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 79:sc= 0.877 USER MOD Single : A 13 GLN : amide:sc= -0.262 K(o=-0.26,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 3 17.421 1.746 -13.268 1.00 0.00 N ATOM 15 CA VAL A 3 18.465 1.915 -12.213 1.00 0.00 C ATOM 16 C VAL A 3 18.075 3.072 -11.281 1.00 0.00 C ATOM 17 O VAL A 3 18.461 3.103 -10.128 1.00 0.00 O ATOM 18 CB VAL A 3 19.821 2.199 -12.880 1.00 0.00 C ATOM 19 CG1 VAL A 3 19.748 3.500 -13.688 1.00 0.00 C ATOM 20 CG2 VAL A 3 20.908 2.328 -11.807 1.00 0.00 C ATOM 0 HA VAL A 3 18.543 1.002 -11.623 1.00 0.00 H new ATOM 0 HB VAL A 3 20.064 1.374 -13.549 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.713 3.692 -14.156 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.983 3.407 -14.459 1.00 0.00 H new ATOM 0 HG13 VAL A 3 19.496 4.327 -13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 21.867 2.529 -12.283 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.659 3.148 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.972 1.399 -11.240 1.00 0.00 H new ATOM 30 N SER A 4 17.321 4.021 -11.776 1.00 0.00 N ATOM 31 CA SER A 4 16.909 5.178 -10.926 1.00 0.00 C ATOM 32 C SER A 4 15.903 4.710 -9.873 1.00 0.00 C ATOM 33 O SER A 4 16.092 4.915 -8.689 1.00 0.00 O ATOM 34 CB SER A 4 16.265 6.251 -11.804 1.00 0.00 C ATOM 35 OG SER A 4 16.503 7.530 -11.232 1.00 0.00 O ATOM 0 H SER A 4 16.973 4.044 -12.734 1.00 0.00 H new ATOM 0 HA SER A 4 17.786 5.592 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.677 6.208 -12.812 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.193 6.072 -11.890 1.00 0.00 H new ATOM 0 HG SER A 4 16.093 8.221 -11.793 1.00 0.00 H new ATOM 41 N GLU A 5 14.833 4.085 -10.297 1.00 0.00 N ATOM 42 CA GLU A 5 13.806 3.602 -9.327 1.00 0.00 C ATOM 43 C GLU A 5 14.432 2.567 -8.386 1.00 0.00 C ATOM 44 O GLU A 5 14.023 2.424 -7.249 1.00 0.00 O ATOM 45 CB GLU A 5 12.643 2.961 -10.092 1.00 0.00 C ATOM 46 CG GLU A 5 11.505 3.973 -10.240 1.00 0.00 C ATOM 47 CD GLU A 5 10.650 3.609 -11.455 1.00 0.00 C ATOM 48 OE1 GLU A 5 9.708 2.852 -11.286 1.00 0.00 O ATOM 49 OE2 GLU A 5 10.952 4.092 -12.534 1.00 0.00 O ATOM 0 H GLU A 5 14.627 3.889 -11.276 1.00 0.00 H new ATOM 0 HA GLU A 5 13.437 4.444 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.979 2.631 -11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.290 2.076 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.891 3.979 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.911 4.978 -10.356 1.00 0.00 H new ATOM 56 N LEU A 6 15.419 1.846 -8.854 1.00 0.00 N ATOM 57 CA LEU A 6 16.077 0.819 -7.993 1.00 0.00 C ATOM 58 C LEU A 6 16.991 1.509 -6.977 1.00 0.00 C ATOM 59 O LEU A 6 17.213 1.006 -5.892 1.00 0.00 O ATOM 60 CB LEU A 6 16.906 -0.123 -8.869 1.00 0.00 C ATOM 61 CG LEU A 6 15.985 -1.149 -9.529 1.00 0.00 C ATOM 62 CD1 LEU A 6 16.775 -1.954 -10.563 1.00 0.00 C ATOM 63 CD2 LEU A 6 15.431 -2.098 -8.463 1.00 0.00 C ATOM 0 H LEU A 6 15.798 1.925 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 6 15.315 0.248 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.439 0.446 -9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.659 -0.630 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 6 15.161 -0.632 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.118 -2.686 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.171 -1.281 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.599 -2.470 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.774 -2.830 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.256 -2.614 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.868 -1.527 -7.725 1.00 0.00 H new ATOM 75 N LEU A 7 17.519 2.656 -7.322 1.00 0.00 N ATOM 76 CA LEU A 7 18.418 3.386 -6.380 1.00 0.00 C ATOM 77 C LEU A 7 17.606 3.874 -5.179 1.00 0.00 C ATOM 78 O LEU A 7 17.933 3.588 -4.042 1.00 0.00 O ATOM 79 CB LEU A 7 19.039 4.586 -7.099 1.00 0.00 C ATOM 80 CG LEU A 7 20.402 4.903 -6.481 1.00 0.00 C ATOM 81 CD1 LEU A 7 21.232 5.722 -7.470 1.00 0.00 C ATOM 82 CD2 LEU A 7 20.204 5.708 -5.195 1.00 0.00 C ATOM 0 H LEU A 7 17.365 3.119 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 7 19.209 2.719 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.151 4.369 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.381 5.452 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 7 20.922 3.973 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 7 22.203 5.948 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.373 5.150 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.712 6.652 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.175 5.934 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 7 19.684 6.638 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.612 5.126 -4.489 1.00 0.00 H new ATOM 94 N ILE A 8 16.551 4.606 -5.426 1.00 0.00 N ATOM 95 CA ILE A 8 15.706 5.117 -4.307 1.00 0.00 C ATOM 96 C ILE A 8 15.089 3.934 -3.557 1.00 0.00 C ATOM 97 O ILE A 8 14.868 3.996 -2.362 1.00 0.00 O ATOM 98 CB ILE A 8 14.597 6.006 -4.876 1.00 0.00 C ATOM 99 CG1 ILE A 8 15.220 7.134 -5.721 1.00 0.00 C ATOM 100 CG2 ILE A 8 13.783 6.612 -3.728 1.00 0.00 C ATOM 101 CD1 ILE A 8 14.549 7.186 -7.095 1.00 0.00 C ATOM 0 H ILE A 8 16.237 4.873 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 8 16.318 5.700 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 8 13.940 5.405 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.100 8.090 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.291 6.966 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.994 7.244 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.338 5.812 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.437 7.211 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.994 7.986 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.691 6.234 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.483 7.376 -6.972 1.00 0.00 H new ATOM 113 N SER A 9 14.813 2.859 -4.250 1.00 0.00 N ATOM 114 CA SER A 9 14.212 1.666 -3.586 1.00 0.00 C ATOM 115 C SER A 9 15.216 1.078 -2.593 1.00 0.00 C ATOM 116 O SER A 9 14.845 0.552 -1.560 1.00 0.00 O ATOM 117 CB SER A 9 13.864 0.616 -4.640 1.00 0.00 C ATOM 118 OG SER A 9 13.533 -0.606 -3.994 1.00 0.00 O ATOM 0 H SER A 9 14.979 2.757 -5.251 1.00 0.00 H new ATOM 0 HA SER A 9 13.306 1.962 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.026 0.958 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.707 0.467 -5.314 1.00 0.00 H new ATOM 0 HG SER A 9 13.308 -1.281 -4.667 1.00 0.00 H new ATOM 124 N THR A 10 16.485 1.164 -2.901 1.00 0.00 N ATOM 125 CA THR A 10 17.525 0.614 -1.983 1.00 0.00 C ATOM 126 C THR A 10 17.598 1.474 -0.719 1.00 0.00 C ATOM 127 O THR A 10 17.886 0.985 0.357 1.00 0.00 O ATOM 128 CB THR A 10 18.883 0.625 -2.686 1.00 0.00 C ATOM 129 OG1 THR A 10 18.722 0.195 -4.030 1.00 0.00 O ATOM 130 CG2 THR A 10 19.845 -0.314 -1.958 1.00 0.00 C ATOM 0 H THR A 10 16.846 1.594 -3.753 1.00 0.00 H new ATOM 0 HA THR A 10 17.264 -0.409 -1.711 1.00 0.00 H new ATOM 0 HB THR A 10 19.290 1.636 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.374 0.935 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 10 20.812 -0.305 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 19.968 0.019 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.441 -1.326 -1.966 1.00 0.00 H new ATOM 138 N ALA A 11 17.341 2.751 -0.846 1.00 0.00 N ATOM 139 CA ALA A 11 17.394 3.651 0.343 1.00 0.00 C ATOM 140 C ALA A 11 16.239 3.316 1.290 1.00 0.00 C ATOM 141 O ALA A 11 16.401 3.297 2.495 1.00 0.00 O ATOM 142 CB ALA A 11 17.273 5.106 -0.115 1.00 0.00 C ATOM 0 H ALA A 11 17.096 3.209 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 11 18.341 3.511 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.312 5.765 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.096 5.345 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.325 5.246 -0.635 1.00 0.00 H new ATOM 148 N VAL A 12 15.077 3.050 0.749 1.00 0.00 N ATOM 149 CA VAL A 12 13.904 2.714 1.609 1.00 0.00 C ATOM 150 C VAL A 12 14.168 1.396 2.342 1.00 0.00 C ATOM 151 O VAL A 12 13.907 1.271 3.524 1.00 0.00 O ATOM 152 CB VAL A 12 12.657 2.573 0.735 1.00 0.00 C ATOM 153 CG1 VAL A 12 11.428 2.363 1.623 1.00 0.00 C ATOM 154 CG2 VAL A 12 12.471 3.844 -0.097 1.00 0.00 C ATOM 