data_ALA
_chem_comp.id                                    ALA 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H11 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       A
_chem_comp.three_letter_code                     ALA 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ALA N N N 0 N N N N ALA 1
ALA CA CA C 0 N N N CA ALA 2
ALA C C C 0 N N N C ALA 3
ALA O O O 0 N Y N O ALA 4
ALA CB CB C 0 N N N CB ALA 5
ALA HA HA H 0 N N N HA ALA 6
ALA HN HN H 0 N N N HN ALA 7
ALA HB1 HB1 H 0 N N N HB1 ALA 8
ALA HB2 HB2 H 0 N N N HB2 ALA 9
ALA HB3 HB3 H 0 N N N HB3 ALA 10
ALA OT1 OT1 O 0 N Y N OT1 ALA 11
ALA OT2 OT2 O 0 N Y N OT2 ALA 12
ALA HT1 HT1 H 0 N N N HT1 ALA 13
ALA HT2 HT2 H 0 N N N HT2 ALA 14
ALA HT3 HT3 H 0 N N N HT3 ALA 15
ALA HT1 HT1 H 0 N N N HT1 ALA 16
ALA HT2 HT2 H 0 N N N HT2 ALA 17
ALA HT3 HT3 H 0 N N N HT3 ALA 18
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ALA CB CA SING N N 1
ALA N HN SING N N 2
ALA N CA SING N N 3
ALA C CA SING N N 4
ALA CA HA SING N N 5
ALA CB HB1 SING N N 6
ALA CB HB2 SING N N 7
ALA CB HB3 SING N N 8
ALA O C SING N N 9
ALA OT1 C SING N N 10
ALA OT2 C SING N N 11
ALA HT1 NH SING N N 12
ALA HT2 NH SING N N 13
ALA HT3 NH SING N N 14
data_ARG
_chem_comp.id                                    ARG 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H16 N4 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       R
_chem_comp.three_letter_code                     ARG 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ARG N N N 0 N N N N ARG 1
ARG CA CA C 0 N N N CA ARG 2
ARG C C C 0 N N N C ARG 3
ARG O O O 0 N Y N O ARG 4
ARG CB CB C 0 N N N CB ARG 5
ARG CG CG C 0 N N N CG ARG 6
ARG CD CD C 0 N N N CD ARG 7
ARG NE NE N 0 N N N NE ARG 8
ARG CZ CZ C 0 N N N CZ ARG 9
ARG NH1 NH1 N 0 N N N NH1 ARG 10
ARG NH2 NH2 N 0 N N N NH2 ARG 11
ARG HN HN H 0 N N N HN ARG 12
ARG HB1 HB1 H 0 N N N HB1 ARG 13
ARG HB2 HB2 H 0 N N N HB2 ARG 14
ARG HA HA H 0 N N N HA ARG 15
ARG HG1 HG1 H 0 N N N HG1 ARG 16
ARG HG2 HG2 H 0 N N N HG2 ARG 17
ARG HD1 HD1 H 0 N N N HD1 ARG 18
ARG HD2 HD2 H 0 N N N HD2 ARG 19
ARG HH11 HH11 H 0 N N N HH11 ARG 20
ARG HH12 HH12 H 0 N N N HH12 ARG 21
ARG HH21 HH21 H 0 N N N HH21 ARG 22
ARG HH22 HH22 H 0 N N N HH22 ARG 23
ARG HE HE H 0 N N N HE ARG 24
ARG OT1 OT1 O 0 N Y N OT1 ARG 25
ARG OT2 OT2 O 0 N Y N OT2 ARG 26
ARG HT1 HT1 H 0 N N N HT1 ARG 27
ARG HT2 HT2 H 0 N N N HT2 ARG 28
ARG HT3 HT3 H 0 N N N HT3 ARG 29
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ARG CB CA SING N N 1
ARG CG CB SING N N 2
ARG CD CG SING N N 3
ARG NE CD SING N N 4
ARG CZ NE SING N N 5
ARG NH2 CZ SING N N 6
ARG N HN SING N N 7
ARG N CA SING N N 8
ARG C CA SING N N 9
ARG CA HA SING N N 10
ARG CB HB1 SING N N 11
ARG CB HB2 SING N N 12
ARG CG HG1 SING N N 13
ARG CG HG2 SING N N 14
ARG CD HD1 SING N N 15
ARG CD HD2 SING N N 16
ARG NE HE SING N N 17
ARG NH1 HH11 SING N N 18
ARG NH1 HH12 SING N N 19
ARG NH2 HH21 SING N N 20
ARG NH2 HH22 SING N N 21
ARG O C SING N N 22
ARG CZ NH1 SING N N 23
ARG OT1 C SING N N 24
ARG OT2 C SING N N 25
ARG HT1 NH SING N N 26
ARG HT2 NH SING N N 27
ARG HT3 NH SING N N 28
data_ASN
_chem_comp.id                                    ASN 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H9 N2 O4" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       N
_chem_comp.three_letter_code                     ASN 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ASN N N N 0 N N N N ASN 1
ASN CA CA C 0 N N N CA ASN 2
ASN C C C 0 N N N C ASN 3
ASN O O O 0 N Y N O ASN 4
ASN CB CB C 0 N N N CB ASN 5
ASN CG CG C 0 N N N CG ASN 6
ASN OD1 OD1 O 0 N N N OD1 ASN 7
ASN ND2 ND2 N 0 N N N ND2 ASN 8
ASN HN HN H 0 N N N HN ASN 9
ASN HA HA H 0 N N N HA ASN 10
ASN HB1 HB1 H 0 N N N HB1 ASN 11
ASN HB2 HB2 H 0 N N N HB2 ASN 12
ASN HD21 HD21 H 0 N N N HD21 ASN 13
ASN HD22 HD22 H 0 N N N HD22 ASN 14
ASN OT1 OT1 O 0 N Y N OT1 ASN 15
ASN OT2 OT2 O 0 N Y N OT2 ASN 16
ASN HT1 HT1 H 0 N N N HT1 ASN 17
ASN HT2 HT2 H 0 N N N HT2 ASN 18
ASN HT3 HT3 H 0 N N N HT3 ASN 19
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ASN CB CA SING N N 1
ASN CG CB SING N N 2
ASN ND2 CG SING N N 3
ASN N HN SING N N 4
ASN N CA SING N N 5
ASN C CA SING N N 6
ASN CA HA SING N N 7
ASN CB HB1 SING N N 8
ASN CB HB2 SING N N 9
ASN ND2 HD21 SING N N 10
ASN ND2 HD22 SING N N 11
ASN C O SING N N 12
ASN CG OD1 SING N N 13
ASN OT1 C SING N N 14
ASN OT2 C SING N N 15
ASN HT1 NH SING N N 16
ASN HT2 NH SING N N 17
ASN HT3 NH SING N N 18
data_ASP
_chem_comp.id                                    ASP 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H7 N O5" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       D
_chem_comp.three_letter_code                     ASP 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ASP N N N 0 N N N N ASP 1
ASP CA CA C 0 N N N CA ASP 2
ASP C C C 0 N N N C ASP 3
ASP O O O 0 N Y N O ASP 4
ASP CB CB C 0 N N N CB ASP 5
ASP CG CG C 0 N N N CG ASP 6
ASP OD1 OD1 O 0 N N N OD1 ASP 7
ASP OD2 OD2 O 0 N N N OD2 ASP 8
ASP HA HA H 0 N N N HA ASP 9
ASP HB1 HB1 H 0 N N N HB1 ASP 10
ASP HB2 HB2 H 0 N N N HB2 ASP 11
ASP HN HN H 0 N N N HN ASP 12
ASP OT1 OT1 O 0 N Y N OT1 ASP 13
ASP OT2 OT2 O 0 N Y N OT2 ASP 14
ASP HT1 HT1 H 0 N N N HT1 ASP 15
ASP HT2 HT2 H 0 N N N HT2 ASP 16
ASP HT3 HT3 H 0 N N N HT3 ASP 17
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ASP CB CA SING N N 1
ASP CG CB SING N N 2
ASP OD2 CG SING N N 3
ASP N HN SING N N 4
ASP N CA SING N N 5
ASP C CA SING N N 6
ASP CA HA SING N N 7
ASP CB HB1 SING N N 8
ASP CB HB2 SING N N 9
ASP O C SING N N 10
ASP CG OD1 SING N N 11
ASP OT1 C SING N N 12
ASP OT2 C SING N N 13
ASP HT1 NH SING N N 14
ASP HT2 NH SING N N 15
ASP HT3 NH SING N N 16
data_ASPP
_chem_comp.id                                    ASPP 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H8 N O5" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       D
_chem_comp.three_letter_code                     ASPP 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ASPP N N N 0 N N N N ASPP 1
ASPP CA CA C 0 N N N CA ASPP 2
ASPP C C C 0 N N N C ASPP 3
ASPP O O O 0 N Y N O ASPP 4
ASPP CB CB C 0 N N N CB ASPP 5
ASPP CG CG C 0 N N N CG ASPP 6
ASPP OD1 OD1 O 0 N N N OD1 ASPP 7
ASPP OD2 OD2 O 0 N N N OD2 ASPP 8
ASPP HN HN H 0 N N N HN ASPP 9
ASPP HA HA H 0 N N N HA ASPP 10
ASPP HB1 HB1 H 0 N N N HB1 ASPP 11
ASPP HB2 HB2 H 0 N N N HB2 ASPP 12
ASPP HD2 HD2 H 0 N N N HD2 ASPP 13
ASPP OT1 OT1 O 0 N Y N OT1 ASPP 14
ASPP OT2 OT2 O 0 N Y N OT2 ASPP 15
ASPP HT1 HT1 H 0 N N N HT1 ASPP 16
ASPP HT2 HT2 H 0 N N N HT2 ASPP 17
ASPP HT3 HT3 H 0 N N N HT3 ASPP 18
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ASPP CB CA SING N N 1
ASPP CG CB SING N N 2
ASPP OD2 CG SING N N 3
ASPP OD2 HD2 SING N N 4
ASPP N HN SING N N 5
ASPP N CA SING N N 6
ASPP C CA SING N N 7
ASPP CA HA SING N N 8
ASPP CB HB1 SING N N 9
ASPP CB HB2 SING N N 10
ASPP O C SING N N 11
ASPP CG OD1 SING N N 12
ASPP OT1 C SING N N 13
ASPP OT2 C SING N N 14
ASPP HT1 NH SING N N 15
ASPP HT2 NH SING N N 16
ASPP HT3 NH SING N N 17
data_CYS
_chem_comp.id                                    CYS 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H8 N O3 S" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       C
_chem_comp.three_letter_code                     CYS 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
CYS N N N 0 N N N N CYS 1
CYS CA CA C 0 N N N CA CYS 2
CYS C C C 0 N N N C CYS 3
CYS O O O 0 N Y N O CYS 4
CYS CB CB C 0 N N N CB CYS 5
CYS SG SG S 0 N N N SG CYS 6
CYS HA HA H 0 N N N HA CYS 7
CYS HN HN H 0 N N N HN CYS 8
CYS HB1 HB1 H 0 N N N HB1 CYS 9
CYS HB2 HB2 H 0 N N N HB2 CYS 10
CYS HG1 HG1 H 0 N N N HG1 CYS 11
CYS OT1 OT1 O 0 N Y N OT1 CYS 12
CYS OT2 OT2 O 0 N Y N OT2 CYS 13
CYS HT1 HT1 H 0 N N N HT1 CYS 14
CYS HT2 HT2 H 0 N N N HT2 CYS 15
CYS HT3 HT3 H 0 N N N HT3 CYS 16
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
CYS CB CA SING N N 1
CYS SG CB SING N N 2
CYS N HN SING N N 3
CYS N CA SING N N 4
CYS C CA SING N N 5
CYS CA HA SING N N 6
CYS CB HB1 SING N N 7
CYS CB HB2 SING N N 8
CYS SG HG1 SING N N 9
CYS O C SING N N 10
CYS OT1 C SING N N 11
CYS OT2 C SING N N 12
CYS HT1 NH SING N N 13
CYS HT2 NH SING N N 14
CYS HT3 NH SING N N 15
data_CYS2
_chem_comp.id                                    CYS2 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H7 N O3 S" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       C
_chem_comp.three_letter_code                     CYS2 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
CYS2 N N N 0 N N N N CYS2 1
CYS2 CA CA C 0 N N N CA CYS2 2
CYS2 C C C 0 N N N C CYS2 3
CYS2 O O O 0 N Y N O CYS2 4
CYS2 CB CB C 0 N N N CB CYS2 5
CYS2 SG SG S 0 N N N SG CYS2 6
CYS2 HN HN H 0 N N N HN CYS2 7
CYS2 HA HA H 0 N N N HA CYS2 8
CYS2 HB1 HB1 H 0 N N N HB1 CYS2 9
CYS2 HB2 HB2 H 0 N N N HB2 CYS2 10
CYS2 OT1 OT1 O 0 N Y N OT1 CYS2 11
CYS2 OT2 OT2 O 0 N Y N OT2 CYS2 12
CYS2 HT1 HT1 H 0 N N N HT1 CYS2 13
CYS2 HT2 HT2 H 0 N N N HT2 CYS2 14
CYS2 HT3 HT3 H 0 N N N HT3 CYS2 15
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
CYS2 CB CA SING N N 1
CYS2 SG CB SING N N 2
CYS2 N HN SING N N 3
CYS2 N CA SING N N 4
CYS2 C CA SING N N 5
CYS2 CA HA SING N N 6
CYS2 CB HB1 SING N N 7
CYS2 CB HB2 SING N N 8
CYS2 O C SING N N 9
CYS2 OT1 C SING N N 10
CYS2 OT2 C SING N N 11
CYS2 HT1 NH SING N N 12
CYS2 HT2 NH SING N N 13
CYS2 HT3 NH SING N N 14
data_GLN
_chem_comp.id                                    GLN 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H11 N2 O4" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       N
_chem_comp.three_letter_code                     GLN 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
GLN N N N 0 N N N N GLN 1
GLN CA CA C 0 N N N CA GLN 2
GLN C C C 0 N N N C GLN 3
GLN O O O 0 N Y N O GLN 4
GLN CB CB C 0 N N N CB GLN 5
GLN CG CG C 0 N N N CG GLN 6
GLN CD CD C 0 N N N CD GLN 7
GLN OE1 OE1 O 0 N N N OE1 GLN 8
GLN NE2 NE2 N 0 N N N NE2 GLN 9
GLN HN HN H 0 N N N HN GLN 10
GLN HA HA H 0 N N N HA GLN 11
GLN HB1 HB1 H 0 N N N HB1 GLN 12
GLN HB2 HB2 H 0 N N N HB2 GLN 13
GLN HG1 HG1 H 0 N N N HG1 GLN 14
GLN HG2 HG2 H 0 N N N HG2 GLN 15
GLN HE21 HE21 H 0 N N N HE21 GLN 16
GLN HE22 HE22 H 0 N N N HE22 GLN 17
GLN OT1 OT1 O 0 N Y N OT1 GLN 18
GLN OT2 OT2 O 0 N Y N OT2 GLN 19
GLN HT1 HT1 H 0 N N N HT1 GLN 20
GLN HT2 HT2 H 0 N N N HT2 GLN 21
GLN HT3 HT3 H 0 N N N HT3 GLN 22
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
GLN CB CA SING N N 1
GLN CG CB SING N N 2
GLN CD CG SING N N 3
GLN NE2 CD SING N N 4
GLN N HN SING N N 5
GLN N CA SING N N 6
GLN C CA SING N N 7
GLN CA HA SING N N 8
GLN CB HB1 SING N N 9
GLN CB HB2 SING N N 10
GLN CG HG1 SING N N 11
GLN CG HG2 SING N N 12
GLN NE2 HE21 SING N N 13
GLN NE2 HE22 SING N N 14
GLN O C SING N N 15
GLN CD OE1 SING N N 16
GLN OT1 C SING N N 17
GLN OT2 C SING N N 18
GLN HT1 NH SING N N 19
GLN HT2 NH SING N N 20
GLN HT3 NH SING N N 21
data_GLU
_chem_comp.id                                    GLU 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H9 N O5" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       E
_chem_comp.three_letter_code                     GLU 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
GLU N N N 0 N N N N GLU 1
GLU CA CA C 0 N N N CA GLU 2
GLU C C C 0 N N N C GLU 3
GLU O O O 0 N Y N O GLU 4
GLU CB CB C 0 N N N CB GLU 5
GLU CG CG C 0 N N N CG GLU 6
GLU CD CD C 0 N N N CD GLU 7
GLU OE1 OE1 O 0 N N N OE1 GLU 8
GLU OE2 OE2 O 0 N N N OE2 GLU 9
GLU HN HN H 0 N N N HN GLU 10
GLU HA HA H 0 N N N HA GLU 11
GLU HB1 HB1 H 0 N N N HB1 GLU 12
GLU HB2 HB2 H 0 N N N HB2 GLU 13
GLU HG1 HG1 H 0 N N N HG1 GLU 14
GLU HG2 HG2 H 0 N N N HG2 GLU 15
GLU OT1 OT1 O 0 N Y N OT1 GLU 16
GLU OT2 OT2 O 0 N Y N OT2 GLU 17
GLU HT1 HT1 H 0 N N N HT1 GLU 18
GLU HT2 HT2 H 0 N N N HT2 GLU 19
GLU HT3 HT3 H 0 N N N HT3 GLU 20
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
GLU CB CA SING N N 1
GLU CG CB SING N N 2
GLU CD CG SING N N 3
GLU OE2 CD SING N N 4
GLU N HN SING N N 5
GLU N CA SING N N 6
GLU C CA SING N N 7
GLU CA HA SING N N 8
GLU CB HB1 SING N N 9
GLU CB HB2 SING N N 10
GLU CG HG1 SING N N 11
GLU CG HG2 SING N N 12
GLU O C SING N N 13
GLU CD OE1 SING N N 14
GLU OT1 C SING N N 15
GLU OT2 C SING N N 16
GLU HT1 NH SING N N 17
GLU HT2 NH SING N N 18
GLU HT3 NH SING N N 19
data_GLUP
_chem_comp.id                                    GLUP 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H10 N O5" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       E
_chem_comp.three_letter_code                     GLUP 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
GLUP N N N 0 N N N N GLUP 1
GLUP CA CA C 0 N N N CA GLUP 2
GLUP C C C 0 N N N C GLUP 3
GLUP O O O 0 N Y N O GLUP 4
GLUP CB CB C 0 N N N CB GLUP 5
GLUP CG CG C 0 N N N CG GLUP 6
GLUP CD CD C 0 N N N CD GLUP 7
GLUP OE1 OE1 O 0 N N N OE1 GLUP 8
GLUP OE2 OE2 O 0 N N N OE2 GLUP 9
GLUP HN HN H 0 N N N HN GLUP 10
GLUP HA HA H 0 N N N HA GLUP 11
GLUP HB1 HB1 H 0 N N N HB1 GLUP 12
GLUP HB2 HB2 H 0 N N N HB2 GLUP 13
GLUP HG1 HG1 H 0 N N N HG1 GLUP 14
GLUP HG2 HG2 H 0 N N N HG2 GLUP 15
GLUP HE2 HE2 H 0 N N N HE2 GLUP 16
GLUP OT1 OT1 O 0 N Y N OT1 GLUP 17
GLUP OT2 OT2 O 0 N Y N OT2 GLUP 18
GLUP HT1 HT1 H 0 N N N HT1 GLUP 19
GLUP HT2 HT2 H 0 N N N HT2 GLUP 20
GLUP HT3 HT3 H 0 N N N HT3 GLUP 21
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
GLUP CB CA SING N N 1
GLUP CG CB SING N N 2
GLUP CD CG SING N N 3
GLUP OE2 CD SING N N 4
GLUP OE2 HE2 SING N N 5
GLUP N HN SING N N 6
GLUP N CA SING N N 7
GLUP C CA SING N N 8
GLUP CA HA SING N N 9
GLUP CB HB1 SING N N 10
GLUP CB HB2 SING N N 11
GLUP CG HG1 SING N N 12
GLUP CG HG2 SING N N 13
GLUP O C SING N N 14
GLUP CD OE1 SING N N 15
GLUP OT1 C SING N N 16
GLUP OT2 C SING N N 17
GLUP HT1 NH SING N N 18
GLUP HT2 NH SING N N 19
GLUP HT3 NH SING N N 20
data_GLY
_chem_comp.id                                    GLY 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C2 H6 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       G
_chem_comp.three_letter_code                     GLY 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
GLY N N N 0 N N N N GLY 1
GLY HN HN H 0 N N N HN GLY 2
GLY CA CA C 0 N N N CA GLY 3
GLY HA1 HA1 H 0 N N N HA1 GLY 4
GLY HA2 HA2 H 0 N N N HA2 GLY 5
GLY C C C 0 N N N C GLY 6
GLY O O O 0 N Y N O GLY 7
GLY OT1 OT1 O 0 N Y N OT1 GLY 8
GLY OT2 OT2 O 0 N Y N OT2 GLY 9
GLY HT1 HT1 H 0 N N N HT1 GLY 10
GLY HT2 HT2 H 0 N N N HT2 GLY 11
GLY HT3 HT3 H 0 N N N HT3 GLY 12
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
GLY N HN SING N N 1
GLY N CA SING N N 2
GLY C CA SING N N 3
GLY CA HA1 SING N N 4
GLY CA HA2 SING N N 5
GLY O C SING N N 6
GLY OT1 C SING N N 7
GLY OT2 C SING N N 8
GLY HT1 NH SING N N 9
GLY HT2 NH SING N N 10
GLY HT3 NH SING N N 11
data_HSD
_chem_comp.id                                    HSD 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H10 N3 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       H
_chem_comp.three_letter_code                     HSD 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
HSD N N N 0 N N N N HSD 1
HSD CA CA C 0 N N N CA HSD 2
HSD C C C 0 N N N C HSD 3
HSD O O O 0 N Y N O HSD 4
HSD CB CB C 0 N N N CB HSD 5
HSD ND1 ND1 N 0 N N N ND1 HSD 6
HSD CG CG C 0 N N N CG HSD 7
HSD CE1 CE1 C 0 N N N CE1 HSD 8
HSD NE2 NE2 N 0 N N N NE2 HSD 9
HSD CD2 CD2 C 0 N N N CD2 HSD 10
HSD HA HA H 0 N N N HA HSD 11
HSD HN HN H 0 N N N HN HSD 12
HSD HB1 HB1 H 0 N N N HB1 HSD 13
HSD HB2 HB2 H 0 N N N HB2 HSD 14
HSD HD1 HD1 H 0 N N N HD1 HSD 15
HSD HE1 HE1 H 0 N N N HE1 HSD 16
HSD HD2 HD2 H 0 N N N HD2 HSD 17
HSD OT1 OT1 O 0 N Y N OT1 HSD 18
HSD OT2 OT2 O 0 N Y N OT2 HSD 19
HSD HT1 HT1 H 0 N N N HT1 HSD 20
HSD HT2 HT2 H 0 N N N HT2 HSD 21
HSD HT3 HT3 H 0 N N N HT3 HSD 22
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
HSD CB CA SING N N 1
HSD CG CB SING N N 2
HSD ND1 CG SING N N 3
HSD CE1 ND1 SING N N 4
HSD NE2 CD2 SING N N 5
HSD N HN SING N N 6
HSD N CA SING N N 7
HSD C CA SING N N 8
HSD CA HA SING N N 9
HSD CB HB1 SING N N 10
HSD CB HB2 SING N N 11
HSD ND1 HD1 SING N N 12
HSD CD2 HD2 SING N N 13
HSD CE1 HE1 SING N N 14
HSD O C SING N N 15
HSD CG CD2 SING N N 16
HSD CE1 NE2 SING N N 17
HSD OT1 C SING N N 18
HSD OT2 C SING N N 19
HSD HT1 NH SING N N 20
HSD HT2 NH SING N N 21
HSD HT3 NH SING N N 22
data_HSE
_chem_comp.id                                    HSE 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H10 N3 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       H
_chem_comp.three_letter_code                     HSE 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
HSE N N N 0 N N N N HSE 1
HSE CA CA C 0 N N N CA HSE 2
HSE C C C 0 N N N C HSE 3
HSE O O O 0 N Y N O HSE 4
HSE HA HA H 0 N N N HA HSE 5
HSE CB CB C 0 N N N CB HSE 6
HSE CG CG C 0 N N N CG HSE 7
HSE ND1 ND1 N 0 N N N ND1 HSE 8
HSE CE1 CE1 C 0 N N N CE1 HSE 9
HSE NE2 NE2 N 0 N N N NE2 HSE 10
HSE CD2 CD2 C 0 N N N CD2 HSE 11
HSE HB1 HB1 H 0 N N N HB1 HSE 12
HSE HB2 HB2 H 0 N N N HB2 HSE 13
HSE HN HN H 0 N N N HN HSE 14
HSE HE1 HE1 H 0 N N N HE1 HSE 15
HSE HE2 HE2 H 0 N N N HE2 HSE 16
HSE HD2 HD2 H 0 N N N HD2 HSE 17
HSE OT1 OT1 O 0 N Y N OT1 HSE 18
HSE OT2 OT2 O 0 N Y N OT2 HSE 19
HSE HT1 HT1 H 0 N N N HT1 HSE 20
HSE HT2 HT2 H 0 N N N HT2 HSE 21
HSE HT3 HT3 H 0 N N N HT3 HSE 22
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
HSE CB CA SING N N 1
HSE CG CB SING N N 2
HSE ND1 CG SING N N 3
HSE NE2 CD2 SING N N 4
HSE N HN SING N N 5
HSE N CA SING N N 6
HSE C CA SING N N 7
HSE NE2 CE1 SING N N 8
HSE CA HA SING N N 9
HSE CB HB1 SING N N 10
HSE CB HB2 SING N N 11
HSE NE2 HE2 SING N N 12
HSE CD2 HD2 SING N N 13
HSE CE1 HE1 SING N N 14
HSE O C SING N N 15
HSE CD2 CG SING N N 16
HSE CE1 ND1 SING N N 17
HSE OT1 C SING N N 18
HSE OT2 C SING N N 19
HSE HT1 NH SING N N 20
HSE HT2 NH SING N N 21
HSE HT3 NH SING N N 22
data_HSP
_chem_comp.id                                    HSP 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H11 N3 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       H
_chem_comp.three_letter_code                     HSP 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
HSP N N N 0 N N N N HSP 1
HSP CA CA C 0 N N N CA HSP 2
HSP C C C 0 N N N C HSP 3
HSP O O O 0 N Y N O HSP 4
HSP CB CB C 0 N N N CB HSP 5
HSP CD2 CD2 C 0 N N N CD2 HSP 6
HSP CG CG C 0 N N N CG HSP 7
HSP NE2 NE2 N 0 N N N NE2 HSP 8
HSP ND1 ND1 N 0 N N N ND1 HSP 9
HSP CE1 CE1 C 0 N N N CE1 HSP 10
HSP HB1 HB1 H 0 N N N HB1 HSP 11
HSP HB2 HB2 H 0 N N N HB2 HSP 12
HSP HA HA H 0 N N N HA HSP 13
HSP HD2 HD2 H 0 N N N HD2 HSP 14
HSP HE2 HE2 H 0 N N N HE2 HSP 15
HSP HD1 HD1 H 0 N N N HD1 HSP 16
HSP HE1 HE1 H 0 N N N HE1 HSP 17
HSP HN HN H 0 N N N HN HSP 18
HSP OT1 OT1 O 0 N Y N OT1 HSP 19
HSP OT2 OT2 O 0 N Y N OT2 HSP 20
HSP HT1 HT1 H 0 N N N HT1 HSP 21
HSP HT2 HT2 H 0 N N N HT2 HSP 22
HSP HT3 HT3 H 0 N N N HT3 HSP 23
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
HSP CB CA SING N N 1
HSP CG CB SING N N 2
HSP ND1 CG SING N N 3
HSP CE1 ND1 SING N N 4
HSP NE2 CD2 SING N N 5
HSP N HN SING N N 6
HSP N CA SING N N 7
HSP C CA SING N N 8
HSP CA HA SING N N 9
HSP CB HB1 SING N N 10
HSP CB HB2 SING N N 11
HSP ND1 HD1 SING N N 12
HSP NE2 HE2 SING N N 13
HSP CD2 HD2 SING N N 14
HSP CE1 HE1 SING N N 15
HSP O C SING N N 16
HSP CD2 CG SING N N 17
HSP NE2 CE1 SING N N 18
HSP OT1 C SING N N 19
HSP OT2 C SING N N 20
HSP HT1 NH SING N N 21
HSP HT2 NH SING N N 22
HSP HT3 NH SING N N 23
data_ILE
_chem_comp.id                                    ILE 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H14 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       I
_chem_comp.three_letter_code                     ILE 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ILE N N N 0 N N N N ILE 1
ILE CA CA C 0 N N N CA ILE 2
ILE C C C 0 N N N C ILE 3
ILE O O O 0 N Y N O ILE 4
ILE CB CB C 0 N N N CB ILE 5
ILE CG2 CG2 C 0 N N N CG2 ILE 6
ILE CG1 CG1 C 0 N N N CG1 ILE 7
ILE CD CD1 C 0 N N N CD ILE 8
ILE HA HA H 0 N N N HA ILE 9
ILE HB HB H 0 N N N HB ILE 10
ILE HG21 HG21 H 0 N N N HG21 ILE 11
ILE HG22 HG22 H 0 N N N HG22 ILE 12
ILE HG23 HG23 H 0 N N N HG23 ILE 13
ILE HG11 HG11 H 0 N N N HG11 ILE 14
ILE HG12 HG12 H 0 N N N HG12 ILE 15
ILE HD1 HD1 H 0 N N N HD1 ILE 16
ILE HD2 HD2 H 0 N N N HD2 ILE 17
ILE HD3 HD3 H 0 N N N HD3 ILE 18
ILE HN HN H 0 N N N HN ILE 19
ILE OT1 OT1 O 0 N Y N OT1 ILE 20
ILE OT2 OT2 O 0 N Y N OT2 ILE 21
ILE HT1 HT1 H 0 N N N HT1 ILE 22
ILE HT2 HT2 H 0 N N N HT2 ILE 23
ILE HT3 HT3 H 0 N N N HT3 ILE 24
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
ILE CB CA SING N N 1
ILE CG1 CB SING N N 2
ILE CG2 CB SING N N 3
ILE CD CG1 SING N N 4
ILE N HN SING N N 5
ILE N CA SING N N 6
ILE C CA SING N N 7
ILE CA HA SING N N 8
ILE CB HB SING N N 9
ILE CG1 HG11 SING N N 10
ILE CG1 HG12 SING N N 11
ILE CG2 HG21 SING N N 12
ILE CG2 HG22 SING N N 13
ILE CG2 HG23 SING N N 14
ILE CD HD1 SING N N 15
ILE CD HD2 SING N N 16
ILE CD HD3 SING N N 17
ILE O C SING N N 18
ILE OT1 C SING N N 19
ILE OT2 C SING N N 20
ILE HT1 NH SING N N 21
ILE HT2 NH SING N N 22
ILE HT3 NH SING N N 23
