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         <PDBx:name>Brancaccio, D.</PDBx:name>
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         <PDBx:journal_abbrev>J. Med. Chem.</PDBx:journal_abbrev>
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         <PDBx:title>Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.</PDBx:title>
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         <PDBx:details>Structure-Activity Relationships and Biological Characterization of a Novel, Potent and Serum Stable C-X-C chemokine receptor type 4 (CXCR4) Antagonist</PDBx:details>
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         <PDBx:organism_scientific>Homo sapiens</PDBx:organism_scientific>
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         <PDBx:type>2D 1H-1H TOCSY</PDBx:type>
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         <PDBx:authors>Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax</PDBx:authors>
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   <PDBx:pdbx_nmr_spectrometerCategory>
      <PDBx:pdbx_nmr_spectrometer spectrometer_id="1">
         <PDBx:field_strength>700</PDBx:field_strength>
         <PDBx:manufacturer>Varian</PDBx:manufacturer>
         <PDBx:model>INOVA</PDBx:model>
      </PDBx:pdbx_nmr_spectrometer>
   </PDBx:pdbx_nmr_spectrometerCategory>
   <PDBx:pdbx_poly_seq_schemeCategory>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="ACE" seq_id="1">
         <PDBx:auth_mon_id>ACE</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>1</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>1</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>ACE</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>1</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="ARG" seq_id="2">
         <PDBx:auth_mon_id>ARG</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>2</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>2</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>ARG</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>2</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="ALA" seq_id="3">
         <PDBx:auth_mon_id>ALA</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>3</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>3</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>ALA</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>3</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="DCY" seq_id="4">
         <PDBx:auth_mon_id>CYS</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>4</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>4</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>DCY</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>4</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="ARG" seq_id="5">
         <PDBx:auth_mon_id>ARG</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>5</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>5</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>ARG</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>5</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="NAL" seq_id="6">
         <PDBx:auth_mon_id>BNA</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>6</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>6</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>NAL</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>6</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="HIS" seq_id="7">
         <PDBx:auth_mon_id>HIS</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>7</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>7</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>HIS</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>7</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
      <PDBx:pdbx_poly_seq_scheme asym_id="A" entity_id="1" mon_id="LE1" seq_id="8">
         <PDBx:auth_mon_id>PEN</PDBx:auth_mon_id>
         <PDBx:auth_seq_num>8</PDBx:auth_seq_num>
         <PDBx:hetero>n</PDBx:hetero>
         <PDBx:ndb_seq_num>8</PDBx:ndb_seq_num>
         <PDBx:pdb_ins_code xsi:nil="true" />
         <PDBx:pdb_mon_id>LE1</PDBx:pdb_mon_id>
         <PDBx:pdb_seq_num>8</PDBx:pdb_seq_num>
         <PDBx:pdb_strand_id>A</PDBx:pdb_strand_id>
      </PDBx:pdbx_poly_seq_scheme>
   </PDBx:pdbx_poly_seq_schemeCategory>
   <PDBx:pdbx_struct_assemblyCategory>
      <PDBx:pdbx_struct_assembly id="1">
         <PDBx:details>author_and_software_defined_assembly</PDBx:details>
         <PDBx:method_details>PISA</PDBx:method_details>
         <PDBx:oligomeric_count>1</PDBx:oligomeric_count>
         <PDBx:oligomeric_details>monomeric</PDBx:oligomeric_details>
      </PDBx:pdbx_struct_assembly>
   </PDBx:pdbx_struct_assemblyCategory>
   <PDBx:pdbx_struct_assembly_auth_evidenceCategory>
      <PDBx:pdbx_struct_assembly_auth_evidence assembly_id="1" id="1">
         <PDBx:experimental_support>none</PDBx:experimental_support>
      </PDBx:pdbx_struct_assembly_auth_evidence>
   </PDBx:pdbx_struct_assembly_auth_evidenceCategory>
   <PDBx:pdbx_struct_assembly_genCategory>
      <PDBx:pdbx_struct_assembly_gen assembly_id="1" asym_id_list="A" oper_expression="1"></PDBx:pdbx_struct_assembly_gen>
   </PDBx:pdbx_struct_assembly_genCategory>
