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= -0.178 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 16.939 4.245 -13.551 1.00 0.00 N ATOM 15 CA VAL A 3 17.960 3.665 -12.630 1.00 0.00 C ATOM 16 C VAL A 3 17.794 4.278 -11.232 1.00 0.00 C ATOM 17 O VAL A 3 18.074 3.646 -10.231 1.00 0.00 O ATOM 18 CB VAL A 3 19.365 3.960 -13.180 1.00 0.00 C ATOM 19 CG1 VAL A 3 19.589 5.473 -13.268 1.00 0.00 C ATOM 20 CG2 VAL A 3 20.423 3.340 -12.260 1.00 0.00 C ATOM 0 HA VAL A 3 17.826 2.586 -12.559 1.00 0.00 H new ATOM 0 HB VAL A 3 19.451 3.527 -14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.587 5.671 -13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.845 5.913 -13.933 1.00 0.00 H new ATOM 0 HG13 VAL A 3 19.494 5.913 -12.275 1.00 0.00 H new ATOM 0 HG21 VAL A 3 21.417 3.552 -12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.331 3.765 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.275 2.261 -12.210 1.00 0.00 H new ATOM 30 N SER A 4 17.340 5.504 -11.165 1.00 0.00 N ATOM 31 CA SER A 4 17.151 6.167 -9.841 1.00 0.00 C ATOM 32 C SER A 4 16.057 5.442 -9.055 1.00 0.00 C ATOM 33 O SER A 4 16.189 5.208 -7.869 1.00 0.00 O ATOM 34 CB SER A 4 16.742 7.625 -10.053 1.00 0.00 C ATOM 35 OG SER A 4 15.428 7.669 -10.594 1.00 0.00 O ATOM 0 H SER A 4 17.092 6.075 -11.973 1.00 0.00 H new ATOM 0 HA SER A 4 18.086 6.128 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.777 8.166 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.442 8.117 -10.728 1.00 0.00 H new ATOM 0 HG SER A 4 15.161 8.602 -10.730 1.00 0.00 H new ATOM 41 N GLU A 5 14.978 5.088 -9.708 1.00 0.00 N ATOM 42 CA GLU A 5 13.868 4.379 -9.003 1.00 0.00 C ATOM 43 C GLU A 5 14.372 3.036 -8.469 1.00 0.00 C ATOM 44 O GLU A 5 13.911 2.551 -7.453 1.00 0.00 O ATOM 45 CB GLU A 5 12.714 4.137 -9.978 1.00 0.00 C ATOM 46 CG GLU A 5 12.067 5.473 -10.349 1.00 0.00 C ATOM 47 CD GLU A 5 10.857 5.221 -11.250 1.00 0.00 C ATOM 48 OE1 GLU A 5 9.804 4.910 -10.719 1.00 0.00 O ATOM 49 OE2 GLU A 5 11.004 5.344 -12.455 1.00 0.00 O ATOM 0 H GLU A 5 14.819 5.260 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 5 13.520 4.992 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.081 3.638 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.974 3.477 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.759 6.003 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.789 6.109 -10.861 1.00 0.00 H new ATOM 56 N LEU A 6 15.315 2.435 -9.149 1.00 0.00 N ATOM 57 CA LEU A 6 15.856 1.123 -8.690 1.00 0.00 C ATOM 58 C LEU A 6 16.741 1.334 -7.457 1.00 0.00 C ATOM 59 O LEU A 6 16.889 0.450 -6.634 1.00 0.00 O ATOM 60 CB LEU A 6 16.683 0.492 -9.813 1.00 0.00 C ATOM 61 CG LEU A 6 15.744 -0.120 -10.854 1.00 0.00 C ATOM 62 CD1 LEU A 6 16.492 -0.294 -12.177 1.00 0.00 C ATOM 63 CD2 LEU A 6 15.256 -1.485 -10.362 1.00 0.00 C ATOM 0 H LEU A 6 15.734 2.799 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 6 15.030 0.461 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.319 1.245 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.343 -0.275 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 6 14.889 0.540 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.823 -0.730 -12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.840 0.677 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.347 -0.953 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.587 -1.921 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.111 -2.145 -10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.722 -1.363 -9.419 1.00 0.00 H new ATOM 75 N LEU A 7 17.330 2.498 -7.325 1.00 0.00 N ATOM 76 CA LEU A 7 18.206 2.770 -6.147 1.00 0.00 C ATOM 77 C LEU A 7 17.335 3.055 -4.918 1.00 0.00 C ATOM 78 O LEU A 7 17.718 2.768 -3.799 1.00 0.00 O ATOM 79 CB LEU A 7 19.100 3.985 -6.447 1.00 0.00 C ATOM 80 CG LEU A 7 20.574 3.601 -6.286 1.00 0.00 C ATOM 81 CD1 LEU A 7 21.418 4.373 -7.301 1.00 0.00 C ATOM 82 CD2 LEU A 7 21.039 3.949 -4.870 1.00 0.00 C ATOM 0 H LEU A 7 17.240 3.271 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 7 18.834 1.901 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.917 4.341 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.853 4.805 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 7 20.690 2.531 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 22.467 4.099 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.088 4.128 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.302 5.443 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.088 3.676 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.922 5.019 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.439 3.400 -4.145 1.00 0.00 H new ATOM 94 N ILE A 8 16.169 3.617 -5.121 1.00 0.00 N ATOM 95 CA ILE A 8 15.271 3.923 -3.968 1.00 0.00 C ATOM 96 C ILE A 8 14.736 2.618 -3.374 1.00 0.00 C ATOM 97 O ILE A 8 14.613 2.481 -2.173 1.00 0.00 O ATOM 98 CB ILE A 8 14.101 4.785 -4.445 1.00 0.00 C ATOM 99 CG1 ILE A 8 14.646 6.041 -5.126 1.00 0.00 C ATOM 100 CG2 ILE A 8 13.239 5.193 -3.247 1.00 0.00 C ATOM 101 CD1 ILE A 8 13.502 6.781 -5.818 1.00 0.00 C ATOM 0 H ILE A 8 15.801 3.877 -6.036 1.00 0.00 H new ATOM 0 HA ILE A 8 15.833 4.464 -3.206 1.00 0.00 H new ATOM 0 HB ILE A 8 13.495 4.216 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.121 6.690 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.411 5.770 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.406 5.807 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.853 4.300 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.843 5.763 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.889 7.677 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.047 6.131 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.752 7.064 -5.079 1.00 0.00 H new ATOM 113 N SER A 9 14.414 1.663 -4.209 1.00 0.00 N ATOM 114 CA SER A 9 13.883 0.364 -3.700 1.00 0.00 C ATOM 115 C SER A 9 14.950 -0.325 -2.846 1.00 0.00 C ATOM 116 O SER A 9 14.693 -0.738 -1.730 1.00 0.00 O ATOM 117 CB SER A 9 13.515 -0.532 -4.883 1.00 0.00 C ATOM 118 OG SER A 9 12.222 -0.176 -5.355 1.00 0.00 O ATOM 0 H SER A 9 14.496 1.728 -5.224 1.00 0.00 H new ATOM 0 HA SER A 9 12.996 0.545 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.250 -0.421 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.529 -1.579 -4.580 1.00 0.00 H new ATOM 0 HG SER A 9 11.982 -0.747 -6.115 1.00 0.00 H new ATOM 124 N THR A 10 16.146 -0.448 -3.362 1.00 0.00 N ATOM 125 CA THR A 10 17.241 -1.106 -2.589 1.00 0.00 C ATOM 126 C THR A 10 17.506 -0.319 -1.302 1.00 0.00 C ATOM 127 O THR A 10 17.900 -0.873 -0.293 1.00 0.00 O ATOM 128 CB THR A 10 18.513 -1.141 -3.444 1.00 0.00 C ATOM 129 OG1 THR A 10 19.572 -1.717 -2.692 1.00 0.00 O ATOM 130 CG2 THR A 10 18.897 0.280 -3.865 1.00 0.00 C ATOM 0 H THR A 10 16.412 -0.119 -4.290 1.00 0.00 H new ATOM 0 HA THR A 10 16.947 -2.124 -2.332 1.00 0.00 H new ATOM 0 HB THR A 10 18.330 -1.740 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 10 20.385 -1.741 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 10 19.802 0.248 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.086 0.719 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.077 0.886 -2.977 1.00 0.00 H new ATOM 138 N ALA A 11 17.290 0.970 -1.339 1.00 0.00 N ATOM 139 CA ALA A 11 17.525 1.811 -0.130 1.00 0.00 C ATOM 140 C ALA A 11 16.447 1.518 0.917 1.00 0.00 C ATOM 141 O ALA A 11 16.689 1.607 2.105 1.00 0.00 O ATOM 142 CB ALA A 11 17.468 3.289 -0.522 1.00 0.00 C ATOM 0 H ALA A 11 16.959 1.478 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 11 18.505 1.581 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.639 3.906 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.237 3.498 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.487 3.517 -0.939 1.00 0.00 H new ATOM 148 N VAL A 12 15.262 1.169 0.485 1.00 0.00 N ATOM 149 CA VAL A 12 14.162 0.869 1.450 1.00 0.00 C ATOM 150 C VAL A 12 14.420 -0.479 2.132 1.00 0.00 C ATOM 151 O VAL A 12 13.946 -0.728 3.224 1.00 0.00 O ATOM 152 CB VAL A 12 12.826 0.814 0.702 1.00 0.00 C ATOM 153 CG1 VAL A 12 11.682 0.639 1.705 1.00 0.00 C ATOM 154 CG2 VAL A 12 12.620 2.114 -0.087 1.00 0.00 C ATOM 0 H VAL A 12 15.008 1.079 