Parsing of data.xml
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<?xml version="1.0"?>
Molecule ID: 1hca_s1
- description: Metal binding site automatically extracted from 1hca, number: 1
- site_id: 1hca_s1
List: first shell ID: 1 Chain:
- name: first shell
List: HIS ID: 94 Chain:
List: HIS ID: 96 Chain:
List: HIS ID: 119 Chain:
List: ZN ID: 1 Chain:
List: HOH ID: 279 Chain:
List: second shell ID: 2 Chain:
- name: second shell
List: PHE ID: 66 Chain:
List: ASN ID: 67 Chain:
List: GLN ID: 92 Chain:
List: PHE ID: 93 Chain:
List: GLY ID: 104 Chain:
List: GLU ID: 106 Chain:
List: ALA ID: 116 Chain:
List: GLU ID: 117 Chain:
List: LEU ID: 118 Chain:
List: VAL ID: 121 Chain:
List: VAL ID: 143 Chain:
List: LEU ID: 144 Chain:
List: GLY ID: 145 Chain:
List: THR ID: 199 Chain:
List: TRP ID: 209 Chain:
List: ASN ID: 244 Chain:
List: HOH ID: 320 Chain:
List: HOH ID: 324 Chain:
List: HOH ID: 331 Chain:
List: HOH ID: 333 Chain: