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1E27.pdb
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1E27.pdb
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HEADER IMMUNE SYSTEM 18-MAY-00 1E27
TITLE NONSTANDARD PEPTIDE BINDING OF HLA-B*5101 COMPLEXED WITH
TITLE 2 HIV IMMUNODOMINANT EPITOPE KM1(LPPVVAKEI)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY
COMPND 3 CHAIN;
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: EXTRACELLULAR RESIDUES 25-300;
COMPND 6 SYNONYM: B51;
COMPND 7 ENGINEERED: YES;
COMPND 8 MOL_ID: 2;
COMPND 9 MOLECULE: BETA-2 MICROGLOBULIN LIGHT CHAIN;
COMPND 10 CHAIN: B;
COMPND 11 FRAGMENT: EXTRACELLULAR RESIDUES 21-119;
COMPND 12 SYNONYM: B2M;
COMPND 13 ENGINEERED: YES;
COMPND 14 MOL_ID: 3;
COMPND 15 MOLECULE: HIV-1 PEPTIDE (LPPVVAKEI);
COMPND 16 CHAIN: C;
COMPND 17 FRAGMENT: EXTRACELLULAR RESIDUES 742-750
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 CELLULAR_LOCATION: CELL SURFACE;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGMT7;
SOURCE 10 MOL_ID: 2;
SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 12 ORGANISM_COMMON: HUMAN;
SOURCE 13 ORGANISM_TAXID: 9606;
SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 15 EXPRESSION_SYSTEM_STRAIN: XA90;
SOURCE 16 EXPRESSION_SYSTEM_PLASMID: PHN1;
SOURCE 17 MOL_ID: 3;
SOURCE 18 SYNTHETIC: YES;
SOURCE 19 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;
SOURCE 20 ORGANISM_COMMON: HIV-1;
SOURCE 21 ORGANISM_TAXID: 11676
KEYWDS IMMUNE SYSTEM, HLA B51, HIV, MHC CLASS I,
KEYWDS 2 HISTOCOMPATIBILITY COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR K.MAENAKA,T.MAENAKA,H.TOMIYAMA,M.TAKIGUCHI,D.I.STUART,
AUTHOR 2 E.Y.JONES
REVDAT 2 24-FEB-09 1E27 1 VERSN
REVDAT 1 12-SEP-00 1E27 0
JRNL AUTH K.MAENAKA,T.MAENAKA,H.TOMIYAMA,M.TAKIGUCHI,
JRNL AUTH 2 D.I.STUART,E.Y.JONES
JRNL TITL NONSTANDARD PEPTIDE BINDING REVEALED BY CRYSTAL
JRNL TITL 2 STRUCTURES OF HLA-B5101 COMPLEXED WITH HIV
JRNL TITL 3 IMMUNODOMINANT EPITOPES
JRNL REF J.IMMUNOL. V. 165 3260 2000
JRNL REFN ISSN 0022-1767
JRNL PMID 10975842
REMARK 2
REMARK 2 RESOLUTION. 2.20 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.0
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.3
REMARK 3 NUMBER OF REFLECTIONS : 23600
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.199
REMARK 3 FREE R VALUE : 0.255
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1
REMARK 3 FREE R VALUE TEST SET COUNT : 1215
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.2
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.0
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3127
REMARK 3 BIN R VALUE (WORKING SET) : 0.206
REMARK 3 BIN FREE R VALUE : 0.259
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 6.1
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 203
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3160
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 394
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 13.7
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.3
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.94
REMARK 3 B22 (A**2) : -2.97
REMARK 3 B33 (A**2) : 4.91
REMARK 3 B12 (A**2) : 0
REMARK 3 B13 (A**2) : 0
REMARK 3 B23 (A**2) : 0
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.24
REMARK 3 ESD FROM SIGMAA (A) : 0.14
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.32
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.20
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.005
REMARK 3 BOND ANGLES (DEGREES) : 1.2
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.1
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.71
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : NULL
REMARK 3 BSOL : NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 PARAMETER FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1E27 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 18-MAY-00.
REMARK 100 THE PDBE ID CODE IS EBI-4968.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 100.0
REMARK 200 PH : 6.50
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SRS
REMARK 200 BEAMLINE : PX9.6
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 153441
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200
REMARK 200 RESOLUTION RANGE LOW (A) : 25.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0
REMARK 200 DATA REDUNDANCY : 3.200
REMARK 200 R MERGE (I) : 0.09100
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 40.3000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28
REMARK 200 COMPLETENESS FOR SHELL (%) : 92.7
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.21500
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 15.900
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: CNS
REMARK 200 STARTING MODEL: HLA B53
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): NULL
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.40000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.50000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 41.15000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 55.50000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.40000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 41.15000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC
REMARK 350 SOFTWARE USED: PQS
