Thanks for the files. Do complain to WaveFunction. These "PDB" files are
total trash:

HETATM    1  N   UNK  0001      17.047  14.099   3.625
HETATM    2  C   UNK  0001      16.967  12.784   4.338
HETATM    3  C   UNK  0001      15.685  12.755   5.133
HETATM    4  O   UNK  0001      15.268  13.825   5.594
HETATM    5  C   UNK  0001      18.170  12.703   5.337
HETATM    6  O   UNK  0001      19.334  12.829   4.463
HETATM    7  C   UNK  0001      18.150  11.546   6.304
HETATM    8  N   UNK  0001      15.115  11.555   5.265
HETATM    9  C   UNK  0001      13.856  11.469   6.066
HETATM   10  C   UNK  0001      14.164  10.785   7.379
HETATM   11  O   UNK  0001      14.993   9.862   7.443

ATOM      1  N   THR A   1      17.047  14.099   3.625
ATOM      2  CA  THR A   1      16.967  12.784   4.338
ATOM      3  C   THR A   1      15.685  12.755   5.133


1) There is just one residue for the entire model.
2) PDB atom names are lost.

With just one residue and no atom names (CA, especially), I'm afraid these
are totally worthless.
What were they thinking????


Bob
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