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1JPG.pdb
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HEADER IMMUNE SYSTEM 02-AUG-01 1JPG
TITLE CRYSTAL STRUCTURE OF THE LCMV PEPTIDIC EPITOPE NP396 IN
TITLE 2 COMPLEX WITH THE MURINE CLASS I MHC MOLECULE H-2DB
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B
COMPND 3 ALPHA CHAIN;
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: EXTRACELLULAR DOMAINS;
COMPND 6 ENGINEERED: YES;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: BETA-2-MICROGLOBULIN;
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES;
COMPND 11 MOL_ID: 3;
COMPND 12 MOLECULE: LCMV PEPTIDIC EPITOPE NP396;
COMPND 13 CHAIN: C;
COMPND 14 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 MOL_ID: 2;
SOURCE 8 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 9 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 10 ORGANISM_TAXID: 10090;
SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 13 MOL_ID: 3;
SOURCE 14 SYNTHETIC: YES;
SOURCE 15 OTHER_DETAILS: SOLID-PHASE PEPTIDE SYNTHESIS
KEYWDS IG FOLD, IMMUNE SYSTEM
EXPDTA X-RAY DIFFRACTION
AUTHOR C.CIATTO,A.C.TISSOT,M.TSCHOPP,G.CAPITANI,F.PECORARI,
AUTHOR 2 A.PLUCKTHUN,M.G.GRUTTER
REVDAT 3 24-FEB-09 1JPG 1 VERSN
REVDAT 2 18-DEC-02 1JPG 1 REMARK
REVDAT 1 24-OCT-01 1JPG 0
JRNL AUTH C.CIATTO,A.C.TISSOT,M.TSCHOPP,G.CAPITANI,
JRNL AUTH 2 F.PECORARI,A.PLUCKTHUN,M.G.GRUTTER
JRNL TITL ZOOMING IN ON THE HYDROPHOBIC RIDGE OF H-2D(B):
JRNL TITL 2 IMPLICATIONS FOR THE CONFORMATIONAL VARIABILITY OF
JRNL TITL 3 BOUND PEPTIDES.
JRNL REF J.MOL.BIOL. V. 312 1059 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11580250
JRNL DOI 10.1006/JMBI.2001.5016
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.20 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 0.9
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 : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 23164
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.228
REMARK 3 FREE R VALUE : 0.288
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : 2285
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3158
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 33
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : NULL
REMARK 3 BOND ANGLES (DEGREES) : NULL
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
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 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1JPG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-AUG-01.
REMARK 100 THE RCSB ID CODE IS RCSB014033.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 08-DEC-98
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.4
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ESRF
REMARK 200 BEAMLINE : BM1A
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.873
REMARK 200 MONOCHROMATOR : SI
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23164
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 95.6
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
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) : 2.25
REMARK 200 COMPLETENESS FOR SHELL (%) : 79.7
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 53.88
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.67
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM PHOSPHATE, PEG8000, TRIS-
REMARK 280 HCL, PH 6.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
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 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 45.56100
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 54.97600
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 45.56100
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 54.97600
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 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A
REMARK 300 TERNARY COMPLEX CONSISTING OF
REMARK 300 H-2DB, BETA-2 MICROGLOBULIN,
REMARK 300 AND THE PEPTIDIC EPITOPE
REMARK 350
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 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 4370 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 19320 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 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-D1b (H2-D1b)
REMARK 410 IMGT receptor type
REMARK 410 MH
REMARK 410 IMGT receptor description
REMARK 410 MH1-ALPHA_B2M
REMARK 410 Species
REMARK 410 Mus musculus (house mouse)
REMARK 410 Chain ID
REMARK 410 1jpg_A,1jpg_B
REMARK 410
REMARK 410 ligand(s)
REMARK 410 Nucleoprotein peptide 396-404 (M20869)
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Peptide
REMARK 410 Species
REMARK 410 Lymphocytic choriomeningitis mammarenavirus
REMARK 410 Chain ID
REMARK 410 1jpg_C
REMARK 410
REMARK 410
REMARK 410 Chain ID 1jpg_A (1JPGA)
REMARK 410 IMGT chain description I-ALPHA
REMARK 410 Chain amino acid sequence
REMARK 410 [ G-ALPHA1 (1-89) [D1]
REMARK 410 MGPHSMRYFETAVSRPGLEEPRYISVGYVDNKEFVRFDSDAENPRYEPRAPWMEQEGPEYWERETQ
REMARK 410 ][ G-ALPH
REMARK 410 KAKGQEQWFRVSLRNLLGYYNQSAGGSHTLQQMSGCDLGSDWRLLRGYLQFAYEGRDYIALNEDLK
REMARK 410 A2 (90-181) [D2] ][
REMARK 410 TWTAADMAAQITRRKWEQSGAAEHYKAYLEGECVEWLHRYLKNGNATLLRTDSPKAHVTHHPRSKG
REMARK 410 C-LIKE (182-273) [D3]
REMARK 410 EVTLRCWALGFYPADITLTWQLNGEELTQDMELVETRPAGDGTFQKWASVVVPLGKEQNYTCRVYH
REMARK 410 ]
REMARK 410 EGLPEPLTLRWEPPPST
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA1
REMARK 410 G-DOMAIN IMGT gene and allele Mus musculus H2-D1b (100%)
REMARK 410 G-DOMAIN ..........GPHSMRY.FETAVSRPGLEEPRYISVGYVDNKEFVRFDSDAE
REMARK 410 G-DOMAIN NPRYEPRA.......PWMEQEGPEYWERETQKAKGQEQWFRVSLRNLLGYYN
REMARK 410 G-DOMAIN QSAG...
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA2
REMARK 410 G-DOMAIN IMGT gene and allele Mus musculus H2-D1b (100%)
REMARK 410 G-DOMAIN ..........GSHTLQQMSGCDLGSDWRLLRGYLQFAYEGRDYIALNED..L
REMARK 410 G-DOMAIN KTWTAAD.......MAAQITRRKWEQS.GAAEHYKAYLEGECVEWLHRYLKN
REMARK 410 G-DOMAIN GNATLLRT.
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Mus musculus H2-D1b (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .......DSPKAHVTHHPRSK......GEVTLRCWALGFYP..ADITLTWQL
REMARK 410 C-LIKE-DOMAIN NGEELTQ..DMELVETRPAGD......GTFQKWASVVVPLG.....KEQNYT
REMARK 410 C-LIKE-DOMAIN CRVYHEG..LPEPLTLRW
REMARK 410
REMARK 410 Chain ID 1jpg_B (1JPGB)
REMARK 410 IMGT chain description B2M
REMARK 410 Chain amino acid sequence
REMARK 410 [ C-LIKE (1-99) [D1]
REMARK 410 MIQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYIL
REMARK 410 ]
REMARK 410 AHTEFTPTETDTYACRVKHDSMAEPKTVYWDRDM
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Mus musculus B2M*01 (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .....IQKTPQIQVYSRHPPEN....GKPNILNCYVTQFHP..PHIEIQMLK
REMARK 410 C-LIKE-DOMAIN NGKKIP...KVEMSDMSFSKD......WSFYILAHTEFTPTE.....TDTYA
REMARK 410 C-LIKE-DOMAIN CRVKHDS..MAEPKTVYWDRDM
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET A 0
REMARK 465 GLY A 1
REMARK 465 PRO A 277
REMARK 465 PRO A 278
REMARK 465 SER A 279
REMARK 465 THR A 280
REMARK 465 MET B 0
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
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 ALA A 40 158.09 -46.86
REMARK 500 GLU A 41 -82.28 -48.43
REMARK 500 ALA A 89 9.33 -69.47
REMARK 500 ARG A 111 146.20 -170.08
REMARK 500 LEU A 114 101.69 -167.34
REMARK 500 LYS A 131 -24.87 -144.98
REMARK 500 GLN A 149 27.50 -68.95
REMARK 500 SER A 150 5.34 -159.42
REMARK 500 ASN A 176 -79.42 -58.91
REMARK 500 LEU A 180 43.02 -86.74
REMARK 500 ARG A 194 -145.87 -176.98
REMARK 500 SER A 195 149.57 -20.15
REMARK 500 GLU A 223 108.60 -52.18
REMARK 500 ASP A 227 64.79 68.42
REMARK 500 LYS A 253 22.21 -76.46
REMARK 500 GLN A 255 22.93 -68.92
REMARK 500 PRO A 269 161.49 -48.28
REMARK 500 TRP B 60 -16.26 75.15
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FG2 RELATED DB: PDB
REMARK 900 1FG2 CONTAINS THE SAME H-2DB MOLECULE COMPLEXED WITH LCMV
REMARK 900 PEPTIDE EPITOPE GP33.