REMARK 350 TOTAL BURIED SURFACE AREA: 4780 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 23510 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -30.5 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 410
REMARK 410 IMGT/3Dstructure-DB annotations
REMARK 410 (http://www.imgt.org)
REMARK 410
REMARK 410 IMGT protein name
REMARK 410 MH1 HLA-B*5101
REMARK 410 IMGT receptor type
REMARK 410 MH
REMARK 410 IMGT receptor description
REMARK 410 MH1-ALPHA_B2M
REMARK 410 Species
REMARK 410 Homo sapiens (human)
REMARK 410 Chain ID
REMARK 410 1e27_A,1e27_B
REMARK 410
REMARK 410 ligand(s)
REMARK 410 Immunodominant epitope KM1 peptide 742-750 (P24740)
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Peptide
REMARK 410 Species
REMARK 410 Human immunodeficiency virus 1
REMARK 410 Chain ID
REMARK 410 1e27_C
REMARK 410
REMARK 410
REMARK 410 Chain ID 1e27_A (1E27A)
REMARK 410 IMGT chain description I-ALPHA
REMARK 410 Chain amino acid sequence
REMARK 410 [ G-ALPHA1 (1-90) [D1]
REMARK 410 GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRAPWIEQEGPEYWDRNTQI
REMARK 410 ][ G-ALPHA
REMARK 410 FKTNTQTYRENLRIALRYYNQSEAGSHTWQTMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLSS
REMARK 410 2 (91-182) [D2] ][
REMARK 410 WTAADTAAQITQRKWEAAREAEQLRAYLEGLCVEWLRRHLENGKETLQRADPPKTHVTHHPVSDHE
REMARK 410 C-LIKE (183-274) [D3]
REMARK 410 ATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHE
REMARK 410 ]
REMARK 410 GLPKPLTLRWEP
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA1
REMARK 410 G-DOMAIN IMGT gene and allele Homo sapiens HLA-B*5101
REMARK 410 G-DOMAIN IMGT gene and allele (100%)
REMARK 410 G-DOMAIN ..........GSHSMRY.FYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAA
REMARK 410 G-DOMAIN SPRTEPRA.......PWIEQEGPEYWDRNTQIFKTNTQTYRENLRIALRYYN
REMARK 410 G-DOMAIN QSEA
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA2
REMARK 410 G-DOMAIN IMGT gene and allele Homo sapiens HLA-B*5101
REMARK 410 G-DOMAIN IMGT gene and allele (100%)
REMARK 410 G-DOMAIN ..........GSHTWQTMYGCDVGPDGRLLRGHNQYAYDGKDYIALNED..L
REMARK 410 G-DOMAIN SSWTAAD.......TAAQITQRKWEAA.REAEQLRAYLEGLCVEWLRRHLEN
REMARK 410 G-DOMAIN GKETLQRA
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Homo sapiens HLA-B*5101
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .......DPPKTHVTHHPVSD......HEATLRCWALGFYP..AEITLTWQR
REMARK 410 C-LIKE-DOMAIN DGEDQTQ..DTELVETRPAGD......RTFQKWAAVVVPSG.....EEQRYT
REMARK 410 C-LIKE-DOMAIN CHVQHEG..LPKPLTLRW
REMARK 410
REMARK 410 Chain ID 1e27_B (1E27B)
REMARK 410 IMGT chain description B2M
REMARK 410 Chain amino acid sequence
REMARK 410 [ C-LIKE (1-99) [D1]
REMARK 410 IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLY
REMARK 410 ]
REMARK 410 YTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Homo sapiens B2M*01
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele (100%), Homo sapiens
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele B2M*02 (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .....IQRTPKIQVYSRHPAEN....GKSNFLNCYVSGFHP..SDIEVDLLK
REMARK 410 C-LIKE-DOMAIN NGERIE...KVEHSDLSFSKD......WSFYLLYYTEFTPTE.....KDEYA
REMARK 410 C-LIKE-DOMAIN CRVNHVT..LSQPKIVKWDRDM
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 SER A 2 111.82 64.82
REMARK 500 ARG A 14 72.98 -156.69
REMARK 500 ASP A 29 -128.34 54.58
REMARK 500 ASN A 114 105.76 -162.83
REMARK 500 GLN A 224 40.11 -103.31
REMARK 500 ARG A 239 -25.31 92.77
REMARK 500 TRP B 60 -1.95 76.50
REMARK 500 VAL C 5 77.54 -112.87
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1E28 RELATED DB: PDB
REMARK 900 RELATED ID: 1HLA RELATED DB: PDB
REMARK 900 RELATED ID: 2HLA RELATED DB: PDB
REMARK 900 RELATED ID: 3HLA RELATED DB: PDB
REMARK 900 RELATED ID: 1HSA RELATED DB: PDB
REMARK 900 RELATED ID: 1AGB RELATED DB: PDB
REMARK 900 RELATED ID: 1AGC RELATED DB: PDB
REMARK 900 RELATED ID: 1AGD RELATED DB: PDB
REMARK 900 RELATED ID: 1AGE RELATED DB: PDB
REMARK 900 RELATED ID: 1AGF RELATED DB: PDB
REMARK 900 RELATED ID: 1TMC RELATED DB: PDB
REMARK 900 RELATED ID: 1A1M RELATED DB: PDB
REMARK 900 RELATED ID: 1A1N RELATED DB: PDB
REMARK 900 RELATED ID: 1A1O RELATED DB: PDB
REMARK 900 RELATED ID: 1A9B RELATED DB: PDB
REMARK 900 RELATED ID: 1A9E RELATED DB: PDB
REMARK 900 RELATED ID: 1A6Z RELATED DB: PDB
REMARK 900 RELATED ID: 1MHE RELATED DB: PDB
DBREF 1E27 A 1 276 UNP P18464 1B49_HUMAN 25 300
DBREF 1E27 B 1 99 UNP P01884 B2MG_HUMAN 21 119
DBREF 1E27 C 1 9 UNP P24740 POL_HV1U4 742 750
SEQRES 1 A 276 GLY SER HIS SER MET ARG TYR PHE TYR THR ALA MET SER
SEQRES 2 A 276 ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE ALA VAL GLY
SEQRES 3 A 276 TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP SER ASP
SEQRES 4 A 276 ALA ALA SER PRO ARG THR GLU PRO ARG ALA PRO TRP ILE
SEQRES 5 A 276 GLU GLN GLU GLY PRO GLU TYR TRP ASP ARG ASN THR GLN
SEQRES 6 A 276 ILE PHE LYS THR ASN THR GLN THR TYR ARG GLU ASN LEU
SEQRES 7 A 276 ARG ILE ALA LEU ARG TYR TYR ASN GLN SER GLU ALA GLY
SEQRES 8 A 276 SER HIS THR TRP GLN THR MET TYR GLY CYS ASP VAL GLY
SEQRES 9 A 276 PRO ASP GLY ARG LEU LEU ARG GLY HIS ASN GLN TYR ALA
SEQRES 10 A 276 TYR ASP GLY LYS ASP TYR ILE ALA LEU ASN GLU ASP LEU
SEQRES 11 A 276 SER SER TRP THR ALA ALA ASP THR ALA ALA GLN ILE THR
SEQRES 12 A 276 GLN ARG LYS TRP GLU ALA ALA ARG GLU ALA GLU GLN LEU
