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 Set 1.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 107:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 19.780 2.021 -12.040 1.00 0.00 N ATOM 15 CA VAL A 3 20.095 2.283 -10.604 1.00 0.00 C ATOM 16 C VAL A 3 19.241 3.447 -10.077 1.00 0.00 C ATOM 17 O VAL A 3 19.130 3.644 -8.881 1.00 0.00 O ATOM 18 CB VAL A 3 21.577 2.635 -10.463 1.00 0.00 C ATOM 19 CG1 VAL A 3 21.938 2.750 -8.981 1.00 0.00 C ATOM 20 CG2 VAL A 3 22.427 1.537 -11.108 1.00 0.00 C ATOM 0 HA VAL A 3 19.872 1.388 -10.024 1.00 0.00 H new ATOM 0 HB VAL A 3 21.771 3.586 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.994 3.001 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 3 21.335 3.532 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.743 1.800 -8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 3 23.483 1.788 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 3 22.231 0.586 -10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 3 22.173 1.454 -12.165 1.00 0.00 H new ATOM 30 N SER A 4 18.642 4.219 -10.953 1.00 0.00 N ATOM 31 CA SER A 4 17.803 5.368 -10.497 1.00 0.00 C ATOM 32 C SER A 4 16.578 4.846 -9.743 1.00 0.00 C ATOM 33 O SER A 4 16.411 5.099 -8.564 1.00 0.00 O ATOM 34 CB SER A 4 17.347 6.176 -11.712 1.00 0.00 C ATOM 35 OG SER A 4 16.355 7.110 -11.307 1.00 0.00 O ATOM 0 H SER A 4 18.699 4.101 -11.965 1.00 0.00 H new ATOM 0 HA SER A 4 18.390 6.003 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.195 6.698 -12.156 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.946 5.511 -12.477 1.00 0.00 H new ATOM 0 HG SER A 4 16.061 7.632 -12.083 1.00 0.00 H new ATOM 41 N GLU A 5 15.717 4.125 -10.416 1.00 0.00 N ATOM 42 CA GLU A 5 14.495 3.587 -9.747 1.00 0.00 C ATOM 43 C GLU A 5 14.897 2.581 -8.665 1.00 0.00 C ATOM 44 O GLU A 5 14.225 2.438 -7.660 1.00 0.00 O ATOM 45 CB GLU A 5 13.607 2.899 -10.791 1.00 0.00 C ATOM 46 CG GLU A 5 14.395 1.789 -11.493 1.00 0.00 C ATOM 47 CD GLU A 5 13.990 1.725 -12.967 1.00 0.00 C ATOM 48 OE1 GLU A 5 13.900 2.775 -13.581 1.00 0.00 O ATOM 49 OE2 GLU A 5 13.779 0.627 -13.456 1.00 0.00 O ATOM 0 H GLU A 5 15.809 3.885 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 5 13.944 4.405 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.722 2.481 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.258 3.628 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.465 1.979 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.202 0.831 -11.010 1.00 0.00 H new ATOM 56 N LEU A 6 15.984 1.882 -8.866 1.00 0.00 N ATOM 57 CA LEU A 6 16.436 0.880 -7.856 1.00 0.00 C ATOM 58 C LEU A 6 16.993 1.595 -6.615 1.00 0.00 C ATOM 59 O LEU A 6 17.069 1.019 -5.547 1.00 0.00 O ATOM 60 CB LEU A 6 17.526 -0.009 -8.477 1.00 0.00 C ATOM 61 CG LEU A 6 16.970 -1.412 -8.778 1.00 0.00 C ATOM 62 CD1 LEU A 6 16.480 -2.068 -7.484 1.00 0.00 C ATOM 63 CD2 LEU A 6 15.807 -1.307 -9.770 1.00 0.00 C ATOM 0 H LEU A 6 16.580 1.963 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 6 15.588 0.264 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.896 0.447 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.373 -0.086 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 6 17.763 -2.021 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.088 -3.061 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.310 -2.154 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.693 -1.457 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.417 -2.303 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.017 -0.691 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.159 -0.852 -10.696 1.00 0.00 H new ATOM 75 N LEU A 7 17.385 2.840 -6.747 1.00 0.00 N ATOM 76 CA LEU A 7 17.938 3.585 -5.576 1.00 0.00 C ATOM 77 C LEU A 7 16.796 4.014 -4.650 1.00 0.00 C ATOM 78 O LEU A 7 16.829 3.770 -3.460 1.00 0.00 O ATOM 79 CB LEU A 7 18.690 4.824 -6.069 1.00 0.00 C ATOM 80 CG LEU A 7 19.372 5.515 -4.885 1.00 0.00 C ATOM 81 CD1 LEU A 7 20.680 4.795 -4.555 1.00 0.00 C ATOM 82 CD2 LEU A 7 19.671 6.971 -5.250 1.00 0.00 C ATOM 0 H LEU A 7 17.345 3.371 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 