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1AGC.pdb
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HEADER HISTOCOMPATIBILITY COMPLEX 24-MAR-97 1AGC
TITLE ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN
TITLE 2 HLA B8 - HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: B*0801;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: EXTRACELLULAR;
COMPND 5 SYNONYM: B8;
COMPND 6 ENGINEERED: YES;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: BETA-2 MICROGLOBULIN;
COMPND 9 CHAIN: B;
COMPND 10 FRAGMENT: EXTRACELLULAR;
COMPND 11 SYNONYM: B2M;
COMPND 12 ENGINEERED: YES;
COMPND 13 MOL_ID: 3;
COMPND 14 MOLECULE: HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION);
COMPND 15 CHAIN: C;
COMPND 16 FRAGMENT: EXTRACELLULAR;
COMPND 17 SYNONYM: PEPTIDE
COMPND 18 ENGINEERED: YES;
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_CELL_LINE: BL21(DE3)PLYSS;
SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PGMT7;
SOURCE 7 MOL_ID: 2;
SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 9 ORGANISM_COMMON: HUMAN;
SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 11 EXPRESSION_SYSTEM_CELL_LINE: XA90;
SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PHN1;
SOURCE 13 MOL_ID: 3;
SOURCE 14 SYNTHETIC: NATURALLY OCCURRING BIOLOGICAL SEQUENCE;
SOURCE 15 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 16 ORGANISM_COMMON: HUMAN
KEYWDS HLA B8, HIV, MHC CLASS I, HISTOCOMPATIBILITY COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR S.W.REID,S.MCADAM,K.J.SMITH,P.KLENERMAN,C.A.O'CALLAGHAN,
AUTHOR 2 K.HARLOS,B.K.JAKOBSEN,A.J.MCMICHAEL,J.BELL,D.I.STUART,
AUTHOR 3 E.Y.JONES
REVDAT 1 16-JUN-97 1AGC 0
JRNL AUTH S.W.REID,S.MCADAM,K.J.SMITH,P.KLENERMAN,
JRNL AUTH 2 C.A.O'CALLAGHAN,K.HARLOS,B.K.JAKOBSEN,
JRNL AUTH 3 A.J.MCMICHAEL,J.I.BELL,D.I.STUART,E.Y.JONES
JRNL TITL ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL
JRNL TITL 2 CHANGES IN HLA B8
JRNL REF J.EXP.MED. V. 184 2279 1996
JRNL REFN ASTM JEMEAV US ISSN 0022-1007 0774
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.1 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.1
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 14.
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.7
REMARK 3 NUMBER OF REFLECTIONS : 25086
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING SET) : 0.184
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
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 : 3146
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 365
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.1
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) : 0.012
REMARK 3 BOND ANGLES (DEGREES) : 1.7
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) : 3.1 ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.7 ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; 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 : PARAM19X.PRO
REMARK 3 PARAMETER FILE 2 : PARHCSDX.PRO
REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1AGC COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 25-JUL-1995
REMARK 200 TEMPERATURE (KELVIN) : 187
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ESRF
REMARK 200 BEAMLINE : BL4
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.76
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 : 25086
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.1
REMARK 200 RESOLUTION RANGE LOW (A) : 14.
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.7
REMARK 200 DATA REDUNDANCY : 12.2
REMARK 200 R MERGE (I) : 0.086
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 5.1
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.1
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.2
REMARK 200 COMPLETENESS FOR SHELL (%) : 95.5
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.218
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR
REMARK 200 REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: HLA B27
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: 30% PEG 4000 0.1M SODIUM
REMARK 280 CITRATE, PH 6.5 0.03M AMMONIUM ACETATE
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 1/2-X,-Y,1/2+Z
REMARK 290 3555 -X,1/2+Y,1/2-Z
REMARK 290 4555 1/2+X,1/2-Y,-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 25.20034
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 54.59707
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 40.44980
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 54.59707
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.20034
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 40.44980
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
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*0801
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 1agc_A,1agc_B
REMARK 410
REMARK 410 ligand(s)
REMARK 410 Gag peptide P17 23-30 (P03349), K7>Q
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 1agc_C
REMARK 410
REMARK 410
REMARK 410 Chain ID 1agc_A (1AGCA)
REMARK 410 IMGT chain description I-ALPHA
REMARK 410 Chain amino acid sequence
REMARK 410 [ G-ALPHA1 (1-90) [D1]
REMARK 410 GSHSMRYFDTAMSRPGRGEPRFISVGYVDDTQFVRFDSDAASPREEPRAPWIEQEGPEYWDRNTQI
REMARK 410 ][ G-ALPHA
REMARK 410 FKTNTQTDRESLRNLRGYYNQSEAGSHTLQSMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLRS
REMARK 410 2 (91-182) [D2] ][
REMARK 410 WTAADTAAQITQRKWEAARVAEQDRAYLEGTCVEWLRRYLENGKDTLERADPPKTHVTHHPISDHE
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*0801
