Fix GemmiToFoldcomp and structcreatedb to handle CB atoms#597
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Store real C-beta in the foldcomp (
_fcz) databaseThe CB line in
GemmiToFoldcompwas commented out. Enabling it alone doesn't work: the call sits afterstructure2states, which overwritesreadStructure.cbin place with the 3Di virtual center.Moves the write above
structure2statesin chain mode, skips glycine viastd::isnan(gw.cb[r].x), keeps the old call site for interface mode.