   <PDBx:pdbx_struct_assembly_propCategory>
      <PDBx:pdbx_struct_assembly_prop biol_id="1" type="ABSA (A^2)">
         <PDBx:value>490</PDBx:value>
      </PDBx:pdbx_struct_assembly_prop>
      <PDBx:pdbx_struct_assembly_prop biol_id="1" type="MORE">
         <PDBx:value>1</PDBx:value>
      </PDBx:pdbx_struct_assembly_prop>
      <PDBx:pdbx_struct_assembly_prop biol_id="1" type="SSA (A^2)">
         <PDBx:value>990</PDBx:value>
      </PDBx:pdbx_struct_assembly_prop>
   </PDBx:pdbx_struct_assembly_propCategory>
   <PDBx:pdbx_struct_oper_listCategory>
      <PDBx:pdbx_struct_oper_list id="1">
         <PDBx:matrix11>1.0000000000</PDBx:matrix11>
         <PDBx:matrix12>0.0000000000</PDBx:matrix12>
         <PDBx:matrix13>0.0000000000</PDBx:matrix13>
         <PDBx:matrix21>0.0000000000</PDBx:matrix21>
         <PDBx:matrix22>1.0000000000</PDBx:matrix22>
         <PDBx:matrix23>0.0000000000</PDBx:matrix23>
         <PDBx:matrix31>0.0000000000</PDBx:matrix31>
         <PDBx:matrix32>0.0000000000</PDBx:matrix32>
         <PDBx:matrix33>1.0000000000</PDBx:matrix33>
         <PDBx:name>1_555</PDBx:name>
         <PDBx:type>identity operation</PDBx:type>
         <PDBx:vector1>0.0000000000</PDBx:vector1>
         <PDBx:vector2>0.0000000000</PDBx:vector2>
         <PDBx:vector3>0.0000000000</PDBx:vector3>
      </PDBx:pdbx_struct_oper_list>
   </PDBx:pdbx_struct_oper_listCategory>
   <PDBx:pdbx_validate_rmsd_angleCategory>
      <PDBx:pdbx_validate_rmsd_angle id="1">
         <PDBx:PDB_model_num>1</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.21</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.51</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="2">
         <PDBx:PDB_model_num>1</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.84</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.14</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="3">
         <PDBx:PDB_model_num>1</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.77</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.27</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="4">
         <PDBx:PDB_model_num>2</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.29</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.59</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="5">
         <PDBx:PDB_model_num>2</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.83</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.13</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="6">
         <PDBx:PDB_model_num>2</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.71</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.21</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="7">
         <PDBx:PDB_model_num>3</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.34</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.64</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="8">
         <PDBx:PDB_model_num>3</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.77</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.07</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="9">
         <PDBx:PDB_model_num>3</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.70</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.20</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="10">
         <PDBx:PDB_model_num>4</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.07</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.37</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="11">
         <PDBx:PDB_model_num>4</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.76</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.06</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="12">
         <PDBx:PDB_model_num>4</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.85</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.35</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="13">
         <PDBx:PDB_model_num>5</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.70</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.00</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="14">
         <PDBx:PDB_model_num>5</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.91</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.21</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="15">
         <PDBx:PDB_model_num>5</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.51</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.01</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="16">
         <PDBx:PDB_model_num>6</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.36</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.66</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="17">
         <PDBx:PDB_model_num>6</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.80</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.10</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="18">
         <PDBx:PDB_model_num>6</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.76</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.26</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="19">