SEQRES 13 A 276 ARG ALA TYR LEU GLU GLY LEU CYS VAL GLU TRP LEU ARG
SEQRES 14 A 276 ARG HIS LEU GLU ASN GLY LYS GLU THR LEU GLN ARG ALA
SEQRES 15 A 276 ASP PRO PRO LYS THR HIS VAL THR HIS HIS PRO VAL SER
SEQRES 16 A 276 ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE
SEQRES 17 A 276 TYR PRO ALA GLU ILE THR LEU THR TRP GLN ARG ASP GLY
SEQRES 18 A 276 GLU ASP GLN THR GLN ASP THR GLU LEU VAL GLU THR ARG
SEQRES 19 A 276 PRO ALA GLY ASP ARG THR PHE GLN LYS TRP ALA ALA VAL
SEQRES 20 A 276 VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS
SEQRES 21 A 276 VAL GLN HIS GLU GLY LEU PRO LYS PRO LEU THR LEU ARG
SEQRES 22 A 276 TRP GLU PRO
SEQRES 1 B 99 ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG HIS
SEQRES 2 B 99 PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS TYR
SEQRES 3 B 99 VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP LEU
SEQRES 4 B 99 LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS SER
SEQRES 5 B 99 ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU LEU
SEQRES 6 B 99 TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU TYR
SEQRES 7 B 99 ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO LYS
SEQRES 8 B 99 ILE VAL LYS TRP ASP ARG ASP MET
SEQRES 1 C 9 LEU PRO PRO VAL VAL ALA LYS GLU ILE
FORMUL 4 HOH *394(H2 O1)
HELIX 1 1 ALA A 49 GLU A 55 5 7
HELIX 2 2 GLY A 56 TYR A 85 1 30
HELIX 3 3 ASP A 1049 ALA A 1061A 1 14
HELIX 4 4 ARG A 1062 GLY A 1072A 1 12
HELIX 5 5 GLY A 1072A GLY A 1085 1 14
HELIX 6 6 GLY A 1085 GLN A 1090 1 6
HELIX 7 7 GLU A 2098 GLN A 2100 5 3
SHEET 1 A 8 GLU A 46 PRO A 47 0
SHEET 2 A 8 THR A 31 ASP A 37 -1 O ARG A 35 N GLU A 46
SHEET 3 A 8 ARG A 21 VAL A 28 -1 O ALA A 24 N PHE A 36
SHEET 4 A 8 HIS A 3 MET A 12 -1 O ARG A 6 N TYR A 27
SHEET 5 A 8 THR A1004 VAL A1013 -1 O TRP A1005 N ALA A 11
SHEET 6 A 8 LEU A1019 TYR A1028 -1 N LEU A1020 O ASP A1012
SHEET 7 A 8 LYS A1031 LEU A1036 -1 O LYS A1031 N TYR A1028
SHEET 8 A 8 TRP A1045 ALA A1047 -1 O THR A1046 N ALA A1035
SHEET 1 B 4 LYS A2003 PRO A2010 0
SHEET 2 B 4 GLU A2018 PHE A2028 -1 O THR A2020 N HIS A2009
SHEET 3 B 4 PHE A2085B PRO A2092 -1 O PHE A2085B N PHE A2028
SHEET 4 B 4 THR A2078 LEU A2080 -1 O GLU A2079 N ALA A2088
SHEET 1 B1 4 LYS A2003 PRO A2010 0
SHEET 2 B1 4 GLU A2018 PHE A2028 -1 O THR A2020 N HIS A2009
SHEET 3 B1 4 PHE A2085B PRO A2092 -1 O PHE A2085B N PHE A2028
SHEET 4 B1 4 ARG A2084 PRO A2084A-1 O ARG A2084 N GLN A2085A
SHEET 1 C 4 GLU A2045A ASP A2045B 0
SHEET 2 C 4 THR A2038 ARG A2043 -1 O ARG A2043 N GLU A2045A
SHEET 3 C 4 TYR A2102 GLN A2107 -1 O THR A2103 N GLN A2042
SHEET 4 C 4 LEU A2117 LEU A2119 -1 O LEU A2117 N VAL A2106
SHEET 1 D 4 LYS B 3 SER B 8 0
SHEET 2 D 4 ASN B 19 PHE B 28 -1 O ASN B 22 N TYR B 7
SHEET 3 D 4 PHE B 85B PHE B 91 -1 O PHE B 85B N PHE B 28
SHEET 4 D 4 GLU B 79 HIS B 80 -1 O GLU B 79 N TYR B 88
SHEET 1 D1 4 LYS B 3 SER B 8 0
SHEET 2 D1 4 ASN B 19 PHE B 28 -1 O ASN B 22 N TYR B 7
SHEET 3 D1 4 PHE B 85B PHE B 91 -1 O PHE B 85B N PHE B 28
SHEET 4 D1 4 SER B 84 PHE B 84A-1 O SER B 84 N TYR B 85A
SHEET 1 E 4 GLU B 45A ARG B 45B 0
SHEET 2 E 4 GLU B 38 LYS B 43 -1 O LYS B 43 N GLU B 45A
SHEET 3 E 4 TYR B 102 ASN B 107 -1 O ALA B 103 N LEU B 42
SHEET 4 E 4 LYS B 117 LYS B 120 -1 O LYS B 117 N VAL B 106
SSBOND 1 CYS A 1011 CYS A 1074 1555 1555
SSBOND 2 CYS A 2023 CYS A 2104 1555 1555
SSBOND 3 CYS B 23 CYS B 104 1555 1555
CISPEP 1 TYR A 2029 PRO A 2030 0 0.13
CISPEP 2 HIS B 29 PRO B 30 0 0.20
CRYST1 50.800 82.300 111.000 90.00 90.00 90.00 P 21 21 21 4
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.019685 0.000000 0.000000 0.00000
SCALE2 0.000000 0.012151 0.000000 0.00000
SCALE3 0.000000 0.000000 0.009009 0.00000
ATOM 1 N GLY A 1 23.374 15.548 28.577 1.00 40.17 N
ATOM 2 CA GLY A 1 23.198 15.397 30.052 1.00 37.62 C
ATOM 3 C GLY A 1 21.856 15.942 30.491 1.00 35.22 C
ATOM 4 O GLY A 1 21.750 16.616 31.514 1.00 37.20 O
ATOM 5 N SER A 2 20.826 15.643 29.708 1.00 32.23 N
ATOM 6 CA SER A 2 19.472 16.106 29.991 1.00 27.64 C
ATOM 7 C SER A 2 19.357 17.629 29.906 1.00 23.77 C
ATOM 8 O SER A 2 19.902 18.368 30.731 1.00 19.53 O
ATOM 9 CB SER A 2 19.020 15.628 31.368 1.00 28.98 C
ATOM 10 OG SER A 2 17.694 16.061 31.625 1.00 32.53 O
ATOM 11 N HIS A 3 18.628 18.086 28.896 1.00 20.54 N
ATOM 12 CA HIS A 3 18.426 19.506 28.665 1.00 16.45 C
ATOM 13 C HIS A 3 16.980 19.736 28.264 1.00 16.81 C
ATOM 14 O HIS A 3 16.256 18.797 27.928 1.00 13.64 O
ATOM 15 CB HIS A 3 19.343 19.985 27.537 1.00 17.70 C
ATOM 16 CG HIS A 3 20.796 19.952 27.887 1.00 16.33 C
ATOM 17 ND1 HIS A 3 21.377 20.868 28.737 1.00 17.80 N
ATOM 18 CD2 HIS A 3 21.780 19.091 27.532 1.00 16.19 C
ATOM 19 CE1 HIS A 3 22.655 20.574 28.892 1.00 17.62 C
ATOM 20 NE2 HIS A 3 22.925 19.500 28.171 1.00 17.47 N
ATOM 21 N SER A 4 16.557 20.991 28.293 1.00 14.15 N
ATOM 22 CA SER A 4 15.198 21.301 27.905 1.00 14.62 C
ATOM 23 C SER A 4 15.069 22.706 27.352 1.00 13.21 C
ATOM 24 O SER A 4 15.835 23.605 27.703 1.00 12.07 O
ATOM 25 CB SER A 4 14.261 21.136 29.100 1.00 13.94 C
ATOM 26 OG SER A 4 14.552 22.109 30.076 1.00 23.01 O
ATOM 27 N MET A 5 14.119 22.876 26.443 1.00 13.16 N
ATOM 28 CA MET A 5 13.846 24.184 25.890 1.00 13.19 C
ATOM 29 C MET A 5 12.436 24.475 26.367 1.00 12.01 C
ATOM 30 O MET A 5 11.574 23.599 26.344 1.00 12.84 O