REMARK 410 G-DOMAIN IMGT gene and allele (100%)
REMARK 410 G-DOMAIN ..........GSHSMRY.FDTAMSRPGRGEPRFISVGYVDDTQFVRFDSDAA
REMARK 410 G-DOMAIN SPREEPRA.......PWIEQEGPEYWDRNTQIFKTNTQTDRESLRNLRGYYN
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*0801
REMARK 410 G-DOMAIN IMGT gene and allele (100%)
REMARK 410 G-DOMAIN ..........GSHTLQSMYGCDVGPDGRLLRGHNQYAYDGKDYIALNED..L
REMARK 410 G-DOMAIN RSWTAAD.......TAAQITQRKWEAA.RVAEQDRAYLEGTCVEWLRRYLEN
REMARK 410 G-DOMAIN GKDTLERA
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Homo sapiens HLA-B*0801
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 .......DPPKTHVTHHPISD......HEATLRCWALGFYP..AEITLTWQR
REMARK 410 C-LIKE-DOMAIN DGEDQTQ..DTELVETRPAGD......RTFQKWAAVVVPSG.....EEQRYT
REMARK 410 C-LIKE-DOMAIN CHVQHEG..LPKPLTLRW
REMARK 410
REMARK 410 Chain ID 1agc_B (1AGCB)
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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O HOH 323 NE2 GLN A 72 2.02
REMARK 525
REMARK 525 SOLVENT
REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED
REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE
REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL
REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 0 HOH 314 DISTANCE = 8.93 ANGSTROMS
REMARK 550
REMARK 550 SEGID
REMARK 550 A: HEAVY CHAIN
REMARK 550 B: LIGHT CHAIN
REMARK 550 C: PEPTIDE
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 1AGC A SWS P30460 1 - 24 NOT IN ATOMS LIST
REMARK 999 1AGC A SWS P30460 301 - 362 NOT IN ATOMS LIST
REMARK 999 1AGC B SWS P01884 1 - 20 NOT IN ATOMS LIST
DBREF 1AGC A 1 276 SWS P30460 1B04_HUMAN 25 300
DBREF 1AGC B 1 99 SWS P01884 B2MG_HUMAN 21 119
DBREF 1AGC C 1 8 PDB 1AGC 1AGC 1 8
SEQRES 1 A 276 GLY SER HIS SER MET ARG TYR PHE ASP THR ALA MET SER
SEQRES 2 A 276 ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER 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 GLU 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 ASP ARG GLU SER LEU
SEQRES 7 A 276 ARG ASN LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY
SEQRES 8 A 276 SER HIS THR LEU GLN SER 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 ARG SER TRP THR ALA ALA ASP THR ALA ALA GLN ILE THR
SEQRES 12 A 276 GLN ARG LYS TRP GLU ALA ALA ARG VAL ALA GLU GLN ASP
SEQRES 13 A 276 ARG ALA TYR LEU GLU GLY THR CYS VAL GLU TRP LEU ARG
SEQRES 14 A 276 ARG TYR LEU GLU ASN GLY LYS ASP THR LEU GLU ARG ALA
SEQRES 15 A 276 ASP PRO PRO LYS THR HIS VAL THR HIS HIS PRO ILE 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 8 GLY GLY LYS LYS LYS TYR GLN LEU
FORMUL 4 HOH *365(H2 O1)
HELIX 1 1 PRO A 50 GLU A 53 1 4
HELIX 2 2 PRO A 57 TYR A 84 1 28
HELIX 3 3 THR A 1050 ALA A 1061 1 12
HELIX 4 4 VAL A 1063 GLU A 1072 1 10
HELIX 5 5 THR A 1073 ASN A 1084 1 12
HELIX 6 6 LYS A 1086 LEU A 1089 1 4
HELIX 7 7 GLU A 2099 ARG A 2101 5 3
SHEET 1 A 7 THR A 31 ASP A 37 0
SHEET 2 A 7 ARG A 21 VAL A 28 -1 N VAL A 28 O THR A 31
SHEET 3 A 7 HIS A 3 MET A 12 -1 N MET A 12 O ARG A 21
SHEET 4 A 7 THR A1004 VAL A1013 -1 N VAL A1013 O HIS A 3
SHEET 5 A 7 LEU A1019 TYR A1028 -1 N ALA A1027 O GLN A1006
SHEET 6 A 7 LYS A1031 LEU A1036 -1 N ILE A1034 O TYR A1026
SHEET 7 A 7 TRP A1045 ALA A1047 -1 N THR A1046 O ALA A1035
SHEET 1 B 3 LYS A2003 PRO A2010 0
SHEET 2 B 3 GLU A2018 LEU A2026 -1 N LEU A2026 O LYS A2003
SHEET 3 B 3 LYS A2085 PRO A2092 -1 N VAL A2091 O ALA A2019
SHEET 1 C 3 THR A2038 ARG A2043 0
SHEET 2 C 3 TYR A2102 GLN A2107 -1 N GLN A2107 O THR A2038
SHEET 3 C 3 LEU A2117 LEU A2119 -1 N LEU A2119 O CYS A2104
SHEET 1 D 3 LYS B 3 SER B 8 0
SHEET 2 D 3 SER B 18 PHE B 28 -1 N SER B 26 O LYS B 3
SHEET 3 D 3 PHE B 85B THR B 92 -1 N PHE B 91 O ASN B 19
SHEET 1 E 3 ILE B 37 LYS B 43 0
SHEET 2 E 3 TYR B 102 HIS B 108 -1 N ASN B 107 O GLU B 38
SHEET 3 E 3 LYS B 117 LYS B 120 -1 N VAL B 119 O CYS B 104
CISPEP 1 TYR A 2029 PRO A 2030 0 0.52
CISPEP 2 HIS B 29 PRO B 30 0 -0.05
CRYST1 50.400 80.900 109.200 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 0.019841 0.000000 0.000000 0.00000
SCALE2 0.000000 0.012361 0.000000 0.00000
SCALE3 0.000000 0.000000 0.009158 0.00000
ATOM 1 N GLY A 1 -31.808 -69.232 30.713 1.00 53.12 N
ATOM 2 CA GLY A 1 -32.005 -67.967 29.934 1.00 50.13 C
ATOM 3 C GLY A 1 -31.175 -66.829 30.491 1.00 47.33 C
ATOM 4 O GLY A 1 -30.726 -66.915 31.642 1.00 52.15 O
ATOM 5 N SER A 2 -30.992 -65.771 29.705 1.00 40.88 N
ATOM 6 CA SER A 2 -30.180 -64.643 30.139 1.00 33.36 C
ATOM 7 C SER A 2 -30.603 -63.231 29.666 1.00 28.11 C
ATOM 8 O SER A 2 -30.132 -62.237 30.233 1.00 27.96 O
ATOM 9 CB SER A 2 -28.694 -64.915 29.805 1.00 32.95 C
ATOM 10 OG SER A 2 -28.505 -65.273 28.437 1.00 29.32 O
ATOM 11 N HIS A 3 -31.483 -63.120 28.668 1.00 20.72 N
ATOM 12 CA HIS A 3 -31.900 -61.792 28.185 1.00 19.00 C
ATOM 13 C HIS A 3 -33.363 -61.581 27.910 1.00 17.16 C
ATOM 14 O HIS A 3 -34.051 -62.494 27.494 1.00 14.89 O
ATOM 15 CB HIS A 3 -31.161 -61.416 26.907 1.00 18.77 C
ATOM 16 CG HIS A 3 -29.694 -61.378 27.091 1.00 21.96 C
ATOM 17 ND1 HIS A 3 -29.084 -60.428 27.875 1.00 22.66 N
ATOM 18 CD2 HIS A 3 -28.733 -62.258 26.740 1.00 22.50 C
ATOM 19 CE1 HIS A 3 -27.806 -60.731 28.010 1.00 25.76 C
ATOM 20 NE2 HIS A 3 -27.570 -61.836 27.330 1.00 24.34 N
ATOM 21 N SER A 4 -33.785 -60.324 28.001 1.00 16.21 N
ATOM 22 CA SER A 4 -35.163 -59.971 27.748 1.00 17.60 C
ATOM 23 C SER A 4 -35.316 -58.633 27.065 1.00 15.63 C
ATOM 24 O SER A 4 -34.490 -57.747 27.234 1.00 17.85 O
