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 90:sc= 1.15 USER MOD Single : A 13 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 17.930 1.905 -13.391 1.00 0.00 N ATOM 15 CA VAL A 3 18.993 1.962 -12.345 1.00 0.00 C ATOM 16 C VAL A 3 18.585 2.962 -11.260 1.00 0.00 C ATOM 17 O VAL A 3 18.684 2.683 -10.080 1.00 0.00 O ATOM 18 CB VAL A 3 20.312 2.405 -12.983 1.00 0.00 C ATOM 19 CG1 VAL A 3 21.429 2.371 -11.938 1.00 0.00 C ATOM 20 CG2 VAL A 3 20.663 1.457 -14.132 1.00 0.00 C ATOM 0 HA VAL A 3 19.121 0.976 -11.899 1.00 0.00 H new ATOM 0 HB VAL A 3 20.205 3.421 -13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.366 2.687 -12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 3 21.181 3.045 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.537 1.357 -11.554 1.00 0.00 H new ATOM 0 HG21 VAL A 3 21.602 1.770 -14.588 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.767 0.442 -13.748 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.870 1.482 -14.880 1.00 0.00 H new ATOM 30 N SER A 4 18.128 4.125 -11.653 1.00 0.00 N ATOM 31 CA SER A 4 17.713 5.149 -10.651 1.00 0.00 C ATOM 32 C SER A 4 16.533 4.619 -9.834 1.00 0.00 C ATOM 33 O SER A 4 16.477 4.788 -8.630 1.00 0.00 O ATOM 34 CB SER A 4 17.296 6.431 -11.375 1.00 0.00 C ATOM 35 OG SER A 4 18.456 7.096 -11.857 1.00 0.00 O ATOM 0 H SER A 4 18.025 4.408 -12.628 1.00 0.00 H new ATOM 0 HA SER A 4 18.549 5.362 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.628 6.194 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.744 7.082 -10.697 1.00 0.00 H new ATOM 0 HG SER A 4 18.193 7.917 -12.323 1.00 0.00 H new ATOM 41 N GLU A 5 15.591 3.978 -10.479 1.00 0.00 N ATOM 42 CA GLU A 5 14.410 3.434 -9.747 1.00 0.00 C ATOM 43 C GLU A 5 14.872 2.372 -8.745 1.00 0.00 C ATOM 44 O GLU A 5 14.272 2.193 -7.701 1.00 0.00 O ATOM 45 CB GLU A 5 13.440 2.801 -10.747 1.00 0.00 C ATOM 46 CG GLU A 5 13.034 3.842 -11.793 1.00 0.00 C ATOM 47 CD GLU A 5 11.876 3.299 -12.633 1.00 0.00 C ATOM 48 OE1 GLU A 5 10.923 2.809 -12.047 1.00 0.00 O ATOM 49 OE2 GLU A 5 11.961 3.379 -13.847 1.00 0.00 O ATOM 0 H GLU A 5 15.590 3.808 -11.485 1.00 0.00 H new ATOM 0 HA GLU A 5 13.910 4.243 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.909 1.945 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.557 2.428 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.738 4.769 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.883 4.078 -12.435 1.00 0.00 H new ATOM 56 N LEU A 6 15.930 1.668 -9.057 1.00 0.00 N ATOM 57 CA LEU A 6 16.436 0.614 -8.130 1.00 0.00 C ATOM 58 C LEU A 6 16.994 1.270 -6.865 1.00 0.00 C ATOM 59 O LEU A 6 16.949 0.701 -5.790 1.00 0.00 O ATOM 60 CB LEU A 6 17.543 -0.184 -8.821 1.00 0.00 C ATOM 61 CG LEU A 6 16.918 -1.296 -9.666 1.00 0.00 C ATOM 62 CD1 LEU A 6 17.969 -1.864 -10.622 1.00 0.00 C ATOM 63 CD2 LEU A 6 16.412 -2.409 -8.746 1.00 0.00 C ATOM 0 H LEU A 6 16.466 1.779 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 6 15.619 -0.055 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.141 0.474 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.216 -0.612 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 6 16.086 -0.891 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.523 -2.656 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.332 -1.071 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.802 -2.270 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.966 -3.202 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.245 -2.813 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.663 -2.005 -8.064 1.00 0.00 H new ATOM 75 N LEU A 7 17.523 2.460 -6.988 1.00 0.00 N ATOM 76 CA LEU A 7 18.090 3.162 -5.799 1.00 0.00 C ATOM 77 C LEU A 7 16.952 3.656 -4.902 1.00 0.00 C ATOM 78 O LEU A 7 17.095 3.741 -3.697 1.00 0.00 O ATOM 79 CB LEU A 7 18.928 4.355 -6.263 1.00 0.00 C ATOM 80 CG LEU A 7 19.977 4.686 -5.200 1.00 0.00 C ATOM 81 CD1 LEU A 7 21.100 3.651 -5.254 1.00 0.00 C ATOM 82 CD2 LEU A 7 20.552 6.078 -5.469 1.00 0.00 C ATOM 0 H LEU A 7 17.587 2.977 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 7 18.719 2.471 