RESIDUE   ALA     13
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA  1HB  2HB  3HB  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     3HB     1 CB  
CONECT      HXT    1 OXT 
END
HET    ALA             13
HETNAM     ALA ALANINE
FORMUL      ALA    C3 H7 N1 O2

RESIDUE   ARG     27
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD  1HG  2HG  
CONECT      CD     4 CG   NE  1HD  2HD  
CONECT      NE     3 CD   CZ   HE  
CONECT      CZ     3 NE   NH1  NH2 
CONECT      NH1    3 CZ  1HH1 2HH1 
CONECT      NH2    3 CZ  1HH2 2HH2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT     1HD     1 CD  
CONECT     2HD     1 CD  
CONECT      HE     1 NE  
CONECT     1HH1    1 NH1 
CONECT     2HH1    1 NH1 
CONECT     1HH2    1 NH2 
CONECT     2HH2    1 NH2 
CONECT      HXT    1 OXT 
END
HET    ARG             27
HETNAM     ARG ARGININE
FORMUL      ARG    C6 H15 N4 O2 1+

RESIDUE   ASN     17
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   OD1  ND2 
CONECT      OD1    1 CG  
CONECT      ND2    3 CG  1HD2 2HD2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HD2    1 ND2 
CONECT     2HD2    1 ND2 
CONECT      HXT    1 OXT 
END
HET    ASN             17
HETNAM     ASN ASPARAGINE
FORMUL      ASN    C4 H8 N2 O3

RESIDUE   ASP     16
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   OD1  OD2 
CONECT      OD1    1 CG  
CONECT      OD2    2 CG   HD2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD2    1 OD2 
CONECT      HXT    1 OXT 
END
HET    ASP             16
HETNAM     ASP ASPARTIC ACID
FORMUL      ASP    C4 H7 N1 O4

RESIDUE   CYS     14
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   SG  1HB  2HB  
CONECT      SG     2 CB   HG  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HG     1 SG  
CONECT      HXT    1 OXT 
END
HET    CYS             14
HETNAM     CYS CYSTEINE
FORMUL      CYS    C3 H7 N1 O2 S1

RESIDUE   GLN     20
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD  1HG  2HG  
CONECT      CD     3 CG   OE1  NE2 
CONECT      OE1    1 CD  
CONECT      NE2    3 CD  1HE2 2HE2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT     1HE2    1 NE2 
CONECT     2HE2    1 NE2 
CONECT      HXT    1 OXT 
END
HET    GLN             20
HETNAM     GLN GLUTAMINE
FORMUL      GLN    C5 H10 N2 O3

RESIDUE   GLU     19
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD  1HG  2HG  
CONECT      CD     3 CG   OE1  OE2 
CONECT      OE1    1 CD  
CONECT      OE2    2 CD   HE2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT      HE2    1 OE2 
CONECT      HXT    1 OXT 
END
HET    GLU             19
HETNAM     GLU GLUTAMIC ACID
FORMUL      GLU    C5 H9 N1 O4

RESIDUE   GLY     10
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C   1HA  2HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT     1HA     1 CA  
CONECT     2HA     1 CA  
CONECT      HXT    1 OXT 
END
HET    GLY             10
HETNAM     GLY GLYCINE
FORMUL      GLY    C2 H5 N1 O2

RESIDUE   HIS     21
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   ND1  CD2 
CONECT      ND1    3 CG   CE1  HD1 
CONECT      CD2    3 CG   NE2  HD2 
CONECT      CE1    3 ND1  NE2  HE1 
CONECT      NE2    3 CD2  CE1  HE2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD1    1 ND1 
CONECT      HD2    1 CD2 
CONECT      HE1    1 CE1 
CONECT      HE2    1 NE2 
CONECT      HXT    1 OXT 
END
HET    HIS             21
HETNAM     HIS HISTIDINE
FORMUL      HIS    C6 H10 N3 O2 1+

RESIDUE   HID     21
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   ND1  CD2 
CONECT      ND1    3 CG   CE1  HD1 
CONECT      CD2    3 CG   NE2  HD2 
CONECT      CE1    3 ND1  NE2  HE1 
CONECT      NE2    3 CD2  CE1  HE2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD1    1 ND1 
CONECT      HD2    1 CD2 
CONECT      HE1    1 CE1 
CONECT      HE2    1 NE2 
CONECT      HXT    1 OXT 
END
HET    HID             21
HETNAM     HID HISTIDINE
FORMUL      HID    C6 H10 N3 O2 1+

