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 94:sc= 1.18 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 18.410 2.546 -13.067 1.00 0.00 N ATOM 15 CA VAL A 3 19.165 2.728 -11.792 1.00 0.00 C ATOM 16 C VAL A 3 18.386 3.662 -10.858 1.00 0.00 C ATOM 17 O VAL A 3 18.543 3.613 -9.654 1.00 0.00 O ATOM 18 CB VAL A 3 20.536 3.335 -12.094 1.00 0.00 C ATOM 19 CG1 VAL A 3 21.362 3.411 -10.808 1.00 0.00 C ATOM 20 CG2 VAL A 3 21.266 2.459 -13.114 1.00 0.00 C ATOM 0 HA VAL A 3 19.293 1.760 -11.308 1.00 0.00 H new ATOM 0 HB VAL A 3 20.405 4.338 -12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.338 3.844 -11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 3 20.844 4.034 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.493 2.409 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 3 22.243 2.890 -13.330 1.00 0.00 H new ATOM 0 HG22 VAL A 3 21.394 1.456 -12.707 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.681 2.406 -14.032 1.00 0.00 H new ATOM 30 N SER A 4 17.552 4.514 -11.404 1.00 0.00 N ATOM 31 CA SER A 4 16.766 5.453 -10.549 1.00 0.00 C ATOM 32 C SER A 4 15.700 4.674 -9.774 1.00 0.00 C ATOM 33 O SER A 4 15.454 4.934 -8.611 1.00 0.00 O ATOM 34 CB SER A 4 16.087 6.499 -11.433 1.00 0.00 C ATOM 35 OG SER A 4 15.411 7.442 -10.612 1.00 0.00 O ATOM 0 H SER A 4 17.383 4.598 -12.406 1.00 0.00 H new ATOM 0 HA SER A 4 17.436 5.948 -9.846 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.828 7.004 -12.052 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.381 6.017 -12.110 1.00 0.00 H new ATOM 0 HG SER A 4 14.976 8.115 -11.176 1.00 0.00 H new ATOM 41 N GLU A 5 15.066 3.724 -10.412 1.00 0.00 N ATOM 42 CA GLU A 5 14.009 2.925 -9.722 1.00 0.00 C ATOM 43 C GLU A 5 14.647 2.047 -8.642 1.00 0.00 C ATOM 44 O GLU A 5 14.130 1.924 -7.548 1.00 0.00 O ATOM 45 CB GLU A 5 13.296 2.035 -10.743 1.00 0.00 C ATOM 46 CG GLU A 5 12.504 2.908 -11.719 1.00 0.00 C ATOM 47 CD GLU A 5 12.153 2.089 -12.963 1.00 0.00 C ATOM 48 OE1 GLU A 5 11.235 1.289 -12.881 1.00 0.00 O ATOM 49 OE2 GLU A 5 12.806 2.277 -13.976 1.00 0.00 O ATOM 0 H GLU A 5 15.235 3.466 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 5 13.290 3.602 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.024 1.432 -11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.626 1.343 -10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.595 3.273 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.090 3.783 -12.000 1.00 0.00 H new ATOM 56 N LEU A 6 15.763 1.435 -8.946 1.00 0.00 N ATOM 57 CA LEU A 6 16.440 0.557 -7.944 1.00 0.00 C ATOM 58 C LEU A 6 17.055 1.412 -6.829 1.00 0.00 C ATOM 59 O LEU A 6 17.267 0.942 -5.727 1.00 0.00 O ATOM 60 CB LEU A 6 17.545 -0.252 -8.641 1.00 0.00 C ATOM 61 CG LEU A 6 17.053 -1.675 -8.954 1.00 0.00 C ATOM 62 CD1 LEU A 6 16.689 -2.400 -7.654 1.00 0.00 C ATOM 63 CD2 LEU A 6 15.822 -1.613 -9.865 1.00 0.00 C ATOM 0 H LEU A 6 16.236 1.506 -9.847 1.00 0.00 H new ATOM 0 HA LEU A 6 15.707 -0.122 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.843 0.247 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.428 -0.298 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 6 17.850 -2.220 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.341 -3.407 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.567 -2.457 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.899 -1.852 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.479 -2.625 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.027 -1.060 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.083 -1.110 -10.796 1.00 0.00 H new ATOM 75 N LEU A 7 17.343 2.661 -7.106 1.00 0.00 N ATOM 76 CA LEU A 7 17.947 3.543 -6.064 1.00 0.00 C ATOM 77 C LEU A 7 16.913 3.836 -4.976 1.00 0.00 C ATOM 78 O LEU A 7 17.131 3.558 -3.813 1.00 0.00 O ATOM 79 CB LEU A 7 18.396 4.857 -6.709 1.00 0.00 C ATOM 80 CG LEU A 7 19.183 5.690 -5.690 1.00 0.00 C ATOM 81 CD1 LEU A 7 20.346 6.394 -6.392 1.00 0.00 C ATOM 82 CD2 LEU A 7 18.261 6.741 -5.063 1.00 0.00 C ATOM 0 H LEU A 7 17.185 3.106 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 7 18.807 3.042 