ATOM 25 CB SER A 4 -35.936 -59.959 29.057 1.00 16.46 C
ATOM 26 OG SER A 4 -35.431 -58.975 29.930 1.00 34.09 O
ATOM 27 N MET A 5 -36.296 -58.534 26.184 1.00 16.41 N
ATOM 28 CA MET A 5 -36.604 -57.256 25.562 1.00 13.61 C
ATOM 29 C MET A 5 -38.014 -56.965 26.063 1.00 16.17 C
ATOM 30 O MET A 5 -38.838 -57.895 26.164 1.00 15.73 O
ATOM 31 CB MET A 5 -36.618 -57.310 24.051 1.00 12.38 C
ATOM 32 CG MET A 5 -36.997 -55.946 23.478 1.00 13.78 C
ATOM 33 SD MET A 5 -36.609 -55.786 21.803 1.00 21.57 S
ATOM 34 CE MET A 5 -37.568 -57.071 21.056 1.00 20.62 C
ATOM 35 N ARG A 6 -38.282 -55.716 26.437 1.00 14.88 N
ATOM 36 CA ARG A 6 -39.612 -55.358 26.911 1.00 16.32 C
ATOM 37 C ARG A 6 -39.978 -53.915 26.566 1.00 17.33 C
ATOM 38 O ARG A 6 -39.097 -53.047 26.498 1.00 13.42 O
ATOM 39 CB ARG A 6 -39.680 -55.565 28.431 1.00 17.03 C
ATOM 40 CG ARG A 6 -41.056 -55.893 28.972 1.00 15.21 C
ATOM 41 CD ARG A 6 -41.457 -57.326 28.659 1.00 12.54 C
ATOM 42 NE ARG A 6 -41.073 -58.236 29.725 1.00 13.83 N
ATOM 43 CZ ARG A 6 -40.227 -59.252 29.561 1.00 16.50 C
ATOM 44 NH1 ARG A 6 -39.687 -59.465 28.370 1.00 13.04 N
ATOM 45 NH2 ARG A 6 -39.923 -60.060 30.580 1.00 17.38 N
ATOM 46 N TYR A 7 -41.257 -53.683 26.253 1.00 17.15 N
ATOM 47 CA TYR A 7 -41.772 -52.329 25.998 1.00 15.55 C
ATOM 48 C TYR A 7 -42.768 -51.964 27.094 1.00 16.93 C
ATOM 49 O TYR A 7 -43.664 -52.756 27.425 1.00 15.82 O
ATOM 50 CB TYR A 7 -42.446 -52.221 24.663 1.00 12.93 C
ATOM 51 CG TYR A 7 -41.483 -52.065 23.534 1.00 13.77 C
ATOM 52 CD1 TYR A 7 -40.916 -53.178 22.922 1.00 14.99 C
ATOM 53 CD2 TYR A 7 -41.143 -50.805 23.055 1.00 15.48 C
ATOM 54 CE1 TYR A 7 -40.037 -53.042 21.858 1.00 15.63 C
ATOM 55 CE2 TYR A 7 -40.260 -50.659 21.983 1.00 16.66 C
ATOM 56 CZ TYR A 7 -39.719 -51.784 21.393 1.00 18.01 C
ATOM 57 OH TYR A 7 -38.901 -51.672 20.293 1.00 21.49 O
ATOM 58 N PHE A 8 -42.562 -50.798 27.700 1.00 14.44 N
ATOM 59 CA PHE A 8 -43.422 -50.317 28.772 1.00 14.04 C
ATOM 60 C PHE A 8 -44.209 -49.086 28.271 1.00 14.25 C
ATOM 61 O PHE A 8 -43.630 -48.018 28.053 1.00 14.82 O
ATOM 62 CB PHE A 8 -42.562 -49.991 29.989 1.00 13.29 C
ATOM 63 CG PHE A 8 -41.772 -51.174 30.506 1.00 16.36 C
ATOM 64 CD1 PHE A 8 -42.314 -52.031 31.460 1.00 17.23 C
ATOM 65 CD2 PHE A 8 -40.483 -51.437 30.039 1.00 15.64 C
ATOM 66 CE1 PHE A 8 -41.567 -53.138 31.947 1.00 19.00 C
ATOM 67 CE2 PHE A 8 -39.742 -52.525 30.512 1.00 12.92 C
ATOM 68 CZ PHE A 8 -40.286 -53.374 31.463 1.00 12.58 C
ATOM 69 N ASP A 9 -45.505 -49.289 27.997 1.00 14.00 N
ATOM 70 CA ASP A 9 -46.399 -48.252 27.477 1.00 12.34 C
ATOM 71 C ASP A 9 -47.359 -47.776 28.530 1.00 14.57 C
ATOM 72 O ASP A 9 -47.962 -48.573 29.255 1.00 12.55 O
ATOM 73 CB ASP A 9 -47.240 -48.740 26.287 1.00 11.90 C
ATOM 74 CG ASP A 9 -46.406 -49.265 25.137 1.00 16.91 C
ATOM 75 OD1 ASP A 9 -45.161 -49.184 25.173 1.00 18.44 O
ATOM 76 OD2 ASP A 9 -47.002 -49.807 24.190 1.00 17.98 O
ATOM 77 N THR A 10 -47.483 -46.463 28.618 1.00 13.91 N
ATOM 78 CA THR A 10 -48.380 -45.830 29.555 1.00 13.11 C
ATOM 79 C THR A 10 -49.229 -44.835 28.743 1.00 14.72 C
ATOM 80 O THR A 10 -48.683 -44.068 27.935 1.00 10.43 O
ATOM 81 CB THR A 10 -47.601 -45.047 30.648 1.00 14.88 C
ATOM 82 OG1 THR A 10 -46.674 -45.922 31.310 1.00 15.70 O
ATOM 83 CG2 THR A 10 -48.572 -44.491 31.698 1.00 11.69 C
ATOM 84 N ALA A 11 -50.552 -44.958 28.854 1.00 12.35 N
ATOM 85 CA ALA A 11 -51.491 -44.043 28.199 1.00 13.10 C
ATOM 86 C ALA A 11 -52.308 -43.503 29.362 1.00 12.89 C
ATOM 87 O ALA A 11 -52.788 -44.258 30.194 1.00 13.10 O
ATOM 88 CB ALA A 11 -52.380 -44.759 27.198 1.00 12.39 C
ATOM 89 N MET A 12 -52.370 -42.186 29.481 1.00 13.90 N
ATOM 90 CA MET A 12 -53.083 -41.579 30.580 1.00 13.36 C
ATOM 91 C MET A 12 -54.004 -40.467 30.081 1.00 15.68 C
ATOM 92 O MET A 12 -53.579 -39.557 29.355 1.00 12.97 O
ATOM 93 CB MET A 12 -52.097 -41.021 31.600 1.00 13.77 C
ATOM 94 CG MET A 12 -52.780 -40.702 32.906 1.00 22.30 C
ATOM 95 SD MET A 12 -51.858 -39.664 34.017 1.00 38.46 S
ATOM 96 CE MET A 12 -51.774 -38.042 32.937 1.00 31.92 C
ATOM 97 N SER A 13 -55.292 -40.601 30.384 1.00 15.54 N
ATOM 98 CA SER A 13 -56.262 -39.603 29.969 1.00 15.79 C
ATOM 99 C SER A 13 -56.163 -38.406 30.913 1.00 14.24 C
ATOM 100 O SER A 13 -55.768 -38.537 32.068 1.00 10.58 O
ATOM 101 CB SER A 13 -57.677 -40.182 29.990 1.00 11.60 C
ATOM 102 OG SER A 13 -58.023 -40.542 31.300 1.00 15.32 O
ATOM 103 N ARG A 14 -56.508 -37.234 30.411 1.00 13.37 N
ATOM 104 CA ARG A 14 -56.450 -36.033 31.220 1.00 13.82 C
ATOM 105 C ARG A 14 -57.553 -35.127 30.679 1.00 17.07 C
ATOM 106 O ARG A 14 -57.298 -34.231 29.895 1.00 15.91 O
ATOM 107 CB ARG A 14 -55.063 -35.407 31.068 1.00 9.00 C
ATOM 108 CG ARG A 14 -54.581 -35.493 29.651 1.00 7.44 C
ATOM 109 CD ARG A 14 -53.170 -35.044 29.511 1.00 10.56 C
ATOM 110 NE ARG A 14 -52.750 -35.189 28.128 1.00 8.78 N
ATOM 111 CZ ARG A 14 -51.511 -34.951 27.706 1.00 11.81 C
ATOM 112 NH1 ARG A 14 -50.572 -34.556 28.557 1.00 9.63 N
ATOM 113 NH2 ARG A 14 -51.206 -35.123 26.430 1.00 13.18 N
ATOM 114 N PRO A 15 -58.821 -35.426 31.018 1.00 20.14 N
ATOM 115 CA PRO A 15 -59.954 -34.617 30.545 1.00 21.69 C
ATOM 116 C PRO A 15 -59.764 -33.105 30.811 1.00 19.86 C
ATOM 117 O PRO A 15 -59.438 -32.688 31.933 1.00 17.43 O
ATOM 118 CB PRO A 15 -61.140 -35.193 31.335 1.00 21.87 C
ATOM 119 CG PRO A 15 -60.734 -36.614 31.560 1.00 23.18 C
ATOM 120 CD PRO A 15 -59.286 -36.476 31.943 1.00 20.50 C
ATOM 121 N GLY A 16 -59.935 -32.308 29.763 1.00 18.82 N
ATOM 122 CA GLY A 16 -59.784 -30.875 29.899 1.00 19.23 C