REMARK 900 RELATED ID: 1JPF RELATED DB: PDB
REMARK 900 1JPF CONTAINS THE SAME H-2DB MOLECULE COMPLEXED WITH LCMV
REMARK 900 PEPTIDIC EPITOPE GP276.
DBREF 1JPG A 1 280 UNP P01899 HA11_MOUSE 25 304
DBREF 1JPG B 1 99 UNP P01887 B2MG_MOUSE 21 119
DBREF 1JPG C 1 9 PDB 1JPG 1JPG 1 9
SEQADV 1JPG MET A 0 UNP P01899 INITIATING MET
SEQADV 1JPG MET B 0 UNP P01887 INITIATING MET
SEQRES 1 A 281 MET GLY PRO HIS SER MET ARG TYR PHE GLU THR ALA VAL
SEQRES 2 A 281 SER ARG PRO GLY LEU GLU GLU PRO ARG TYR ILE SER VAL
SEQRES 3 A 281 GLY TYR VAL ASP ASN LYS GLU PHE VAL ARG PHE ASP SER
SEQRES 4 A 281 ASP ALA GLU ASN PRO ARG TYR GLU PRO ARG ALA PRO TRP
SEQRES 5 A 281 MET GLU GLN GLU GLY PRO GLU TYR TRP GLU ARG GLU THR
SEQRES 6 A 281 GLN LYS ALA LYS GLY GLN GLU GLN TRP PHE ARG VAL SER
SEQRES 7 A 281 LEU ARG ASN LEU LEU GLY TYR TYR ASN GLN SER ALA GLY
SEQRES 8 A 281 GLY SER HIS THR LEU GLN GLN MET SER GLY CYS ASP LEU
SEQRES 9 A 281 GLY SER ASP TRP ARG LEU LEU ARG GLY TYR LEU GLN PHE
SEQRES 10 A 281 ALA TYR GLU GLY ARG ASP TYR ILE ALA LEU ASN GLU ASP
SEQRES 11 A 281 LEU LYS THR TRP THR ALA ALA ASP MET ALA ALA GLN ILE
SEQRES 12 A 281 THR ARG ARG LYS TRP GLU GLN SER GLY ALA ALA GLU HIS
SEQRES 13 A 281 TYR LYS ALA TYR LEU GLU GLY GLU CYS VAL GLU TRP LEU
SEQRES 14 A 281 HIS ARG TYR LEU LYS ASN GLY ASN ALA THR LEU LEU ARG
SEQRES 15 A 281 THR ASP SER PRO LYS ALA HIS VAL THR HIS HIS PRO ARG
SEQRES 16 A 281 SER LYS GLY GLU VAL THR LEU ARG CYS TRP ALA LEU GLY
SEQRES 17 A 281 PHE TYR PRO ALA ASP ILE THR LEU THR TRP GLN LEU ASN
SEQRES 18 A 281 GLY GLU GLU LEU THR GLN ASP MET GLU LEU VAL GLU THR
SEQRES 19 A 281 ARG PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA SER
SEQRES 20 A 281 VAL VAL VAL PRO LEU GLY LYS GLU GLN ASN TYR THR CYS
SEQRES 21 A 281 ARG VAL TYR HIS GLU GLY LEU PRO GLU PRO LEU THR LEU
SEQRES 22 A 281 ARG TRP GLU PRO PRO PRO SER THR
SEQRES 1 B 100 MET ILE GLN LYS THR PRO GLN ILE GLN VAL TYR SER ARG
SEQRES 2 B 100 HIS PRO PRO GLU ASN GLY LYS PRO ASN ILE LEU ASN CYS
SEQRES 3 B 100 TYR VAL THR GLN PHE HIS PRO PRO HIS ILE GLU ILE GLN
SEQRES 4 B 100 MET LEU LYS ASN GLY LYS LYS ILE PRO LYS VAL GLU MET
SEQRES 5 B 100 SER ASP MET SER PHE SER LYS ASP TRP SER PHE TYR ILE
SEQRES 6 B 100 LEU ALA HIS THR GLU PHE THR PRO THR GLU THR ASP THR
SEQRES 7 B 100 TYR ALA CYS ARG VAL LYS HIS ASP SER MET ALA GLU PRO
SEQRES 8 B 100 LYS THR VAL TYR TRP ASP ARG ASP MET
SEQRES 1 C 9 PHE GLN PRO GLN ASN GLY GLN PHE ILE
FORMUL 4 HOH *33(H2 O)
HELIX 1 1 ALA A 49 GLU A 53 5 5
HELIX 2 2 GLY A 56 ASN A 86 1 31
HELIX 3 3 ASP A 1049 GLN A 1061 1 13
HELIX 4 4 GLY A 1062 GLY A 1072A 1 12
HELIX 5 5 GLY A 1072A GLY A 1085 1 14
HELIX 6 6 GLY A 1085 LEU A 1090 1 6
HELIX 7 7 GLY A 2094 GLN A 2100 5 4
SHEET 1 A 8 GLU A 46 PRO A 47 0
SHEET 2 A 8 LYS 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 N SER A 24 O PHE A 36
SHEET 4 A 8 SER A 4 SER A 13 -1 O ARG A 6 N TYR A 27
SHEET 5 A 8 HIS A1003 LEU A1013 -1 O HIS A1003 N SER A 13
SHEET 6 A 8 LEU A1019 TYR A1028 -1 N LEU A1020 O ASP A1012
SHEET 7 A 8 ARG A1031 LEU A1036 -1 O ARG A1031 N TYR A1028
SHEET 8 A 8 TRP A1045 ALA A1047 -1 N THR A1046 O ALA A1035
SHEET 1 B 4 LYS A2003 PRO A2010 0
SHEET 2 B 4 GLU A2018 PHE A2028 -1 N THR A2020 O HIS A2009
SHEET 3 B 4 PHE A2085B PRO A2092 -1 N PHE A2085B O PHE A2028
SHEET 4 B 4 GLU A2079 LEU A2080 -1 N GLU A2079 O SER A2088
SHEET 1 C 4 LYS A2003 PRO A2010 0
SHEET 2 C 4 GLU A2018 PHE A2028 -1 N THR A2020 O HIS A2009
SHEET 3 C 4 PHE A2085B PRO A2092 -1 N PHE A2085B O PHE A2028
SHEET 4 C 4 ARG A2084 PRO A2084A-1 N ARG A2084 O GLN A2085A
SHEET 1 D 4 GLU A2045A GLU A2045B 0
SHEET 2 D 4 THR A2038 LEU A2043 -1 N LEU A2043 O GLU A2045A
SHEET 3 D 4 TYR A2102 TYR A2107 -1 N THR A2103 O GLN A2042
SHEET 4 D 4 LEU A2117 LEU A2119 -1 N LEU A2117 O VAL A2106
SHEET 1 E 4 GLN B 3 SER B 8 0
SHEET 2 E 4 ASN B 19 PHE B 28 -1 N ASN B 22 O TYR B 7
SHEET 3 E 4 PHE B 85B PHE B 91 -1 N PHE B 85B O PHE B 28
SHEET 4 E 4 GLU B 79 MET B 80 -1 N GLU B 79 O HIS B 88
SHEET 1 F 4 GLN B 3 SER B 8 0
SHEET 2 F 4 ASN B 19 PHE B 28 -1 N ASN B 22 O TYR B 7
SHEET 3 F 4 PHE B 85B PHE B 91 -1 N PHE B 85B O PHE B 28
SHEET 4 F 4 SER B 84 PHE B 84A-1 O SER B 84 N TYR B 85A
SHEET 1 G 4 LYS B 45A LYS B 45B 0
SHEET 2 G 4 GLU B 38 LYS B 43 -1 N LYS B 43 O LYS B 45A
SHEET 3 G 4 TYR B 102 LYS B 107 -1 O ALA B 103 N LEU B 42
SHEET 4 G 4 LYS B 117 TYR 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 -0.18
CISPEP 2 HIS B 29 PRO B 30 0 0.10
CRYST1 91.122 109.952 57.744 90.00 122.88 90.00 C 1 2 1 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 0.010974 0.000000 0.007094 0.00000
SCALE2 0.000000 0.009095 0.000000 0.00000
SCALE3 0.000000 0.000000 0.020621 0.00000