data_LEU
_chem_comp.id                                    LEU 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H14 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       L
_chem_comp.three_letter_code                     LEU 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
LEU N N N 0 N N N N LEU 1
LEU CA CA C 0 N N N CA LEU 2
LEU C C C 0 N N N C LEU 3
LEU O O O 0 N Y N O LEU 4
LEU CB CB C 0 N N N CB LEU 5
LEU CG CG C 0 N N N CG LEU 6
LEU CD1 CD1 C 0 N N N CD1 LEU 7
LEU CD2 CD2 C 0 N N N CD2 LEU 8
LEU HB1 HB1 H 0 N N N HB1 LEU 9
LEU HB2 HB2 H 0 N N N HB2 LEU 10
LEU HA HA H 0 N N N HA LEU 11
LEU HG HG H 0 N N N HG LEU 12
LEU HD11 HD11 H 0 N N N HD11 LEU 13
LEU HD12 HD12 H 0 N N N HD12 LEU 14
LEU HD13 HD13 H 0 N N N HD13 LEU 15
LEU HD21 HD21 H 0 N N N HD21 LEU 16
LEU HD22 HD22 H 0 N N N HD22 LEU 17
LEU HD23 HD23 H 0 N N N HD23 LEU 18
LEU HN HN H 0 N N N HN LEU 19
LEU OT1 OT1 O 0 N Y N OT1 LEU 20
LEU OT2 OT2 O 0 N Y N OT2 LEU 21
LEU HT1 HT1 H 0 N N N HT1 LEU 22
LEU HT2 HT2 H 0 N N N HT2 LEU 23
LEU HT3 HT3 H 0 N N N HT3 LEU 24
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
LEU CB CA SING N N 1
LEU CG CB SING N N 2
LEU CD1 CG SING N N 3
LEU CD2 CG SING N N 4
LEU N HN SING N N 5
LEU N CA SING N N 6
LEU C CA SING N N 7
LEU CA HA SING N N 8
LEU CB HB1 SING N N 9
LEU CB HB2 SING N N 10
LEU CG HG SING N N 11
LEU CD1 HD11 SING N N 12
LEU CD1 HD12 SING N N 13
LEU CD1 HD13 SING N N 14
LEU CD2 HD21 SING N N 15
LEU CD2 HD22 SING N N 16
LEU CD2 HD23 SING N N 17
LEU O C SING N N 18
LEU OT1 C SING N N 19
LEU OT2 C SING N N 20
LEU HT1 NH SING N N 21
LEU HT2 NH SING N N 22
LEU HT3 NH SING N N 23
data_LYS
_chem_comp.id                                    LYS 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H16 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       K
_chem_comp.three_letter_code                     LYS 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
LYS N N N 0 N N N N LYS 1
LYS CA CA C 0 N N N CA LYS 2
LYS C C C 0 N N N C LYS 3
LYS O O O 0 N Y N O LYS 4
LYS CB CB C 0 N N N CB LYS 5
LYS CG CG C 0 N N N CG LYS 6
LYS CD CD C 0 N N N CD LYS 7
LYS CE CE C 0 N N N CE LYS 8
LYS NZ NZ N 0 N N N NZ LYS 9
LYS HA HA H 0 N N N HA LYS 10
LYS HB1 HB1 H 0 N N N HB1 LYS 11
LYS HB2 HB2 H 0 N N N HB2 LYS 12
LYS HG1 HG1 H 0 N N N HG1 LYS 13
LYS HG2 HG2 H 0 N N N HG2 LYS 14
LYS HD1 HD1 H 0 N N N HD1 LYS 15
LYS HD2 HD2 H 0 N N N HD2 LYS 16
LYS HE1 HE1 H 0 N N N HE1 LYS 17
LYS HE2 HE2 H 0 N N N HE2 LYS 18
LYS HZ1 HZ1 H 0 N N N HZ1 LYS 19
LYS HZ2 HZ2 H 0 N N N HZ2 LYS 20
LYS HZ3 HZ3 H 0 N N N HZ3 LYS 21
LYS HN HN H 0 N N N HN LYS 22
LYS OT1 OT1 O 0 N Y N OT1 LYS 23
LYS OT2 OT2 O 0 N Y N OT2 LYS 24
LYS HT1 HT1 H 0 N N N HT1 LYS 25
LYS HT2 HT2 H 0 N N N HT2 LYS 26
LYS HT3 HT3 H 0 N N N HT3 LYS 27
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
LYS CB CA SING N N 1
LYS CG CB SING N N 2
LYS CD CG SING N N 3
LYS CE CD SING N N 4
LYS NZ CE SING N N 5
LYS N HN SING N N 6
LYS N CA SING N N 7
LYS C CA SING N N 8
LYS CA HA SING N N 9
LYS CB HB1 SING N N 10
LYS CB HB2 SING N N 11
LYS CG HG1 SING N N 12
LYS CG HG2 SING N N 13
LYS CD HD1 SING N N 14
LYS CD HD2 SING N N 15
LYS CE HE1 SING N N 16
LYS CE HE2 SING N N 17
LYS O C SING N N 18
LYS NZ HZ1 SING N N 19
LYS NZ HZ2 SING N N 20
LYS NZ HZ3 SING N N 21
LYS OT1 C SING N N 22
LYS OT2 C SING N N 23
LYS HT1 NH SING N N 24
LYS HT2 NH SING N N 25
LYS HT3 NH SING N N 26
data_LSN
_chem_comp.id                                    LSN 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H15 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       L
_chem_comp.three_letter_code                     LSN 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
LSN N N N 0 N N N N LSN 1
LSN CA CA C 0 N N N CA LSN 2
LSN C C C 0 N N N C LSN 3
LSN O O O 0 N Y N O LSN 4
LSN CB CB C 0 N N N CB LSN 5
LSN CG CG C 0 N N N CG LSN 6
LSN CD CD C 0 N N N CD LSN 7
LSN CE CE C 0 N N N CE LSN 8
LSN NZ NZ N 0 N N N NZ LSN 9
LSN HA HA H 0 N N N HA LSN 10
LSN HB1 HB1 H 0 N N N HB1 LSN 11
LSN HB2 HB2 H 0 N N N HB2 LSN 12
LSN HG1 HG1 H 0 N N N HG1 LSN 13
LSN HG2 HG2 H 0 N N N HG2 LSN 14
LSN HD1 HD1 H 0 N N N HD1 LSN 15
LSN HD2 HD2 H 0 N N N HD2 LSN 16
LSN HE1 HE1 H 0 N N N HE1 LSN 17
LSN HE2 HE2 H 0 N N N HE2 LSN 18
LSN HZ1 HZ1 H 0 N N N HZ1 LSN 19
LSN HZ2 HZ2 H 0 N N N HZ2 LSN 20
LSN HN HN H 0 N N N HN LSN 21
LSN OT1 OT1 O 0 N Y N OT1 LSN 22
LSN OT2 OT2 O 0 N Y N OT2 LSN 23
LSN HT1 HT1 H 0 N N N HT1 LSN 24
LSN HT2 HT2 H 0 N N N HT2 LSN 25
LSN HT3 HT3 H 0 N N N HT3 LSN 26
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
LSN CB CA SING N N 1
LSN CG CB SING N N 2
LSN CD CG SING N N 3
LSN CE CD SING N N 4
LSN NZ CE SING N N 5
LSN N HN SING N N 6
LSN N CA SING N N 7
LSN C CA SING N N 8
LSN CA HA SING N N 9
LSN CB HB1 SING N N 10
LSN CB HB2 SING N N 11
LSN CG HG1 SING N N 12
LSN CG HG2 SING N N 13
LSN CD HD1 SING N N 14
LSN CD HD2 SING N N 15
LSN CE HE1 SING N N 16
LSN CE HE2 SING N N 17
LSN O C SING N N 18
LSN NZ HZ1 SING N N 19
LSN NZ HZ2 SING N N 20
LSN OT1 C SING N N 21
LSN OT2 C SING N N 22
LSN HT1 NH SING N N 23
LSN HT2 NH SING N N 24
LSN HT3 NH SING N N 25
data_MET
_chem_comp.id                                    MET 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H12 N O3 S" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       M