RESIDUE   ILE     22
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG1  CG2  HB  
CONECT      CG1    4 CB   CD1 1HG1 2HG1 
CONECT      CG2    4 CB  1HG2 2HG2 3HG2 
CONECT      CD1    4 CG1 1HD1 2HD1 3HD1 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT      HB     1 CB  
CONECT     1HG1    1 CG1 
CONECT     2HG1    1 CG1 
CONECT     1HG2    1 CG2 
CONECT     2HG2    1 CG2 
CONECT     3HG2    1 CG2 
CONECT     1HD1    1 CD1 
CONECT     2HD1    1 CD1 
CONECT     3HD1    1 CD1 
CONECT      HXT    1 OXT 
END
HET    ILE             22
HETNAM     ILE ISOLEUCINE
FORMUL      ILE    C6 H13 N1 O2

RESIDUE   LEU     22
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD1  CD2  HG  
CONECT      CD1    4 CG  1HD1 2HD1 3HD1 
CONECT      CD2    4 CG  1HD2 2HD2 3HD2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HG     1 CG  
CONECT     1HD1    1 CD1 
CONECT     2HD1    1 CD1 
CONECT     3HD1    1 CD1 
CONECT     1HD2    1 CD2 
CONECT     2HD2    1 CD2 
CONECT     3HD2    1 CD2 
CONECT      HXT    1 OXT 
END
HET    LEU             22
HETNAM     LEU LEUCINE
FORMUL      LEU    C6 H13 N1 O2

RESIDUE   LYS     25
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD  1HG  2HG  
CONECT      CD     4 CG   CE  1HD  2HD  
CONECT      CE     4 CD   NZ  1HE  2HE  
CONECT      NZ     4 CE  1HZ  2HZ  3HZ  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT     1HD     1 CD  
CONECT     2HD     1 CD  
CONECT     1HE     1 CE  
CONECT     2HE     1 CE  
CONECT     1HZ     1 NZ  
CONECT     2HZ     1 NZ  
CONECT     3HZ     1 NZ  
CONECT      HXT    1 OXT 
END
HET    LYS             25
HETNAM     LYS LYSINE
FORMUL      LYS    C6 H15 N2 O2 1+

RESIDUE   MET     20
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   SD  1HG  2HG  
CONECT      SD     2 CG   CE  
CONECT      CE     4 SD  1HE  2HE  3HE  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT     1HE     1 CE  
CONECT     2HE     1 CE  
CONECT     3HE     1 CE  
CONECT      HXT    1 OXT 
END
HET    MET             20
HETNAM     MET METHIONINE
FORMUL      MET    C5 H11 N1 O2 S1

RESIDUE   PHE     23
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   CD1  CD2 
CONECT      CD1    3 CG   CE1  HD1 
CONECT      CD2    3 CG   CE2  HD2 
CONECT      CE1    3 CD1  CZ   HE1 
CONECT      CE2    3 CD2  CZ   HE2 
CONECT      CZ     3 CE1  CE2  HZ  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD1    1 CD1 
CONECT      HD2    1 CD2 
CONECT      HE1    1 CE1 
CONECT      HE2    1 CE2 
CONECT      HZ     1 CZ  
CONECT      HXT    1 OXT 
END
HET    PHE             23
HETNAM     PHE PHENYLALANINE
FORMUL      PHE    C9 H11 N1 O2

RESIDUE   PRO     18
CONECT      N      4 CA   CD   HT1  HT2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     4 CB   CD  1HG  2HG  
CONECT      CD     4 N    CG  1HD  2HD  
CONECT      OXT    2 C    HXT 
CONECT      HT1    1 N   
CONECT      HT2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT     1HG     1 CG  
CONECT     2HG     1 CG  
CONECT     1HD     1 CD  
CONECT     2HD     1 CD  
CONECT      HXT    1 OXT 
END
HET    PRO             18
HETNAM     PRO PROLINE
FORMUL      PRO    C5 H10 N1 O2

RESIDUE   SER     14
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   OG  1HB  2HB  
CONECT      OG     2 CB   HG  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HG     1 OG  
CONECT      HXT    1 OXT 
END
HET    SER             14
HETNAM     SER SERINE
FORMUL      SER    C3 H7 N1 O3

RESIDUE   THR     17
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   OG1  CG2  HB  
CONECT      OG1    2 CB   HG1 
CONECT      CG2    4 CB  1HG2 2HG2 3HG2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT      HB     1 CB  
CONECT      HG1    1 OG1 
CONECT     1HG2    1 CG2 
CONECT     2HG2    1 CG2 
CONECT     3HG2    1 CG2 
CONECT      HXT    1 OXT 
END
HET    THR             17
HETNAM     THR THREONINE
FORMUL      THR    C4 H9 N1 O3