ATOM 1 N PRO A 1 -0.318 -9.332 30.957 1.00 76.09 N
ATOM 2 CA PRO A 1 1.087 -8.988 30.613 1.00 76.77 C
ATOM 3 C PRO A 1 1.153 -7.832 29.606 1.00 76.27 C
ATOM 4 O PRO A 1 2.039 -7.794 28.745 1.00 79.67 O
ATOM 5 CB PRO A 1 1.723 -10.244 30.032 1.00 78.00 C
ATOM 6 CG PRO A 1 0.838 -11.348 30.644 1.00 81.64 C
ATOM 7 CD PRO A 1 -0.578 -10.754 30.665 1.00 75.43 C
ATOM 8 N HIS A 2 0.221 -6.890 29.732 1.00 69.58 N
ATOM 9 CA HIS A 2 0.142 -5.734 28.840 1.00 61.58 C
ATOM 10 C HIS A 2 0.959 -4.540 29.317 1.00 59.04 C
ATOM 11 O HIS A 2 1.503 -4.538 30.425 1.00 62.05 O
ATOM 12 CB HIS A 2 -1.312 -5.303 28.698 1.00 59.64 C
ATOM 13 CG HIS A 2 -2.211 -6.386 28.195 1.00 58.57 C
ATOM 14 ND1 HIS A 2 -2.273 -6.743 26.866 1.00 53.60 N
ATOM 15 CD2 HIS A 2 -3.068 -7.206 28.847 1.00 55.17 C
ATOM 16 CE1 HIS A 2 -3.130 -7.735 26.720 1.00 55.05 C
ATOM 17 NE2 HIS A 2 -3.627 -8.034 27.907 1.00 57.29 N
ATOM 18 N SER A 3 1.026 -3.511 28.479 1.00 52.35 N
ATOM 19 CA SER A 3 1.771 -2.313 28.822 1.00 47.57 C
ATOM 20 C SER A 3 1.481 -1.163 27.880 1.00 48.81 C
ATOM 21 O SER A 3 0.902 -1.351 26.801 1.00 47.07 O
ATOM 22 CB SER A 3 3.270 -2.600 28.787 1.00 46.60 C
ATOM 23 OG SER A 3 3.689 -2.923 27.471 1.00 48.42 O
ATOM 24 N MET A 4 1.887 0.030 28.306 1.00 43.87 N
ATOM 25 CA MET A 4 1.738 1.241 27.512 1.00 39.52 C
ATOM 26 C MET A 4 2.988 2.096 27.732 1.00 41.36 C
ATOM 27 O MET A 4 3.462 2.237 28.857 1.00 46.80 O
ATOM 28 CB MET A 4 0.484 2.021 27.916 1.00 32.75 C
ATOM 29 CG MET A 4 0.344 3.352 27.144 1.00 31.63 C
ATOM 30 SD MET A 4 -1.263 4.115 27.301 1.00 33.16 S
ATOM 31 CE MET A 4 -1.223 4.689 29.027 1.00 38.68 C
ATOM 32 N ARG A 5 3.538 2.647 26.658 1.00 40.99 N
ATOM 33 CA ARG A 5 4.729 3.471 26.769 1.00 35.94 C
ATOM 34 C ARG A 5 4.620 4.682 25.872 1.00 35.10 C
ATOM 35 O ARG A 5 3.936 4.645 24.842 1.00 36.14 O
ATOM 36 CB ARG A 5 5.978 2.703 26.336 1.00 39.07 C
ATOM 37 CG ARG A 5 6.379 1.530 27.198 1.00 44.07 C
ATOM 38 CD ARG A 5 6.663 1.941 28.630 1.00 47.53 C
ATOM 39 NE ARG A 5 6.641 0.767 29.500 1.00 47.72 N
ATOM 40 CZ ARG A 5 7.621 -0.123 29.565 1.00 54.31 C
ATOM 41 NH1 ARG A 5 8.709 0.035 28.822 1.00 61.54 N
ATOM 42 NH2 ARG A 5 7.497 -1.188 30.342 1.00 50.37 N
ATOM 43 N TYR A 6 5.276 5.764 26.263 1.00 29.90 N
ATOM 44 CA TYR A 6 5.317 6.943 25.412 1.00 28.51 C
ATOM 45 C TYR A 6 6.790 7.224 25.246 1.00 28.74 C
ATOM 46 O TYR A 6 7.517 7.364 26.229 1.00 36.98 O
ATOM 47 CB TYR A 6 4.576 8.117 26.037 1.00 24.56 C
ATOM 48 CG TYR A 6 3.095 8.091 25.723 1.00 29.40 C
ATOM 49 CD1 TYR A 6 2.571 8.751 24.600 1.00 25.54 C
ATOM 50 CD2 TYR A 6 2.217 7.390 26.532 1.00 31.05 C
ATOM 51 CE1 TYR A 6 1.170 8.707 24.303 1.00 19.85 C
ATOM 52 CE2 TYR A 6 0.851 7.332 26.251 1.00 32.46 C
ATOM 53 CZ TYR A 6 0.330 7.998 25.136 1.00 24.99 C
ATOM 54 OH TYR A 6 -1.043 7.964 24.949 1.00 29.04 O
ATOM 55 N PHE A 7 7.242 7.207 23.995 1.00 29.24 N
ATOM 56 CA PHE A 7 8.634 7.448 23.655 1.00 24.22 C
ATOM 57 C PHE A 7 8.702 8.863 23.064 1.00 29.11 C
ATOM 58 O PHE A 7 8.159 9.114 21.968 1.00 36.53 O
ATOM 59 CB PHE A 7 9.100 6.423 22.621 1.00 25.88 C
ATOM 60 CG PHE A 7 9.480 5.062 23.193 1.00 29.08 C
ATOM 61 CD1 PHE A 7 8.882 4.559 24.347 1.00 31.78 C
ATOM 62 CD2 PHE A 7 10.477 4.300 22.575 1.00 28.45 C
ATOM 63 CE1 PHE A 7 9.277 3.317 24.888 1.00 31.31 C
ATOM 64 CE2 PHE A 7 10.871 3.066 23.106 1.00 28.98 C
ATOM 65 CZ PHE A 7 10.272 2.573 24.266 1.00 22.53 C
ATOM 66 N GLU A 8 9.345 9.786 23.781 1.00 25.46 N
ATOM 67 CA GLU A 8 9.445 11.158 23.337 1.00 17.20 C
ATOM 68 C GLU A 8 10.863 11.544 22.996 1.00 26.01 C
ATOM 69 O GLU A 8 11.824 11.109 23.647 1.00 30.38 O
ATOM 70 CB GLU A 8 8.882 12.076 24.397 1.00 17.91 C
ATOM 71 CG GLU A 8 7.519 11.632 24.845 1.00 23.51 C
ATOM 72 CD GLU A 8 6.907 12.559 25.842 1.00 33.78 C
ATOM 73 OE1 GLU A 8 7.183 13.780 25.749 1.00 40.63 O
ATOM 74 OE2 GLU A 8 6.137 12.068 26.712 1.00 37.61 O
ATOM 75 N THR A 9 10.981 12.361 21.953 1.00 29.96 N
ATOM 76 CA THR A 9 12.251 12.824 21.450 1.00 32.51 C
ATOM 77 C THR A 9 12.194 14.294 21.078 1.00 32.31 C
ATOM 78 O THR A 9 11.214 14.755 20.486 1.00 30.93 O
ATOM 79 CB THR A 9 12.637 12.109 20.169 1.00 32.01 C
ATOM 80 OG1 THR A 9 12.579 10.690 20.353 1.00 37.63 O
ATOM 81 CG2 THR A 9 14.006 12.521 19.749 1.00 26.82 C
ATOM 82 N ALA A 10 13.264 15.013 21.405 1.00 34.87 N
ATOM 83 CA ALA A 10 13.381 16.419 21.060 1.00 34.61 C
ATOM 84 C ALA A 10 14.806 16.581 20.555 1.00 38.72 C
ATOM 85 O ALA A 10 15.771 16.201 21.236 1.00 37.80 O
ATOM 86 CB ALA A 10 13.134 17.284 22.259 1.00 34.99 C
ATOM 87 N VAL A 11 14.947 17.130 19.353 1.00 45.33 N
ATOM 88 CA VAL A 11 16.268 17.299 18.761 1.00 48.14 C
ATOM 89 C VAL A 11 16.498 18.734 18.376 1.00 51.02 C
ATOM 90 O VAL A 11 15.709 19.313 17.642 1.00 51.45 O