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.415 4.124 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.286 5.218 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 7 19.514 4.668 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.848 3.886 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.690 2.659 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.564 3.669 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.300 6.315 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.016 6.096 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.751 6.816 -5.431 1.00 0.00 H new ATOM 94 N ILE A 8 15.826 3.981 -5.484 1.00 0.00 N ATOM 95 CA ILE A 8 14.672 4.470 -4.672 1.00 0.00 C ATOM 96 C ILE A 8 14.145 3.327 -3.803 1.00 0.00 C ATOM 97 O ILE A 8 13.828 3.514 -2.642 1.00 0.00 O ATOM 98 CB ILE A 8 13.559 4.958 -5.605 1.00 0.00 C ATOM 99 CG1 ILE A 8 14.119 6.002 -6.586 1.00 0.00 C ATOM 100 CG2 ILE A 8 12.430 5.581 -4.778 1.00 0.00 C ATOM 101 CD1 ILE A 8 14.691 7.206 -5.824 1.00 0.00 C ATOM 0 H ILE A 8 15.656 3.929 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 8 14.997 5.293 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 8 13.169 4.111 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 8 14.898 5.551 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.331 6.333 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.640 5.927 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.027 4.835 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.819 6.424 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.082 7.934 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.903 7.668 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.494 6.873 -5.167 1.00 0.00 H new ATOM 113 N SER A 9 14.049 2.147 -4.358 1.00 0.00 N ATOM 114 CA SER A 9 13.544 0.983 -3.575 1.00 0.00 C ATOM 115 C SER A 9 14.539 0.648 -2.462 1.00 0.00 C ATOM 116 O SER A 9 14.158 0.367 -1.341 1.00 0.00 O ATOM 117 CB SER A 9 13.389 -0.225 -4.500 1.00 0.00 C ATOM 118 OG SER A 9 12.468 -1.142 -3.926 1.00 0.00 O ATOM 0 H SER A 9 14.300 1.940 -5.325 1.00 0.00 H new ATOM 0 HA SER A 9 12.577 1.231 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.037 0.096 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.354 -0.708 -4.651 1.00 0.00 H new ATOM 0 HG SER A 9 12.366 -1.916 -4.518 1.00 0.00 H new ATOM 124 N THR A 10 15.812 0.676 -2.765 1.00 0.00 N ATOM 125 CA THR A 10 16.843 0.362 -1.733 1.00 0.00 C ATOM 126 C THR A 10 16.767 1.386 -0.596 1.00 0.00 C ATOM 127 O THR A 10 17.130 1.098 0.529 1.00 0.00 O ATOM 128 CB THR A 10 18.234 0.410 -2.368 1.00 0.00 C ATOM 129 OG1 THR A 10 18.169 -0.119 -3.686 1.00 0.00 O ATOM 130 CG2 THR A 10 19.208 -0.418 -1.530 1.00 0.00 C ATOM 0 H THR A 10 16.182 0.904 -3.688 1.00 0.00 H new ATOM 0 HA THR A 10 16.658 -0.635 -1.334 1.00 0.00 H new ATOM 0 HB THR A 10 18.581 1.442 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.968 0.602 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 10 20.199 -0.383 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 10 19.256 -0.011 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.864 -1.452 -1.488 1.00 0.00 H new ATOM 138 N ALA A 11 16.300 2.576 -0.880 1.00 0.00 N ATOM 139 CA ALA A 11 16.200 3.620 0.181 1.00 0.00 C ATOM 140 C ALA A 11 15.051 3.277 1.132 1.00 0.00 C ATOM 141 O ALA A 11 15.123 3.530 2.321 1.00 0.00 O ATOM 142 CB ALA A 11 15.935 4.981 -0.467 1.00 0.00 C ATOM 0 H ALA A 11 15.983 2.869 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 11 17.135 3.658 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.862 5.745 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.753 5.227 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.001 4.942 -1.027 1.00 0.00 H new ATOM 148 N VAL A 12 13.993 2.704 0.615 1.00 0.00 N ATOM 149 CA VAL A 12 12.832 2.342 1.482 1.00 0.00 C ATOM 150 C VAL A 12 13.183 1.112 2.324 1.00 0.00 C ATOM 151 O VAL A 12 13.316 1.195 3.530 1.00 0.00 O ATOM 152 CB VAL A 12 11.617 2.035 0.603 1.00 0.00 C ATOM 153 CG1 VAL A 12 10.393 1.780 1.486 1.00 0.00 C ATOM 154 CG2 VAL A 12 11.342 3.226 -0.317 1.00 0.00 C ATOM 0 H VAL A 12 13.884 2.471 