_chem_comp.three_letter_code                     MET 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
MET N N N 0 N N N N MET 1
MET CA CA C 0 N N N CA MET 2
MET C C C 0 N N N C MET 3
MET O O O 0 N Y N O MET 4
MET CB CB C 0 N N N CB MET 5
MET CG CG C 0 N N N CG MET 6
MET SD SD S 0 N N N SD MET 7
MET CE CE C 0 N N N CE MET 8
MET HA HA H 0 N N N HA MET 9
MET HB1 HB1 H 0 N N N HB1 MET 10
MET HB2 HB2 H 0 N N N HB2 MET 11
MET HG1 HG1 H 0 N N N HG1 MET 12
MET HG2 HG2 H 0 N N N HG2 MET 13
MET HE1 HE1 H 0 N N N HE1 MET 14
MET HE2 HE2 H 0 N N N HE2 MET 15
MET HE3 HE3 H 0 N N N HE3 MET 16
MET HN HN H 0 N N N HN MET 17
MET OT1 OT1 O 0 N Y N OT1 MET 18
MET OT2 OT2 O 0 N Y N OT2 MET 19
MET HT1 HT1 H 0 N N N HT1 MET 20
MET HT2 HT2 H 0 N N N HT2 MET 21
MET HT3 HT3 H 0 N N N HT3 MET 22
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
MET CB CA SING N N 1
MET CG CB SING N N 2
MET SD CG SING N N 3
MET CE SD SING N N 4
MET N HN SING N N 5
MET N CA SING N N 6
MET C CA SING N N 7
MET CA HA SING N N 8
MET CB HB1 SING N N 9
MET CB HB2 SING N N 10
MET CG HG1 SING N N 11
MET CG HG2 SING N N 12
MET CE HE1 SING N N 13
MET CE HE2 SING N N 14
MET CE HE3 SING N N 15
MET O C SING N N 16
MET OT1 C SING N N 17
MET OT2 C SING N N 18
MET HT1 NH SING N N 19
MET HT2 NH SING N N 20
MET HT3 NH SING N N 21
data_PHE
_chem_comp.id                                    PHE 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C9 H12 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       F
_chem_comp.three_letter_code                     PHE 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
PHE N N N 0 N N N N PHE 1
PHE CA CA C 0 N N N CA PHE 2
PHE C C C 0 N N N C PHE 3
PHE O O O 0 N Y N O PHE 4
PHE CB CB C 0 N N N CB PHE 5
PHE CG CG C 0 N N N CG PHE 6
PHE CD1 CD1 C 0 N N N CD1 PHE 7
PHE CE1 CE1 C 0 N N N CE1 PHE 8
PHE CZ CZ C 0 N N N CZ PHE 9
PHE CD2 CD2 C 0 N N N CD2 PHE 10
PHE CE2 CE2 C 0 N N N CE2 PHE 11
PHE HA HA H 0 N N N HA PHE 12
PHE HB1 HB1 H 0 N N N HB1 PHE 13
PHE HB2 HB2 H 0 N N N HB2 PHE 14
PHE HD1 HD1 H 0 N N N HD1 PHE 15
PHE HE1 HE1 H 0 N N N HE1 PHE 16
PHE HZ HZ H 0 N N N HZ PHE 17
PHE HD2 HD2 H 0 N N N HD2 PHE 18
PHE HE2 HE2 H 0 N N N HE2 PHE 19
PHE HN HN H 0 N N N HN PHE 20
PHE OT1 OT1 O 0 N Y N OT1 PHE 21
PHE OT2 OT2 O 0 N Y N OT2 PHE 22
PHE HT1 HT1 H 0 N N N HT1 PHE 23
PHE HT2 HT2 H 0 N N N HT2 PHE 24
PHE HT3 HT3 H 0 N N N HT3 PHE 25
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
PHE CB CA SING N N 1
PHE CG CB SING N N 2
PHE CD2 CG SING N N 3
PHE CE1 CD1 SING N N 4
PHE CZ CE2 SING N N 5
PHE N HN SING N N 6
PHE N CA SING N N 7
PHE C CA SING N N 8
PHE CA HA SING N N 9
PHE CB HB1 SING N N 10
PHE CB HB2 SING N N 11
PHE CD1 HD1 SING N N 12
PHE CD2 HD2 SING N N 13
PHE CE1 HE1 SING N N 14
PHE O C SING N N 15
PHE CD1 CG SING N N 16
PHE CZ CE1 SING N N 17
PHE CE2 CD2 SING N N 18
PHE CE2 HE2 SING N N 19
PHE CZ HZ SING N N 20
PHE OT1 C SING N N 21
PHE OT2 C SING N N 22
PHE HT1 NH SING N N 23
PHE HT2 NH SING N N 24
PHE HT3 NH SING N N 25
data_PRO
_chem_comp.id                                    PRO 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H10 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       P
_chem_comp.three_letter_code                     PRO 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
PRO N N N 0 N N N N PRO 1
PRO CD CD C 0 N N N CD PRO 2
PRO CA CA C 0 N N N CA PRO 3
PRO C C C 0 N N N C PRO 4
PRO O O O 0 N Y N O PRO 5
PRO CB CB C 0 N N N CB PRO 6
PRO CG CG C 0 N N N CG PRO 7
PRO HA HA H 0 N N N HA PRO 8
PRO HB1 HB1 H 0 N N N HB1 PRO 9
PRO HB2 HB2 H 0 N N N HB2 PRO 10
PRO HG1 HG1 H 0 N N N HG1 PRO 11
PRO HG2 HG2 H 0 N N N HG2 PRO 12
PRO HD1 HD1 H 0 N N N HD1 PRO 13
PRO HD2 HD2 H 0 N N N HD2 PRO 14
PRO OT1 OT1 O 0 N Y N OT1 PRO 15
PRO OT2 OT2 O 0 N Y N OT2 PRO 16
PRO HT1 HT1 H 0 N N N HT1 PRO 17
PRO HT2 HT2 H 0 N N N HT2 PRO 18
PRO HT3 HT3 H 0 N N N HT3 PRO 19
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
PRO C CA SING N N 1
PRO N CA SING N N 2
PRO CA CB SING N N 3
PRO CB CG SING N N 4
PRO CG CD SING N N 5
PRO N CD SING N N 6
PRO HA CA SING N N 7
PRO HG1 CG SING N N 8
PRO HG2 CG SING N N 9
PRO HD1 CD SING N N 10
PRO HD2 CD SING N N 11
PRO HB1 CB SING N N 12
PRO HB2 CB SING N N 13
PRO O C SING N N 14
PRO OT1 C SING N N 15
PRO OT2 C SING N N 16
PRO HT1 NH SING N N 17
PRO HT2 NH SING N N 18
PRO HT3 NH SING N N 19
data_SER
_chem_comp.id                                    SER 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H8 N O4" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       S
_chem_comp.three_letter_code                     SER 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
SER N N N 0 N N N N SER 1
SER CA CA C 0 N N N CA SER 2
SER C C C 0 N N N C SER 3
SER O O O 0 N Y N O SER 4
SER CB CB C 0 N N N CB SER 5
SER OG OG O 0 N N N OG SER 6
SER HA HA H 0 N N N HA SER 7
SER HB1 HB1 H 0 N N N HB1 SER 8
SER HB2 HB2 H 0 N N N HB2 SER 9
SER HG1 HG1 H 0 N N N HG1 SER 10
SER HN HN H 0 N N N HN SER 11
SER OT1 OT1 O 0 N Y N OT1 SER 12
SER OT2 OT2 O 0 N Y N OT2 SER 13
SER HT1 HT1 H 0 N N N HT1 SER 14
SER HT2 HT2 H 0 N N N HT2 SER 15
SER HT3 HT3 H 0 N N N HT3 SER 16