RESIDUE   TRP     27
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   CD1  CD2 
CONECT      CD1    3 CG   NE1  HD1 
CONECT      CD2    3 CG   CE2  CE3 
CONECT      NE1    3 CD1  CE2  HE1 
CONECT      CE2    3 CD2  NE1  CZ2 
CONECT      CE3    3 CD2  CZ3  HE3 
CONECT      CZ2    3 CE2  CH2  HZ2 
CONECT      CZ3    3 CE3  CH2  HZ3 
CONECT      CH2    3 CZ2  CZ3  HH2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD1    1 CD1 
CONECT      HE1    1 NE1 
CONECT      HE3    1 CE3 
CONECT      HZ2    1 CZ2 
CONECT      HZ3    1 CZ3 
CONECT      HH2    1 CH2 
CONECT      HXT    1 OXT 
END
HET    TRP             27
HETNAM     TRP TRYPTOPHAN
FORMUL      TRP    C11 H12 N2 O2

RESIDUE   TYR     24
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG  1HB  2HB  
CONECT      CG     3 CB   CD1  CD2 
CONECT      CD1    3 CG   CE1  HD1 
CONECT      CD2    3 CG   CE2  HD2 
CONECT      CE1    3 CD1  CZ   HE1 
CONECT      CE2    3 CD2  CZ   HE2 
CONECT      CZ     3 CE1  CE2  OH  
CONECT      OH     2 CZ   HH  
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT     1HB     1 CB  
CONECT     2HB     1 CB  
CONECT      HD1    1 CD1 
CONECT      HD2    1 CD2 
CONECT      HE1    1 CE1 
CONECT      HE2    1 CE2 
CONECT      HH     1 OH  
CONECT      HXT    1 OXT 
END
HET    TYR             24
HETNAM     TYR TYROSINE
FORMUL      TYR    C9 H11 N1 O3

RESIDUE   VAL     19
CONECT      N      3 CA   H    HN2 
CONECT      CA     4 N    C    CB   HA  
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      CB     4 CA   CG1  CG2  HB  
CONECT      CG1    4 CB  1HG1 2HG1 3HG1 
CONECT      CG2    4 CB  1HG2 2HG2 3HG2 
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      HN2    1 N   
CONECT      HA     1 CA  
CONECT      HB     1 CB  
CONECT     1HG1    1 CG1 
CONECT     2HG1    1 CG1 
CONECT     3HG1    1 CG1 
CONECT     1HG2    1 CG2 
CONECT     2HG2    1 CG2 
CONECT     3HG2    1 CG2 
CONECT      HXT    1 OXT 
END
HET    VAL             19
HETNAM     VAL VALINE
FORMUL      VAL    C5 H11 N1 O2

RESIDUE   HOH      3
CONECT      O      2 H    H   
CONECT      H      1 O   
CONECT      H      1 O   
END
HET    HOH              3
HETNAM     HOH WATER
FORMUL      HOH    H2 O1

RESIDUE   TIP      3
CONECT      OH2    2 H    H   
CONECT      H      1 O   
CONECT      H      1 O   
END
HET    TIP              3
HETNAM     TIP WATER
FORMUL      TIP    H2 O1
 
RESIDUE   DOD      3
CONECT      O      21D   2D   
CONECT     1D      1 O   
CONECT     2D      1 O   
END
HET    DOD              3
HETNAM     DOD DEUTERATED WATER
FORMUL      DOD    D2 O1

RESIDUE   SO3      4
CONECT      S      3 O1   O2   O3  
CONECT      O1     1 S   
CONECT      O2     1 S   
CONECT      O3     1 S   
END
HET    SO3              4
HETNAM     SO3 SULFITE ION
FORMUL      SO3    O3 S1 2-

RESIDUE   SO4      5
CONECT      S      4 O1   O2   O3   O4  
CONECT      O1     1 S   
CONECT      O2     1 S   
CONECT      O3     1 S   
CONECT      O4     1 S   
END
HET    SO4              5
HETNAM     SO4 SULFATE ION
FORMUL      SO4    O4 S1 2-

RESIDUE   PO3      4
CONECT      P      3 O1   O2   O3  
CONECT      O1     1 P   
CONECT      O2     1 P   
CONECT      O3     1 P   
END
HET    PO3              4
HETNAM     PO3 PHOSPHITE ION
FORMUL      PO3    O3 P1 3-

RESIDUE   PO4      5
CONECT      P      4 O1   O2   O3   O4  
CONECT      O1     1 P   
CONECT      O2     1 P   
CONECT      O3     1 P   
CONECT      O4     1 P   
END
HET    PO4              5
HETNAM     PO4 PHOSPHATE ION
FORMUL      PO4    O4 P1 3-