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 12 14.126 1.653 2.206 1.00 0.00 H new ATOM 0 HB VAL A 12 12.836 -0.030 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.733 0.600 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.824 -0.288 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.674 1.480 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.669 2.071 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.614 2.960 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.431 2.236 -0.805 1.00 0.00 H new ATOM 164 N GLN A 13 15.159 -1.353 1.493 1.00 0.00 N ATOM 165 CA GLN A 13 15.441 -2.688 2.099 1.00 0.00 C ATOM 166 C GLN A 13 16.459 -2.543 3.234 1.00 0.00 C ATOM 167 O GLN A 13 16.289 -3.100 4.303 1.00 0.00 O ATOM 168 CB GLN A 13 16.005 -3.622 1.025 1.00 0.00 C ATOM 169 CG GLN A 13 15.685 -5.073 1.390 1.00 0.00 C ATOM 170 CD GLN A 13 16.401 -6.012 0.418 1.00 0.00 C ATOM 171 OE1 GLN A 13 17.173 -6.856 0.828 1.00 0.00 O ATOM 172 NE2 GLN A 13 16.178 -5.900 -0.863 1.00 0.00 N ATOM 0 H GLN A 13 15.579 -1.197 0.577 1.00 0.00 H new ATOM 0 HA GLN A 13 14.516 -3.103 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.576 -3.377 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.083 -3.487 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.001 -5.280 2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.609 -5.241 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.530 -5.192 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.652 -6.521 -1.519 1.00 0.00 H new ATOM 181 N GLY A 14 17.518 -1.807 3.008 1.00 0.00 N ATOM 182 CA GLY A 14 18.557 -1.631 4.069 1.00 0.00 C ATOM 183 C GLY A 14 17.991 -0.799 5.223 1.00 0.00 C ATOM 184 O GLY A 14 18.182 -1.122 6.380 1.00 0.00 O ATOM 0 H GLY A 14 17.708 -1.319 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.882 -2.604 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 14 19.435 -1.139 3.651 1.00 0.00 H new ATOM 188 N ILE A 15 17.301 0.271 4.917 1.00 0.00 N ATOM 189 CA ILE A 15 16.724 1.130 5.995 1.00 0.00 C ATOM 190 C ILE A 15 15.668 0.334 6.767 1.00 0.00 C ATOM 191 O ILE A 15 15.505 0.503 7.961 1.00 0.00 O ATOM 192 CB ILE A 15 16.082 2.376 5.374 1.00 0.00 C ATOM 193 CG1 ILE A 15 17.128 3.131 4.548 1.00 0.00 C ATOM 194 CG2 ILE A 15 15.560 3.293 6.484 1.00 0.00 C ATOM 195 CD1 ILE A 15 16.432 4.152 3.644 1.00 0.00 C ATOM 0 H ILE A 15 17.112 0.587 3.966 1.00 0.00 H new ATOM 0 HA ILE A 15 17.516 1.439 6.677 1.00 0.00 H new ATOM 0 HB ILE A 15 15.255 2.073 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.832 3.636 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.704 2.430 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 15 15.104 4.178 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.816 2.760 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.388 3.594 7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.179 4.688 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.746 3.636 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.875 4.861 4.257 1.00 0.00 H new ATOM 207 N LEU A 16 14.953 -0.529 6.093 1.00 0.00 N ATOM 208 CA LEU A 16 13.907 -1.341 6.781 1.00 0.00 C ATOM 209 C LEU A 16 14.574 -2.319 7.752 1.00 0.00 C ATOM 210 O LEU A 16 13.990 -2.716 8.743 1.00 0.00 O ATOM 211 CB LEU A 16 13.104 -2.124 5.739 1.00 0.00 C ATOM 212 CG LEU A 16 11.836 -1.348 5.378 1.00 0.00 C ATOM 213 CD1 LEU A 16 11.147 -2.021 4.191 1.00 0.00 C ATOM 214 CD2 LEU A 16 10.886 -1.338 6.578 1.00 0.00 C ATOM 0 H LEU A 16 15.049 -0.706 5.093 1.00 0.00 H new ATOM 0 HA LEU A 16 13.240 -0.680 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.709 -2.287 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.842 -3.107 6.131 1.00 0.00 H new ATOM 0 HG LEU A 16 12.100 -0.324 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.243 -1.468 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.823 -2.031 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.883 -3.045 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.982 -0.785 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.623 -2.362 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.376 -0.859 7.426 1.00 0.00 H new ATOM 226 N PHE A 17 15.791 -2.712 7.471 1.00 0.00 N ATOM 227 CA PHE A 17 16.504 -3.667 8.369 1.00 0.00 C ATOM 228 C PHE A 17 17.118 -2.909 9.553 1.00 0.00 C ATOM 229 O PHE A 17 17.326 -3.469 10.613 1.00 0.00 O ATOM 230 CB PHE A 17 17.613 -4.374 7.574 1.00 0.00 C ATOM 231 CG PHE A 17 17.518 -5.868 7.779 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.172 -6.469 8.862 1.00 0.00 C ATOM 233 CD2 PHE A 17 16.775 -6.651 6.888 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.082 -7.853 9.053 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.684 -8.035 7.080 1.00 0.00 C ATOM 236 CZ PHE A 17 17.338 -8.636 8.162 1.00 0.00 C ATOM 0 H PHE A 17 16.322 -2.410 6.654 1.00 0.00 H new ATOM 0 HA PHE A 17 15.798 -4.405 8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.521 -4.137 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.590 -4.015 7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.746 -5.865 9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.272 -6.188 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.587 -8.317 9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.109 -8.639 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.269 -9.704 8.310 1.00 0.00 H new ATOM 246 N ALA A 18 17.412 -1.644 9.379 1.00 0.00 N ATOM 247 CA ALA A 18 18.015 -0.850 10.489 1.00 0.00 C ATOM 248 C ALA A 18 16.974 -0.627 11.589 1.00 0.00 C ATOM 249 O ALA A 18 17.246 -0.821 12.759 1.00 0.00 O ATOM 250 CB ALA A 18 18.486 0.502 9.949 1.00 0.00 C ATOM 0 H ALA A 18 17.259 -1.128 8.513 1.00 0.00 H new ATOM 0 HA ALA A 18 18.864 -1.394 10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.927 1.084 10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.231 0.343 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.636 1.044 9.534 1.00 0.00 H new ATOM 256 N LEU A 19 15.786 -0.220 11.220 1.00 0.00 N ATOM 257 CA LEU A 19 14.721 0.021 12.238 1.00 0.00 C ATOM 258 C LEU A 19 14.300 -1.308 12.868 1.00 0.00 C ATOM 259 O LEU A 19 14.203 -1.428 14.074 1.00 0.00 O ATOM 260 CB LEU A 19 13.507 0.668 11.565 1.00 0.00 C ATOM 261 CG LEU A 19 13.743 2.178 11.408 1.00 0.00 C ATOM 262 CD1 LEU A 19 14.066 2.501 9.947 1.00 0.00 C ATOM 263 CD2 LEU A 19 12.483 2.941 11.828 1.00 0.00 C ATOM 0 H LEU A 19 15.508 -0.044 10.255 1.00 0.00 H new ATOM 0 HA LEU A 19 15.108 0.684 13.012 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.336 0.214 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.612 0.490 12.161 1.00 0.00 H new ATOM 0 HG LEU A 19 14.579 2.477 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.233 3.573 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.964 1.962 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.231 2.198 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.652 4.012 11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.647 2.638 11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.252 2.717 12.869 1.00 0.00 H new ATOM 275 N LEU A 20 14.047 -2.304 12.058 1.00 0.00 N ATOM 276 CA LEU A 20 13.628 -3.632 12.599 1.00 0.00 C ATOM 277 C LEU A 20 14.739 -4.201 13.490 1.00 0.00 C ATOM 278 O LEU A 20 14.482 -4.973 14.395 1.00 0.00 O ATOM 279 CB LEU A 20 13.358 -4.592 11.432 1.00 0.00 C ATOM 280 CG LEU A 20 12.064 -5.369 11.688 1.00 0.00 C ATOM 281 CD1 LEU A 20 11.729 -6.224 10.464 1.00 0.00 C ATOM 282 CD2 LEU A 20 12.248 -6.277 12.905 1.00 0.00 C ATOM 0 H LEU A 20 14.113 -2.254 11.041 1.00 0.00 H new ATOM 0 HA LEU A 20 12.721 -3.514 13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.279 -4.033 10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.192 -5.284 11.318 1.00 0.00 H new ATOM 0 HG LEU A 20 11.251 -4.667 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.808 -6.777 10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.599 -5.580 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.542 -6.926 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.327 -6.831 13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.061 -6.978 12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.487 -5.671 13.779 1.00 0.00 H new