ATOM 31 CB MET A 5 13.902 24.195 24.358 1.00 11.93 C
ATOM 32 CG MET A 5 13.532 25.574 23.780 1.00 11.82 C
ATOM 33 SD MET A 5 13.949 25.863 22.040 1.00 15.25 S
ATOM 34 CE MET A 5 12.634 24.949 21.224 1.00 15.49 C
ATOM 35 N ARG A 6 12.207 25.702 26.809 1.00 10.82 N
ATOM 36 CA ARG A 6 10.900 26.080 27.309 1.00 11.53 C
ATOM 37 C ARG A 6 10.498 27.474 26.852 1.00 10.05 C
ATOM 38 O ARG A 6 11.338 28.364 26.714 1.00 10.49 O
ATOM 39 CB ARG A 6 10.901 26.048 28.845 1.00 13.75 C
ATOM 40 CG ARG A 6 11.479 24.779 29.460 1.00 17.59 C
ATOM 41 CD ARG A 6 11.230 24.741 30.957 1.00 23.34 C
ATOM 42 NE ARG A 6 11.975 23.679 31.631 1.00 28.02 N
ATOM 43 CZ ARG A 6 13.253 23.767 31.991 1.00 31.33 C
ATOM 44 NH1 ARG A 6 13.946 24.875 31.747 1.00 33.22 N
ATOM 45 NH2 ARG A 6 13.839 22.748 32.603 1.00 31.90 N
ATOM 46 N TYR A 7 9.206 27.648 26.615 1.00 7.92 N
ATOM 47 CA TYR A 7 8.655 28.940 26.232 1.00 8.31 C
ATOM 48 C TYR A 7 7.570 29.256 27.249 1.00 8.36 C
ATOM 49 O TYR A 7 6.760 28.388 27.578 1.00 7.27 O
ATOM 50 CB TYR A 7 8.058 28.891 24.827 1.00 9.49 C
ATOM 51 CG TYR A 7 9.081 29.083 23.736 1.00 8.80 C
ATOM 52 CD1 TYR A 7 9.564 30.355 23.423 1.00 11.79 C
ATOM 53 CD2 TYR A 7 9.590 27.993 23.032 1.00 11.37 C
ATOM 54 CE1 TYR A 7 10.530 30.536 22.436 1.00 13.99 C
ATOM 55 CE2 TYR A 7 10.560 28.163 22.039 1.00 13.06 C
ATOM 56 CZ TYR A 7 11.021 29.436 21.748 1.00 14.60 C
ATOM 57 OH TYR A 7 11.960 29.613 20.760 1.00 18.58 O
ATOM 58 N PHE A 8 7.582 30.486 27.761 1.00 7.80 N
ATOM 59 CA PHE A 8 6.604 30.947 28.746 1.00 8.22 C
ATOM 60 C PHE A 8 5.854 32.159 28.218 1.00 7.97 C
ATOM 61 O PHE A 8 6.455 33.199 27.943 1.00 7.37 O
ATOM 62 CB PHE A 8 7.282 31.335 30.063 1.00 7.54 C
ATOM 63 CG PHE A 8 8.115 30.244 30.662 1.00 9.43 C
ATOM 64 CD1 PHE A 8 9.445 30.082 30.287 1.00 8.50 C
ATOM 65 CD2 PHE A 8 7.565 29.363 31.592 1.00 6.36 C
ATOM 66 CE1 PHE A 8 10.220 29.055 30.830 1.00 9.71 C
ATOM 67 CE2 PHE A 8 8.331 28.331 32.140 1.00 9.92 C
ATOM 68 CZ PHE A 8 9.659 28.176 31.760 1.00 8.31 C
ATOM 69 N TYR A 9 4.540 32.018 28.089 1.00 7.53 N
ATOM 70 CA TYR A 9 3.698 33.096 27.590 1.00 6.70 C
ATOM 71 C TYR A 9 2.830 33.643 28.702 1.00 8.80 C
ATOM 72 O TYR A 9 2.281 32.880 29.503 1.00 7.84 O
ATOM 73 CB TYR A 9 2.758 32.605 26.481 1.00 7.83 C
ATOM 74 CG TYR A 9 3.420 32.019 25.257 1.00 4.70 C
ATOM 75 CD1 TYR A 9 4.743 32.314 24.941 1.00 5.13 C
ATOM 76 CD2 TYR A 9 2.701 31.192 24.390 1.00 8.84 C
ATOM 77 CE1 TYR A 9 5.335 31.800 23.796 1.00 7.35 C
ATOM 78 CE2 TYR A 9 3.279 30.675 23.242 1.00 6.54 C
ATOM 79 CZ TYR A 9 4.599 30.982 22.951 1.00 8.07 C
ATOM 80 OH TYR A 9 5.186 30.469 21.819 1.00 11.71 O
ATOM 81 N THR A 10 2.705 34.963 28.741 1.00 7.47 N
ATOM 82 CA THR A 10 1.858 35.619 29.720 1.00 9.60 C
ATOM 83 C THR A 10 1.071 36.698 28.984 1.00 8.92 C
ATOM 84 O THR A 10 1.648 37.504 28.263 1.00 7.33 O
ATOM 85 CB THR A 10 2.674 36.285 30.847 1.00 11.04 C
ATOM 86 OG1 THR A 10 3.549 35.321 31.439 1.00 8.68 O
ATOM 87 CG2 THR A 10 1.739 36.824 31.930 1.00 10.27 C
ATOM 88 N ALA A 11 -0.248 36.682 29.156 1.00 9.39 N
ATOM 89 CA ALA A 11 -1.151 37.654 28.546 1.00 7.50 C
ATOM 90 C ALA A 11 -1.990 38.228 29.689 1.00 10.25 C
ATOM 91 O ALA A 11 -2.564 37.472 30.476 1.00 10.87 O
ATOM 92 CB ALA A 11 -2.050 36.966 27.527 1.00 9.43 C
ATOM 93 N MET A 12 -2.067 39.555 29.773 1.00 10.01 N
ATOM 94 CA MET A 12 -2.802 40.218 30.849 1.00 11.38 C
ATOM 95 C MET A 12 -3.737 41.327 30.363 1.00 10.08 C
ATOM 96 O MET A 12 -3.299 42.267 29.691 1.00 9.49 O
ATOM 97 CB MET A 12 -1.800 40.831 31.826 1.00 16.73 C
ATOM 98 CG MET A 12 -0.637 39.922 32.159 1.00 24.80 C
ATOM 99 SD MET A 12 0.905 40.834 32.429 1.00 38.18 S
ATOM 100 CE MET A 12 1.713 40.632 30.823 1.00 30.18 C
ATOM 101 N SER A 13 -5.018 41.232 30.707 1.00 8.42 N
ATOM 102 CA SER A 13 -5.967 42.269 30.308 1.00 9.30 C
ATOM 103 C SER A 13 -5.812 43.443 31.269 1.00 8.64 C
ATOM 104 O SER A 13 -5.334 43.279 32.392 1.00 9.50 O
ATOM 105 CB SER A 13 -7.410 41.740 30.318 1.00 7.05 C
ATOM 106 OG SER A 13 -7.777 41.236 31.587 1.00 9.81 O
ATOM 107 N ARG A 14 -6.203 44.627 30.812 1.00 9.99 N
ATOM 108 CA ARG A 14 -6.093 45.850 31.600 1.00 9.27 C
ATOM 109 C ARG A 14 -7.121 46.849 31.054 1.00 12.82 C
ATOM 110 O ARG A 14 -6.771 47.832 30.387 1.00 9.97 O
ATOM 111 CB ARG A 14 -4.673 46.407 31.471 1.00 8.97 C
ATOM 112 CG ARG A 14 -4.172 46.415 30.025 1.00 9.20 C
ATOM 113 CD ARG A 14 -2.747 46.938 29.869 1.00 10.11 C
ATOM 114 NE ARG A 14 -2.301 46.765 28.488 1.00 9.54 N
ATOM 115 CZ ARG A 14 -1.048 46.897 28.064 1.00 8.58 C
ATOM 116 NH1 ARG A 14 -0.078 47.213 28.909 1.00 7.25 N
ATOM 117 NH2 ARG A 14 -0.765 46.694 26.784 1.00 11.08 N
ATOM 118 N PRO A 15 -8.413 46.601 31.337 1.00 13.78 N
ATOM 119 CA PRO A 15 -9.527 47.449 30.890 1.00 14.88 C
ATOM 120 C PRO A 15 -9.289 48.941 31.137 1.00 14.54 C
ATOM 121 O PRO A 15 -8.946 49.352 32.247 1.00 11.34 O
ATOM 122 CB PRO A 15 -10.719 46.909 31.688 1.00 14.65 C
ATOM 123 CG PRO A 15 -10.359 45.464 31.905 1.00 17.00 C
ATOM 124 CD PRO A 15 -8.893 45.554 32.260 1.00 13.23 C
ATOM 125 N GLY A 16 -9.475 49.742 30.092 1.00 14.35 N
ATOM 126 CA GLY A 16 -9.277 51.173 30.215 1.00 13.24 C
ATOM 127 C GLY A 16 -7.841 51.583 29.956 1.00 14.45 C
ATOM 128 O GLY A 16 -7.544 52.776 29.847 1.00 15.21 O
ATOM 129 N ARG A 17 -6.947 50.603 29.851 1.00 13.03 N