         <PDBx:PDB_model_num>7</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.36</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.66</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="20">
         <PDBx:PDB_model_num>7</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.19</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.49</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="21">
         <PDBx:PDB_model_num>7</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.84</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.34</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="22">
         <PDBx:PDB_model_num>8</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.29</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.59</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="23">
         <PDBx:PDB_model_num>8</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.76</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.06</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="24">
         <PDBx:PDB_model_num>8</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.82</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.32</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="25">
         <PDBx:PDB_model_num>9</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.31</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.61</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="26">
         <PDBx:PDB_model_num>9</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.76</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>124.06</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="27">
         <PDBx:PDB_model_num>9</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.74</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.24</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="28">
         <PDBx:PDB_model_num>10</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.28</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.58</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>2</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>2</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>2</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="29">
         <PDBx:PDB_model_num>10</PDBx:PDB_model_num>
         <PDBx:angle_deviation>3.24</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>0.50</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>120.30</PDBx:angle_target_value>
         <PDBx:angle_value>123.54</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>NE</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CZ</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NH2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>ARG</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>5</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>5</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>5</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
      <PDBx:pdbx_validate_rmsd_angle id="30">
         <PDBx:PDB_model_num>10</PDBx:PDB_model_num>
         <PDBx:angle_deviation>8.94</PDBx:angle_deviation>
         <PDBx:angle_standard_deviation>1.30</PDBx:angle_standard_deviation>
         <PDBx:angle_target_value>111.50</PDBx:angle_target_value>
         <PDBx:angle_value>120.44</PDBx:angle_value>
         <PDBx:auth_asym_id_1>A</PDBx:auth_asym_id_1>
         <PDBx:auth_asym_id_2>A</PDBx:auth_asym_id_2>
         <PDBx:auth_asym_id_3>A</PDBx:auth_asym_id_3>
         <PDBx:auth_atom_id_1>ND1</PDBx:auth_atom_id_1>
         <PDBx:auth_atom_id_2>CE1</PDBx:auth_atom_id_2>
         <PDBx:auth_atom_id_3>NE2</PDBx:auth_atom_id_3>
         <PDBx:auth_comp_id_1>HIS</PDBx:auth_comp_id_1>
         <PDBx:auth_comp_id_2>HIS</PDBx:auth_comp_id_2>
         <PDBx:auth_comp_id_3>HIS</PDBx:auth_comp_id_3>
         <PDBx:auth_seq_id_1>7</PDBx:auth_seq_id_1>
         <PDBx:auth_seq_id_2>7</PDBx:auth_seq_id_2>
         <PDBx:auth_seq_id_3>7</PDBx:auth_seq_id_3>
         <PDBx:linker_flag>N</PDBx:linker_flag>
      </PDBx:pdbx_validate_rmsd_angle>
   </PDBx:pdbx_validate_rmsd_angleCategory>
   <PDBx:pdbx_validate_torsionCategory>
      <PDBx:pdbx_validate_torsion id="1">
         <PDBx:PDB_model_num>1</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-146.81</PDBx:phi>
         <PDBx:psi>-56.47</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="2">
         <PDBx:PDB_model_num>1</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-103.87</PDBx:phi>
         <PDBx:psi>-65.50</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="3">
         <PDBx:PDB_model_num>2</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-148.46</PDBx:phi>
         <PDBx:psi>-57.49</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="4">
         <PDBx:PDB_model_num>2</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-104.09</PDBx:phi>
         <PDBx:psi>-69.49</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="5">
         <PDBx:PDB_model_num>3</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-148.66</PDBx:phi>
         <PDBx:psi>-57.33</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="6">
         <PDBx:PDB_model_num>3</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-103.70</PDBx:phi>