7 18.622 2.938 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.433 4.539 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.999 5.512 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 7 18.712 5.483 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.164 5.288 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.469 3.757 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.341 4.825 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.157 7.465 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.330 7.001 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.739 7.486 -5.484 1.00 0.00 H new ATOM 94 N ILE A 8 15.792 4.659 -5.189 1.00 0.00 N ATOM 95 CA ILE A 8 14.647 5.115 -4.344 1.00 0.00 C ATOM 96 C ILE A 8 13.924 3.895 -3.754 1.00 0.00 C ATOM 97 O ILE A 8 13.464 3.923 -2.627 1.00 0.00 O ATOM 98 CB ILE A 8 13.680 5.943 -5.207 1.00 0.00 C ATOM 99 CG1 ILE A 8 12.512 6.440 -4.347 1.00 0.00 C ATOM 100 CG2 ILE A 8 13.139 5.090 -6.356 1.00 0.00 C ATOM 101 CD1 ILE A 8 11.834 7.624 -5.039 1.00 0.00 C ATOM 0 H ILE A 8 15.716 4.890 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 8 15.014 5.734 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 8 14.219 6.797 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.793 5.636 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.873 6.739 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.455 5.686 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.967 4.747 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.608 4.228 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.004 7.977 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.556 8.430 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.459 7.310 -6.013 1.00 0.00 H new ATOM 113 N SER A 9 13.823 2.831 -4.508 1.00 0.00 N ATOM 114 CA SER A 9 13.130 1.609 -4.001 1.00 0.00 C ATOM 115 C SER A 9 13.922 1.015 -2.832 1.00 0.00 C ATOM 116 O SER A 9 13.366 0.672 -1.805 1.00 0.00 O ATOM 117 CB SER A 9 13.035 0.577 -5.126 1.00 0.00 C ATOM 118 OG SER A 9 12.233 -0.515 -4.695 1.00 0.00 O ATOM 0 H SER A 9 14.192 2.756 -5.456 1.00 0.00 H new ATOM 0 HA SER A 9 12.129 1.875 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.602 1.032 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.030 0.227 -5.399 1.00 0.00 H new ATOM 0 HG SER A 9 12.169 -1.178 -5.414 1.00 0.00 H new ATOM 124 N THR A 10 15.215 0.890 -2.987 1.00 0.00 N ATOM 125 CA THR A 10 16.058 0.315 -1.898 1.00 0.00 C ATOM 126 C THR A 10 16.212 1.321 -0.748 1.00 0.00 C ATOM 127 O THR A 10 16.617 0.961 0.341 1.00 0.00 O ATOM 128 CB THR A 10 17.439 -0.029 -2.457 1.00 0.00 C ATOM 129 OG1 THR A 10 17.290 -0.706 -3.697 1.00 0.00 O ATOM 130 CG2 THR A 10 18.183 -0.929 -1.469 1.00 0.00 C ATOM 0 H THR A 10 15.725 1.164 -3.827 1.00 0.00 H new ATOM 0 HA THR A 10 15.574 -0.584 -1.516 1.00 0.00 H new ATOM 0 HB THR A 10 18.008 0.888 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.549 -0.108 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 10 19.167 -1.173 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.297 -0.409 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.616 -1.847 -1.315 1.00 0.00 H new ATOM 138 N ALA A 11 15.898 2.575 -0.977 1.00 0.00 N ATOM 139 CA ALA A 11 16.035 3.593 0.108 1.00 0.00 C ATOM 140 C ALA A 11 14.937 3.380 1.151 1.00 0.00 C ATOM 141 O ALA A 11 15.180 3.444 2.341 1.00 0.00 O ATOM 142 CB ALA A 11 15.904 4.996 -0.489 1.00 0.00 C ATOM 0 H ALA A 11 15.554 2.935 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 11 17.011 3.488 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.004 5.739 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.687 5.150 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.928 5.100 -0.963 1.00 0.00 H new ATOM 148 N VAL A 12 13.732 3.128 0.710 1.00 0.00 N ATOM 149 CA VAL A 12 12.608 2.911 1.669 1.00 0.00 C ATOM 150 C VAL A 12 12.757 1.537 2.329 1.00 0.00 C ATOM 151 O VAL A 12 12.915 1.432 3.531 1.00 0.00 O ATOM 152 CB VAL A 12 11.278 2.973 0.919 1.00 0.00 C ATOM 153 CG1 VAL A 12 10.122 2.900 1.918 1.00 0.00 C ATOM 154 CG2 VAL A 12 11.193 4.287 0.139 1.00 0.00 C ATOM 0 H