ATOM 130 CA ARG A 17 -5.536 50.894 29.612 1.00 11.37 C
ATOM 131 C ARG A 17 -4.960 50.197 28.384 1.00 9.68 C
ATOM 132 O ARG A 17 -3.809 49.763 28.385 1.00 11.12 O
ATOM 133 CB ARG A 17 -4.704 50.557 30.860 1.00 9.92 C
ATOM 134 CG ARG A 17 -5.097 51.396 32.072 1.00 7.81 C
ATOM 135 CD ARG A 17 -4.119 51.269 33.227 1.00 11.21 C
ATOM 136 NE ARG A 17 -4.020 49.908 33.742 1.00 17.79 N
ATOM 137 CZ ARG A 17 -2.944 49.136 33.612 1.00 18.27 C
ATOM 138 NH1 ARG A 17 -1.864 49.585 32.981 1.00 18.66 N
ATOM 139 NH2 ARG A 17 -2.946 47.912 34.112 1.00 18.26 N
ATOM 140 N GLY A 18 -5.767 50.106 27.333 1.00 9.80 N
ATOM 141 CA GLY A 18 -5.313 49.488 26.100 1.00 9.88 C
ATOM 142 C GLY A 18 -5.622 48.009 25.975 1.00 11.25 C
ATOM 143 O GLY A 18 -6.269 47.418 26.843 1.00 12.94 O
ATOM 144 N GLU A 19 -5.167 47.415 24.876 1.00 10.61 N
ATOM 145 CA GLU A 19 -5.378 45.998 24.616 1.00 11.32 C
ATOM 146 C GLU A 19 -4.503 45.156 25.537 1.00 8.86 C
ATOM 147 O GLU A 19 -3.495 45.628 26.052 1.00 7.67 O
ATOM 148 CB GLU A 19 -5.056 45.669 23.157 1.00 14.19 C
ATOM 149 CG GLU A 19 -6.135 46.097 22.176 1.00 21.41 C
ATOM 150 CD GLU A 19 -7.485 45.495 22.510 1.00 26.05 C
ATOM 151 OE1 GLU A 19 -7.589 44.249 22.572 1.00 28.57 O
ATOM 152 OE2 GLU A 19 -8.444 46.270 22.712 1.00 30.41 O
ATOM 153 N PRO A 20 -4.887 43.893 25.759 1.00 8.55 N
ATOM 154 CA PRO A 20 -4.096 43.024 26.634 1.00 7.95 C
ATOM 155 C PRO A 20 -2.639 42.891 26.197 1.00 7.79 C
ATOM 156 O PRO A 20 -2.337 42.745 25.012 1.00 7.45 O
ATOM 157 CB PRO A 20 -4.847 41.696 26.570 1.00 7.60 C
ATOM 158 CG PRO A 20 -6.283 42.140 26.401 1.00 8.85 C
ATOM 159 CD PRO A 20 -6.139 43.229 25.347 1.00 6.74 C
ATOM 160 N ARG A 21 -1.740 42.956 27.172 1.00 6.33 N
ATOM 161 CA ARG A 21 -0.320 42.824 26.916 1.00 7.14 C
ATOM 162 C ARG A 21 0.050 41.345 26.805 1.00 8.04 C
ATOM 163 O ARG A 21 -0.452 40.520 27.569 1.00 8.08 O
ATOM 164 CB ARG A 21 0.464 43.462 28.063 1.00 9.01 C
ATOM 165 CG ARG A 21 1.970 43.347 27.938 1.00 12.09 C
ATOM 166 CD ARG A 21 2.633 44.138 29.045 1.00 18.26 C
ATOM 167 NE ARG A 21 4.085 44.179 28.932 1.00 21.18 N
ATOM 168 CZ ARG A 21 4.858 44.966 29.675 1.00 27.90 C
ATOM 169 NH1 ARG A 21 4.308 45.773 30.576 1.00 25.20 N
ATOM 170 NH2 ARG A 21 6.177 44.950 29.520 1.00 28.71 N
ATOM 171 N PHE A 22 0.915 41.020 25.846 1.00 7.00 N
ATOM 172 CA PHE A 22 1.388 39.652 25.637 1.00 7.15 C
ATOM 173 C PHE A 22 2.910 39.674 25.712 1.00 8.40 C
ATOM 174 O PHE A 22 3.567 40.467 25.031 1.00 7.84 O
ATOM 175 CB PHE A 22 0.962 39.111 24.260 1.00 5.79 C
ATOM 176 CG PHE A 22 1.525 37.744 23.939 1.00 7.76 C
ATOM 177 CD1 PHE A 22 0.957 36.593 24.479 1.00 8.46 C
ATOM 178 CD2 PHE A 22 2.657 37.614 23.136 1.00 8.55 C
ATOM 179 CE1 PHE A 22 1.511 35.337 24.224 1.00 9.79 C
ATOM 180 CE2 PHE A 22 3.220 36.364 22.876 1.00 7.74 C
ATOM 181 CZ PHE A 22 2.651 35.225 23.418 1.00 7.73 C
ATOM 182 N ILE A 23 3.469 38.814 26.553 1.00 10.39 N
ATOM 183 CA ILE A 23 4.913 38.725 26.701 1.00 11.19 C
ATOM 184 C ILE A 23 5.336 37.269 26.574 1.00 11.00 C
ATOM 185 O ILE A 23 4.720 36.381 27.160 1.00 9.86 O
ATOM 186 CB ILE A 23 5.384 39.249 28.071 1.00 14.69 C
ATOM 187 CG1 ILE A 23 5.018 40.726 28.223 1.00 18.30 C
ATOM 188 CG2 ILE A 23 6.896 39.085 28.195 1.00 17.81 C
ATOM 189 CD1 ILE A 23 5.340 41.303 29.594 1.00 21.36 C
ATOM 190 N ALA A 24 6.392 37.031 25.806 1.00 11.18 N
ATOM 191 CA ALA A 24 6.905 35.686 25.618 1.00 9.36 C
ATOM 192 C ALA A 24 8.409 35.658 25.853 1.00 10.58 C
ATOM 193 O ALA A 24 9.124 36.593 25.475 1.00 9.45 O
ATOM 194 CB ALA A 24 6.589 35.201 24.210 1.00 8.67 C
ATOM 195 N VAL A 25 8.879 34.602 26.515 1.00 9.11 N
ATOM 196 CA VAL A 25 10.305 34.419 26.754 1.00 8.12 C
ATOM 197 C VAL A 25 10.650 32.954 26.510 1.00 8.83 C
ATOM 198 O VAL A 25 9.848 32.049 26.781 1.00 8.77 O
ATOM 199 CB VAL A 25 10.743 34.807 28.203 1.00 8.07 C
ATOM 200 CG1 VAL A 25 10.537 36.300 28.437 1.00 5.24 C
ATOM 201 CG2 VAL A 25 9.978 33.996 29.222 1.00 7.21 C
ATOM 202 N GLY A 26 11.844 32.726 25.984 1.00 9.18 N
ATOM 203 CA GLY A 26 12.282 31.374 25.721 1.00 7.95 C
ATOM 204 C GLY A 26 13.547 31.079 26.501 1.00 8.16 C
ATOM 205 O GLY A 26 14.402 31.947 26.669 1.00 7.57 O
ATOM 206 N TYR A 27 13.654 29.849 26.983 1.00 7.09 N
ATOM 207 CA TYR A 27 14.812 29.406 27.744 1.00 8.11 C
ATOM 208 C TYR A 27 15.329 28.058 27.249 1.00 8.17 C
ATOM 209 O TYR A 27 14.600 27.272 26.632 1.00 5.62 O
ATOM 210 CB TYR A 27 14.461 29.184 29.226 1.00 7.75 C
ATOM 211 CG TYR A 27 14.292 30.399 30.111 1.00 7.98 C
ATOM 212 CD1 TYR A 27 13.152 31.192 30.040 1.00 10.17 C
ATOM 213 CD2 TYR A 27 15.243 30.699 31.082 1.00 9.79 C
ATOM 214 CE1 TYR A 27 12.957 32.252 30.922 1.00 13.71 C
ATOM 215 CE2 TYR A 27 15.063 31.754 31.971 1.00 13.27 C
ATOM 216 CZ TYR A 27 13.917 32.524 31.886 1.00 14.69 C
ATOM 217 OH TYR A 27 13.733 33.559 32.769 1.00 18.77 O
ATOM 218 N VAL A 28 16.604 27.816 27.525 1.00 7.13 N
ATOM 219 CA VAL A 28 17.227 26.528 27.276 1.00 7.02 C
ATOM 220 C VAL A 28 17.771 26.321 28.688 1.00 5.91 C
ATOM 221 O VAL A 28 18.634 27.077 29.139 1.00 6.04 O
ATOM 222 CB VAL A 28 18.385 26.571 26.275 1.00 7.64 C
ATOM 223 CG1 VAL A 28 19.151 25.267 26.369 1.00 5.34 C
ATOM 224 CG2 VAL A 28 17.851 26.736 24.844 1.00 7.02 C
ATOM 225 N ASP A 29 17.246 25.326 29.394 1.00 6.65 N
ATOM 226 CA ASP A 29 17.643 25.079 30.780 1.00 8.67 C
ATOM 227 C ASP A 29 17.432 26.389 31.551 1.00 8.15 C
