1.311 1.00 0.00 C ATOM 141 O ALA A 11 17.325 2.718 2.471 1.00 0.00 O ATOM 142 CB ALA A 11 18.231 4.811 -0.013 1.00 0.00 C ATOM 0 H ALA A 11 17.930 3.051 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 11 19.202 3.075 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.345 5.405 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.050 5.033 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.283 5.056 -0.491 1.00 0.00 H new ATOM 148 N VAL A 12 15.886 3.086 0.841 1.00 0.00 N ATOM 149 CA VAL A 12 14.717 2.803 1.728 1.00 0.00 C ATOM 150 C VAL A 12 14.789 1.354 2.231 1.00 0.00 C ATOM 151 O VAL A 12 14.294 1.036 3.297 1.00 0.00 O ATOM 152 CB VAL A 12 13.417 3.032 0.940 1.00 0.00 C ATOM 153 CG1 VAL A 12 13.349 2.075 -0.254 1.00 0.00 C ATOM 154 CG2 VAL A 12 12.210 2.796 1.855 1.00 0.00 C ATOM 0 H VAL A 12 15.649 3.329 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 12 14.735 3.472 2.588 1.00 0.00 H new ATOM 0 HB VAL A 12 13.402 4.059 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.424 2.246 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.201 2.252 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.374 1.045 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.290 2.959 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.231 1.772 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.250 3.489 2.695 1.00 0.00 H new ATOM 164 N GLN A 13 15.400 0.479 1.473 1.00 0.00 N ATOM 165 CA GLN A 13 15.505 -0.947 1.901 1.00 0.00 C ATOM 166 C GLN A 13 16.369 -1.039 3.161 1.00 0.00 C ATOM 167 O GLN A 13 16.127 -1.855 4.030 1.00 0.00 O ATOM 168 CB GLN A 13 16.145 -1.770 0.779 1.00 0.00 C ATOM 169 CG GLN A 13 15.047 -2.396 -0.087 1.00 0.00 C ATOM 170 CD GLN A 13 14.788 -3.833 0.368 1.00 0.00 C ATOM 171 OE1 GLN A 13 14.977 -4.767 -0.387 1.00 0.00 O ATOM 172 NE2 GLN A 13 14.359 -4.052 1.581 1.00 0.00 N ATOM 0 H GLN A 13 15.832 0.692 0.574 1.00 0.00 H new ATOM 0 HA GLN A 13 14.510 -1.337 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.786 -1.135 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.778 -2.550 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.131 -1.810 -0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.346 -2.385 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.200 -3.269 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.183 -5.006 1.895 1.00 0.00 H new ATOM 181 N GLY A 14 17.375 -0.207 3.262 1.00 0.00 N ATOM 182 CA GLY A 14 18.262 -0.238 4.464 1.00 0.00 C ATOM 183 C GLY A 14 17.531 0.376 5.661 1.00 0.00 C ATOM 184 O GLY A 14 17.794 0.032 6.799 1.00 0.00 O ATOM 0 H GLY A 14 17.620 0.493 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.550 -1.265 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 14 19.180 0.314 4.264 1.00 0.00 H new ATOM 188 N ILE A 15 16.618 1.281 5.413 1.00 0.00 N ATOM 189 CA ILE A 15 15.868 1.921 6.532 1.00 0.00 C ATOM 190 C ILE A 15 14.877 0.917 7.132 1.00 0.00 C ATOM 191 O ILE A 15 14.526 1.004 8.294 1.00 0.00 O ATOM 192 CB ILE A 15 15.106 3.138 6.004 1.00 0.00 C ATOM 193 CG1 ILE A 15 16.078 4.076 5.286 1.00 0.00 C ATOM 194 CG2 ILE A 15 14.453 3.882 7.171 1.00 0.00 C ATOM 195 CD1 ILE A 15 15.289 5.101 4.469 1.00 0.00 C ATOM 0 H ILE A 15 16.360 1.604 4.480 1.00 0.00 H new ATOM 0 HA ILE A 15 16.571 2.237 7.303 1.00 0.00 H new ATOM 0 HB ILE A 15 14.335 2.807 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.712 4.585 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.737 3.504 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.911 4.748 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.760 3.216 7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.223 4.212 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.982 5.769 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.673 4.584 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.649 5.681 5.134 1.00 0.00 H new ATOM 207 N LEU A 16 14.424 -0.030 6.349 1.00 0.00 N ATOM 208 CA LEU A 16 13.455 -1.039 6.869 1.00 0.00 C ATOM 209 C LEU A 16 14.198 -2.077 7.716 1.00 0.00 C ATOM 210 O LEU A 16 13.696 -2.540 8.723 1.00 0.00 O ATOM 211 CB LEU A 16 12.765 -1.737 5.694 1.00 0.00 C ATOM 212 CG LEU A 16 11.415 -1.071 5.421 1.00 0.00 C ATOM 213 CD1 LEU A 16 11.623 0.172 4.552 1.00 0.00 C ATOM 214 CD2 LEU A 16 10.502 -2.056 4.689 1.00 0.00 C ATOM 0 H LEU A 16 14.685 -0.147 5.370 1.00 0.00 H new ATOM 0 HA LEU A 16 12.707 -0.539 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.394 -1.683 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.621 -2.794 5.919 1.00 0.00 H new ATOM 0 HG