ATOM 91 CB VAL A 11 16.426 16.434 17.505 1.00 46.12 C
ATOM 92 CG1 VAL A 11 17.902 16.239 17.188 1.00 48.63 C
ATOM 93 CG2 VAL A 11 15.735 15.109 17.710 1.00 43.67 C
ATOM 94 N SER A 12 17.574 19.319 18.889 1.00 55.04 N
ATOM 95 CA SER A 12 17.885 20.699 18.568 1.00 59.22 C
ATOM 96 C SER A 12 18.684 20.672 17.281 1.00 63.22 C
ATOM 97 O SER A 12 19.379 19.694 16.983 1.00 55.75 O
ATOM 98 CB SER A 12 18.711 21.349 19.676 1.00 59.45 C
ATOM 99 OG SER A 12 20.045 20.879 19.653 1.00 63.21 O
ATOM 100 N ARG A 13 18.577 21.755 16.525 1.00 73.41 N
ATOM 101 CA ARG A 13 19.265 21.886 15.250 1.00 84.27 C
ATOM 102 C ARG A 13 19.938 23.264 15.118 1.00 87.93 C
ATOM 103 O ARG A 13 19.456 24.266 15.662 1.00 87.71 O
ATOM 104 CB ARG A 13 18.256 21.647 14.125 1.00 88.52 C
ATOM 105 CG ARG A 13 16.835 22.060 14.510 1.00 93.51 C
ATOM 106 CD ARG A 13 15.795 21.587 13.501 1.00 99.08 C
ATOM 107 NE ARG A 13 14.440 21.933 13.927 1.00100.00 N
ATOM 108 CZ ARG A 13 13.345 21.717 13.203 1.00100.00 C
ATOM 109 NH1 ARG A 13 13.433 21.152 12.004 1.00100.00 N
ATOM 110 NH2 ARG A 13 12.158 22.070 13.681 1.00100.00 N
ATOM 111 N PRO A 14 21.066 23.324 14.389 1.00 89.47 N
ATOM 112 CA PRO A 14 21.827 24.559 14.174 1.00 90.80 C
ATOM 113 C PRO A 14 20.968 25.787 13.886 1.00 93.02 C
ATOM 114 O PRO A 14 20.110 25.769 13.001 1.00 89.06 O
ATOM 115 CB PRO A 14 22.734 24.196 13.003 1.00 89.16 C
ATOM 116 CG PRO A 14 23.012 22.747 13.250 1.00 83.96 C
ATOM 117 CD PRO A 14 21.637 22.220 13.593 1.00 86.30 C
ATOM 118 N GLY A 15 21.212 26.853 14.643 1.00 94.81 N
ATOM 119 CA GLY A 15 20.461 28.081 14.456 1.00 97.43 C
ATOM 120 C GLY A 15 19.599 28.418 15.655 1.00 99.86 C
ATOM 121 O GLY A 15 19.726 27.797 16.713 1.00100.00 O
ATOM 122 N LEU A 16 18.721 29.404 15.493 1.00100.00 N
ATOM 123 CA LEU A 16 17.831 29.819 16.571 1.00 99.25 C
ATOM 124 C LEU A 16 16.416 29.285 16.332 1.00 98.21 C
ATOM 125 O LEU A 16 15.439 29.807 16.872 1.00 96.70 O
ATOM 126 CB LEU A 16 17.810 31.347 16.674 1.00 99.35 C
ATOM 127 CG LEU A 16 17.082 31.940 17.885 1.00100.00 C
ATOM 128 CD1 LEU A 16 17.711 31.421 19.174 1.00100.00 C
ATOM 129 CD2 LEU A 16 17.149 33.463 17.827 1.00100.00 C
ATOM 130 N GLU A 17 16.324 28.238 15.515 1.00 95.93 N
ATOM 131 CA GLU A 17 15.054 27.593 15.186 1.00 90.28 C
ATOM 132 C GLU A 17 14.727 26.521 16.227 1.00 86.98 C
ATOM 133 O GLU A 17 15.460 25.541 16.361 1.00 89.58 O
ATOM 134 CB GLU A 17 15.153 26.957 13.803 1.00 87.40 C
ATOM 135 CG GLU A 17 16.397 26.110 13.635 1.00 86.76 C
ATOM 136 CD GLU A 17 16.602 25.657 12.211 1.00 92.73 C
ATOM 137 OE1 GLU A 17 15.822 24.805 11.730 1.00 90.07 O
ATOM 138 OE2 GLU A 17 17.546 26.163 11.569 1.00 97.18 O
ATOM 139 N GLU A 18 13.626 26.712 16.953 1.00 81.24 N
ATOM 140 CA GLU A 18 13.202 25.777 17.993 1.00 75.28 C
ATOM 141 C GLU A 18 13.375 24.314 17.551 1.00 73.01 C
ATOM 142 O GLU A 18 13.226 23.983 16.372 1.00 68.73 O
ATOM 143 CB GLU A 18 11.738 26.052 18.386 1.00 72.39 C
ATOM 144 CG GLU A 18 11.324 25.462 19.744 1.00 68.95 C
ATOM 145 CD GLU A 18 9.863 25.704 20.100 1.00 68.82 C
ATOM 146 OE1 GLU A 18 8.974 25.251 19.343 1.00 73.45 O
ATOM 147 OE2 GLU A 18 9.600 26.339 21.141 1.00 60.80 O
ATOM 148 N PRO A 19 13.704 23.420 18.500 1.00 68.87 N
ATOM 149 CA PRO A 19 13.900 21.998 18.210 1.00 64.09 C
ATOM 150 C PRO A 19 12.630 21.292 17.783 1.00 57.12 C
ATOM 151 O PRO A 19 11.532 21.748 18.068 1.00 60.03 O
ATOM 152 CB PRO A 19 14.415 21.447 19.536 1.00 64.47 C
ATOM 153 CG PRO A 19 13.686 22.286 20.525 1.00 63.76 C
ATOM 154 CD PRO A 19 13.860 23.673 19.944 1.00 65.96 C
ATOM 155 N ARG A 20 12.789 20.170 17.099 1.00 49.27 N
ATOM 156 CA ARG A 20 11.644 19.384 16.672 1.00 45.48 C
ATOM 157 C ARG A 20 11.332 18.410 17.806 1.00 41.65 C
ATOM 158 O ARG A 20 12.240 17.793 18.368 1.00 41.22 O
ATOM 159 CB ARG A 20 11.989 18.625 15.398 1.00 48.05 C
ATOM 160 CG ARG A 20 10.910 17.690 14.901 1.00 49.70 C
ATOM 161 CD ARG A 20 11.389 16.968 13.644 1.00 52.38 C
ATOM 162 NE ARG A 20 10.382 16.069 13.090 1.00 57.52 N
ATOM 163 CZ ARG A 20 10.576 15.295 12.028 1.00 60.76 C
ATOM 164 NH1 ARG A 20 11.742 15.309 11.397 1.00 60.14 N
ATOM 165 NH2 ARG A 20 9.607 14.495 11.603 1.00 60.69 N
ATOM 166 N TYR A 21 10.053 18.302 18.151 1.00 35.80 N
ATOM 167 CA TYR A 21 9.596 17.425 19.214 1.00 33.37 C
ATOM 168 C TYR A 21 8.713 16.320 18.632 1.00 40.05 C
ATOM 169 O TYR A 21 7.719 16.606 17.973 1.00 42.98 O
ATOM 170 CB TYR A 21 8.780 18.222 20.229 1.00 25.85 C
ATOM 171 CG TYR A 21 7.989 17.365 21.190 1.00 30.09 C
ATOM 172 CD1 TYR A 21 8.632 16.595 22.166 1.00 28.35 C
ATOM 173 CD2 TYR A 21 6.603 17.291 21.114 1.00 31.53 C
ATOM 174 CE1 TYR A 21 7.908 15.774 23.041 1.00 21.21 C
ATOM 175 CE2 TYR A 21 5.871 16.464 21.983 1.00 32.43 C