ATOM 123 C GLY A 16 -58.376 -30.416 29.574 1.00 18.28 C
ATOM 124 O GLY A 16 -58.150 -29.225 29.430 1.00 19.40 O
ATOM 125 N ARG A 17 -57.443 -31.358 29.438 1.00 16.20 N
ATOM 126 CA ARG A 17 -56.052 -31.039 29.149 1.00 11.45 C
ATOM 127 C ARG A 17 -55.507 -31.781 27.950 1.00 10.50 C
ATOM 128 O ARG A 17 -54.349 -32.173 27.906 1.00 15.43 O
ATOM 129 CB ARG A 17 -55.193 -31.265 30.385 1.00 9.77 C
ATOM 130 CG ARG A 17 -55.685 -30.487 31.593 1.00 8.98 C
ATOM 131 CD ARG A 17 -54.725 -30.514 32.769 1.00 10.45 C
ATOM 132 NE ARG A 17 -54.592 -31.834 33.389 1.00 17.86 N
ATOM 133 CZ ARG A 17 -53.539 -32.639 33.241 1.00 17.28 C
ATOM 134 NH1 ARG A 17 -52.505 -32.282 32.503 1.00 20.45 N
ATOM 135 NH2 ARG A 17 -53.524 -33.824 33.808 1.00 15.96 N
ATOM 136 N GLY A 18 -56.349 -31.960 26.955 1.00 10.85 N
ATOM 137 CA GLY A 18 -55.907 -32.614 25.742 1.00 12.97 C
ATOM 138 C GLY A 18 -56.131 -34.103 25.684 1.00 15.36 C
ATOM 139 O GLY A 18 -56.785 -34.686 26.562 1.00 16.42 O
ATOM 140 N GLU A 19 -55.661 -34.682 24.584 1.00 15.03 N
ATOM 141 CA GLU A 19 -55.757 -36.111 24.308 1.00 16.64 C
ATOM 142 C GLU A 19 -54.876 -36.898 25.299 1.00 16.24 C
ATOM 143 O GLU A 19 -53.882 -36.371 25.791 1.00 14.31 O
ATOM 144 CB GLU A 19 -55.336 -36.376 22.855 1.00 20.97 C
ATOM 145 CG GLU A 19 -56.364 -35.986 21.783 1.00 26.66 C
ATOM 146 CD GLU A 19 -57.701 -36.682 21.999 1.00 34.63 C
ATOM 147 OE1 GLU A 19 -57.836 -37.886 21.662 1.00 39.57 O
ATOM 148 OE2 GLU A 19 -58.619 -36.029 22.531 1.00 35.93 O
ATOM 149 N PRO A 20 -55.225 -38.173 25.584 1.00 15.91 N
ATOM 150 CA PRO A 20 -54.413 -38.945 26.528 1.00 12.50 C
ATOM 151 C PRO A 20 -52.952 -39.018 26.108 1.00 13.13 C
ATOM 152 O PRO A 20 -52.635 -39.258 24.934 1.00 10.79 O
ATOM 153 CB PRO A 20 -55.058 -40.328 26.479 1.00 14.27 C
ATOM 154 CG PRO A 20 -56.518 -40.025 26.157 1.00 13.53 C
ATOM 155 CD PRO A 20 -56.346 -38.990 25.064 1.00 14.52 C
ATOM 156 N ARG A 21 -52.067 -38.759 27.061 1.00 9.05 N
ATOM 157 CA ARG A 21 -50.657 -38.855 26.758 1.00 12.20 C
ATOM 158 C ARG A 21 -50.250 -40.311 26.676 1.00 11.19 C
ATOM 159 O ARG A 21 -50.573 -41.106 27.565 1.00 11.06 O
ATOM 160 CB ARG A 21 -49.809 -38.233 27.847 1.00 15.86 C
ATOM 161 CG ARG A 21 -48.307 -38.403 27.546 1.00 20.63 C
ATOM 162 CD ARG A 21 -47.477 -37.804 28.624 1.00 27.72 C
ATOM 163 NE ARG A 21 -46.071 -38.146 28.481 1.00 33.47 N
ATOM 164 CZ ARG A 21 -45.337 -38.665 29.463 1.00 37.78 C
ATOM 165 NH1 ARG A 21 -45.880 -38.909 30.657 1.00 40.90 N
ATOM 166 NH2 ARG A 21 -44.051 -38.910 29.263 1.00 39.35 N
ATOM 167 N PHE A 22 -49.512 -40.636 25.627 1.00 11.75 N
ATOM 168 CA PHE A 22 -48.990 -41.970 25.421 1.00 12.16 C
ATOM 169 C PHE A 22 -47.448 -41.973 25.395 1.00 13.64 C
ATOM 170 O PHE A 22 -46.798 -41.226 24.635 1.00 12.38 O
ATOM 171 CB PHE A 22 -49.490 -42.538 24.103 1.00 10.25 C
ATOM 172 CG PHE A 22 -48.903 -43.892 23.765 1.00 17.33 C
ATOM 173 CD1 PHE A 22 -49.469 -45.062 24.277 1.00 17.20 C
ATOM 174 CD2 PHE A 22 -47.802 -44.001 22.913 1.00 16.98 C
ATOM 175 CE1 PHE A 22 -48.960 -46.309 23.945 1.00 14.23 C
ATOM 176 CE2 PHE A 22 -47.288 -45.254 22.575 1.00 17.88 C
ATOM 177 CZ PHE A 22 -47.874 -46.408 23.096 1.00 17.41 C
ATOM 178 N ILE A 23 -46.861 -42.804 26.236 1.00 14.65 N
ATOM 179 CA ILE A 23 -45.418 -42.952 26.213 1.00 15.21 C
ATOM 180 C ILE A 23 -45.005 -44.429 26.230 1.00 14.03 C
ATOM 181 O ILE A 23 -45.575 -45.254 26.944 1.00 11.94 O
ATOM 182 CB ILE A 23 -44.713 -42.207 27.324 1.00 16.86 C
ATOM 183 CG1 ILE A 23 -43.191 -42.304 27.084 1.00 20.84 C
ATOM 184 CG2 ILE A 23 -45.156 -42.751 28.668 1.00 21.79 C
ATOM 185 CD1 ILE A 23 -42.357 -41.624 28.090 1.00 17.41 C
ATOM 186 N SER A 24 -44.076 -44.757 25.349 1.00 13.17 N
ATOM 187 CA SER A 24 -43.553 -46.088 25.249 1.00 11.83 C
ATOM 188 C SER A 24 -42.024 -46.071 25.376 1.00 12.84 C
ATOM 189 O SER A 24 -41.337 -45.310 24.674 1.00 12.89 O
ATOM 190 CB SER A 24 -43.935 -46.646 23.907 1.00 10.89 C
ATOM 191 OG SER A 24 -43.438 -47.955 23.777 1.00 13.81 O
ATOM 192 N VAL A 25 -41.497 -46.864 26.305 1.00 13.60 N
ATOM 193 CA VAL A 25 -40.043 -46.977 26.463 1.00 14.43 C
ATOM 194 C VAL A 25 -39.631 -48.427 26.232 1.00 13.24 C
ATOM 195 O VAL A 25 -40.304 -49.354 26.688 1.00 12.79 O
ATOM 196 CB VAL A 25 -39.546 -46.503 27.839 1.00 11.17 C
ATOM 197 CG1 VAL A 25 -39.772 -45.001 27.978 1.00 14.75 C
ATOM 198 CG2 VAL A 25 -40.243 -47.244 28.946 1.00 16.23 C
ATOM 199 N GLY A 26 -38.604 -48.621 25.425 1.00 12.21 N
ATOM 200 CA GLY A 26 -38.134 -49.967 25.151 1.00 11.78 C
ATOM 201 C GLY A 26 -36.879 -50.286 25.934 1.00 13.22 C
ATOM 202 O GLY A 26 -35.989 -49.439 26.049 1.00 10.55 O
ATOM 203 N TYR A 27 -36.793 -51.514 26.445 1.00 14.05 N
ATOM 204 CA TYR A 27 -35.637 -51.989 27.221 1.00 13.95 C
ATOM 205 C TYR A 27 -35.074 -53.337 26.773 1.00 13.70 C
ATOM 206 O TYR A 27 -35.783 -54.178 26.216 1.00 13.89 O
ATOM 207 CB TYR A 27 -36.017 -52.220 28.684 1.00 10.89 C
ATOM 208 CG TYR A 27 -36.055 -51.024 29.569 1.00 12.41 C
ATOM 209 CD1 TYR A 27 -37.100 -50.107 29.494 1.00 14.29 C
ATOM 210 CD2 TYR A 27 -35.071 -50.831 30.523 1.00 10.72 C
ATOM 211 CE1 TYR A 27 -37.166 -49.016 30.349 1.00 14.78 C
ATOM 212 CE2 TYR A 27 -35.120 -49.758 31.377 1.00 14.53 C
ATOM 213 CZ TYR A 27 -36.170 -48.846 31.293 1.00 16.21 C
ATOM 214 OH TYR A 27 -36.172 -47.751 32.134 1.00 17.35 O
ATOM 215 N VAL A 28 -33.766 -53.501 26.953 1.00 15.45 N
ATOM 216 CA VAL A 28 -33.114 -54.796 26.746 1.00 10.96 C
ATOM 217 C VAL A 28 -32.540 -54.937 28.159 1.00 13.83 C