ATOM 228 O ASP A 29 16.357 26.973 31.470 1.00 10.14 O
ATOM 229 CB ASP A 29 19.102 24.598 30.876 1.00 9.83 C
ATOM 230 CG ASP A 29 19.340 23.301 30.106 1.00 13.78 C
ATOM 231 OD1 ASP A 29 18.448 22.430 30.105 1.00 12.30 O
ATOM 232 OD2 ASP A 29 20.422 23.146 29.504 1.00 18.49 O
ATOM 233 N ASP A 30 18.433 26.875 32.279 1.00 8.86 N
ATOM 234 CA ASP A 30 18.247 28.114 33.032 1.00 7.41 C
ATOM 235 C ASP A 30 18.819 29.344 32.340 1.00 8.69 C
ATOM 236 O ASP A 30 19.188 30.318 32.996 1.00 9.73 O
ATOM 237 CB ASP A 30 18.857 27.985 34.426 1.00 9.70 C
ATOM 238 CG ASP A 30 18.197 26.905 35.248 1.00 13.48 C
ATOM 239 OD1 ASP A 30 16.954 26.891 35.308 1.00 15.00 O
ATOM 240 OD2 ASP A 30 18.917 26.074 35.838 1.00 15.14 O
ATOM 241 N THR A 31 18.876 29.305 31.014 1.00 7.50 N
ATOM 242 CA THR A 31 19.410 30.420 30.240 1.00 7.89 C
ATOM 243 C THR A 31 18.365 31.006 29.291 1.00 7.39 C
ATOM 244 O THR A 31 17.937 30.342 28.349 1.00 6.48 O
ATOM 245 CB THR A 31 20.626 29.959 29.409 1.00 8.28 C
ATOM 246 OG1 THR A 31 21.615 29.412 30.289 1.00 11.08 O
ATOM 247 CG2 THR A 31 21.227 31.125 28.632 1.00 8.61 C
ATOM 248 N GLN A 32 17.954 32.247 29.530 1.00 8.65 N
ATOM 249 CA GLN A 32 16.963 32.872 28.653 1.00 11.89 C
ATOM 250 C GLN A 32 17.655 33.251 27.350 1.00 10.86 C
ATOM 251 O GLN A 32 18.778 33.739 27.370 1.00 13.86 O
ATOM 252 CB GLN A 32 16.375 34.132 29.290 1.00 11.91 C
ATOM 253 CG GLN A 32 15.095 34.607 28.591 1.00 12.80 C
ATOM 254 CD GLN A 32 14.794 36.067 28.841 1.00 14.03 C
ATOM 255 OE1 GLN A 32 15.159 36.616 29.878 1.00 17.59 O
ATOM 256 NE2 GLN A 32 14.113 36.704 27.894 1.00 14.90 N
ATOM 257 N PHE A 33 17.010 33.027 26.212 1.00 9.95 N
ATOM 258 CA PHE A 33 17.666 33.382 24.966 1.00 8.95 C
ATOM 259 C PHE A 33 16.853 34.304 24.073 1.00 10.57 C
ATOM 260 O PHE A 33 17.401 34.920 23.169 1.00 9.63 O
ATOM 261 CB PHE A 33 18.103 32.119 24.192 1.00 9.35 C
ATOM 262 CG PHE A 33 16.971 31.242 23.736 1.00 7.52 C
ATOM 263 CD1 PHE A 33 16.400 30.308 24.594 1.00 7.76 C
ATOM 264 CD2 PHE A 33 16.487 31.337 22.437 1.00 7.96 C
ATOM 265 CE1 PHE A 33 15.362 29.483 24.164 1.00 10.37 C
ATOM 266 CE2 PHE A 33 15.448 30.517 21.994 1.00 11.29 C
ATOM 267 CZ PHE A 33 14.883 29.587 22.860 1.00 8.94 C
ATOM 268 N VAL A 34 15.548 34.406 24.323 1.00 10.86 N
ATOM 269 CA VAL A 34 14.700 35.287 23.527 1.00 11.10 C
ATOM 270 C VAL A 34 13.585 35.918 24.343 1.00 11.78 C
ATOM 271 O VAL A 34 13.220 35.434 25.420 1.00 10.36 O
ATOM 272 CB VAL A 34 14.022 34.554 22.348 1.00 12.56 C
ATOM 273 CG1 VAL A 34 15.050 34.192 21.296 1.00 19.02 C
ATOM 274 CG2 VAL A 34 13.299 33.300 22.857 1.00 13.26 C
ATOM 275 N ARG A 35 13.039 36.999 23.800 1.00 9.75 N
ATOM 276 CA ARG A 35 11.945 37.711 24.428 1.00 11.05 C
ATOM 277 C ARG A 35 11.110 38.425 23.367 1.00 11.63 C
ATOM 278 O ARG A 35 11.600 38.758 22.282 1.00 12.29 O
ATOM 279 CB ARG A 35 12.491 38.730 25.435 1.00 13.24 C
ATOM 280 CG ARG A 35 11.992 40.137 25.200 1.00 19.13 C
ATOM 281 CD ARG A 35 13.118 41.138 25.014 1.00 20.52 C
ATOM 282 NE ARG A 35 13.563 41.688 26.286 1.00 23.96 N
ATOM 283 CZ ARG A 35 14.146 42.874 26.422 1.00 24.13 C
ATOM 284 NH1 ARG A 35 14.355 43.640 25.358 1.00 23.93 N
ATOM 285 NH2 ARG A 35 14.513 43.297 27.622 1.00 21.98 N
ATOM 286 N PHE A 36 9.839 38.630 23.691 1.00 11.06 N
ATOM 287 CA PHE A 36 8.898 39.348 22.844 1.00 10.80 C
ATOM 288 C PHE A 36 7.916 40.029 23.780 1.00 11.33 C
ATOM 289 O PHE A 36 7.425 39.408 24.726 1.00 10.78 O
ATOM 290 CB PHE A 36 8.131 38.416 21.908 1.00 8.72 C
ATOM 291 CG PHE A 36 7.112 39.134 21.066 1.00 9.63 C
ATOM 292 CD1 PHE A 36 7.468 39.682 19.836 1.00 8.50 C
ATOM 293 CD2 PHE A 36 5.807 39.306 21.523 1.00 10.33 C
ATOM 294 CE1 PHE A 36 6.540 40.392 19.071 1.00 10.92 C
ATOM 295 CE2 PHE A 36 4.867 40.014 20.768 1.00 9.00 C
ATOM 296 CZ PHE A 36 5.233 40.560 19.537 1.00 7.93 C
ATOM 297 N ASP A 37 7.635 41.300 23.508 1.00 12.09 N
ATOM 298 CA ASP A 37 6.730 42.105 24.326 1.00 11.23 C
ATOM 299 C ASP A 37 5.854 42.942 23.392 1.00 12.98 C
ATOM 300 O ASP A 37 6.363 43.773 22.637 1.00 14.38 O
ATOM 301 CB ASP A 37 7.562 43.022 25.225 1.00 11.85 C
ATOM 302 CG ASP A 37 6.728 43.765 26.248 1.00 13.71 C
ATOM 303 OD1 ASP A 37 5.509 43.919 26.039 1.00 13.64 O
ATOM 304 OD2 ASP A 37 7.307 44.210 27.262 1.00 15.38 O
ATOM 305 N SER A 38 4.543 42.731 23.438 1.00 11.96 N
ATOM 306 CA SER A 38 3.641 43.479 22.570 1.00 10.97 C
ATOM 307 C SER A 38 3.618 44.958 22.914 1.00 10.92 C
ATOM 308 O SER A 38 3.154 45.766 22.121 1.00 13.48 O
ATOM 309 CB SER A 38 2.221 42.911 22.648 1.00 10.47 C
ATOM 310 OG SER A 38 1.682 43.038 23.952 1.00 7.84 O
ATOM 311 N ASP A 39 4.130 45.308 24.091 1.00 12.25 N
ATOM 312 CA ASP A 39 4.169 46.693 24.552 1.00 13.32 C
ATOM 313 C ASP A 39 5.398 47.483 24.093 1.00 16.34 C
ATOM 314 O ASP A 39 5.478 48.691 24.319 1.00 17.70 O
ATOM 315 CB ASP A 39 4.080 46.741 26.085 1.00 13.45 C
ATOM 316 CG ASP A 39 2.649 46.895 26.583 1.00 13.53 C
ATOM 317 OD1 ASP A 39 1.714 46.705 25.783 1.00 13.71 O
ATOM 318 OD2 ASP A 39 2.455 47.208 27.777 1.00 18.88 O
ATOM 319 N ALA A 40 6.352 46.810 23.460 1.00 16.87 N
ATOM 320 CA ALA A 40 7.560 47.474 22.969 1.00 21.26 C
ATOM 321 C ALA A 40 7.224 48.458 21.843 1.00 22.37 C
ATOM 322 O ALA A 40 6.280 48.237 21.084 1.00 23.46 O
ATOM 323 CB ALA A 40 8.560 46.434 22.471 1.00 18.88 C