ATOM 176 CZ TYR A 21 6.542 15.704 22.949 1.00 29.03 C
ATOM 177 OH TYR A 21 5.841 14.860 23.804 1.00 27.38 O
ATOM 178 N ILE A 22 9.070 15.064 18.880 1.00 40.11 N
ATOM 179 CA ILE A 22 8.273 13.934 18.397 1.00 38.39 C
ATOM 180 C ILE A 22 7.904 13.038 19.562 1.00 35.90 C
ATOM 181 O ILE A 22 8.771 12.654 20.352 1.00 37.45 O
ATOM 182 CB ILE A 22 9.027 13.048 17.383 1.00 37.63 C
ATOM 183 CG1 ILE A 22 9.210 13.785 16.062 1.00 32.81 C
ATOM 184 CG2 ILE A 22 8.252 11.752 17.163 1.00 27.53 C
ATOM 185 CD1 ILE A 22 10.154 13.058 15.109 1.00 46.29 C
ATOM 186 N SER A 23 6.625 12.703 19.657 1.00 33.60 N
ATOM 187 CA SER A 23 6.138 11.835 20.718 1.00 33.95 C
ATOM 188 C SER A 23 5.324 10.682 20.107 1.00 35.67 C
ATOM 189 O SER A 23 4.409 10.917 19.307 1.00 39.00 O
ATOM 190 CB SER A 23 5.261 12.634 21.678 1.00 28.83 C
ATOM 191 OG SER A 23 4.893 11.838 22.780 1.00 36.09 O
ATOM 192 N VAL A 24 5.661 9.450 20.491 1.00 33.90 N
ATOM 193 CA VAL A 24 4.990 8.242 19.989 1.00 31.79 C
ATOM 194 C VAL A 24 4.469 7.371 21.141 1.00 35.23 C
ATOM 195 O VAL A 24 5.182 7.124 22.117 1.00 36.18 O
ATOM 196 CB VAL A 24 5.970 7.380 19.164 1.00 31.85 C
ATOM 197 CG1 VAL A 24 5.251 6.125 18.598 1.00 26.34 C
ATOM 198 CG2 VAL A 24 6.605 8.212 18.071 1.00 27.01 C
ATOM 199 N GLY A 25 3.230 6.909 21.035 1.00 35.88 N
ATOM 200 CA GLY A 25 2.671 6.060 22.075 1.00 34.50 C
ATOM 201 C GLY A 25 2.593 4.602 21.639 1.00 37.59 C
ATOM 202 O GLY A 25 2.433 4.332 20.454 1.00 44.86 O
ATOM 203 N TYR A 26 2.714 3.669 22.583 1.00 37.98 N
ATOM 204 CA TYR A 26 2.628 2.237 22.302 1.00 35.89 C
ATOM 205 C TYR A 26 1.761 1.513 23.323 1.00 40.89 C
ATOM 206 O TYR A 26 1.690 1.904 24.507 1.00 38.33 O
ATOM 207 CB TYR A 26 3.995 1.543 22.352 1.00 30.34 C
ATOM 208 CG TYR A 26 5.031 2.069 21.390 1.00 34.77 C
ATOM 209 CD1 TYR A 26 5.763 3.220 21.683 1.00 34.91 C
ATOM 210 CD2 TYR A 26 5.252 1.441 20.161 1.00 31.53 C
ATOM 211 CE1 TYR A 26 6.678 3.737 20.783 1.00 29.91 C
ATOM 212 CE2 TYR A 26 6.180 1.957 19.244 1.00 31.65 C
ATOM 213 CZ TYR A 26 6.884 3.106 19.568 1.00 31.28 C
ATOM 214 OH TYR A 26 7.801 3.613 18.683 1.00 30.08 O
ATOM 215 N VAL A 27 1.119 0.447 22.839 1.00 46.60 N
ATOM 216 CA VAL A 27 0.301 -0.456 23.643 1.00 47.97 C
ATOM 217 C VAL A 27 0.745 -1.860 23.224 1.00 48.66 C
ATOM 218 O VAL A 27 0.588 -2.259 22.057 1.00 47.67 O
ATOM 219 CB VAL A 27 -1.205 -0.310 23.379 1.00 48.00 C
ATOM 220 CG1 VAL A 27 -1.968 -1.339 24.221 1.00 44.73 C
ATOM 221 CG2 VAL A 27 -1.662 1.096 23.726 1.00 47.65 C
ATOM 222 N ASP A 28 1.321 -2.593 24.174 1.00 46.53 N
ATOM 223 CA ASP A 28 1.821 -3.933 23.917 1.00 49.54 C
ATOM 224 C ASP A 28 2.854 -3.867 22.803 1.00 47.30 C
ATOM 225 O ASP A 28 2.953 -4.763 21.971 1.00 54.95 O
ATOM 226 CB ASP A 28 0.672 -4.870 23.533 1.00 56.05 C
ATOM 227 CG ASP A 28 -0.227 -5.206 24.715 1.00 61.92 C
ATOM 228 OD1 ASP A 28 -0.170 -4.488 25.740 1.00 62.59 O
ATOM 229 OD2 ASP A 28 -0.998 -6.186 24.615 1.00 65.05 O
ATOM 230 N ASN A 29 3.615 -2.785 22.794 1.00 44.46 N
ATOM 231 CA ASN A 29 4.668 -2.574 21.809 1.00 46.74 C
ATOM 232 C ASN A 29 4.194 -2.241 20.396 1.00 43.35 C
ATOM 233 O ASN A 29 4.967 -2.320 19.447 1.00 41.97 O
ATOM 234 CB ASN A 29 5.595 -3.787 21.776 1.00 48.36 C
ATOM 235 CG ASN A 29 6.168 -4.111 23.144 1.00 51.22 C
ATOM 236 OD1 ASN A 29 6.818 -3.271 23.773 1.00 55.07 O
ATOM 237 ND2 ASN A 29 5.928 -5.330 23.614 1.00 48.56 N
ATOM 238 N LYS A 30 2.934 -1.850 20.259 1.00 42.27 N
ATOM 239 CA LYS A 30 2.407 -1.488 18.944 1.00 43.92 C
ATOM 240 C LYS A 30 2.113 0.017 18.908 1.00 44.39 C
ATOM 241 O LYS A 30 1.410 0.528 19.773 1.00 48.40 O
ATOM 242 CB LYS A 30 1.122 -2.273 18.667 1.00 50.24 C
ATOM 243 CG LYS A 30 0.730 -2.360 17.201 1.00 58.96 C
ATOM 244 CD LYS A 30 0.386 -1.011 16.593 1.00 64.56 C
ATOM 245 CE LYS A 30 -0.188 -1.184 15.191 1.00 59.16 C
ATOM 246 NZ LYS A 30 -1.431 -2.011 15.239 1.00 64.94 N
ATOM 247 N GLU A 31 2.643 0.729 17.915 1.00 47.17 N
ATOM 248 CA GLU A 31 2.399 2.176 17.827 1.00 42.49 C
ATOM 249 C GLU A 31 0.905 2.434 17.645 1.00 41.34 C
ATOM 250 O GLU A 31 0.292 1.880 16.735 1.00 44.64 O
ATOM 251 CB GLU A 31 3.175 2.792 16.651 1.00 37.86 C
ATOM 252 CG GLU A 31 3.079 4.327 16.584 1.00 30.42 C
ATOM 253 CD GLU A 31 3.974 4.948 15.518 1.00 33.37 C
ATOM 254 OE1 GLU A 31 5.097 4.447 15.306 1.00 37.92 O
ATOM 255 OE2 GLU A 31 3.573 5.964 14.904 1.00 37.29 O
ATOM 256 N PHE A 32 0.311 3.258 18.507 1.00 42.88 N
ATOM 257 CA PHE A 32 -1.109 3.555 18.368 1.00 41.33 C
ATOM 258 C PHE A 32 -1.446 5.037 18.245 1.00 40.31 C
ATOM 259 O PHE A 32 -2.548 5.379 17.842 1.00 41.98 O
ATOM 260 CB PHE A 32 -1.920 2.918 19.506 1.00 44.11 C
ATOM 261 CG PHE A 32 -1.875 3.674 20.819 1.00 41.21 C
ATOM 262 CD1 PHE A 32 -0.687 3.814 21.526 1.00 41.26 C