LEU A 16 10.956 -0.780 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.661 0.646 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.275 0.874 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.082 -0.118 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.539 -1.583 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.962 -2.346 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.353 -2.942 5.307 1.00 0.00 H new ATOM 226 N PHE A 17 15.387 -2.445 7.313 1.00 0.00 N ATOM 227 CA PHE A 17 16.167 -3.456 8.087 1.00 0.00 C ATOM 228 C PHE A 17 16.479 -2.908 9.481 1.00 0.00 C ATOM 229 O PHE A 17 16.393 -3.614 10.468 1.00 0.00 O ATOM 230 CB PHE A 17 17.476 -3.761 7.353 1.00 0.00 C ATOM 231 CG PHE A 17 17.827 -5.220 7.526 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.931 -6.210 7.107 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.050 -5.583 8.105 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.257 -7.563 7.266 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.375 -6.935 8.265 1.00 0.00 C ATOM 236 CZ PHE A 17 18.478 -7.925 7.845 1.00 0.00 C ATOM 0 H PHE A 17 15.852 -2.088 6.479 1.00 0.00 H new ATOM 0 HA PHE A 17 15.581 -4.370 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.374 -3.524 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.278 -3.135 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.988 -5.931 6.661 1.00 0.00 H new ATOM 0 HD2 PHE A 17 19.742 -4.819 8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 17 16.566 -8.327 6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.317 -7.215 8.712 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.729 -8.968 7.968 1.00 0.00 H new ATOM 246 N ALA A 18 16.843 -1.653 9.567 1.00 0.00 N ATOM 247 CA ALA A 18 17.167 -1.049 10.894 1.00 0.00 C ATOM 248 C ALA A 18 15.876 -0.776 11.671 1.00 0.00 C ATOM 249 O ALA A 18 15.873 -0.748 12.888 1.00 0.00 O ATOM 250 CB ALA A 18 17.923 0.264 10.683 1.00 0.00 C ATOM 0 H ALA A 18 16.930 -1.020 8.772 1.00 0.00 H new ATOM 0 HA ALA A 18 17.787 -1.742 11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.160 0.707 11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.846 0.069 10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.302 0.954 10.111 1.00 0.00 H new ATOM 256 N LEU A 19 14.781 -0.573 10.980 1.00 0.00 N ATOM 257 CA LEU A 19 13.487 -0.298 11.678 1.00 0.00 C ATOM 258 C LEU A 19 13.120 -1.491 12.568 1.00 0.00 C ATOM 259 O LEU A 19 12.625 -1.324 13.668 1.00 0.00 O ATOM 260 CB LEU A 19 12.382 -0.065 10.631 1.00 0.00 C ATOM 261 CG LEU A 19 11.683 1.281 10.880 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.056 1.295 12.278 1.00 0.00 C ATOM 263 CD2 LEU A 19 12.699 2.422 10.765 1.00 0.00 C ATOM 0 H LEU A 19 14.728 -0.586 9.961 1.00 0.00 H new ATOM 0 HA LEU A 19 13.588 0.592 12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.812 -0.079 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.653 -0.874 10.676 1.00 0.00 H new ATOM 0 HG LEU A 19 10.900 1.416 10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.563 2.252 12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.324 0.491 12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.834 1.151 13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.199 3.374 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.487 2.283 11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.135 2.422 9.766 1.00 0.00 H new ATOM 275 N LEU A 20 13.363 -2.690 12.101 1.00 0.00 N ATOM 276 CA LEU A 20 13.034 -3.897 12.916 1.00 0.00 C ATOM 277 C LEU A 20 13.876 -3.887 14.195 1.00 0.00 C ATOM 278 O LEU A 20 13.357 -4.003 15.289 1.00 0.00 O ATOM 279 CB LEU A 20 13.343 -5.162 12.105 1.00 0.00 C ATOM 280 CG LEU A 20 12.046 -5.733 11.526 1.00 0.00 C ATOM 281 CD1 LEU A 20 12.380 -6.785 10.467 1.00 0.00 C ATOM 282 CD2 LEU A 20 11.230 -6.381 12.648 1.00 0.00 C ATOM 0 H LEU A 20 13.776 -2.884 11.189 1.00 0.00 H new ATOM 0 HA LEU A 20 11.976 -3.886 13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.040 -4.928 11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.827 -5.904 12.740 1.00 0.00 H new ATOM 0 HG LEU A 20 11.466 -4.930 11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.457 -7.192 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.963 -6.325 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.959 -7.588 10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.306 -6.788 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.810 -7.184 13.103 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.992 -5.633 13.404 1.00 0.00 H new