ATOM 218 O VAL A 28 -31.735 -54.111 28.619 1.00 15.12 O
ATOM 219 CB VAL A 28 -32.038 -54.809 25.688 1.00 9.92 C
ATOM 220 CG1 VAL A 28 -31.341 -56.167 25.718 1.00 9.88 C
ATOM 221 CG2 VAL A 28 -32.667 -54.621 24.333 1.00 7.91 C
ATOM 222 N ASP A 29 -33.106 -55.878 28.912 1.00 15.37 N
ATOM 223 CA ASP A 29 -32.738 -56.093 30.293 1.00 14.77 C
ATOM 224 C ASP A 29 -32.995 -54.783 31.022 1.00 15.93 C
ATOM 225 O ASP A 29 -34.104 -54.268 30.956 1.00 19.68 O
ATOM 226 CB ASP A 29 -31.287 -56.570 30.411 1.00 17.48 C
ATOM 227 CG ASP A 29 -31.063 -57.886 29.698 1.00 20.40 C
ATOM 228 OD1 ASP A 29 -31.960 -58.761 29.767 1.00 19.97 O
ATOM 229 OD2 ASP A 29 -30.026 -58.033 29.025 1.00 16.10 O
ATOM 230 N ASP A 30 -31.975 -54.204 31.647 1.00 15.18 N
ATOM 231 CA ASP A 30 -32.137 -52.965 32.396 1.00 11.57 C
ATOM 232 C ASP A 30 -31.535 -51.759 31.668 1.00 11.23 C
ATOM 233 O ASP A 30 -31.116 -50.793 32.288 1.00 13.42 O
ATOM 234 CB ASP A 30 -31.509 -53.121 33.782 1.00 11.81 C
ATOM 235 CG ASP A 30 -32.216 -54.148 34.619 1.00 14.49 C
ATOM 236 OD1 ASP A 30 -33.424 -54.014 34.814 1.00 21.67 O
ATOM 237 OD2 ASP A 30 -31.580 -55.101 35.080 1.00 15.62 O
ATOM 238 N THR A 31 -31.442 -51.854 30.354 1.00 10.20 N
ATOM 239 CA THR A 31 -30.914 -50.781 29.545 1.00 12.62 C
ATOM 240 C THR A 31 -32.026 -50.226 28.648 1.00 14.87 C
ATOM 241 O THR A 31 -32.531 -50.933 27.768 1.00 14.64 O
ATOM 242 CB THR A 31 -29.785 -51.311 28.655 1.00 13.59 C
ATOM 243 OG1 THR A 31 -28.801 -51.908 29.506 1.00 14.76 O
ATOM 244 CG2 THR A 31 -29.146 -50.161 27.837 1.00 11.62 C
ATOM 245 N GLN A 32 -32.456 -48.995 28.890 1.00 12.21 N
ATOM 246 CA GLN A 32 -33.496 -48.427 28.035 1.00 14.28 C
ATOM 247 C GLN A 32 -32.834 -48.119 26.692 1.00 13.14 C
ATOM 248 O GLN A 32 -31.706 -47.658 26.682 1.00 17.75 O
ATOM 249 CB GLN A 32 -34.068 -47.143 28.658 1.00 12.60 C
ATOM 250 CG GLN A 32 -35.172 -46.533 27.800 1.00 14.90 C
ATOM 251 CD GLN A 32 -35.509 -45.099 28.159 1.00 13.76 C
ATOM 252 OE1 GLN A 32 -35.955 -44.338 27.314 1.00 17.52 O
ATOM 253 NE2 GLN A 32 -35.285 -44.725 29.398 1.00 12.67 N
ATOM 254 N PHE A 33 -33.458 -48.441 25.560 1.00 10.88 N
ATOM 255 CA PHE A 33 -32.821 -48.136 24.292 1.00 8.44 C
ATOM 256 C PHE A 33 -33.625 -47.213 23.396 1.00 10.75 C
ATOM 257 O PHE A 33 -33.096 -46.698 22.403 1.00 10.61 O
ATOM 258 CB PHE A 33 -32.404 -49.410 23.545 1.00 10.92 C
ATOM 259 CG PHE A 33 -33.553 -50.260 23.079 1.00 10.85 C
ATOM 260 CD1 PHE A 33 -34.168 -51.156 23.947 1.00 10.49 C
ATOM 261 CD2 PHE A 33 -34.001 -50.184 21.764 1.00 9.07 C
ATOM 262 CE1 PHE A 33 -35.204 -51.959 23.510 1.00 12.08 C
ATOM 263 CE2 PHE A 33 -35.040 -50.982 21.322 1.00 12.32 C
ATOM 264 CZ PHE A 33 -35.642 -51.875 22.200 1.00 10.81 C
ATOM 265 N VAL A 34 -34.917 -47.064 23.687 1.00 12.75 N
ATOM 266 CA VAL A 34 -35.797 -46.164 22.917 1.00 12.48 C
ATOM 267 C VAL A 34 -36.904 -45.615 23.795 1.00 12.57 C
ATOM 268 O VAL A 34 -37.171 -46.138 24.888 1.00 11.62 O
ATOM 269 CB VAL A 34 -36.511 -46.811 21.680 1.00 13.00 C
ATOM 270 CG1 VAL A 34 -35.548 -47.065 20.564 1.00 16.89 C
ATOM 271 CG2 VAL A 34 -37.276 -48.103 22.079 1.00 14.23 C
ATOM 272 N ARG A 35 -37.485 -44.516 23.325 1.00 14.14 N
ATOM 273 CA ARG A 35 -38.619 -43.870 23.959 1.00 16.63 C
ATOM 274 C ARG A 35 -39.430 -43.182 22.871 1.00 16.26 C
ATOM 275 O ARG A 35 -38.894 -42.768 21.834 1.00 13.15 O
ATOM 276 CB ARG A 35 -38.207 -42.821 25.005 1.00 20.03 C
ATOM 277 CG ARG A 35 -37.927 -41.414 24.460 1.00 29.35 C
ATOM 278 CD ARG A 35 -38.161 -40.375 25.545 1.00 37.19 C
ATOM 279 NE ARG A 35 -38.065 -38.994 25.068 1.00 49.94 N
ATOM 280 CZ ARG A 35 -38.845 -37.982 25.479 1.00 54.57 C
ATOM 281 NH1 ARG A 35 -39.805 -38.169 26.391 1.00 53.53 N
ATOM 282 NH2 ARG A 35 -38.673 -36.763 24.968 1.00 55.90 N
ATOM 283 N PHE A 36 -40.741 -43.172 23.067 1.00 16.06 N
ATOM 284 CA PHE A 36 -41.657 -42.464 22.186 1.00 12.84 C
ATOM 285 C PHE A 36 -42.628 -41.792 23.149 1.00 13.41 C
ATOM 286 O PHE A 36 -43.128 -42.418 24.083 1.00 13.78 O
ATOM 287 CB PHE A 36 -42.402 -43.393 21.266 1.00 12.35 C
ATOM 288 CG PHE A 36 -43.546 -42.731 20.592 1.00 17.56 C
ATOM 289 CD1 PHE A 36 -44.771 -42.587 21.251 1.00 19.52 C
ATOM 290 CD2 PHE A 36 -43.394 -42.179 19.337 1.00 20.78 C
ATOM 291 CE1 PHE A 36 -45.811 -41.902 20.673 1.00 14.17 C
ATOM 292 CE2 PHE A 36 -44.439 -41.480 18.738 1.00 22.72 C
ATOM 293 CZ PHE A 36 -45.651 -41.344 19.419 1.00 20.30 C
ATOM 294 N ASP A 37 -42.861 -40.507 22.948 1.00 13.30 N
ATOM 295 CA ASP A 37 -43.748 -39.745 23.813 1.00 12.51 C
ATOM 296 C ASP A 37 -44.648 -38.905 22.906 1.00 15.40 C
ATOM 297 O ASP A 37 -44.155 -38.139 22.078 1.00 13.17 O
ATOM 298 CB ASP A 37 -42.889 -38.852 24.711 1.00 14.79 C
ATOM 299 CG ASP A 37 -43.680 -38.125 25.775 1.00 14.18 C
ATOM 300 OD1 ASP A 37 -44.910 -38.010 25.662 1.00 15.72 O
ATOM 301 OD2 ASP A 37 -43.050 -37.652 26.739 1.00 19.45 O
ATOM 302 N SER A 38 -45.965 -39.083 23.016 1.00 14.62 N
ATOM 303 CA SER A 38 -46.883 -38.309 22.165 1.00 15.82 C
ATOM 304 C SER A 38 -46.850 -36.817 22.521 1.00 14.40 C
ATOM 305 O SER A 38 -47.320 -35.986 21.743 1.00 15.91 O
ATOM 306 CB SER A 38 -48.304 -38.837 22.258 1.00 10.74 C
ATOM 307 OG SER A 38 -48.721 -38.818 23.606 1.00 12.12 O
ATOM 308 N ASP A 39 -46.332 -36.505 23.713 1.00 16.08 N
ATOM 309 CA ASP A 39 -46.168 -35.126 24.197 1.00 19.77 C
ATOM 310 C ASP A 39 -44.856 -34.432 23.756 1.00 22.77 C
ATOM 311 O ASP A 39 -44.583 -33.298 24.146 1.00 22.80 O
ATOM 312 CB ASP A 39 -46.255 -35.082 25.716 1.00 16.72 C