ATOM 263 CD2 PHE A 32 -3.045 4.203 21.357 1.00 37.80 C
ATOM 264 CE1 PHE A 32 -0.660 4.471 22.761 1.00 42.69 C
ATOM 265 CE2 PHE A 32 -3.041 4.865 22.585 1.00 42.86 C
ATOM 266 CZ PHE A 32 -1.841 5.001 23.298 1.00 37.00 C
ATOM 267 N VAL A 33 -0.505 5.911 18.592 1.00 43.64 N
ATOM 268 CA VAL A 33 -0.702 7.361 18.489 1.00 41.39 C
ATOM 269 C VAL A 33 0.643 8.017 18.203 1.00 43.14 C
ATOM 270 O VAL A 33 1.699 7.488 18.580 1.00 42.21 O
ATOM 271 CB VAL A 33 -1.282 8.001 19.787 1.00 44.45 C
ATOM 272 CG1 VAL A 33 -2.716 7.547 20.008 1.00 47.28 C
ATOM 273 CG2 VAL A 33 -0.410 7.651 20.992 1.00 39.73 C
ATOM 274 N ARG A 34 0.603 9.186 17.572 1.00 44.41 N
ATOM 275 CA ARG A 34 1.822 9.882 17.210 1.00 41.63 C
ATOM 276 C ARG A 34 1.605 11.394 17.078 1.00 43.94 C
ATOM 277 O ARG A 34 0.529 11.841 16.669 1.00 47.84 O
ATOM 278 CB ARG A 34 2.320 9.295 15.894 1.00 41.63 C
ATOM 279 CG ARG A 34 3.686 9.734 15.468 1.00 36.58 C
ATOM 280 CD ARG A 34 4.274 8.741 14.475 1.00 28.09 C
ATOM 281 NE ARG A 34 5.645 9.121 14.214 1.00 39.12 N
ATOM 282 CZ ARG A 34 6.707 8.393 14.530 1.00 41.23 C
ATOM 283 NH1 ARG A 34 6.569 7.210 15.109 1.00 36.61 N
ATOM 284 NH2 ARG A 34 7.919 8.884 14.303 1.00 50.59 N
ATOM 285 N PHE A 35 2.627 12.167 17.445 1.00 42.34 N
ATOM 286 CA PHE A 35 2.599 13.626 17.360 1.00 39.60 C
ATOM 287 C PHE A 35 3.954 14.099 16.889 1.00 40.15 C
ATOM 288 O PHE A 35 4.979 13.581 17.335 1.00 44.03 O
ATOM 289 CB PHE A 35 2.293 14.272 18.710 1.00 41.03 C
ATOM 290 CG PHE A 35 2.383 15.774 18.690 1.00 40.97 C
ATOM 291 CD1 PHE A 35 3.616 16.414 18.760 1.00 47.76 C
ATOM 292 CD2 PHE A 35 1.230 16.553 18.573 1.00 41.29 C
ATOM 293 CE1 PHE A 35 3.703 17.815 18.714 1.00 48.30 C
ATOM 294 CE2 PHE A 35 1.303 17.946 18.522 1.00 37.87 C
ATOM 295 CZ PHE A 35 2.543 18.579 18.594 1.00 41.48 C
ATOM 296 N ASP A 36 3.949 15.098 16.006 1.00 45.18 N
ATOM 297 CA ASP A 36 5.172 15.644 15.427 1.00 45.71 C
ATOM 298 C ASP A 36 5.035 17.153 15.276 1.00 45.77 C
ATOM 299 O ASP A 36 4.055 17.633 14.723 1.00 51.62 O
ATOM 300 CB ASP A 36 5.407 15.002 14.059 1.00 39.00 C
ATOM 301 CG ASP A 36 6.765 15.308 13.490 1.00 40.06 C
ATOM 302 OD1 ASP A 36 7.225 16.481 13.567 1.00 37.28 O
ATOM 303 OD2 ASP A 36 7.368 14.362 12.946 1.00 38.80 O
ATOM 304 N SER A 37 6.024 17.899 15.753 1.00 48.86 N
ATOM 305 CA SER A 37 5.981 19.357 15.685 1.00 48.77 C
ATOM 306 C SER A 37 6.315 19.894 14.296 1.00 54.14 C
ATOM 307 O SER A 37 6.031 21.051 13.994 1.00 59.61 O
ATOM 308 CB SER A 37 6.960 19.965 16.694 1.00 42.57 C
ATOM 309 OG SER A 37 8.299 19.765 16.270 1.00 46.90 O
ATOM 310 N ASP A 38 6.935 19.067 13.463 1.00 58.01 N
ATOM 311 CA ASP A 38 7.302 19.485 12.114 1.00 61.12 C
ATOM 312 C ASP A 38 6.099 19.543 11.181 1.00 61.74 C
ATOM 313 O ASP A 38 6.026 20.397 10.294 1.00 57.36 O
ATOM 314 CB ASP A 38 8.344 18.530 11.543 1.00 66.41 C
ATOM 315 CG ASP A 38 9.730 19.130 11.524 1.00 72.44 C
ATOM 316 OD1 ASP A 38 10.047 19.920 12.443 1.00 75.75 O
ATOM 317 OD2 ASP A 38 10.502 18.804 10.596 1.00 71.31 O
ATOM 318 N ALA A 39 5.152 18.638 11.399 1.00 62.24 N
ATOM 319 CA ALA A 39 3.951 18.567 10.578 1.00 64.95 C
ATOM 320 C ALA A 39 3.272 19.916 10.335 1.00 68.65 C
ATOM 321 O ALA A 39 3.463 20.881 11.082 1.00 62.22 O
ATOM 322 CB ALA A 39 2.952 17.588 11.202 1.00 57.19 C
ATOM 323 N GLU A 40 2.487 19.952 9.262 1.00 74.33 N
ATOM 324 CA GLU A 40 1.717 21.119 8.842 1.00 75.84 C
ATOM 325 C GLU A 40 0.958 21.680 10.038 1.00 76.50 C
ATOM 326 O GLU A 40 1.390 22.645 10.667 1.00 77.71 O
ATOM 327 CB GLU A 40 0.743 20.681 7.754 1.00 84.69 C
ATOM 328 CG GLU A 40 0.108 19.315 8.045 1.00 91.99 C
ATOM 329 CD GLU A 40 -0.614 18.723 6.841 1.00100.00 C
ATOM 330 OE1 GLU A 40 0.026 18.569 5.776 1.00100.00 O
ATOM 331 OE2 GLU A 40 -1.820 18.404 6.960 1.00100.00 O
ATOM 332 N ASN A 41 -0.189 21.081 10.332 1.00 75.17 N
ATOM 333 CA ASN A 41 -0.983 21.486 11.483 1.00 76.77 C
ATOM 334 C ASN A 41 -0.741 20.383 12.505 1.00 74.16 C
ATOM 335 O ASN A 41 -1.353 19.313 12.440 1.00 76.77 O
ATOM 336 CB ASN A 41 -2.475 21.576 11.133 1.00 79.56 C
ATOM 337 CG ASN A 41 -2.870 22.945 10.583 1.00 84.10 C
ATOM 338 OD1 ASN A 41 -2.672 23.970 11.242 1.00 80.32 O
ATOM 339 ND2 ASN A 41 -3.436 22.964 9.375 1.00 81.90 N
ATOM 340 N PRO A 42 0.176 20.629 13.456 1.00 66.79 N
ATOM 341 CA PRO A 42 0.529 19.669 14.503 1.00 58.07 C
ATOM 342 C PRO A 42 -0.630 19.281 15.408 1.00 54.71 C
ATOM 343 O PRO A 42 -1.213 20.125 16.081 1.00 57.78 O
ATOM 344 CB PRO A 42 1.636 20.389 15.273 1.00 58.04 C
ATOM 345 CG PRO A 42 2.196 21.364 14.268 1.00 60.10 C
ATOM 346 CD PRO A 42 0.950 21.870 13.618 1.00 65.36 C
ATOM 347 N ARG A 43 -0.967 17.997 15.405 1.00 50.20 N
ATOM 348 CA ARG A 43 -2.034 17.471 16.251 1.00 51.34 C
ATOM 349 C ARG A 43 -1.682 16.022 16.551 1.00 49.11 C