         <PDBx:psi>-69.99</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="7">
         <PDBx:PDB_model_num>4</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-146.63</PDBx:phi>
         <PDBx:psi>-56.25</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="8">
         <PDBx:PDB_model_num>4</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-104.86</PDBx:phi>
         <PDBx:psi>-65.28</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="9">
         <PDBx:PDB_model_num>5</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-149.25</PDBx:phi>
         <PDBx:psi>-56.92</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="10">
         <PDBx:PDB_model_num>5</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-104.43</PDBx:phi>
         <PDBx:psi>-66.31</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="11">
         <PDBx:PDB_model_num>6</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-149.13</PDBx:phi>
         <PDBx:psi>-56.97</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="12">
         <PDBx:PDB_model_num>6</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-105.51</PDBx:phi>
         <PDBx:psi>-65.75</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="13">
         <PDBx:PDB_model_num>7</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-146.19</PDBx:phi>
         <PDBx:psi>-59.23</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="14">
         <PDBx:PDB_model_num>7</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-103.90</PDBx:phi>
         <PDBx:psi>-70.85</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="15">
         <PDBx:PDB_model_num>8</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-146.67</PDBx:phi>
         <PDBx:psi>-58.14</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="16">
         <PDBx:PDB_model_num>8</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-102.33</PDBx:phi>
         <PDBx:psi>-65.87</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="17">
         <PDBx:PDB_model_num>9</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-149.41</PDBx:phi>
         <PDBx:psi>-56.81</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="18">
         <PDBx:PDB_model_num>9</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-103.92</PDBx:phi>
         <PDBx:psi>-70.69</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="19">
         <PDBx:PDB_model_num>10</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>ARG</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>5</PDBx:auth_seq_id>
         <PDBx:phi>-145.91</PDBx:phi>
         <PDBx:psi>-57.27</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
      <PDBx:pdbx_validate_torsion id="20">
         <PDBx:PDB_model_num>10</PDBx:PDB_model_num>
         <PDBx:auth_asym_id>A</PDBx:auth_asym_id>
         <PDBx:auth_comp_id>NAL</PDBx:auth_comp_id>
         <PDBx:auth_seq_id>6</PDBx:auth_seq_id>
         <PDBx:phi>-105.42</PDBx:phi>
         <PDBx:psi>-65.25</PDBx:psi>
      </PDBx:pdbx_validate_torsion>
   </PDBx:pdbx_validate_torsionCategory>
   <PDBx:structCategory>
      <PDBx:struct entry_id="5OJT">
         <PDBx:pdbx_CASP_flag>N</PDBx:pdbx_CASP_flag>
         <PDBx:pdbx_descriptor>ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN</PDBx:pdbx_descriptor>
         <PDBx:title>Structure-Activity Relationships and Biological Characterization of a Novel, Potent and Serum Stable C-X-C chemokine receptor type 4 (CXCR4) Antagonist</PDBx:title>
      </PDBx:struct>
   </PDBx:structCategory>
   <PDBx:struct_asymCategory>
      <PDBx:struct_asym id="A">
         <PDBx:entity_id>1</PDBx:entity_id>
         <PDBx:pdbx_blank_PDB_chainid_flag>N</PDBx:pdbx_blank_PDB_chainid_flag>
         <PDBx:pdbx_modified>N</PDBx:pdbx_modified>
      </PDBx:struct_asym>
   </PDBx:struct_asymCategory>
   <PDBx:struct_connCategory>
      <PDBx:struct_conn id="disulf1">
         <PDBx:conn_type_id>disulf</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>2.013</PDBx:pdbx_dist_value>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>DCY</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>4</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>SG</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>DCY</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>4</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>LE1</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>8</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>SG</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>LE1</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>8</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale1">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.332</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>ACE</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>1</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>ACE</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>1</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>ARG</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>2</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>ARG</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>2</