ATOM 313 CG ASP A 39 -47.660 -34.823 26.211 1.00 18.27 C
ATOM 314 OD1 ASP A 39 -48.608 -34.832 25.401 1.00 15.92 O
ATOM 315 OD2 ASP A 39 -47.820 -34.608 27.429 1.00 20.75 O
ATOM 316 N ALA A 40 -44.002 -35.141 23.024 1.00 24.57 N
ATOM 317 CA ALA A 40 -42.756 -34.549 22.526 1.00 26.27 C
ATOM 318 C ALA A 40 -43.182 -33.550 21.452 1.00 28.42 C
ATOM 319 O ALA A 40 -44.167 -33.797 20.757 1.00 29.39 O
ATOM 320 CB ALA A 40 -41.884 -35.634 21.900 1.00 24.81 C
ATOM 321 N ALA A 41 -42.482 -32.422 21.328 1.00 30.80 N
ATOM 322 CA ALA A 41 -42.808 -31.423 20.300 1.00 33.71 C
ATOM 323 C ALA A 41 -43.018 -32.088 18.923 1.00 37.27 C
ATOM 324 O ALA A 41 -43.926 -31.709 18.168 1.00 34.86 O
ATOM 325 CB ALA A 41 -41.718 -30.364 20.234 1.00 34.01 C
ATOM 326 N SER A 42 -42.161 -33.057 18.589 1.00 41.56 N
ATOM 327 CA SER A 42 -42.315 -33.831 17.348 1.00 47.13 C
ATOM 328 C SER A 42 -42.167 -35.318 17.716 1.00 47.42 C
ATOM 329 O SER A 42 -41.059 -35.879 17.678 1.00 48.37 O
ATOM 330 CB SER A 42 -41.320 -33.410 16.245 1.00 48.20 C
ATOM 331 OG SER A 42 -40.020 -33.154 16.758 1.00 56.40 O
ATOM 332 N PRO A 43 -43.274 -35.953 18.163 1.00 47.99 N
ATOM 333 CA PRO A 43 -43.235 -37.369 18.542 1.00 46.79 C
ATOM 334 C PRO A 43 -42.696 -38.291 17.447 1.00 45.45 C
ATOM 335 O PRO A 43 -43.172 -38.301 16.303 1.00 43.28 O
ATOM 336 CB PRO A 43 -44.691 -37.675 18.933 1.00 45.71 C
ATOM 337 CG PRO A 43 -45.486 -36.669 18.208 1.00 46.66 C
ATOM 338 CD PRO A 43 -44.639 -35.421 18.322 1.00 47.84 C
ATOM 339 N ARG A 44 -41.650 -39.021 17.823 1.00 44.18 N
ATOM 340 CA ARG A 44 -40.968 -39.966 16.952 1.00 42.51 C
ATOM 341 C ARG A 44 -40.245 -40.962 17.860 1.00 39.75 C
ATOM 342 O ARG A 44 -40.042 -40.698 19.056 1.00 35.98 O
ATOM 343 CB ARG A 44 -39.942 -39.227 16.095 1.00 43.54 C
ATOM 344 CG ARG A 44 -39.104 -38.304 16.918 1.00 48.31 C
ATOM 345 CD ARG A 44 -37.808 -37.911 16.254 1.00 56.89 C
ATOM 346 NE ARG A 44 -36.927 -37.296 17.246 1.00 62.10 N
ATOM 347 CZ ARG A 44 -36.835 -35.987 17.466 1.00 63.84 C
ATOM 348 NH1 ARG A 44 -37.515 -35.126 16.714 1.00 64.26 N
ATOM 349 NH2 ARG A 44 -36.017 -35.538 18.410 1.00 65.93 N
ATOM 350 N GLU A 45 -39.917 -42.126 17.309 1.00 38.02 N
ATOM 351 CA GLU A 45 -39.176 -43.145 18.041 1.00 38.34 C
ATOM 352 C GLU A 45 -37.721 -42.625 18.150 1.00 38.17 C
ATOM 353 O GLU A 45 -37.107 -42.315 17.120 1.00 36.41 O
ATOM 354 CB GLU A 45 -39.231 -44.466 17.266 1.00 37.59 C
ATOM 355 CG GLU A 45 -38.632 -45.652 17.978 1.00 40.74 C
ATOM 356 CD GLU A 45 -39.385 -46.049 19.249 1.00 44.04 C
ATOM 357 OE1 GLU A 45 -40.147 -45.236 19.834 1.00 42.64 O
ATOM 358 OE2 GLU A 45 -39.203 -47.207 19.673 1.00 45.48 O
ATOM 359 N GLU A 46 -37.201 -42.454 19.372 1.00 37.77 N
ATOM 360 CA GLU A 46 -35.827 -41.952 19.544 1.00 40.18 C
ATOM 361 C GLU A 46 -34.833 -42.755 20.407 1.00 36.60 C
ATOM 362 O GLU A 46 -35.145 -43.157 21.536 1.00 32.18 O
ATOM 363 CB GLU A 46 -35.820 -40.462 19.944 1.00 41.45 C
ATOM 364 CG GLU A 46 -36.419 -40.122 21.276 1.00 48.62 C
ATOM 365 CD GLU A 46 -36.915 -38.690 21.312 1.00 54.98 C
ATOM 366 OE1 GLU A 46 -36.462 -37.880 20.471 1.00 56.66 O
ATOM 367 OE2 GLU A 46 -37.781 -38.377 22.163 1.00 57.37 O
ATOM 368 N PRO A 47 -33.602 -42.960 19.880 1.00 35.95 N
ATOM 369 CA PRO A 47 -32.560 -43.708 20.581 1.00 34.65 C
ATOM 370 C PRO A 47 -32.275 -43.143 21.961 1.00 32.83 C
ATOM 371 O PRO A 47 -32.371 -41.936 22.195 1.00 31.78 O
ATOM 372 CB PRO A 47 -31.359 -43.621 19.628 1.00 33.54 C
ATOM 373 CG PRO A 47 -31.592 -42.368 18.885 1.00 36.54 C
ATOM 374 CD PRO A 47 -33.075 -42.411 18.615 1.00 37.06 C
ATOM 375 N ARG A 48 -32.023 -44.065 22.884 1.00 31.58 N
ATOM 376 CA ARG A 48 -31.747 -43.759 24.281 1.00 29.05 C
ATOM 377 C ARG A 48 -30.546 -44.593 24.709 1.00 27.61 C
ATOM 378 O ARG A 48 -30.234 -44.690 25.894 1.00 28.56 O
ATOM 379 CB ARG A 48 -32.983 -44.082 25.137 1.00 27.39 C
ATOM 380 CG ARG A 48 -34.225 -43.284 24.734 1.00 24.36 C
ATOM 381 CD ARG A 48 -33.975 -41.789 24.918 1.00 28.49 C
ATOM 382 NE ARG A 48 -33.806 -41.493 26.335 1.00 29.80 N
ATOM 383 CZ ARG A 48 -33.400 -40.334 26.847 1.00 31.99 C
ATOM 384 NH1 ARG A 48 -33.091 -39.307 26.062 1.00 33.97 N
ATOM 385 NH2 ARG A 48 -33.369 -40.191 28.166 1.00 30.73 N
ATOM 386 N ALA A 49 -29.891 -45.196 23.718 1.00 28.58 N
ATOM 387 CA ALA A 49 -28.699 -46.018 23.910 1.00 28.89 C
ATOM 388 C ALA A 49 -27.896 -45.975 22.596 1.00 29.81 C
ATOM 389 O ALA A 49 -28.450 -46.163 21.499 1.00 31.08 O
ATOM 390 CB ALA A 49 -29.081 -47.448 24.266 1.00 29.87 C
ATOM 391 N PRO A 50 -26.569 -45.781 22.696 1.00 28.95 N
ATOM 392 CA PRO A 50 -25.682 -45.705 21.530 1.00 27.67 C
ATOM 393 C PRO A 50 -25.823 -46.810 20.483 1.00 27.80 C
ATOM 394 O PRO A 50 -25.794 -46.527 19.290 1.00 29.22 O
ATOM 395 CB PRO A 50 -24.284 -45.716 22.164 1.00 28.96 C
ATOM 396 CG PRO A 50 -24.510 -45.101 23.536 1.00 30.30 C
ATOM 397 CD PRO A 50 -25.787 -45.786 23.952 1.00 28.53 C
ATOM 398 N TRP A 51 -26.019 -48.054 20.914 1.00 26.55 N
ATOM 399 CA TRP A 51 -26.099 -49.179 19.976 1.00 27.53 C
ATOM 400 C TRP A 51 -27.313 -49.320 19.056 1.00 28.73 C
ATOM 401 O TRP A 51 -27.307 -50.159 18.153 1.00 25.71 O
ATOM 402 CB TRP A 51 -25.810 -50.502 20.701 1.00 23.89 C
ATOM 403 CG TRP A 51 -26.622 -50.703 21.928 1.00 20.84 C
ATOM 404 CD1 TRP A 51 -26.249 -50.435 23.220 1.00 18.59 C
ATOM 405 CD2 TRP A 51 -27.962 -51.199 21.986 1.00 17.38 C
ATOM 406 NE1 TRP A 51 -27.283 -50.731 24.078 1.00 15.35 N
ATOM 407 CE2 TRP A 51 -28.348 -51.200 23.347 1.00 18.56 C