ATOM 350 O ARG A 43 -0.870 15.412 15.849 1.00 44.75 O
ATOM 351 CB ARG A 43 -3.397 17.511 15.542 1.00 55.35 C
ATOM 352 CG ARG A 43 -3.660 18.761 14.716 1.00 67.27 C
ATOM 353 CD ARG A 43 -5.127 19.168 14.728 1.00 71.85 C
ATOM 354 NE ARG A 43 -5.426 20.048 15.857 1.00 73.16 N
ATOM 355 CZ ARG A 43 -6.130 19.693 16.928 1.00 69.45 C
ATOM 356 NH1 ARG A 43 -6.625 18.464 17.029 1.00 67.35 N
ATOM 357 NH2 ARG A 43 -6.332 20.571 17.904 1.00 59.64 N
ATOM 358 N TYR A 44 -2.267 15.463 17.600 1.00 43.05 N
ATOM 359 CA TYR A 44 -1.985 14.073 17.884 1.00 42.26 C
ATOM 360 C TYR A 44 -2.810 13.312 16.851 1.00 44.85 C
ATOM 361 O TYR A 44 -3.934 13.716 16.550 1.00 45.18 O
ATOM 362 CB TYR A 44 -2.393 13.725 19.310 1.00 40.30 C
ATOM 363 CG TYR A 44 -1.243 13.166 20.122 1.00 39.62 C
ATOM 364 CD1 TYR A 44 -0.623 11.979 19.750 1.00 42.20 C
ATOM 365 CD2 TYR A 44 -0.800 13.811 21.284 1.00 43.18 C
ATOM 366 CE1 TYR A 44 0.414 11.428 20.517 1.00 46.36 C
ATOM 367 CE2 TYR A 44 0.233 13.274 22.068 1.00 46.01 C
ATOM 368 CZ TYR A 44 0.833 12.081 21.678 1.00 46.32 C
ATOM 369 OH TYR A 44 1.828 11.524 22.443 1.00 48.44 O
ATOM 370 N GLU A 45 -2.251 12.230 16.308 1.00 45.35 N
ATOM 371 CA GLU A 45 -2.912 11.446 15.263 1.00 44.00 C
ATOM 372 C GLU A 45 -3.048 9.962 15.574 1.00 43.75 C
ATOM 373 O GLU A 45 -2.169 9.368 16.211 1.00 44.58 O
ATOM 374 CB GLU A 45 -2.135 11.581 13.942 1.00 50.79 C
ATOM 375 CG GLU A 45 -2.135 12.980 13.311 1.00 55.94 C
ATOM 376 CD GLU A 45 -3.335 13.235 12.396 1.00 63.15 C
ATOM 377 OE1 GLU A 45 -4.490 12.993 12.818 1.00 67.46 O
ATOM 378 OE2 GLU A 45 -3.122 13.687 11.249 1.00 68.87 O
ATOM 379 N PRO A 46 -4.147 9.335 15.108 1.00 44.03 N
ATOM 380 CA PRO A 46 -4.374 7.904 15.340 1.00 45.17 C
ATOM 381 C PRO A 46 -3.321 7.140 14.551 1.00 45.68 C
ATOM 382 O PRO A 46 -2.867 7.611 13.505 1.00 50.14 O
ATOM 383 CB PRO A 46 -5.787 7.672 14.778 1.00 41.69 C
ATOM 384 CG PRO A 46 -6.414 9.025 14.818 1.00 38.50 C
ATOM 385 CD PRO A 46 -5.294 9.932 14.405 1.00 42.21 C
ATOM 386 N ARG A 47 -2.928 5.970 15.039 1.00 43.08 N
ATOM 387 CA ARG A 47 -1.909 5.181 14.356 1.00 37.67 C
ATOM 388 C ARG A 47 -2.231 3.700 14.331 1.00 42.21 C
ATOM 389 O ARG A 47 -1.445 2.886 13.852 1.00 45.09 O
ATOM 390 CB ARG A 47 -0.574 5.417 15.029 1.00 42.93 C
ATOM 391 CG ARG A 47 -0.013 6.761 14.686 1.00 36.72 C
ATOM 392 CD ARG A 47 0.656 6.673 13.325 1.00 43.32 C
ATOM 393 NE ARG A 47 0.764 7.980 12.718 1.00 46.01 N
ATOM 394 CZ ARG A 47 1.639 8.287 11.774 1.00 51.87 C
ATOM 395 NH1 ARG A 47 2.492 7.359 11.340 1.00 41.99 N
ATOM 396 NH2 ARG A 47 1.640 9.521 11.264 1.00 50.11 N
ATOM 397 N ALA A 48 -3.396 3.371 14.872 1.00 45.43 N
ATOM 398 CA ALA A 48 -3.911 2.012 14.916 1.00 47.59 C
ATOM 399 C ALA A 48 -5.395 2.221 14.600 1.00 51.38 C
ATOM 400 O ALA A 48 -6.010 3.153 15.119 1.00 50.53 O
ATOM 401 CB ALA A 48 -3.734 1.418 16.321 1.00 45.15 C
ATOM 402 N PRO A 49 -5.986 1.371 13.744 1.00 53.18 N
ATOM 403 CA PRO A 49 -7.403 1.532 13.401 1.00 51.21 C
ATOM 404 C PRO A 49 -8.353 1.634 14.590 1.00 50.70 C
ATOM 405 O PRO A 49 -9.369 2.327 14.520 1.00 40.92 O
ATOM 406 CB PRO A 49 -7.691 0.305 12.530 1.00 55.91 C
ATOM 407 CG PRO A 49 -6.728 -0.724 13.042 1.00 49.13 C
ATOM 408 CD PRO A 49 -5.461 0.110 13.190 1.00 56.01 C
ATOM 409 N TRP A 50 -8.030 0.958 15.690 1.00 51.71 N
ATOM 410 CA TRP A 50 -8.922 1.012 16.838 1.00 54.33 C
ATOM 411 C TRP A 50 -8.914 2.313 17.660 1.00 53.61 C
ATOM 412 O TRP A 50 -9.652 2.429 18.635 1.00 53.24 O
ATOM 413 CB TRP A 50 -8.702 -0.205 17.749 1.00 56.59 C
ATOM 414 CG TRP A 50 -7.287 -0.475 18.142 1.00 58.12 C
ATOM 415 CD1 TRP A 50 -6.431 -1.383 17.579 1.00 55.64 C
ATOM 416 CD2 TRP A 50 -6.575 0.132 19.222 1.00 55.22 C
ATOM 417 NE1 TRP A 50 -5.230 -1.383 18.252 1.00 56.15 N
ATOM 418 CE2 TRP A 50 -5.291 -0.461 19.264 1.00 57.92 C
ATOM 419 CE3 TRP A 50 -6.898 1.120 20.162 1.00 52.72 C
ATOM 420 CZ2 TRP A 50 -4.328 -0.097 20.213 1.00 56.00 C
ATOM 421 CZ3 TRP A 50 -5.941 1.481 21.105 1.00 49.96 C
ATOM 422 CH2 TRP A 50 -4.670 0.870 21.120 1.00 54.83 C
ATOM 423 N MET A 51 -8.113 3.299 17.256 1.00 53.50 N
ATOM 424 CA MET A 51 -8.067 4.580 17.972 1.00 50.08 C
ATOM 425 C MET A 51 -8.972 5.642 17.352 1.00 51.47 C
ATOM 426 O MET A 51 -9.205 6.690 17.947 1.00 55.07 O
ATOM 427 CB MET A 51 -6.636 5.119 18.036 1.00 46.12 C
ATOM 428 CG MET A 51 -5.768 4.481 19.123 1.00 42.70 C
ATOM 429 SD MET A 51 -6.456 4.747 20.786 1.00 40.57 S
ATOM 430 CE MET A 51 -6.424 6.542 20.826 1.00 29.96 C
ATOM 431 N GLU A 52 -9.497 5.370 16.165 1.00 56.21 N
ATOM 432 CA GLU A 52 -10.370 6.331 15.494 1.00 59.63 C
ATOM 433 C GLU A 52 -11.687 6.532 16.246 1.00 62.56 C
ATOM 434 O GLU A 52 -12.445 7.464 15.971 1.00 60.60 O
ATOM 435 CB GLU A 52 -10.599 5.879 14.049 1.00 55.17 C