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.016 4.652 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.529 5.417 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 7 19.570 5.033 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.904 6.986 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.006 5.650 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.957 7.049 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.822 7.332 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.873 7.396 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.431 6.244 -4.560 1.00 0.00 H new ATOM 94 N ILE A 8 15.792 4.402 -5.347 1.00 0.00 N ATOM 95 CA ILE A 8 14.738 4.724 -4.339 1.00 0.00 C ATOM 96 C ILE A 8 14.241 3.433 -3.682 1.00 0.00 C ATOM 97 O ILE A 8 13.849 3.425 -2.529 1.00 0.00 O ATOM 98 CB ILE A 8 13.571 5.435 -5.029 1.00 0.00 C ATOM 99 CG1 ILE A 8 13.030 4.560 -6.167 1.00 0.00 C ATOM 100 CG2 ILE A 8 14.057 6.768 -5.602 1.00 0.00 C ATOM 101 CD1 ILE A 8 11.817 3.769 -5.672 1.00 0.00 C ATOM 0 H ILE A 8 15.561 4.655 -6.308 1.00 0.00 H new ATOM 0 HA ILE A 8 15.157 5.377 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 8 12.778 5.614 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.749 5.183 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.805 3.877 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.228 7.276 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.439 7.393 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.851 6.585 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.433 3.148 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.113 3.135 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.040 4.461 -5.346 1.00 0.00 H new ATOM 113 N SER A 9 14.252 2.345 -4.409 1.00 0.00 N ATOM 114 CA SER A 9 13.778 1.050 -3.837 1.00 0.00 C ATOM 115 C SER A 9 14.706 0.624 -2.697 1.00 0.00 C ATOM 116 O SER A 9 14.260 0.141 -1.673 1.00 0.00 O ATOM 117 CB SER A 9 13.787 -0.022 -4.928 1.00 0.00 C ATOM 118 OG SER A 9 13.549 -1.293 -4.339 1.00 0.00 O ATOM 0 H SER A 9 14.570 2.298 -5.377 1.00 0.00 H new ATOM 0 HA SER A 9 12.765 1.172 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.022 0.195 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.746 -0.022 -5.446 1.00 0.00 H new ATOM 0 HG SER A 9 13.553 -1.982 -5.036 1.00 0.00 H new ATOM 124 N THR A 10 15.990 0.798 -2.872 1.00 0.00 N ATOM 125 CA THR A 10 16.958 0.404 -1.806 1.00 0.00 C ATOM 126 C THR A 10 17.018 1.481 -0.715 1.00 0.00 C ATOM 127 O THR A 10 17.477 1.228 0.383 1.00 0.00 O ATOM 128 CB THR A 10 18.348 0.228 -2.420 1.00 0.00 C ATOM 129 OG1 THR A 10 18.230 -0.439 -3.668 1.00 0.00 O ATOM 130 CG2 THR A 10 19.224 -0.598 -1.478 1.00 0.00 C ATOM 0 H THR A 10 16.411 1.198 -3.711 1.00 0.00 H new ATOM 0 HA THR A 10 16.628 -0.534 -1.360 1.00 0.00 H new ATOM 0 HB THR A 10 18.805 1.206 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.177 0.223 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 10 20.214 -0.722 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 10 19.314 -0.085 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.770 -1.577 -1.324 1.00 0.00 H new ATOM 138 N ALA A 11 16.566 2.680 -1.005 1.00 0.00 N ATOM 139 CA ALA A 11 16.607 3.766 0.019 1.00 0.00 C ATOM 140 C ALA A 11 15.520 3.523 1.070 1.00 0.00 C ATOM 141 O ALA A 11 15.805 3.352 2.240 1.00 0.00 O ATOM 142 CB ALA A 11 16.366 5.116 -0.660 1.00 0.00 C ATOM 0 H ALA A 11 16.172 2.950 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 11 17.584 3.770 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.396 5.909 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.141 5.291 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.390 5.110 -1.145 1.00 0.00 H new ATOM 148 N VAL A 12 14.277 3.513 0.661 1.00 0.00 N ATOM 149 CA VAL A 12 13.162 3.289 1.630 1.00 0.00 C ATOM 150 C VAL A 12 13.300 1.904 2.270 1.00 0.00 C ATOM 151 O VAL A 12 13.152 1.750 3.468 1.00 0.00 O ATOM 152 CB VAL A 12 11.822 3.376 0.897 1.00 0.00 C ATOM 153 CG1 VAL A 12 10.678 3.313 1.910 1.00 0.00 C ATOM 154 CG2 VAL A 12 11.745 4.696 0.125 1.00 0.00 C ATOM 0 H VAL A 12 13.985 3.651 