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
SER CB CA SING N N 1
SER OG CB SING N N 2
SER N HN SING N N 3
SER N CA SING N N 4
SER C CA SING N N 5
SER CA HA SING N N 6
SER CB HB1 SING N N 7
SER CB HB2 SING N N 8
SER OG HG1 SING N N 9
SER O C SING N N 10
SER OT1 C SING N N 11
SER OT2 C SING N N 12
SER HT1 NH SING N N 13
SER HT2 NH SING N N 14
SER HT3 NH SING N N 15
data_THR
_chem_comp.id                                    THR 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H10 N O4" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       T
_chem_comp.three_letter_code                     THR 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
THR N N N 0 N N N N THR 1
THR CA CA C 0 N N N CA THR 2
THR C C C 0 N N N C THR 3
THR O O O 0 N Y N O THR 4
THR CB CB C 0 N N N CB THR 5
THR OG1 OG1 O 0 N N N OG1 THR 6
THR CG2 CG2 C 0 N N N CG2 THR 7
THR HA HA H 0 N N N HA THR 8
THR HB HB H 0 N N N HB THR 9
THR HG1 HG1 H 0 N N N HG1 THR 10
THR HG21 HG21 H 0 N N N HG21 THR 11
THR HG22 HG22 H 0 N N N HG22 THR 12
THR HG23 HG23 H 0 N N N HG23 THR 13
THR HN HN H 0 N N N HN THR 14
THR OT1 OT1 O 0 N Y N OT1 THR 15
THR OT2 OT2 O 0 N Y N OT2 THR 16
THR HT1 HT1 H 0 N N N HT1 THR 17
THR HT2 HT2 H 0 N N N HT2 THR 18
THR HT3 HT3 H 0 N N N HT3 THR 19
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
THR CB CA SING N N 1
THR OG1 CB SING N N 2
THR CG2 CB SING N N 3
THR N HN SING N N 4
THR N CA SING N N 5
THR C CA SING N N 6
THR CA HA SING N N 7
THR CB HB SING N N 8
THR OG1 HG1 SING N N 9
THR CG2 HG21 SING N N 10
THR CG2 HG22 SING N N 11
THR CG2 HG23 SING N N 12
THR O C SING N N 13
THR OT1 C SING N N 14
THR OT2 C SING N N 15
THR HT1 NH SING N N 16
THR HT2 NH SING N N 17
THR HT3 NH SING N N 18
data_TRP
_chem_comp.id                                    TRP 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C11 H13 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       W
_chem_comp.three_letter_code                     TRP 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
TRP N N N 0 N N N N TRP 1
TRP CA CA C 0 N N N CA TRP 2
TRP C C C 0 N N N C TRP 3
TRP O O O 0 N Y N O TRP 4
TRP HA HA H 0 N N N HA TRP 5
TRP CB CB C 0 N N N CB TRP 6
TRP CG CG C 0 N N N CG TRP 7
TRP CD1 CD1 C 0 N N N CD1 TRP 8
TRP NE1 NE1 N 0 N N N NE1 TRP 9
TRP CE2 CE2 C 0 N N N CE2 TRP 10
TRP CD2 CD2 C 0 N N N CD2 TRP 11
TRP CE3 CE3 C 0 N N N CE3 TRP 12
TRP CZ3 CZ3 C 0 N N N CZ3 TRP 13
TRP CZ2 CZ2 C 0 N N N CZ2 TRP 14
TRP CH2 CH2 C 0 N N N CH2 TRP 15
TRP HB1 HB1 H 0 N N N HB1 TRP 16
TRP HB2 HB2 H 0 N N N HB2 TRP 17
TRP HD1 HD1 H 0 N N N HD1 TRP 18
TRP HE1 HE1 H 0 N N N HE1 TRP 19
TRP HE3 HE3 H 0 N N N HE3 TRP 20
TRP HZ3 HZ3 H 0 N N N HZ3 TRP 21
TRP HZ2 HZ2 H 0 N N N HZ2 TRP 22
TRP HH2 HH2 H 0 N N N HH2 TRP 23
TRP HN HN H 0 N N N HN TRP 24
TRP OT1 OT1 O 0 N Y N OT1 TRP 25
TRP OT2 OT2 O 0 N Y N OT2 TRP 26
TRP HT1 HT1 H 0 N N N HT1 TRP 27
TRP HT2 HT2 H 0 N N N HT2 TRP 28
TRP HT3 HT3 H 0 N N N HT3 TRP 29
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
TRP CB CA SING N N 1
TRP CG CB SING N N 2
TRP CD2 CG SING N N 3
TRP NE1 CD1 SING N N 4
TRP CZ2 CE2 SING N N 5
TRP N HN SING N N 6
TRP N CA SING N N 7
TRP C CA SING N N 8
TRP CZ3 CH2 SING N N 9
TRP CD2 CE3 SING N N 10
TRP NE1 CE2 SING N N 11
TRP CA HA SING N N 12
TRP CB HB1 SING N N 13
TRP CB HB2 SING N N 14
TRP CD1 HD1 SING N N 15
TRP NE1 HE1 SING N N 16
TRP CE3 HE3 SING N N 17
TRP CZ2 HZ2 SING N N 18
TRP CZ3 HZ3 SING N N 19
TRP CH2 HH2 SING N N 20
TRP O C SING N N 21
TRP CD1 CG SING N N 22
TRP CE2 CD2 SING N N 23
TRP CZ3 CE3 SING N N 24
TRP CH2 CZ2 SING N N 25
TRP OT1 C SING N N 26
TRP OT2 C SING N N 27
TRP HT1 NH SING N N 28
TRP HT2 NH SING N N 29
TRP HT3 NH SING N N 30
data_TYR
_chem_comp.id                                    TYR 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C9 H12 N O4" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       Y
_chem_comp.three_letter_code                     TYR 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
TYR N N N 0 N N N N TYR 1
TYR CA CA C 0 N N N CA TYR 2
TYR C C C 0 N N N C TYR 3
TYR O O O 0 N Y N O TYR 4
TYR HA HA H 0 N N N HA TYR 5
TYR CB CB C 0 N N N CB TYR 6
TYR CG CG C 0 N N N CG TYR 7
TYR CD1 CD1 C 0 N N N CD1 TYR 8
TYR CE1 CE1 C 0 N N N CE1 TYR 9
TYR CZ CZ C 0 N N N CZ TYR 10
TYR OH OH O 0 N N N OH TYR 11
TYR CD2 CD2 C 0 N N N CD2 TYR 12
TYR CE2 CE2 C 0 N N N CE2 TYR 13
TYR HB1 HB1 H 0 N N N HB1 TYR 14
TYR HB2 HB2 H 0 N N N HB2 TYR 15
TYR HD1 HD1 H 0 N N N HD1 TYR 16
TYR HE1 HE1 H 0 N N N HE1 TYR 17
TYR HH HH H 0 N N N HH TYR 18
TYR HD2 HD2 H 0 N N N HD2 TYR 19
TYR HE2 HE2 H 0 N N N HE2 TYR 20
TYR HN HN H 0 N N N HN TYR 21
TYR OT1 OT1 O 0 N Y N OT1 TYR 22
TYR OT2 OT2 O 0 N Y N OT2 TYR 23
TYR HT1 HT1 H 0 N N N HT1 TYR 24
TYR HT2 HT2 H 0 N N N HT2 TYR 25
TYR HT3 HT3 H 0 N N N HT3 TYR 26
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
TYR CB CA SING N N 1
TYR CG CB SING N N 2
TYR CD2 CG SING N N 3
TYR CE1 CD1 SING N N 4
TYR CZ CE2 SING N N 5
TYR OH CZ SING N N 6
TYR N HN SING N N 7
TYR N CA SING N N 8
TYR C CA SING N N 9
TYR CA HA SING N N 10
TYR CB HB1 SING N N 11
TYR CB HB2 SING N N 12
TYR CD1 HD1 SING N N 13
TYR CD2 HD2 SING N N 14
TYR CE1 HE1 SING N N 15
TYR CE2 HE2 SING N N 16
TYR OH HH SING N N 17
TYR O C SING N N 18