ATOM 436 CG GLU A 52 -9.277 5.783 13.293 1.00 60.90 C
ATOM 437 CD GLU A 52 -9.420 5.284 11.875 1.00 71.73 C
ATOM 438 OE1 GLU A 52 -9.826 4.115 11.685 1.00 83.98 O
ATOM 439 OE2 GLU A 52 -9.120 6.066 10.947 1.00 77.41 O
ATOM 440 N GLN A 53 -11.923 5.663 17.226 1.00 65.33 N
ATOM 441 CA GLN A 53 -13.117 5.716 18.064 1.00 63.97 C
ATOM 442 C GLN A 53 -13.227 7.027 18.838 1.00 62.66 C
ATOM 443 O GLN A 53 -14.281 7.654 18.847 1.00 64.91 O
ATOM 444 CB GLN A 53 -13.105 4.561 19.069 1.00 64.44 C
ATOM 445 CG GLN A 53 -13.217 3.179 18.445 1.00 75.85 C
ATOM 446 CD GLN A 53 -13.238 2.080 19.488 1.00 79.07 C
ATOM 447 OE1 GLN A 53 -14.021 2.130 20.437 1.00 81.87 O
ATOM 448 NE2 GLN A 53 -12.380 1.078 19.318 1.00 81.45 N
ATOM 449 N GLU A 54 -12.135 7.426 19.490 1.00 60.76 N
ATOM 450 CA GLU A 54 -12.093 8.648 20.298 1.00 55.52 C
ATOM 451 C GLU A 54 -12.583 9.886 19.541 1.00 53.99 C
ATOM 452 O GLU A 54 -12.143 10.168 18.428 1.00 56.49 O
ATOM 453 CB GLU A 54 -10.668 8.901 20.810 1.00 50.95 C
ATOM 454 CG GLU A 54 -9.965 7.707 21.487 1.00 50.52 C
ATOM 455 CD GLU A 54 -10.682 7.175 22.731 1.00 53.94 C
ATOM 456 OE1 GLU A 54 -11.333 7.969 23.439 1.00 54.75 O
ATOM 457 OE2 GLU A 54 -10.578 5.957 23.012 1.00 51.87 O
ATOM 458 N GLY A 55 -13.488 10.628 20.167 1.00 54.68 N
ATOM 459 CA GLY A 55 -14.027 11.818 19.540 1.00 58.25 C
ATOM 460 C GLY A 55 -13.041 12.967 19.483 1.00 61.18 C
ATOM 461 O GLY A 55 -11.875 12.799 19.828 1.00 64.64 O
ATOM 462 N PRO A 56 -13.488 14.155 19.045 1.00 60.97 N
ATOM 463 CA PRO A 56 -12.664 15.364 18.932 1.00 56.18 C
ATOM 464 C PRO A 56 -11.995 15.764 20.246 1.00 51.90 C
ATOM 465 O PRO A 56 -10.802 16.038 20.282 1.00 50.16 O
ATOM 466 CB PRO A 56 -13.663 16.417 18.453 1.00 59.47 C
ATOM 467 CG PRO A 56 -14.640 15.604 17.635 1.00 59.03 C
ATOM 468 CD PRO A 56 -14.839 14.380 18.494 1.00 60.55 C
ATOM 469 N GLU A 57 -12.776 15.789 21.319 1.00 51.63 N
ATOM 470 CA GLU A 57 -12.287 16.152 22.648 1.00 56.09 C
ATOM 471 C GLU A 57 -10.952 15.485 23.007 1.00 55.51 C
ATOM 472 O GLU A 57 -9.995 16.155 23.408 1.00 54.86 O
ATOM 473 CB GLU A 57 -13.329 15.772 23.700 1.00 62.65 C
ATOM 474 CG GLU A 57 -14.734 16.283 23.423 1.00 79.54 C
ATOM 475 CD GLU A 57 -15.322 15.752 22.117 1.00 89.67 C
ATOM 476 OE1 GLU A 57 -15.034 14.586 21.753 1.00 94.71 O
ATOM 477 OE2 GLU A 57 -16.086 16.500 21.463 1.00 89.93 O
ATOM 478 N TYR A 58 -10.896 14.164 22.864 1.00 50.77 N
ATOM 479 CA TYR A 58 -9.691 13.404 23.178 1.00 47.16 C
ATOM 480 C TYR A 58 -8.463 13.876 22.398 1.00 47.98 C
ATOM 481 O TYR A 58 -7.400 14.119 22.982 1.00 49.00 O
ATOM 482 CB TYR A 58 -9.950 11.904 22.937 1.00 44.37 C
ATOM 483 CG TYR A 58 -8.723 11.021 23.021 1.00 41.66 C
ATOM 484 CD1 TYR A 58 -7.826 10.937 21.953 1.00 41.56 C
ATOM 485 CD2 TYR A 58 -8.431 10.302 24.182 1.00 39.37 C
ATOM 486 CE1 TYR A 58 -6.667 10.169 22.043 1.00 36.47 C
ATOM 487 CE2 TYR A 58 -7.270 9.526 24.281 1.00 35.14 C
ATOM 488 CZ TYR A 58 -6.396 9.469 23.213 1.00 36.62 C
ATOM 489 OH TYR A 58 -5.228 8.744 23.307 1.00 40.62 O
ATOM 490 N TRP A 59 -8.600 14.024 21.085 1.00 48.65 N
ATOM 491 CA TRP A 59 -7.467 14.450 20.279 1.00 44.10 C
ATOM 492 C TRP A 59 -7.047 15.871 20.614 1.00 43.80 C
ATOM 493 O TRP A 59 -5.862 16.196 20.583 1.00 44.07 O
ATOM 494 CB TRP A 59 -7.783 14.301 18.787 1.00 44.93 C
ATOM 495 CG TRP A 59 -8.091 12.878 18.442 1.00 43.45 C
ATOM 496 CD1 TRP A 59 -9.324 12.328 18.274 1.00 42.32 C
ATOM 497 CD2 TRP A 59 -7.152 11.789 18.370 1.00 44.50 C
ATOM 498 NE1 TRP A 59 -9.217 10.962 18.110 1.00 44.45 N
ATOM 499 CE2 TRP A 59 -7.893 10.610 18.165 1.00 42.58 C
ATOM 500 CE3 TRP A 59 -5.757 11.702 18.469 1.00 44.27 C
ATOM 501 CZ2 TRP A 59 -7.288 9.352 18.058 1.00 45.66 C
ATOM 502 CZ3 TRP A 59 -5.153 10.450 18.365 1.00 41.81 C
ATOM 503 CH2 TRP A 59 -5.921 9.293 18.163 1.00 47.07 C
ATOM 504 N GLU A 60 -8.009 16.712 20.956 1.00 45.41 N
ATOM 505 CA GLU A 60 -7.697 18.091 21.314 1.00 48.12 C
ATOM 506 C GLU A 60 -6.869 18.123 22.606 1.00 49.31 C
ATOM 507 O GLU A 60 -5.846 18.805 22.687 1.00 49.61 O
ATOM 508 CB GLU A 60 -8.984 18.883 21.533 1.00 44.16 C
ATOM 509 CG GLU A 60 -8.756 20.337 21.890 1.00 49.41 C
ATOM 510 CD GLU A 60 -7.919 21.046 20.850 1.00 57.78 C
ATOM 511 OE1 GLU A 60 -8.057 20.712 19.652 1.00 59.44 O
ATOM 512 OE2 GLU A 60 -7.131 21.940 21.221 1.00 61.58 O
ATOM 513 N ARG A 61 -7.336 17.385 23.609 1.00 48.50 N
ATOM 514 CA ARG A 61 -6.680 17.320 24.904 1.00 47.81 C
ATOM 515 C ARG A 61 -5.257 16.795 24.727 1.00 46.44 C
ATOM 516 O ARG A 61 -4.295 17.391 25.219 1.00 48.40 O
ATOM 517 CB ARG A 61 -7.473 16.398 25.841 1.00 50.61 C
ATOM 518 CG ARG A 61 -7.195 16.616 27.325 1.00 63.31 C
ATOM 519 CD ARG A 61 -7.939 15.611 28.222 1.00 72.06 C