You are working on the theochem/iodata repository. The source code is checked out at /testbed at commit…

You are working on the theochem/iodata repository. The source code is checked out at /testbed at commit…: a task in SWE-Lego-RL-2699 (Harbor dataset). See PDB spec: https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html HETATM