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale2">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.351</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>ALA</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>3</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>ALA</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>3</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>DCY</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>4</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>DCY</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>4</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale3">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.347</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>DCY</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>4</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>DCY</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>4</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>ARG</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>5</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>ARG</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>5</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale4">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.349</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>ARG</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>5</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>ARG</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>5</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>NAL</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>6</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>NAL</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>6</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale5">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.346</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>NAL</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>6</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>NAL</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>6</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>HIS</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>7</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>HIS</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>7</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
      <PDBx:struct_conn id="covale6">
         <PDBx:conn_type_id>covale</PDBx:conn_type_id>
         <PDBx:pdbx_dist_value>1.346</PDBx:pdbx_dist_value>
         <PDBx:pdbx_leaving_atom_flag>both</PDBx:pdbx_leaving_atom_flag>
         <PDBx:ptnr1_auth_asym_id>A</PDBx:ptnr1_auth_asym_id>
         <PDBx:ptnr1_auth_comp_id>HIS</PDBx:ptnr1_auth_comp_id>
         <PDBx:ptnr1_auth_seq_id>7</PDBx:ptnr1_auth_seq_id>
         <PDBx:ptnr1_label_asym_id>A</PDBx:ptnr1_label_asym_id>
         <PDBx:ptnr1_label_atom_id>C</PDBx:ptnr1_label_atom_id>
         <PDBx:ptnr1_label_comp_id>HIS</PDBx:ptnr1_label_comp_id>
         <PDBx:ptnr1_label_seq_id>7</PDBx:ptnr1_label_seq_id>
         <PDBx:ptnr1_symmetry>1_555</PDBx:ptnr1_symmetry>
         <PDBx:ptnr2_auth_asym_id>A</PDBx:ptnr2_auth_asym_id>
         <PDBx:ptnr2_auth_comp_id>LE1</PDBx:ptnr2_auth_comp_id>
         <PDBx:ptnr2_auth_seq_id>8</PDBx:ptnr2_auth_seq_id>
         <PDBx:ptnr2_label_asym_id>A</PDBx:ptnr2_label_asym_id>
         <PDBx:ptnr2_label_atom_id>N</PDBx:ptnr2_label_atom_id>
         <PDBx:ptnr2_label_comp_id>LE1</PDBx:ptnr2_label_comp_id>
         <PDBx:ptnr2_label_seq_id>8</PDBx:ptnr2_label_seq_id>
         <PDBx:ptnr2_symmetry>1_555</PDBx:ptnr2_symmetry>
      </PDBx:struct_conn>
   </PDBx:struct_connCategory>
   <PDBx:struct_conn_typeCategory>
      <PDBx:struct_conn_type id="disulf">
      </PDBx:struct_conn_type>
      <PDBx:struct_conn_type id="covale">
      </PDBx:struct_conn_type>
   </PDBx:struct_conn_typeCategory>
   <PDBx:struct_keywordsCategory>
      <PDBx:struct_keywords entry_id="5OJT">
         <PDBx:pdbx_keywords>PEPTIDE BINDING PROTEIN</PDBx:pdbx_keywords>
         <PDBx:text>CXCR4, PEPTIDE BINDING PROTEIN</PDBx:text>
      </PDBx:struct_keywords>
   </PDBx:struct_keywordsCategory>
   <PDBx:struct_refCategory>
      <PDBx:struct_ref id="1">
         <PDBx:db_code>5OJT</PDBx:db_code>
         <PDBx:db_name>PDB</PDBx:db_name>
         <PDBx:entity_id>1</PDBx:entity_id>
         <PDBx:pdbx_align_begin>1</PDBx:pdbx_align_begin>
         <PDBx:pdbx_db_accession>5OJT</PDBx:pdbx_db_accession>
      </PDBx:struct_ref>
   </PDBx:struct_refCategory>
   <PDBx:struct_ref_seqCategory>
      <PDBx:struct_ref_seq align_id="1">
         <PDBx:db_align_beg>1</PDBx:db_align_beg>
         <PDBx:db_align_end>8</PDBx:db_align_end>
         <PDBx:pdbx_PDB_id_code>5OJT</PDBx:pdbx_PDB_id_code>
         <PDBx:pdbx_auth_seq_align_beg>1</PDBx:pdbx_auth_seq_align_beg>
         <PDBx:pdbx_auth_seq_align_end>8</PDBx:pdbx_auth_seq_align_end>
         <PDBx:pdbx_db_accession>5OJT</PDBx:pdbx_db_accession>
         <PDBx:pdbx_strand_id>A</PDBx:pdbx_strand_id>
         <PDBx:ref_id>1</PDBx:ref_id>
         <PDBx:seq_align_beg>1</PDBx:seq_align_beg>
         <PDBx:seq_align_end>8</PDBx:seq_align_end>
      </PDBx:struct_ref_seq>
   </PDBx:struct_ref_seqCategory>
</PDBx:datablock>