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 12 12.599 3.176 2.144 1.00 0.00 H new ATOM 0 HB VAL A 12 11.820 1.148 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.530 1.562 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.588 0.932 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.188 2.665 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.477 3.009 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.141 4.112 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.212 3.406 -0.949 1.00 0.00 H new ATOM 164 N GLN A 13 13.329 -0.027 1.695 1.00 0.00 N ATOM 165 CA GLN A 13 13.666 -1.270 2.449 1.00 0.00 C ATOM 166 C GLN A 13 15.012 -1.105 3.169 1.00 0.00 C ATOM 167 O GLN A 13 15.303 -1.816 4.112 1.00 0.00 O ATOM 168 CB GLN A 13 13.752 -2.444 1.472 1.00 0.00 C ATOM 169 CG GLN A 13 14.754 -2.118 0.362 1.00 0.00 C ATOM 170 CD GLN A 13 15.480 -3.396 -0.063 1.00 0.00 C ATOM 171 OE1 GLN A 13 14.920 -4.474 -0.012 1.00 0.00 O ATOM 172 NE2 GLN A 13 16.714 -3.322 -0.484 1.00 0.00 N ATOM 0 H GLN A 13 13.229 -0.148 0.687 1.00 0.00 H new ATOM 0 HA GLN A 13 12.890 -1.460 3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.060 -3.347 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.771 -2.645 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.237 -1.680 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.473 -1.378 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.185 -2.418 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.207 -4.168 -0.770 1.00 0.00 H new ATOM 181 N GLY A 14 15.832 -0.181 2.732 1.00 0.00 N ATOM 182 CA GLY A 14 17.158 0.022 3.390 1.00 0.00 C ATOM 183 C GLY A 14 16.958 0.550 4.812 1.00 0.00 C ATOM 184 O GLY A 14 17.522 0.034 5.758 1.00 0.00 O ATOM 0 H GLY A 14 15.639 0.441 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.709 -0.918 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.757 0.726 2.812 1.00 0.00 H new ATOM 188 N ILE A 15 16.159 1.578 4.969 1.00 0.00 N ATOM 189 CA ILE A 15 15.921 2.143 6.331 1.00 0.00 C ATOM 190 C ILE A 15 15.189 1.108 7.189 1.00 0.00 C ATOM 191 O ILE A 15 15.525 0.897 8.340 1.00 0.00 O ATOM 192 CB ILE A 15 15.074 3.415 6.218 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.766 4.410 5.282 1.00 0.00 C ATOM 194 CG2 ILE A 15 14.913 4.055 7.601 1.00 0.00 C ATOM 195 CD1 ILE A 15 14.804 5.552 4.950 1.00 0.00 C ATOM 0 H ILE A 15 15.663 2.049 4.212 1.00 0.00 H new ATOM 0 HA ILE A 15 16.875 2.389 6.797 1.00 0.00 H new ATOM 0 HB ILE A 15 14.093 3.156 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.666 4.804 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.080 3.907 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.310 4.959 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.420 3.352 8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.895 4.310 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.296 6.260 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.917 5.150 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.512 6.061 5.869 1.00 0.00 H new ATOM 207 N LEU A 16 14.194 0.462 6.637 1.00 0.00 N ATOM 208 CA LEU A 16 13.437 -0.564 7.414 1.00 0.00 C ATOM 209 C LEU A 16 14.380 -1.705 7.816 1.00 0.00 C ATOM 210 O LEU A 16 14.152 -2.389 8.797 1.00 0.00 O ATOM 211 CB LEU A 16 12.290 -1.115 6.550 1.00 0.00 C ATOM 212 CG LEU A 16 10.939 -0.742 7.174 1.00 0.00 C ATOM 213 CD1 LEU A 16 10.370 0.492 6.470 1.00 0.00 C ATOM 214 CD2 LEU A 16 9.960 -1.909 7.017 1.00 0.00 C ATOM 0 H LEU A 16 13.873 0.602 5.679 1.00 0.00 H new ATOM 0 HA LEU A 16 13.024 -0.109 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.358 -0.711 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.375 -2.198 6.466 1.00 0.00 H new ATOM 0 HG LEU A 16 11.082 -0.525 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.410 0.755 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.062 1.326 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.231 0.275 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.001 -1.642 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.821 -2.128 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.360 -2.790 7.520 1.00 0.00 H new ATOM 226 N PHE A 17 15.435 -1.914 7.066 1.00 0.00 N ATOM 227 CA PHE A 17 16.393 -3.010 7.401 1.00 0.00 C ATOM 228 C PHE A 17 17.209 -2.616 8.634 1.00 0.00 C ATOM 229 O PHE A 17 17.583 -3.452 9.433 1.00 0.00 O ATOM 230 CB PHE A 17 17.336 -3.242 6.212 1.00 0.00 C ATOM 231 CG PHE A 17 17.545 -4.725 6.008 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.519 -5.403 6.752 1.00 0.00 C ATOM 233 CD2 PHE A 17 16.763 -5.420 5.079 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.710 -6.777 6.564 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.955 -6.793 4.890 1.00 0.00 C ATOM 236 CZ PHE A 17 17.929 -7.471 5.633 1.00 0.00 C ATOM 0 H PHE A 17 15.673 -1.371 6.236 1.00 0.00 H new ATOM 0 HA PHE A 17 15.841 -3.926 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 17 16.916 -2.797 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.293 -2.752 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.122 -4.866 7.470 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.011 -4.896 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 17 19.460 -7.301 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.353 -7.329 4.172 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.078 -8.531 5.487 1.00 0.00 H new ATOM 246 N ALA A 18 17.488 -1.347 8.789 1.00 0.00 N ATOM 247 CA ALA A 18 18.283 -0.887 9.966 1.00 0.00 C ATOM 248 C ALA A 18 17.409 -0.895 11.226 1.00 0.00 C ATOM 249 O ALA A 18 17.908 -0.989 12.332 1.00 0.00 O ATOM 250 CB ALA A 18 18.793 0.532 9.711 1.00 0.00 C ATOM 0 H ALA A 18 17.198 -0.608 8.149 1.00 0.00 H new ATOM 0 HA ALA A 18 19.127 -1.561 10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.374 0.870 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.423 0.538 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.946 1.201 9.560 1.00 0.00 H new ATOM 256 N LEU A 19 16.112 -0.793 11.067 1.00 0.00 N ATOM 257 CA LEU A 19 15.206 -0.788 12.254 1.00 0.00 C ATOM 258 C LEU A 19 14.974 -2.224 12.735 1.00 0.00 C ATOM 259 O LEU A 19 15.428 -2.613 13.795 1.00 0.00 O ATOM 260 CB LEU A 19 13.862 -0.148 11.866 1.00 0.00 C ATOM 261 CG LEU A 19 13.412 0.854 12.940 1.00 0.00 C ATOM 262 CD1 LEU A 19 13.251 0.141 14.287 1.00 0.00 C ATOM 263 CD2 LEU A 19 14.452 1.971 13.076 1.00 0.00 C ATOM 0 H LEU A 19 15.643 -0.713 10.165 1.00 0.00 H new ATOM 0 HA LEU A 19 15.665 -0.213 13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.958 0.358 10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.105 -0.923 11.744 1.00 0.00 H new ATOM 0 HG LEU A 19 12.455 1.283 12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.932 0.859 15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.503 -0.646 14.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.204 -0.298 14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.128 2.679 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.412 1.542 13.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.557 2.488 12.122 1.00 0.00 H new ATOM 275 N LEU A 20 14.264 -3.010 11.965 1.00 0.00 N ATOM 276 CA LEU A 20 13.990 -4.422 12.372 1.00 0.00 C ATOM 277 C LEU A 20 15.262 -5.276 12.243 1.00 0.00 C ATOM 278 O LEU A 20 15.310 -6.390 12.732 1.00 0.00 O ATOM 279 CB LEU A 20 12.885 -4.999 11.475 1.00 0.00 C ATOM 280 CG LEU A 20 11.584 -5.127 12.272 1.00 0.00 C ATOM 281 CD1 LEU A 20 10.438 -5.500 11.329 1.00 0.00 C ATOM 282 CD2 LEU A 20 11.746 -6.218 13.333 1.00 0.00 C ATOM 0 H LEU A 20 13.861 -2.734 11.070 1.00 0.00 H new ATOM 0 HA LEU A 20 13.668 -4.437 13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.731 -4.353 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.186 -5.975 11.094 1.00 0.00 H new ATOM 0 HG LEU A 20 11.359 -4.176 12.755 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.513 -5.591 11.898 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.323 -4.725 10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.660 -6.451 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.821 -6.312 13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.971 -7.167 12.847 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.561 -5.953 14.006 1.00 0.00 H new