TYR CD1 CG SING N N 19
TYR CE1 CZ SING N N 20
TYR CE2 CD2 SING N N 21
TYR OT1 C SING N N 22
TYR OT2 C SING N N 23
TYR HT1 NH SING N N 24
TYR HT2 NH SING N N 25
TYR HT3 NH SING N N 26
TYR HT1 NH SING N N 27
TYR HT2 NH SING N N 28
TYR HT3 NH SING N N 29
data_VAL
_chem_comp.id                                    VAL 
_chem_comp.type                                  "L-PEPTIDE-LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H12 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       V
_chem_comp.three_letter_code                     VAL 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
VAL N N N 0 N N N N VAL 1
VAL CA CA C 0 N N N CA VAL 2
VAL C C C 0 N N N C VAL 3
VAL O O O 0 N Y N O VAL 4
VAL CB CB C 0 N N N CB VAL 5
VAL CG1 CG1 C 0 N N N CG1 VAL 6
VAL CG2 CG2 C 0 N N N CG2 VAL 7
VAL HN HN H 0 N N N HN VAL 8
VAL HA HA H 0 N N N HA VAL 9
VAL HB HB H 0 N N N HB VAL 10
VAL HG11 HG11 H 0 N N N HG11 VAL 11
VAL HG12 HG12 H 0 N N N HG12 VAL 12
VAL HG13 HG13 H 0 N N N HG13 VAL 13
VAL HG21 HG21 H 0 N N N HG21 VAL 14
VAL HG22 HG22 H 0 N N N HG22 VAL 15
VAL HG23 HG23 H 0 N N N HG23 VAL 16
VAL OT1 OT1 O 0 N Y N OT1 VAL 17
VAL OT2 OT2 O 0 N Y N OT2 VAL 18
VAL HT1 HT1 H 0 N N N HT1 VAL 19
VAL HT2 HT2 H 0 N N N HT2 VAL 20
VAL HT3 HT3 H 0 N N N HT3 VAL 21
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
VAL CB CA SING N N 1
VAL CG1 CB SING N N 2
VAL CG2 CB SING N N 3
VAL N HN SING N N 4
VAL N CA SING N N 5
VAL C CA SING N N 6
VAL CA HA SING N N 7
VAL CB HB SING N N 8
VAL CG1 HG11 SING N N 9
VAL CG1 HG12 SING N N 10
VAL CG1 HG13 SING N N 11
VAL CG2 HG21 SING N N 12
VAL CG2 HG22 SING N N 13
VAL CG2 HG23 SING N N 14
VAL O C SING N N 15
VAL OT1 C SING N N 16
VAL OT2 C SING N N 17
VAL HT1 NH SING N N 18
VAL HT2 NH SING N N 19
VAL HT3 NH SING N N 20


data_HOH
_chem_comp.id                                    HOH 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "H2 O" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       .
_chem_comp.three_letter_code                     HOH 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
HOH OW OW O 0 N N N OW HOH 1
HOH HW1 HW1 H 0 N N N HW1 HOH 2
HOH HW2 HW2 H 0 N N N HW2 HOH 3
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
HOH OW HW1 SING N N 1
HOH OW HW2 SING N N 2
HOH HW1 HW2 SING N N 3
data_TIP3
_chem_comp.id                                    TIP3 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "H2 O" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       .
_chem_comp.three_letter_code                     TIP3 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
TIP3 OH2 OH2 O 0 N N N OH2 TIP3 1
TIP3 H1 H1 H 0 N N N H1 TIP3 2
TIP3 H2 H2 H 0 N N N H2 TIP3 3
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
TIP3 OH2 H1 SING N N 1
TIP3 OH2 H2 SING N N 2
TIP3 H1 H2 SING N N 3
data_TP3M
_chem_comp.id                                    TP3M 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "H2 O" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       .
_chem_comp.three_letter_code                     TP3M 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
TP3M OH2 OH2 O 0 N N N OH2 TP3M 1
TP3M H1 H1 H 0 N N N H1 TP3M 2
TP3M H2 H2 H 0 N N N H2 TP3M 3
#
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal
TP3M OH2 H1 SING N N 1
TP3M OH2 H2 SING N N 2
data_SOD
_chem_comp.id                                    SOD 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "NA" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     SOD 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
SOD SOD SOD NA 0 N N N SOD SOD 1
data_MG
_chem_comp.id                                    MG 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "MG" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     MG 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
MG MG MG MG 0 N N N MG MG 1
data_POT
_chem_comp.id                                    POT 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "K" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     POT 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
POT POT POT K 0 N N N POT POT 1
data_CAL
_chem_comp.id                                    CAL 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "CA" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     CAL 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
CAL CAL CAL CA 0 N N N CAL CAL 1
data_CLA
_chem_comp.id                                    CLA 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "CA" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     CLA 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
CLA CLA CLA CL 0 N N N CLA CLA 1
data_ZN2
_chem_comp.id                                    ZN2 
_chem_comp.type                                  "NON-POLYMER" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "ZN" 
_chem_comp.mon_nstd_parent_comp_id               ?
_chem_comp.pdbx_initial_date                     2010-09-20 
_chem_comp.pdbx_modified_date                    2010-09-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.one_letter_code                       ?
_chem_comp.three_letter_code                     ZN2 
#
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal  
ZN2 ZN ZN ZN 0 N N N ZN ZN2 1