VAL A 12 13.477 3.063 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 12 12.630 3.687 2.435 1.00 0.00 H new ATOM 0 HB VAL A 12 11.214 2.133 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.174 2.944 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.181 1.965 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.186 3.739 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.244 4.332 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.259 5.126 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.015 4.340 -0.575 1.00 0.00 H new ATOM 164 N GLN A 13 12.703 0.488 1.550 1.00 0.00 N ATOM 165 CA GLN A 13 12.836 -0.885 2.122 1.00 0.00 C ATOM 166 C GLN A 13 14.209 -1.056 2.784 1.00 0.00 C ATOM 167 O GLN A 13 14.406 -1.949 3.586 1.00 0.00 O ATOM 168 CB GLN A 13 12.685 -1.918 1.005 1.00 0.00 C ATOM 169 CG GLN A 13 11.198 -2.160 0.728 1.00 0.00 C ATOM 170 CD GLN A 13 10.742 -1.271 -0.430 1.00 0.00 C ATOM 171 OE1 GLN A 13 11.105 -1.501 -1.567 1.00 0.00 O ATOM 172 NE2 GLN A 13 9.956 -0.258 -0.188 1.00 0.00 N ATOM 0 H GLN A 13 12.572 0.523 0.539 1.00 0.00 H new ATOM 0 HA GLN A 13 12.058 -1.030 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.181 -1.566 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.169 -2.852 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.029 -3.209 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.611 -1.942 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.652 -0.065 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.646 0.341 -0.953 1.00 0.00 H new ATOM 181 N GLY A 14 15.161 -0.215 2.454 1.00 0.00 N ATOM 182 CA GLY A 14 16.518 -0.339 3.061 1.00 0.00 C ATOM 183 C GLY A 14 16.491 0.167 4.505 1.00 0.00 C ATOM 184 O GLY A 14 17.056 -0.443 5.392 1.00 0.00 O ATOM 0 H GLY A 14 15.053 0.551 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.843 -1.379 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.240 0.234 2.479 1.00 0.00 H new ATOM 188 N ILE A 15 15.844 1.280 4.745 1.00 0.00 N ATOM 189 CA ILE A 15 15.783 1.832 6.132 1.00 0.00 C ATOM 190 C ILE A 15 15.020 0.861 7.038 1.00 0.00 C ATOM 191 O ILE A 15 15.362 0.680 8.192 1.00 0.00 O ATOM 192 CB ILE A 15 15.070 3.189 6.114 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.779 4.125 5.131 1.00 0.00 C ATOM 194 CG2 ILE A 15 15.105 3.807 7.514 1.00 0.00 C ATOM 195 CD1 ILE A 15 14.763 5.098 4.528 1.00 0.00 C ATOM 0 H ILE A 15 15.355 1.830 4.039 1.00 0.00 H new ATOM 0 HA ILE A 15 16.795 1.962 6.515 1.00 0.00 H new ATOM 0 HB ILE A 15 14.035 3.048 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.568 4.677 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.257 3.546 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.598 4.772 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.602 3.143 8.217 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.141 3.947 7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.268 5.764 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.990 4.537 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.306 5.686 5.324 1.00 0.00 H new ATOM 207 N LEU A 16 13.990 0.237 6.525 1.00 0.00 N ATOM 208 CA LEU A 16 13.201 -0.724 7.351 1.00 0.00 C ATOM 209 C LEU A 16 13.987 -2.029 7.511 1.00 0.00 C ATOM 210 O LEU A 16 13.853 -2.725 8.497 1.00 0.00 O ATOM 211 CB LEU A 16 11.863 -1.012 6.660 1.00 0.00 C ATOM 212 CG LEU A 16 10.764 -0.135 7.272 1.00 0.00 C ATOM 213 CD1 LEU A 16 9.824 0.357 6.169 1.00 0.00 C ATOM 214 CD2 LEU A 16 9.966 -0.952 8.293 1.00 0.00 C ATOM 0 H LEU A 16 13.661 0.353 5.566 1.00 0.00 H new ATOM 0 HA LEU A 16 13.016 -0.291 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.945 -0.815 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.605 -2.065 6.771 1.00 0.00 H new ATOM 0 HG LEU A 16 11.221 0.722 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.044 0.980 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.389 0.941 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.368 -0.499 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.185 -0.328 8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.511 -1.810 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.633 -1.300 9.082 1.00 0.00 H new ATOM 226 N PHE A 17 14.802 -2.363 6.544 1.00 0.00 N ATOM 227 CA PHE A 17 15.600 -3.622 6.629 1.00 0.00 C ATOM 228 C PHE A 17 16.753 -3.442 7.623 1.00 0.00 C ATOM 229 O PHE A 17 17.238 -4.399 8.197 1.00 0.00 O ATOM 230 CB PHE A 17 16.168 -3.957 5.247 1.00 0.00 C ATOM 231 CG PHE A 17 16.796 -5.329 5.277 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.005 -6.457 5.531 1.00 0.00 C ATOM 233 CD2 PHE A 17 18.171 -5.476 5.049 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.588 -7.730 5.559 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.753 -6.748 5.077 1.00 0.00 C ATOM 236 CZ PHE A 17 17.962 -7.875 5.332 1.00 0.00 C ATOM 0 H PHE A 17 14.949 -1.816 5.696 1.00 0.00 H new ATOM 0 HA PHE A 17 14.956 -4.433 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.375 -3.925 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 17 16.910 -3.213 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 17 14.945 -6.345 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.781 -4.607 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.978 -8.599 5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.813 -6.861 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.412 -8.857 5.354 1.00 0.00 H new ATOM 246 N ALA A 18 17.197 -2.225 7.825 1.00 0.00 N ATOM 247 CA ALA A 18 18.322 -1.981 8.775 1.00 0.00 C ATOM 248 C ALA A 18 17.793 -1.968 10.211 1.00 0.00 C ATOM 249 O ALA A 18 18.385 -2.551 11.099 1.00 0.00 O ATOM 250 CB ALA A 18 18.973 -0.633 8.459 1.00 0.00 C ATOM 0 H ALA A 18 16.827 -1.390 7.371 1.00 0.00 H new ATOM 0 HA ALA A 18 19.060 -2.776 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.795 -0.454 9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.355 -0.644 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.233 0.161 8.561 1.00 0.00 H new ATOM 256 N LEU A 19 16.687 -1.305 10.447 1.00 0.00 N ATOM 257 CA LEU A 19 16.122 -1.251 11.830 1.00 0.00 C ATOM 258 C LEU A 19 15.776 -2.666 12.297 1.00 0.00 C ATOM 259 O LEU A 19 16.044 -3.040 13.424 1.00 0.00 O ATOM 260 CB LEU A 19 14.858 -0.389 11.837 1.00 0.00 C ATOM 261 CG LEU A 19 14.507 -0.015 13.279 1.00 0.00 C ATOM 262 CD1 LEU A 19 15.508 1.021 13.795 1.00 0.00 C ATOM 263 CD2 LEU A 19 13.096 0.573 13.326 1.00 0.00 C ATOM 0 H LEU A 19 16.152 -0.799 9.741 1.00 0.00 H new ATOM 0 HA LEU A 19 16.860 -0.816 12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.015 0.512 11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 14.031 -0.932 11.379 1.00 0.00 H new ATOM 0 HG LEU A 19 14.550 -0.906 13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.259 1.288 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 19 16.514 0.602 13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.465 1.912 13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.847 0.839 14.353 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.052 1.464 12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.382 -0.164 12.959 1.00 0.00 H new ATOM 275 N LEU A 20 15.187 -3.456 11.437 1.00 0.00 N ATOM 276 CA LEU A 20 14.824 -4.852 11.819 1.00 0.00 C ATOM 277 C LEU A 20 16.084 -5.724 11.812 1.00 0.00 C ATOM 278 O LEU A 20 16.171 -6.705 12.527 1.00 0.00 O ATOM 279 CB LEU A 20 13.805 -5.409 10.816 1.00 0.00 C ATOM 280 CG LEU A 20 12.377 -4.997 11.213 1.00 0.00 C ATOM 281 CD1 LEU A 20 12.030 -5.577 12.587 1.00 0.00 C ATOM 282 CD2 LEU A 20 12.266 -3.469 11.266 1.00 0.00 C ATOM 0 H LEU A 20 14.941 -3.192 10.483 1.00 0.00 H new ATOM 0 HA LEU A 20 14.386 -4.856 12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.031 -5.040 9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.879 -6.496 10.779 1.00 0.00 H new ATOM 0 HG LEU A 20 11.682 -5.384 10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.017 -5.281 12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.093 -6.665 12.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.733 -5.199 13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.251 -3.187 11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.969 -3.078 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.499 -3.053 10.286 1.00 0.00 H new