ATOM 324 N ALA A 41 8.004 49.535 21.740 1.00 25.70 N
ATOM 325 CA ALA A 41 7.798 50.561 20.710 1.00 28.73 C
ATOM 326 C ALA A 41 7.545 49.939 19.337 1.00 29.99 C
ATOM 327 O ALA A 41 6.596 50.301 18.645 1.00 31.38 O
ATOM 328 CB ALA A 41 9.004 51.490 20.653 1.00 29.41 C
ATOM 329 N SER A 42 8.407 49.010 18.942 1.00 32.21 N
ATOM 330 CA SER A 42 8.259 48.307 17.670 1.00 34.33 C
ATOM 331 C SER A 42 8.400 46.826 17.985 1.00 33.10 C
ATOM 332 O SER A 42 9.483 46.254 17.849 1.00 35.09 O
ATOM 333 CB SER A 42 9.348 48.722 16.682 1.00 36.85 C
ATOM 334 OG SER A 42 9.321 47.884 15.538 1.00 39.78 O
ATOM 335 N PRO A 43 7.298 46.186 18.409 1.00 31.02 N
ATOM 336 CA PRO A 43 7.266 44.765 18.765 1.00 28.39 C
ATOM 337 C PRO A 43 7.992 43.835 17.796 1.00 27.14 C
ATOM 338 O PRO A 43 7.603 43.696 16.637 1.00 24.98 O
ATOM 339 CB PRO A 43 5.769 44.468 18.850 1.00 28.82 C
ATOM 340 CG PRO A 43 5.204 45.769 19.316 1.00 28.38 C
ATOM 341 CD PRO A 43 5.937 46.752 18.435 1.00 30.09 C
ATOM 342 N ARG A 44 9.054 43.206 18.294 1.00 25.54 N
ATOM 343 CA ARG A 44 9.845 42.266 17.515 1.00 24.03 C
ATOM 344 C ARG A 44 10.569 41.356 18.492 1.00 21.21 C
ATOM 345 O ARG A 44 10.896 41.769 19.603 1.00 18.36 O
ATOM 346 CB ARG A 44 10.856 43.009 16.634 1.00 26.80 C
ATOM 347 CG ARG A 44 11.826 43.897 17.399 1.00 32.50 C
ATOM 348 CD ARG A 44 12.759 44.653 16.454 1.00 39.12 C
ATOM 349 NE ARG A 44 13.596 43.752 15.663 1.00 43.99 N
ATOM 350 CZ ARG A 44 14.509 44.152 14.779 1.00 47.59 C
ATOM 351 NH1 ARG A 44 14.711 45.447 14.562 1.00 48.74 N
ATOM 352 NH2 ARG A 44 15.225 43.255 14.110 1.00 48.58 N
ATOM 353 N THR A 45 10.808 40.112 18.091 1.00 19.87 N
ATOM 354 CA THR A 45 11.503 39.179 18.968 1.00 20.99 C
ATOM 355 C THR A 45 12.951 39.631 19.078 1.00 19.58 C
ATOM 356 O THR A 45 13.583 39.958 18.070 1.00 19.70 O
ATOM 357 CB THR A 45 11.473 37.749 18.413 1.00 20.42 C
ATOM 358 OG1 THR A 45 12.455 37.617 17.381 1.00 31.09 O
ATOM 359 CG2 THR A 45 10.116 37.446 17.830 1.00 19.07 C
ATOM 360 N GLU A 46 13.473 39.650 20.299 1.00 16.83 N
ATOM 361 CA GLU A 46 14.841 40.084 20.525 1.00 18.35 C
ATOM 362 C GLU A 46 15.703 39.040 21.232 1.00 16.66 C
ATOM 363 O GLU A 46 15.238 38.346 22.135 1.00 14.12 O
ATOM 364 CB GLU A 46 14.835 41.378 21.337 1.00 21.60 C
ATOM 365 CG GLU A 46 13.908 42.441 20.761 1.00 29.28 C
ATOM 366 CD GLU A 46 14.085 43.796 21.419 1.00 32.12 C
ATOM 367 OE1 GLU A 46 14.138 43.850 22.666 1.00 33.28 O
ATOM 368 OE2 GLU A 46 14.164 44.809 20.687 1.00 35.23 O
ATOM 369 N PRO A 47 16.975 38.917 20.816 1.00 15.01 N
ATOM 370 CA PRO A 47 17.923 37.964 21.399 1.00 14.70 C
ATOM 371 C PRO A 47 18.275 38.363 22.828 1.00 15.18 C
ATOM 372 O PRO A 47 18.378 39.554 23.143 1.00 12.67 O
ATOM 373 CB PRO A 47 19.121 38.051 20.454 1.00 14.82 C
ATOM 374 CG PRO A 47 19.085 39.486 20.011 1.00 16.44 C
ATOM 375 CD PRO A 47 17.607 39.669 19.714 1.00 16.91 C
ATOM 376 N ARG A 48 18.445 37.367 23.691 1.00 14.03 N
ATOM 377 CA ARG A 48 18.777 37.623 25.084 1.00 15.35 C
ATOM 378 C ARG A 48 19.995 36.820 25.538 1.00 16.32 C
ATOM 379 O ARG A 48 20.396 36.873 26.704 1.00 16.74 O
ATOM 380 CB ARG A 48 17.554 37.328 25.964 1.00 14.54 C
ATOM 381 CG ARG A 48 16.377 38.266 25.680 1.00 14.21 C
ATOM 382 CD ARG A 48 16.686 39.707 26.097 1.00 15.36 C
ATOM 383 NE ARG A 48 16.614 39.864 27.548 1.00 20.23 N
ATOM 384 CZ ARG A 48 17.028 40.935 28.220 1.00 21.95 C
ATOM 385 NH1 ARG A 48 17.558 41.975 27.580 1.00 22.73 N
ATOM 386 NH2 ARG A 48 16.918 40.963 29.542 1.00 20.59 N
ATOM 387 N ALA A 49 20.581 36.086 24.596 1.00 16.51 N
ATOM 388 CA ALA A 49 21.771 35.279 24.836 1.00 17.29 C
ATOM 389 C ALA A 49 22.646 35.451 23.604 1.00 18.56 C
ATOM 390 O ALA A 49 22.142 35.525 22.486 1.00 21.06 O
ATOM 391 CB ALA A 49 21.399 33.814 25.022 1.00 18.02 C
ATOM 392 N PRO A 50 23.971 35.514 23.789 1.00 20.35 N
ATOM 393 CA PRO A 50 24.937 35.689 22.698 1.00 20.69 C
ATOM 394 C PRO A 50 24.856 34.713 21.530 1.00 19.53 C
ATOM 395 O PRO A 50 24.840 35.124 20.366 1.00 19.07 O
ATOM 396 CB PRO A 50 26.284 35.608 23.417 1.00 22.31 C
ATOM 397 CG PRO A 50 25.968 36.190 24.767 1.00 23.35 C
ATOM 398 CD PRO A 50 24.655 35.511 25.095 1.00 20.49 C
ATOM 399 N TRP A 51 24.803 33.426 21.840 1.00 17.96 N
ATOM 400 CA TRP A 51 24.769 32.396 20.808 1.00 17.36 C
ATOM 401 C TRP A 51 23.586 32.402 19.841 1.00 16.94 C
ATOM 402 O TRP A 51 23.718 31.921 18.714 1.00 18.84 O
ATOM 403 CB TRP A 51 24.889 31.012 21.454 1.00 17.85 C
ATOM 404 CG TRP A 51 23.929 30.801 22.586 1.00 21.90 C
ATOM 405 CD1 TRP A 51 24.122 31.126 23.903 1.00 21.48 C
ATOM 406 CD2 TRP A 51 22.608 30.257 22.495 1.00 18.58 C
ATOM 407 NE1 TRP A 51 23.000 30.815 24.634 1.00 21.82 N
ATOM 408 CE2 TRP A 51 22.055 30.282 23.796 1.00 18.89 C
ATOM 409 CE3 TRP A 51 21.838 29.751 21.439 1.00 19.20 C
ATOM 410 CZ2 TRP A 51 20.766 29.820 24.070 1.00 17.43 C
ATOM 411 CZ3 TRP A 51 20.559 29.293 21.709 1.00 16.81 C
ATOM 412 CH2 TRP A 51 20.034 29.330 23.018 1.00 18.86 C
ATOM 413 N ILE A 52 22.438 32.935 20.258 1.00 15.72 N
ATOM 414 CA ILE A 52 21.262 32.950 19.385 1.00 14.69 C
ATOM 415 C ILE A 52 21.352 34.024 18.296 1.00 18.04 C
ATOM 416 O ILE A 52 20.744 33.900 17.231 1.00 15.11 O
ATOM 417 CB ILE A 52 19.959 33.195 20.190 1.00 14.94 C
ATOM 418 CG1 ILE A 52 18.738 32.865 19.326 1.00 11.76 C
ATOM 419 CG2 ILE A 52 19.878 34.653 20.641 1.00 11.04 C