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 12 13.205 4.052 2.407 1.00 0.00 H new ATOM 0 HB VAL A 12 11.737 2.541 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.724 3.375 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.730 2.373 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.764 4.146 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.790 4.757 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.832 5.530 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.558 4.742 -0.600 1.00 0.00 H new ATOM 164 N GLN A 13 13.574 0.899 1.478 1.00 0.00 N ATOM 165 CA GLN A 13 13.716 -0.481 2.031 1.00 0.00 C ATOM 166 C GLN A 13 14.976 -0.571 2.897 1.00 0.00 C ATOM 167 O GLN A 13 15.057 -1.383 3.800 1.00 0.00 O ATOM 168 CB GLN A 13 13.816 -1.482 0.878 1.00 0.00 C ATOM 169 CG GLN A 13 13.608 -2.903 1.411 1.00 0.00 C ATOM 170 CD GLN A 13 12.801 -3.718 0.399 1.00 0.00 C ATOM 171 OE1 GLN A 13 13.182 -3.829 -0.750 1.00 0.00 O ATOM 172 NE2 GLN A 13 11.695 -4.297 0.778 1.00 0.00 N ATOM 0 H GLN A 13 13.706 0.975 0.469 1.00 0.00 H new ATOM 0 HA GLN A 13 12.845 -0.713 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.067 -1.254 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.791 -1.402 0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.572 -3.379 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.085 -2.871 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.375 -4.204 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.150 -4.843 0.110 1.00 0.00 H new ATOM 181 N GLY A 14 15.958 0.251 2.628 1.00 0.00 N ATOM 182 CA GLY A 14 17.215 0.213 3.431 1.00 0.00 C ATOM 183 C GLY A 14 16.925 0.676 4.860 1.00 0.00 C ATOM 184 O GLY A 14 17.496 0.174 5.811 1.00 0.00 O ATOM 0 H GLY A 14 15.942 0.949 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.622 -0.798 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.969 0.855 2.976 1.00 0.00 H new ATOM 188 N ILE A 15 16.044 1.631 5.016 1.00 0.00 N ATOM 189 CA ILE A 15 15.712 2.134 6.382 1.00 0.00 C ATOM 190 C ILE A 15 14.946 1.057 7.153 1.00 0.00 C ATOM 191 O ILE A 15 15.183 0.840 8.327 1.00 0.00 O ATOM 192 CB ILE A 15 14.848 3.394 6.263 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.554 4.429 5.370 1.00 0.00 C ATOM 194 CG2 ILE A 15 14.602 3.989 7.655 1.00 0.00 C ATOM 195 CD1 ILE A 15 16.918 4.808 5.961 1.00 0.00 C ATOM 0 H ILE A 15 15.540 2.085 4.254 1.00 0.00 H new ATOM 0 HA ILE A 15 16.632 2.373 6.916 1.00 0.00 H new ATOM 0 HB ILE A 15 13.891 3.129 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 15 15.686 4.023 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 15 14.933 5.319 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.987 4.885 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.088 3.257 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.556 4.249 8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.403 5.541 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.778 5.235 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 17.543 3.918 6.033 1.00 0.00 H new ATOM 207 N LEU A 16 14.032 0.385 6.501 1.00 0.00 N ATOM 208 CA LEU A 16 13.246 -0.679 7.190 1.00 0.00 C ATOM 209 C LEU A 16 14.180 -1.816 7.611 1.00 0.00 C ATOM 210 O LEU A 16 13.929 -2.505 8.584 1.00 0.00 O ATOM 211 CB LEU A 16 12.177 -1.224 6.233 1.00 0.00 C ATOM 212 CG LEU A 16 10.850 -0.473 6.424 1.00 0.00 C ATOM 213 CD1 LEU A 16 10.336 -0.662 7.858 1.00 0.00 C ATOM 214 CD2 LEU A 16 11.054 1.021 6.139 1.00 0.00 C ATOM 0 H LEU A 16 13.797 0.529 5.519 1.00 0.00 H new ATOM 0 HA LEU A 16 12.765 -0.260 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.516 -1.119 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.028 -2.289 6.413 1.00 0.00 H new ATOM 0 HG LEU A 16 10.113 -0.876 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.395 -0.125 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.176 -1.723 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.071 -0.272 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.111 1.550 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.799 1.424 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.398 