0 H VAL A 12 14.891 3.051 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 12 13.748 3.508 2.339 1.00 0.00 H new ATOM 0 HB VAL A 12 12.776 1.716 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.540 2.263 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.558 1.458 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.309 3.219 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.582 3.744 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.354 4.700 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.344 3.994 -0.732 1.00 0.00 H new ATOM 164 N GLN A 13 14.681 0.413 1.647 1.00 0.00 N ATOM 165 CA GLN A 13 14.964 -0.903 2.291 1.00 0.00 C ATOM 166 C GLN A 13 16.066 -0.739 3.343 1.00 0.00 C ATOM 167 O GLN A 13 16.129 -1.480 4.305 1.00 0.00 O ATOM 168 CB GLN A 13 15.419 -1.903 1.227 1.00 0.00 C ATOM 169 CG GLN A 13 15.172 -3.329 1.724 1.00 0.00 C ATOM 170 CD GLN A 13 16.260 -4.256 1.176 1.00 0.00 C ATOM 171 OE1 GLN A 13 17.383 -3.840 0.972 1.00 0.00 O ATOM 172 NE2 GLN A 13 15.971 -5.504 0.928 1.00 0.00 N ATOM 0 H GLN A 13 14.917 0.467 0.656 1.00 0.00 H new ATOM 0 HA GLN A 13 14.058 -1.270 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.877 -1.732 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.478 -1.761 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.175 -3.351 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.189 -3.673 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.028 -5.853 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.688 -6.131 0.563 1.00 0.00 H new ATOM 181 N GLY A 14 16.935 0.226 3.164 1.00 0.00 N ATOM 182 CA GLY A 14 18.038 0.441 4.149 1.00 0.00 C ATOM 183 C GLY A 14 17.455 0.934 5.475 1.00 0.00 C ATOM 184 O GLY A 14 17.781 0.425 6.532 1.00 0.00 O ATOM 0 H GLY A 14 16.927 0.874 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.586 -0.488 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.749 1.169 3.760 1.00 0.00 H new ATOM 188 N ILE A 15 16.598 1.922 5.426 1.00 0.00 N ATOM 189 CA ILE A 15 15.989 2.455 6.681 1.00 0.00 C ATOM 190 C ILE A 15 15.150 1.360 7.343 1.00 0.00 C ATOM 191 O ILE A 15 15.023 1.310 8.552 1.00 0.00 O ATOM 192 CB ILE A 15 15.101 3.658 6.346 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.930 4.712 5.606 1.00 0.00 C ATOM 194 CG2 ILE A 15 14.542 4.269 7.633 1.00 0.00 C ATOM 195 CD1 ILE A 15 15.040 5.458 4.611 1.00 0.00 C ATOM 0 H ILE A 15 16.293 2.383 4.569 1.00 0.00 H new ATOM 0 HA ILE A 15 16.776 2.769 7.366 1.00 0.00 H new ATOM 0 HB ILE A 15 14.275 3.328 5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.364 5.414 6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.759 4.236 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.912 5.124 7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.950 3.523 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.365 4.597 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.631 6.208 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.627 4.751 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.227 5.948 5.146 1.00 0.00 H new ATOM 207 N LEU A 16 14.578 0.482 6.558 1.00 0.00 N ATOM 208 CA LEU A 16 13.745 -0.614 7.133 1.00 0.00 C ATOM 209 C LEU A 16 14.653 -1.640 7.816 1.00 0.00 C ATOM 210 O LEU A 16 14.271 -2.271 8.783 1.00 0.00 O ATOM 211 CB LEU A 16 12.956 -1.295 6.011 1.00 0.00 C ATOM 212 CG LEU A 16 11.569 -0.650 5.894 1.00 0.00 C ATOM 213 CD1 LEU A 16 11.182 -0.526 4.419 1.00 0.00 C ATOM 214 CD2 LEU A 16 10.536 -1.518 6.618 1.00 0.00 C ATOM 0 H LEU A 16 14.653 0.478 5.541 1.00 0.00 H new ATOM 0 HA LEU A 16 13.052 -0.200 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.493 -1.202 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.857 -2.361 6.217 1.00 0.00 H new ATOM 0 HG LEU A 16 11.595 0.341 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.196 -0.068 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.914 0.094 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.160 -1.516 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.551 -1.058 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.513 -2.510 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.807 -1.605 7.670 1.00 0.00 H new ATOM 226 N PHE A 17 15.853 -1.807 7.318 1.00 0.00 N ATOM 227 CA PHE A 17 16.795 -2.789 7.931 1.00 0.00 C ATOM 228 C PHE A 17 17.115 -2.360 9.365 1.00 0.00 C ATOM 229 O PHE A 17 17.065 -3.156 10.285 1.00 0.00 O ATOM 230 CB PHE A 17 18.084 -2.836 7.111 1.00 0.00 C ATOM 231 CG PHE A 17 18.887 -4.055 7.501 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.688 -4.028 8.649 1.00 0.00 C ATOM 233 CD2 PHE A 17 18.830 -5.212 6.716 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.432 -5.157 9.010 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.574 -6.341 7.077 1.00 0.00 C ATOM 236 CZ PHE A 17 20.375 -6.314 8.225 1.00 0.00 C ATOM 0 H PHE A 17 16.220 -1.303 6.511 1.00 0.00 H new ATOM 0 HA PHE A 17 16.336 -3.778 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.849 -2.867 6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.669 -1.932 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.732 -3.136 9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.211 -5.234 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.051 -5.135 9.895 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.530 -7.233 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.948 -7.185 8.504 1.00 0.00 H new ATOM 246 N ALA A 18 17.444 -1.109 9.558 1.00 0.00 N ATOM 247 CA ALA A 18 17.768 -0.616 10.929 1.00 0.00 C ATOM 248 C ALA A 18 16.485 -0.514 11.759 1.00 0.00 C ATOM 249 O ALA A 18 16.517 -0.581 12.974 1.00 0.00 O ATOM 250 CB ALA A 18 18.422 0.765 10.835 1.00 0.00 C ATOM 0 H ALA A 18 17.502 -0.405 8.822 1.00 0.00 H new ATOM 0 HA ALA A 18 18.454 -1.314 11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.658 1.125 11.836 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.338 0.694 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.735 1.461 10.352 1.00 0.00 H new ATOM 256 N LEU A 19 15.355 -0.349 11.114 1.00 0.00 N ATOM 257 CA LEU A 19 14.064 -0.237 11.858 1.00 0.00 C ATOM 258 C LEU A 19 13.836 -1.498 12.700 1.00 0.00 C ATOM 259 O LEU A 19 13.976 -1.477 13.909 1.00 0.00 O ATOM 260 CB LEU A 19 12.913 -0.065 10.850 1.00 0.00 C ATOM 261 CG LEU A 19 12.088 1.191 11.179 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.485 1.069 12.585 1.00 0.00 C ATOM 263 CD2 LEU A 19 12.981 2.438 11.103 1.00 0.00 C ATOM 0 H LEU A 19 15.273 -0.287 10.099 1.00 0.00 H new ATOM 0 HA LEU A 19 14.100 0.627 12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.315 0.012 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.270 -0.945 10.871 1.00 0.00 H new ATOM 0 HG LEU A 19 11.281 1.284 10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.903 1.962 12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.838 0.193 12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.286 0.965 13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.390 3.324 11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.796 2.346 11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.391 2.531 10.097 1.00 0.00 H new ATOM 275 N LEU A 20 13.484 -2.593 12.071 1.00 0.00 N ATOM 276 CA LEU A 20 13.244 -3.854 12.839 1.00 0.00 C ATOM 277 C LEU A 20 14.557 -4.333 13.469 1.00 0.00 C ATOM 278 O LEU A 20 14.564 -4.898 14.545 1.00 0.00 O ATOM 279 CB LEU A 20 12.676 -4.950 11.920 1.00 0.00 C ATOM 280 CG LEU A 20 13.445 -4.999 10.588 1.00 0.00 C ATOM 281 CD1 LEU A 20 13.786 -6.454 10.237 1.00 0.00 C ATOM 282 CD2 LEU A 20 12.580 -4.399 9.472 1.00 0.00 C ATOM 0 H LEU A 20 13.353 -2.668 11.062 1.00 0.00 H new ATOM 0 HA LEU A 20 12.517 -3.650 13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.740 -5.918 12.418 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.620 -4.759 11.729 1.00 0.00 H new ATOM 0 HG LEU A 20 14.366 -4.424 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.330 -6.483 9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.404 -6.883 11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.866 -7.031 10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.126 -4.434 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.658 -4.972 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.341 -3.363 9.714 1.00 0.00 H new