ATOM 408 CE3 TRP A 51 -28.878 -51.640 21.018 1.00 17.93 C
ATOM 409 CZ2 TRP A 51 -29.626 -51.629 23.768 1.00 16.23 C
ATOM 410 CZ3 TRP A 51 -30.142 -52.064 21.434 1.00 13.40 C
ATOM 411 CH2 TRP A 51 -30.499 -52.055 22.795 1.00 14.68 C
ATOM 412 N ILE A 52 -28.338 -48.496 19.265 1.00 30.90 N
ATOM 413 CA ILE A 52 -29.550 -48.554 18.429 1.00 30.44 C
ATOM 414 C ILE A 52 -29.525 -47.434 17.369 1.00 31.26 C
ATOM 415 O ILE A 52 -30.244 -47.489 16.366 1.00 28.44 O
ATOM 416 CB ILE A 52 -30.857 -48.467 19.324 1.00 29.70 C
ATOM 417 CG1 ILE A 52 -32.105 -48.813 18.515 1.00 22.61 C
ATOM 418 CG2 ILE A 52 -30.996 -47.089 19.971 1.00 31.74 C
ATOM 419 CD1 ILE A 52 -32.291 -50.274 18.314 1.00 21.30 C
ATOM 420 N GLU A 53 -28.638 -46.458 17.582 1.00 34.62 N
ATOM 421 CA GLU A 53 -28.475 -45.295 16.693 1.00 37.87 C
ATOM 422 C GLU A 53 -28.048 -45.656 15.284 1.00 37.11 C
ATOM 423 O GLU A 53 -28.401 -44.965 14.325 1.00 35.99 O
ATOM 424 CB GLU A 53 -27.433 -44.336 17.265 1.00 39.32 C
ATOM 425 CG GLU A 53 -27.789 -43.765 18.604 1.00 47.23 C
ATOM 426 CD GLU A 53 -26.898 -42.610 18.993 1.00 51.86 C
ATOM 427 OE1 GLU A 53 -26.400 -41.930 18.065 1.00 57.00 O
ATOM 428 OE2 GLU A 53 -26.714 -42.369 20.216 1.00 56.31 O
ATOM 429 N GLN A 54 -27.209 -46.688 15.200 1.00 38.20 N
ATOM 430 CA GLN A 54 -26.685 -47.200 13.943 1.00 38.36 C
ATOM 431 C GLN A 54 -27.776 -47.797 13.074 1.00 38.61 C
ATOM 432 O GLN A 54 -27.539 -48.091 11.908 1.00 40.21 O
ATOM 433 CB GLN A 54 -25.634 -48.275 14.207 1.00 40.09 C
ATOM 434 CG GLN A 54 -26.191 -49.573 14.790 1.00 40.47 C
ATOM 435 CD GLN A 54 -25.102 -50.584 15.086 1.00 41.14 C
ATOM 436 OE1 GLN A 54 -24.739 -51.385 14.226 1.00 46.61 O
ATOM 437 NE2 GLN A 54 -24.566 -50.543 16.298 1.00 39.06 N
ATOM 438 N GLU A 55 -28.941 -48.062 13.662 1.00 38.64 N
ATOM 439 CA GLU A 55 -30.051 -48.633 12.911 1.00 37.27 C
ATOM 440 C GLU A 55 -30.451 -47.587 11.866 1.00 37.25 C
ATOM 441 O GLU A 55 -30.431 -46.378 12.147 1.00 38.08 O
ATOM 442 CB GLU A 55 -31.208 -48.967 13.857 1.00 38.35 C
ATOM 443 CG GLU A 55 -31.828 -50.344 13.612 1.00 43.20 C
ATOM 444 CD GLU A 55 -30.871 -51.508 13.858 1.00 43.79 C
ATOM 445 OE1 GLU A 55 -30.551 -51.786 15.033 1.00 47.23 O
ATOM 446 OE2 GLU A 55 -30.455 -52.159 12.876 1.00 46.44 O
ATOM 447 N GLY A 56 -30.754 -48.045 10.654 1.00 35.74 N
ATOM 448 CA GLY A 56 -31.109 -47.131 9.575 1.00 37.16 C
ATOM 449 C GLY A 56 -32.326 -46.213 9.701 1.00 37.31 C
ATOM 450 O GLY A 56 -33.117 -46.315 10.647 1.00 32.67 O
ATOM 451 N PRO A 57 -32.537 -45.339 8.697 1.00 38.79 N
ATOM 452 CA PRO A 57 -33.652 -44.379 8.636 1.00 39.24 C
ATOM 453 C PRO A 57 -35.007 -45.088 8.616 1.00 37.68 C
ATOM 454 O PRO A 57 -35.954 -44.656 9.272 1.00 36.00 O
ATOM 455 CB PRO A 57 -33.414 -43.661 7.302 1.00 40.97 C
ATOM 456 CG PRO A 57 -31.910 -43.810 7.083 1.00 42.11 C
ATOM 457 CD PRO A 57 -31.693 -45.236 7.491 1.00 40.36 C
ATOM 458 N GLU A 58 -35.092 -46.184 7.866 1.00 36.21 N
ATOM 459 CA GLU A 58 -36.334 -46.910 7.768 1.00 37.05 C
ATOM 460 C GLU A 58 -36.707 -47.578 9.088 1.00 35.91 C
ATOM 461 O GLU A 58 -37.879 -47.837 9.335 1.00 36.39 O
ATOM 462 CB GLU A 58 -36.298 -47.911 6.626 1.00 40.90 C
ATOM 463 CG GLU A 58 -35.916 -49.322 7.022 1.00 56.35 C
ATOM 464 CD GLU A 58 -36.380 -50.361 5.994 1.00 65.03 C
ATOM 465 OE1 GLU A 58 -37.604 -50.417 5.696 1.00 67.69 O
ATOM 466 OE2 GLU A 58 -35.518 -51.120 5.481 1.00 70.16 O
ATOM 467 N TYR A 59 -35.724 -47.842 9.947 1.00 32.80 N
ATOM 468 CA TYR A 59 -36.019 -48.450 11.240 1.00 27.26 C
ATOM 469 C TYR A 59 -36.806 -47.462 12.081 1.00 28.15 C
ATOM 470 O TYR A 59 -37.821 -47.820 12.692 1.00 27.46 O
ATOM 471 CB TYR A 59 -34.746 -48.798 12.004 1.00 23.32 C
ATOM 472 CG TYR A 59 -34.984 -49.210 13.457 1.00 19.91 C
ATOM 473 CD1 TYR A 59 -35.018 -48.262 14.489 1.00 18.35 C
ATOM 474 CD2 TYR A 59 -35.149 -50.558 13.798 1.00 21.52 C
ATOM 475 CE1 TYR A 59 -35.206 -48.654 15.827 1.00 21.23 C
ATOM 476 CE2 TYR A 59 -35.337 -50.959 15.114 1.00 17.90 C
ATOM 477 CZ TYR A 59 -35.362 -50.017 16.118 1.00 19.31 C
ATOM 478 OH TYR A 59 -35.518 -50.459 17.398 1.00 18.50 O
ATOM 479 N TRP A 60 -36.298 -46.233 12.143 1.00 27.18 N
ATOM 480 CA TRP A 60 -36.909 -45.175 12.927 1.00 24.18 C
ATOM 481 C TRP A 60 -38.260 -44.810 12.405 1.00 24.08 C
ATOM 482 O TRP A 60 -39.174 -44.577 13.197 1.00 26.07 O
ATOM 483 CB TRP A 60 -35.989 -43.956 13.002 1.00 24.08 C
ATOM 484 CG TRP A 60 -34.734 -44.332 13.655 1.00 27.99 C
ATOM 485 CD1 TRP A 60 -33.555 -44.625 13.044 1.00 26.61 C
ATOM 486 CD2 TRP A 60 -34.562 -44.666 15.046 1.00 31.29 C
ATOM 487 NE1 TRP A 60 -32.663 -45.146 13.956 1.00 30.24 N
ATOM 488 CE2 TRP A 60 -33.255 -45.184 15.193 1.00 31.30 C
ATOM 489 CE3 TRP A 60 -35.397 -44.592 16.178 1.00 29.56 C
ATOM 490 CZ2 TRP A 60 -32.754 -45.626 16.430 1.00 31.69 C
ATOM 491 CZ3 TRP A 60 -34.898 -45.035 17.409 1.00 30.56 C
ATOM 492 CH2 TRP A 60 -33.589 -45.545 17.521 1.00 31.38 C
ATOM 493 N ASP A 61 -38.395 -44.786 11.082 1.00 23.05 N
ATOM 494 CA ASP A 61 -39.678 -44.465 10.461 1.00 25.85 C
ATOM 495 C ASP A 61 -40.707 -45.521 10.796 1.00 25.84 C
ATOM 496 O ASP A 61 -41.761 -45.201 11.309 1.00 28.06 O
ATOM 497 CB ASP A 61 -39.561 -44.333 8.945 1.00 29.94 C
ATOM 498 CG ASP A 61 -38.861 -43.057 8.534 1.00 39.65 C
ATOM 499 OD1 ASP A 61 -38.745 -42.125 9.385 1.00 39.15 O
ATOM 500 OD2 ASP A 61 -38.416 -42.995 7.358 1.00 45.90 O
ATOM 501 N ARG A 62 -40.376 -46.786 10.557 1.00 23.98 N
ATOM 502 CA ARG A 62 -41.306 -47.866 10.838 1.00 24.15 C