1.152 5.113 1.00 0.00 H new ATOM 226 N PHE A 17 15.252 -2.017 6.887 1.00 0.00 N ATOM 227 CA PHE A 17 16.205 -3.111 7.240 1.00 0.00 C ATOM 228 C PHE A 17 17.119 -2.646 8.377 1.00 0.00 C ATOM 229 O PHE A 17 17.583 -3.442 9.171 1.00 0.00 O ATOM 230 CB PHE A 17 17.054 -3.464 6.017 1.00 0.00 C ATOM 231 CG PHE A 17 17.677 -4.825 6.213 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.909 -4.942 6.867 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.023 -5.970 5.742 1.00 0.00 C ATOM 234 CE1 PHE A 17 19.488 -6.204 7.050 1.00 0.00 C ATOM 235 CE2 PHE A 17 17.602 -7.231 5.923 1.00 0.00 C ATOM 236 CZ PHE A 17 18.835 -7.348 6.578 1.00 0.00 C ATOM 0 H PHE A 17 15.508 -1.469 6.065 1.00 0.00 H new ATOM 0 HA PHE A 17 15.645 -3.990 7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 17 16.436 -3.461 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.831 -2.714 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.413 -4.059 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.072 -5.880 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.438 -6.294 7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.098 -8.114 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.281 -8.321 6.719 1.00 0.00 H new ATOM 246 N ALA A 18 17.381 -1.366 8.458 1.00 0.00 N ATOM 247 CA ALA A 18 18.267 -0.845 9.541 1.00 0.00 C ATOM 248 C ALA A 18 17.576 -1.020 10.895 1.00 0.00 C ATOM 249 O ALA A 18 18.153 -1.546 11.830 1.00 0.00 O ATOM 250 CB ALA A 18 18.547 0.640 9.302 1.00 0.00 C ATOM 0 H ALA A 18 17.018 -0.658 7.819 1.00 0.00 H new ATOM 0 HA ALA A 18 19.206 -1.398 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.194 1.020 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.040 0.767 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.607 1.192 9.305 1.00 0.00 H new ATOM 256 N LEU A 19 16.349 -0.580 11.007 1.00 0.00 N ATOM 257 CA LEU A 19 15.613 -0.713 12.299 1.00 0.00 C ATOM 258 C LEU A 19 15.395 -2.195 12.616 1.00 0.00 C ATOM 259 O LEU A 19 15.705 -2.658 13.698 1.00 0.00 O ATOM 260 CB LEU A 19 14.255 -0.004 12.188 1.00 0.00 C ATOM 261 CG LEU A 19 14.334 1.410 12.786 1.00 0.00 C ATOM 262 CD1 LEU A 19 14.694 1.329 14.273 1.00 0.00 C ATOM 263 CD2 LEU A 19 15.397 2.232 12.049 1.00 0.00 C ATOM 0 H LEU A 19 15.824 -0.133 10.256 1.00 0.00 H new ATOM 0 HA LEU A 19 16.197 -0.257 13.098 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.953 0.054 11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.492 -0.583 12.709 1.00 0.00 H new ATOM 0 HG LEU A 19 13.363 1.893 12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.748 2.335 14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.931 0.758 14.802 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.660 0.837 14.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.446 3.232 12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.367 1.746 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 19 15.135 2.303 10.993 1.00 0.00 H new ATOM 275 N LEU A 20 14.855 -2.938 11.681 1.00 0.00 N ATOM 276 CA LEU A 20 14.603 -4.393 11.922 1.00 0.00 C ATOM 277 C LEU A 20 15.840 -5.230 11.554 1.00 0.00 C ATOM 278 O LEU A 20 15.750 -6.434 11.406 1.00 0.00 O ATOM 279 CB LEU A 20 13.422 -4.845 11.060 1.00 0.00 C ATOM 280 CG LEU A 20 12.113 -4.363 11.689 1.00 0.00 C ATOM 281 CD1 LEU A 20 10.998 -4.409 10.644 1.00 0.00 C ATOM 282 CD2 LEU A 20 11.747 -5.274 12.863 1.00 0.00 C ATOM 0 H LEU A 20 14.577 -2.599 10.760 1.00 0.00 H new ATOM 0 HA LEU A 20 14.383 -4.539 12.979 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.521 -4.445 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.417 -5.932 10.973 1.00 0.00 H new ATOM 0 HG LEU A 20 12.236 -3.340 12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.065 -4.066 11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.258 -3.762 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.875 -5.432 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.815 -4.932 13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.624 -6.296 12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.541 -5.244 13.609 1.00 0.00 H new