ATOM 420 CD1 ILE A 52 18.575 31.390 19.042 1.00 12.36 C
ATOM 421 N GLU A 53 22.108 35.078 18.582 1.00 21.47 N
ATOM 422 CA GLU A 53 22.271 36.195 17.660 1.00 24.89 C
ATOM 423 C GLU A 53 22.695 35.808 16.250 1.00 26.20 C
ATOM 424 O GLU A 53 22.344 36.489 15.288 1.00 26.86 O
ATOM 425 CB GLU A 53 23.273 37.197 18.234 1.00 26.42 C
ATOM 426 CG GLU A 53 22.740 37.992 19.412 1.00 30.83 C
ATOM 427 CD GLU A 53 23.797 38.876 20.037 1.00 34.46 C
ATOM 428 OE1 GLU A 53 24.518 39.563 19.282 1.00 36.85 O
ATOM 429 OE2 GLU A 53 23.902 38.891 21.283 1.00 37.99 O
ATOM 430 N GLN A 54 23.445 34.720 16.121 1.00 26.61 N
ATOM 431 CA GLN A 54 23.895 34.295 14.809 1.00 27.83 C
ATOM 432 C GLN A 54 22.794 33.723 13.918 1.00 27.02 C
ATOM 433 O GLN A 54 23.031 33.462 12.742 1.00 28.57 O
ATOM 434 CB GLN A 54 25.064 33.306 14.940 1.00 31.03 C
ATOM 435 CG GLN A 54 24.797 32.044 15.746 1.00 36.02 C
ATOM 436 CD GLN A 54 24.069 30.981 14.948 1.00 39.95 C
ATOM 437 OE1 GLN A 54 22.851 31.042 14.769 1.00 41.60 O
ATOM 438 NE2 GLN A 54 24.820 30.001 14.451 1.00 40.94 N
ATOM 439 N GLU A 55 21.592 33.535 14.461 1.00 25.30 N
ATOM 440 CA GLU A 55 20.487 33.016 13.653 1.00 25.44 C
ATOM 441 C GLU A 55 20.127 34.049 12.583 1.00 26.38 C
ATOM 442 O GLU A 55 20.204 35.253 12.826 1.00 25.73 O
ATOM 443 CB GLU A 55 19.250 32.737 14.513 1.00 24.24 C
ATOM 444 CG GLU A 55 19.330 31.505 15.402 1.00 23.91 C
ATOM 445 CD GLU A 55 19.646 30.228 14.636 1.00 23.91 C
ATOM 446 OE1 GLU A 55 19.203 30.086 13.475 1.00 25.65 O
ATOM 447 OE2 GLU A 55 20.327 29.352 15.207 1.00 21.28 O
ATOM 448 N GLY A 56 19.721 33.578 11.408 1.00 26.34 N
ATOM 449 CA GLY A 56 19.373 34.484 10.324 1.00 27.32 C
ATOM 450 C GLY A 56 18.073 35.264 10.474 1.00 28.38 C
ATOM 451 O GLY A 56 17.257 34.970 11.351 1.00 27.76 O
ATOM 452 N PRO A 57 17.851 36.273 9.615 1.00 28.10 N
ATOM 453 CA PRO A 57 16.631 37.082 9.676 1.00 28.66 C
ATOM 454 C PRO A 57 15.355 36.270 9.469 1.00 28.34 C
ATOM 455 O PRO A 57 14.281 36.672 9.908 1.00 27.85 O
ATOM 456 CB PRO A 57 16.855 38.135 8.587 1.00 28.95 C
ATOM 457 CG PRO A 57 17.751 37.438 7.611 1.00 29.55 C
ATOM 458 CD PRO A 57 18.724 36.723 8.516 1.00 29.62 C
ATOM 459 N GLU A 58 15.474 35.126 8.805 1.00 28.92 N
ATOM 460 CA GLU A 58 14.318 34.272 8.572 1.00 30.02 C
ATOM 461 C GLU A 58 13.788 33.788 9.924 1.00 29.76 C
ATOM 462 O GLU A 58 12.579 33.786 10.174 1.00 30.12 O
ATOM 463 CB GLU A 58 14.705 33.064 7.715 1.00 33.52 C
ATOM 464 CG GLU A 58 15.460 33.402 6.436 1.00 39.90 C
ATOM 465 CD GLU A 58 16.886 33.856 6.702 1.00 43.03 C
ATOM 466 OE1 GLU A 58 17.653 33.089 7.323 1.00 44.08 O
ATOM 467 OE2 GLU A 58 17.241 34.979 6.288 1.00 45.44 O
ATOM 468 N TYR A 59 14.709 33.378 10.791 1.00 27.67 N
ATOM 469 CA TYR A 59 14.360 32.896 12.121 1.00 25.58 C
ATOM 470 C TYR A 59 13.646 33.970 12.930 1.00 24.86 C
ATOM 471 O TYR A 59 12.598 33.721 13.526 1.00 24.98 O
ATOM 472 CB TYR A 59 15.626 32.449 12.861 1.00 23.91 C
ATOM 473 CG TYR A 59 15.405 32.034 14.303 1.00 22.13 C
ATOM 474 CD1 TYR A 59 15.038 30.726 14.620 1.00 20.52 C
ATOM 475 CD2 TYR A 59 15.566 32.944 15.348 1.00 20.91 C
ATOM 476 CE1 TYR A 59 14.838 30.332 15.936 1.00 18.12 C
ATOM 477 CE2 TYR A 59 15.367 32.558 16.677 1.00 20.17 C
ATOM 478 CZ TYR A 59 15.004 31.249 16.959 1.00 19.98 C
ATOM 479 OH TYR A 59 14.806 30.849 18.258 1.00 18.72 O
ATOM 480 N TRP A 60 14.214 35.169 12.937 1.00 22.75 N
ATOM 481 CA TRP A 60 13.647 36.276 13.687 1.00 21.80 C
ATOM 482 C TRP A 60 12.284 36.754 13.206 1.00 22.15 C
ATOM 483 O TRP A 60 11.407 37.039 14.019 1.00 22.49 O
ATOM 484 CB TRP A 60 14.645 37.434 13.715 1.00 20.48 C
ATOM 485 CG TRP A 60 15.914 37.035 14.385 1.00 20.12 C
ATOM 486 CD1 TRP A 60 17.116 36.784 13.789 1.00 20.91 C
ATOM 487 CD2 TRP A 60 16.090 36.749 15.780 1.00 19.37 C
ATOM 488 NE1 TRP A 60 18.029 36.356 14.725 1.00 18.40 N
ATOM 489 CE2 TRP A 60 17.426 36.324 15.954 1.00 18.76 C
ATOM 490 CE3 TRP A 60 15.245 36.803 16.898 1.00 19.02 C
ATOM 491 CZ2 TRP A 60 17.940 35.953 17.205 1.00 18.97 C
ATOM 492 CZ3 TRP A 60 15.757 36.432 18.146 1.00 19.50 C
ATOM 493 CH2 TRP A 60 17.094 36.013 18.285 1.00 18.25 C
ATOM 494 N ASP A 61 12.090 36.839 11.895 1.00 22.91 N
ATOM 495 CA ASP A 61 10.802 37.288 11.384 1.00 22.87 C
ATOM 496 C ASP A 61 9.747 36.205 11.576 1.00 21.50 C
ATOM 497 O ASP A 61 8.568 36.502 11.774 1.00 22.20 O
ATOM 498 CB ASP A 61 10.918 37.684 9.912 1.00 25.64 C
ATOM 499 CG ASP A 61 11.823 38.894 9.706 1.00 29.44 C
ATOM 500 OD1 ASP A 61 11.664 39.902 10.431 1.00 30.74 O
ATOM 501 OD2 ASP A 61 12.693 38.843 8.815 1.00 34.15 O
ATOM 502 N ARG A 62 10.168 34.947 11.518 1.00 19.31 N
ATOM 503 CA ARG A 62 9.236 33.851 11.722 1.00 20.07 C
ATOM 504 C ARG A 62 8.786 33.913 13.181 1.00 18.24 C
ATOM 505 O ARG A 62 7.611 33.719 13.499 1.00 18.49 O
ATOM 506 CB ARG A 62 9.912 32.510 11.425 1.00 22.19 C
ATOM 507 CG ARG A 62 9.028 31.303 11.676 1.00 22.32 C
ATOM 508 CD ARG A 62 7.658 31.462 11.021 1.00 26.33 C
ATOM 509 NE ARG A 62 6.791 30.324 11.318 1.00 27.28 N
ATOM 510 CZ ARG A 62 5.468 30.331 11.186 1.00 29.38 C
ATOM 511 NH1 ARG A 62 4.842 31.422 10.759 1.00 29.56 N
ATOM 512 NH2 ARG A 62 4.768 29.248 11.498 1.00 29.93 N
ATOM 513 N ASN A 63 9.733 34.200 14.064 1.00 17.80 N
ATOM 514 CA ASN A 63 9.439 34.319 15.486 1.00 16.48 C
ATOM 515 C ASN A 63 8.409 35.424 15.723 1.00 15.28 C