ATOM 503 C ARG A 62 -41.748 -47.884 12.308 1.00 22.57 C
ATOM 504 O ARG A 62 -42.940 -48.018 12.604 1.00 22.84 O
ATOM 505 CB ARG A 62 -40.685 -49.208 10.447 1.00 26.80 C
ATOM 506 CG ARG A 62 -41.530 -50.420 10.798 1.00 32.64 C
ATOM 507 CD ARG A 62 -40.861 -51.729 10.366 1.00 37.22 C
ATOM 508 NE ARG A 62 -39.614 -51.988 11.087 1.00 43.48 N
ATOM 509 CZ ARG A 62 -38.409 -52.065 10.518 1.00 43.76 C
ATOM 510 NH1 ARG A 62 -38.268 -51.914 9.200 1.00 43.89 N
ATOM 511 NH2 ARG A 62 -37.335 -52.242 11.282 1.00 42.26 N
ATOM 512 N ASN A 63 -40.805 -47.722 13.232 1.00 20.43 N
ATOM 513 CA ASN A 63 -41.164 -47.743 14.638 1.00 20.15 C
ATOM 514 C ASN A 63 -41.897 -46.503 15.042 1.00 20.27 C
ATOM 515 O ASN A 63 -42.796 -46.577 15.857 1.00 21.97 O
ATOM 516 CB ASN A 63 -39.965 -48.016 15.530 1.00 21.78 C
ATOM 517 CG ASN A 63 -39.580 -49.466 15.504 1.00 26.03 C
ATOM 518 OD1 ASN A 63 -40.249 -50.304 16.099 1.00 29.15 O
ATOM 519 ND2 ASN A 63 -38.583 -49.793 14.714 1.00 27.59 N
ATOM 520 N THR A 64 -41.557 -45.369 14.443 1.00 21.44 N
ATOM 521 CA THR A 64 -42.266 -44.139 14.756 1.00 22.20 C
ATOM 522 C THR A 64 -43.740 -44.326 14.380 1.00 20.67 C
ATOM 523 O THR A 64 -44.633 -43.999 15.155 1.00 20.04 O
ATOM 524 CB THR A 64 -41.669 -42.944 13.996 1.00 21.08 C
ATOM 525 OG1 THR A 64 -40.434 -42.583 14.622 1.00 22.50 O
ATOM 526 CG2 THR A 64 -42.614 -41.756 14.036 1.00 19.57 C
ATOM 527 N GLN A 65 -43.984 -44.926 13.222 1.00 21.87 N
ATOM 528 CA GLN A 65 -45.349 -45.152 12.778 1.00 24.82 C
ATOM 529 C GLN A 65 -46.077 -46.130 13.674 1.00 22.96 C
ATOM 530 O GLN A 65 -47.258 -45.918 13.968 1.00 24.95 O
ATOM 531 CB GLN A 65 -45.423 -45.583 11.318 1.00 26.35 C
ATOM 532 CG GLN A 65 -45.101 -44.416 10.350 1.00 40.43 C
ATOM 533 CD GLN A 65 -45.628 -43.042 10.822 1.00 44.78 C
ATOM 534 OE1 GLN A 65 -44.851 -42.159 11.249 1.00 44.53 O
ATOM 535 NE2 GLN A 65 -46.941 -42.844 10.721 1.00 45.80 N
ATOM 536 N ILE A 66 -45.380 -47.167 14.131 1.00 19.05 N
ATOM 537 CA ILE A 66 -45.973 -48.160 15.014 1.00 17.32 C
ATOM 538 C ILE A 66 -46.427 -47.476 16.312 1.00 16.73 C
ATOM 539 O ILE A 66 -47.534 -47.710 16.792 1.00 17.61 O
ATOM 540 CB ILE A 66 -44.980 -49.345 15.276 1.00 14.37 C
ATOM 541 CG1 ILE A 66 -44.896 -50.226 14.035 1.00 14.34 C
ATOM 542 CG2 ILE A 66 -45.412 -50.184 16.484 1.00 13.04 C
ATOM 543 CD1 ILE A 66 -43.778 -51.256 14.054 1.00 19.65 C
ATOM 544 N PHE A 67 -45.630 -46.527 16.785 1.00 16.06 N
ATOM 545 CA PHE A 67 -45.930 -45.815 18.009 1.00 14.48 C
ATOM 546 C PHE A 67 -47.005 -44.769 17.878 1.00 15.06 C
ATOM 547 O PHE A 67 -47.787 -44.579 18.801 1.00 15.62 O
ATOM 548 CB PHE A 67 -44.646 -45.286 18.653 1.00 18.97 C
ATOM 549 CG PHE A 67 -43.816 -46.372 19.256 1.00 25.59 C
ATOM 550 CD1 PHE A 67 -44.179 -46.938 20.471 1.00 29.03 C
ATOM 551 CD2 PHE A 67 -42.783 -46.948 18.542 1.00 28.28 C
ATOM 552 CE1 PHE A 67 -43.530 -48.070 20.950 1.00 32.07 C
ATOM 553 CE2 PHE A 67 -42.132 -48.087 19.017 1.00 31.46 C
ATOM 554 CZ PHE A 67 -42.509 -48.646 20.222 1.00 30.70 C
ATOM 555 N LYS A 68 -47.075 -44.108 16.735 1.00 13.89 N
ATOM 556 CA LYS A 68 -48.131 -43.123 16.539 1.00 17.08 C
ATOM 557 C LYS A 68 -49.477 -43.866 16.477 1.00 17.63 C
ATOM 558 O LYS A 68 -50.475 -43.446 17.055 1.00 23.36 O
ATOM 559 CB LYS A 68 -47.917 -42.363 15.237 1.00 20.34 C
ATOM 560 CG LYS A 68 -46.793 -41.352 15.296 1.00 28.07 C
ATOM 561 CD LYS A 68 -46.786 -40.470 14.043 1.00 34.97 C
ATOM 562 CE LYS A 68 -45.814 -39.307 14.247 1.00 40.14 C
ATOM 563 NZ LYS A 68 -45.976 -38.687 15.623 1.00 40.52 N
ATOM 564 N THR A 69 -49.492 -44.975 15.754 1.00 16.07 N
ATOM 565 CA THR A 69 -50.681 -45.782 15.615 1.00 15.63 C
ATOM 566 C THR A 69 -51.081 -46.377 16.969 1.00 16.53 C
ATOM 567 O THR A 69 -52.260 -46.382 17.303 1.00 19.87 O
ATOM 568 CB THR A 69 -50.492 -46.854 14.525 1.00 17.61 C
ATOM 569 OG1 THR A 69 -50.153 -46.218 13.287 1.00 19.53 O
ATOM 570 CG2 THR A 69 -51.778 -47.643 14.304 1.00 22.82 C
ATOM 571 N ASN A 70 -50.108 -46.803 17.779 1.00 14.56 N
ATOM 572 CA ASN A 70 -50.392 -47.348 19.112 1.00 13.35 C
ATOM 573 C ASN A 70 -50.957 -46.259 20.022 1.00 15.39 C
ATOM 574 O ASN A 70 -51.716 -46.568 20.946 1.00 12.30 O
ATOM 575 CB ASN A 70 -49.138 -47.956 19.774 1.00 12.46 C
ATOM 576 CG ASN A 70 -48.708 -49.276 19.137 1.00 14.25 C
ATOM 577 OD1 ASN A 70 -49.374 -49.809 18.261 1.00 16.99 O
ATOM 578 ND2 ASN A 70 -47.611 -49.816 19.603 1.00 12.18 N
ATOM 579 N THR A 71 -50.540 -45.003 19.800 1.00 15.37 N
ATOM 580 CA THR A 71 -51.047 -43.862 20.587 1.00 15.17 C
ATOM 581 C THR A 71 -52.564 -43.765 20.388 1.00 14.34 C
ATOM 582 O THR A 71 -53.327 -43.592 21.346 1.00 13.97 O
ATOM 583 CB THR A 71 -50.401 -42.543 20.151 1.00 12.74 C
ATOM 584 OG1 THR A 71 -49.004 -42.572 20.404 1.00 14.49 O
ATOM 585 CG2 THR A 71 -50.971 -41.330 20.900 1.00 9.02 C
ATOM 586 N GLN A 72 -52.952 -43.891 19.131 1.00 15.18 N
ATOM 587 CA GLN A 72 -54.361 -43.820 18.722 1.00 17.42 C
ATOM 588 C GLN A 72 -55.140 -45.024 19.269 1.00 17.92 C
ATOM 589 O GLN A 72 -56.223 -44.875 19.851 1.00 16.57 O
ATOM 590 CB GLN A 72 -54.454 -43.790 17.201 1.00 20.35 C
ATOM 591 CG GLN A 72 -54.397 -42.363 16.665 1.00 32.54 C
ATOM 592 CD GLN A 72 -54.968 -41.357 17.663 1.00 42.58 C
ATOM 593 OE1 GLN A 72 -54.234 -40.522 18.191 1.00 44.07 O
ATOM 594 NE2 GLN A 72 -56.254 -41.391 17.960 1.00 45.80 N
ATOM 595 N THR A 73 -54.573 -46.204 19.077 1.00 18.37 N
ATOM 596 CA THR A 73 -55.199 -47.452 19.553 1.00 16.32 C
ATOM 597 C THR A 73 -55.412 -47.375 21.074 1.00 14.58 C