CuA 
Cu with 3 His coordinated structure from x-ray 1SDW HF charges (see pdb for atom names)
     name type charge
     CU    CU  0.3923
     ND1   NX  0.0040
     CG1   CC  0.0071
     CB1   CT -0.2861
     HB11  HC  0.1965 
     HB12  HC  0.1965
     CD1   CW -0.1756
     HD1   H4  0.2597
     NE1   NA -0.2400
     HN1   H1  0.4070
     CE1   CR -0.0797
     HE1   H5  0.2522
     ND2   NY3 0.0397
     CG2   CC4 0.0408
     CB2   CT -0.2841
     HB21  HC  0.1945
     HB22  HC  0.1945
     CD2   CW -0.1824 
     HD2   H4  0.2547
     NE2   NA -0.2505
     HN2   H2  0.4045
     CE2   CR -0.0252 
     HE2   H5  0.2109
     ND3   NZ -0.0283
     CG3   CC  0.0306  
     CB3   CT -0.2187 
     HB31  HC  0.1509
     HB32  HC  0.1509 
     CD3   CW -0.1980
     HD3   H4  0.2557
     NE3   NA -0.2349 
     HN3   H   0.4003
     CE3   CR -0.0535 
     HE3   H5  0.2137
LOOP
ND1 CE1
ND2 CE2
ND3 CE3
IMPROPER
CE1  CD1  NE1  HE1
CG1  NE1  CD1  HD1
ND1  NE1  CE1  HN1
ND1  CD1  CG1  CB1
CE1  CG1  ND1  CU
CE2  CD2  NE2  HN2
CG2  NE2  CD2  HD2
ND2  NE2  CE2  HE2
ND2  CD2  CG2  CB2
CE2  CG2  ND2  CU
CE3  CD3  NE3  HN3
CG3  NE3  CD3  HD3
ND3  NE3  CE3  HE3
ND3  CD3  CG3  CB3
CE3  CG3  ND3   CU