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1A1O.pdb
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1A1O.pdb
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HEADER COMPLEX (ANTIGEN/PEPTIDE) 11-DEC-97 1A1O
TITLE MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6
TITLE 2 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: B*5301;
COMPND 3 CHAIN: A, B;
COMPND 4 SYNONYM: B53;
COMPND 5 ENGINEERED: YES;
COMPND 6 BIOLOGICAL_UNIT: DIMER OF ALPHA CHAIN AND A BETA CHAIN;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: PEPTIDE LS6 (KPIVQYDNF);
COMPND 9 CHAIN: C;
COMPND 10 ENGINEERED: YES;
COMPND 11 OTHER_DETAILS: LS6 FROM THE NEF PROTEIN (75-82) OF HIV-1
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_STRAIN: BL21 (DE3) PLYSS;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: T7 POLYMERASE;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PGMT7;
SOURCE 8 MOL_ID: 2;
SOURCE 9 SYNTHETIC: YES;
SOURCE 10 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
KEYWDS MAJOR HISTOCOMPATIBILITY ANTIGEN, MHC, HLA, HLA-B53,
KEYWDS 2 MALARIA, COMPLEX (ANTIGEN/PEPTIDE)
EXPDTA X-RAY DIFFRACTION
AUTHOR K.J.SMITH,S.W.REID,K.HARLOS,A.J.MCMICHAEL,D.I.STUART,
AUTHOR 2 J.I.BELL,E.Y.JONES
REVDAT 1 08-APR-98 1A1O 0
JRNL AUTH K.J.SMITH,S.W.REID,K.HARLOS,A.J.MCMICHAEL,
JRNL AUTH 2 D.I.STUART,J.I.BELL,E.Y.JONES
JRNL TITL BOUND WATER STRUCTURE AND POLYMORPHIC AMINO ACIDS
JRNL TITL 2 ACT TOGETHER TO ALLOW THE BINDING OF DIFFERENT
JRNL TITL 3 PEPTIDES TO MHC CLASS I HLA-B53
JRNL REF IMMUNITY V. 4 215 1996
JRNL REFN ASTM IUNIEH US ISSN 1074-7613 2048
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.3 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) : 2.3
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.0
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.1
REMARK 3 NUMBER OF REFLECTIONS : 88881
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) : 0.168
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 : 3168
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 113
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.3
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) : 0.013
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) : 3.5 ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.4 ; 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 : NULL
REMARK 3 PARAMETER FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1A1O 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 : 09-FEB-1996
REMARK 200 TEMPERATURE (KELVIN) : 287
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 4
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SRS
REMARK 200 BEAMLINE : 9.6
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : 30 CM 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 : 27424
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.3
REMARK 200 RESOLUTION RANGE LOW (A) : 15.
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 97.1
REMARK 200 DATA REDUNDANCY : 3.6
REMARK 200 R MERGE (I) : 0.090
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) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
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 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR
REMARK 200 REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: PDB ENTRY 1HSA
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 54.0
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 18% PEG8000 0.1M SODIUM
REMARK 280 CACODYLATE PH6.5 0.2M CALCIUM 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 25.65023
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 56.19872
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 41.64931
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 56.19872
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.65023
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 41.64931
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 ligand(s)
REMARK 410 LSA-1 1786-1794 peptide (Q25893)
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Peptide
REMARK 410 Species
REMARK 410 Plasmodium falciparum (malaria parasite P. falciparum)
REMARK 410 Chain ID
REMARK 410 1a1o_C
REMARK 410
REMARK 410 IMGT protein name
REMARK 410 MH1 HLA-B*5301
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 1a1o_A,1a1o_B
REMARK 410
REMARK 410
REMARK 410 Chain ID 1a1o_A (1A1OA)
REMARK 410 IMGT chain description I-ALPHA
REMARK 410 Chain amino acid sequence
REMARK 410 [ G-ALPHA1 (1-90) [D1]
REMARK 410 GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRPPWIEQEGPEYWDRNTQI
REMARK 410 ][ G-ALPHA
REMARK 410 FKTNTQTYRENLRIALRYYNQSEAGSHIIQRMYGCDLGPDGRLLRGHDQSAYDGKDYIALNEDLSS
REMARK 410 2 (91-182) [D2] ][
REMARK 410 WTAADTAAQITQRKWEAARVAEQLRAYLEGLCVEWLRRYLENGKETLQRADPPKTHVTHHPVSDHE
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*5301
REMARK 410 G-DOMAIN IMGT gene and allele (98.89%)
REMARK 410 G-DOMAIN ..........GSHSMRY.FYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAA
REMARK 410 G-DOMAIN SPRTEPRP.......PWIEQEGPEYWDRNTQIFKTNTQTYRENLRIALRYYN
REMARK 410 G-DOMAIN QSEA
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA2
REMARK 410 G-DOMAIN IMGT gene and allele Homo sapiens HLA-B*5301
REMARK 410 G-DOMAIN IMGT gene and allele (100%)
REMARK 410 G-DOMAIN ..........GSHIIQRMYGCDLGPDGRLLRGHDQSAYDGKDYIALNED..L
REMARK 410 G-DOMAIN SSWTAAD.......TAAQITQRKWEAA.RVAEQLRAYLEGLCVEWLRRYLEN
REMARK 410 G-DOMAIN GKETLQRA
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Homo sapiens HLA-B*5301
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .......DPPKTHVTHHPVSD......HEATLRCWALGFYP..AEITLTWQR
REMARK 410 C-LIKE-DOMAIN DGEDQTQ..DTELVETRPAGD......RTFQKWAAVVVPSG.....EEQRYT
REMARK 410 C-LIKE-DOMAIN CHVQHEG..LPKPLTLRW
REMARK 410
REMARK 410 Chain ID 1a1o_B (1A1OB)
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: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 4*RMSD AND BY MORE THAN 0.150 ANGSTROMS (M=MODEL
REMARK 500 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 500 NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,1X,2(A4,A1,3X),12X,F5.3)
REMARK 500
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 0 MET A 5 SD MET A 5 CE 0.221
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 1A1O A SWS P30491 1 - 24 NOT IN ATOMS LIST
REMARK 999 1A1O A SWS P30491 301 - 362 NOT IN ATOMS LIST
REMARK 999 1A1O B SWS P01884 1 - 20 NOT IN ATOMS LIST
DBREF 1A1O A 1 276 SWS P30491 1B54_HUMAN 25 300
DBREF 1A1O B 1 99 SWS P01884 B2MG_HUMAN 21 119
DBREF 1A1O C 1 9 PDB 1A1O 1A1O 1 9
SEQADV 1A1O PRO A 49 SWS P30491 ALA 73 CONFLICT
SEQRES 1 A 276 GLY SER HIS SER MET ARG TYR PHE TYR THR ALA MET SER
SEQRES 2 A 276 ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE ALA VAL GLY
SEQRES 3 A 276 TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP SER ASP
SEQRES 4 A 276 ALA ALA SER PRO ARG THR GLU PRO ARG PRO PRO TRP ILE
SEQRES 5 A 276 GLU GLN GLU GLY PRO GLU TYR TRP ASP ARG ASN THR GLN
SEQRES 6 A 276 ILE PHE LYS THR ASN THR GLN THR TYR ARG GLU ASN LEU
SEQRES 7 A 276 ARG ILE ALA LEU ARG TYR TYR ASN GLN SER GLU ALA GLY
SEQRES 8 A 276 SER HIS ILE ILE GLN ARG MET TYR GLY CYS ASP LEU GLY
SEQRES 9 A 276 PRO ASP GLY ARG LEU LEU ARG GLY HIS ASP GLN SER ALA
SEQRES 10 A 276 TYR ASP GLY LYS ASP TYR ILE ALA LEU ASN GLU ASP LEU
SEQRES 11 A 276 SER SER TRP THR ALA ALA ASP THR ALA ALA GLN ILE THR
SEQRES 12 A 276 GLN ARG LYS TRP GLU ALA ALA ARG VAL ALA GLU GLN LEU
SEQRES 13 A 276 ARG ALA TYR LEU GLU GLY LEU CYS VAL GLU TRP LEU ARG
SEQRES 14 A 276 ARG TYR LEU GLU ASN GLY LYS GLU THR LEU GLN ARG ALA
SEQRES 15 A 276 ASP PRO PRO LYS THR HIS VAL THR HIS HIS PRO VAL SER
SEQRES 16 A 276 ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE
SEQRES 17 A 276 TYR PRO ALA GLU ILE THR LEU THR TRP GLN ARG ASP GLY
SEQRES 18 A 276 GLU ASP GLN THR GLN ASP THR GLU LEU VAL GLU THR ARG
SEQRES 19 A 276 PRO ALA GLY ASP ARG THR PHE GLN LYS TRP ALA ALA VAL
SEQRES 20 A 276 VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS
SEQRES 21 A 276 VAL GLN HIS GLU GLY LEU PRO LYS PRO LEU THR LEU ARG
SEQRES 22 A 276 TRP GLU PRO
SEQRES 1 B 99 ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG HIS
SEQRES 2 B 99 PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS TYR
SEQRES 3 B 99 VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP LEU
SEQRES 4 B 99 LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS SER
SEQRES 5 B 99 ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU LEU
SEQRES 6 B 99 TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU TYR
SEQRES 7 B 99 ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO LYS
SEQRES 8 B 99 ILE VAL LYS TRP ASP ARG ASP MET
SEQRES 1 C 9 LYS PRO ILE VAL GLN TYR ASP ASN PHE
FORMUL 4 HOH *113(H2 O1)
HELIX 1 1 PRO A 50 ILE A 52 5 3
HELIX 2 2 PRO A 57 TYR A 85 1 29
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 LEU 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 ILE A1004 LEU A1013 -1 N LEU 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 SER A1026
SHEET 7 A 7 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 LEU A2026 -1 N LEU A2026 O LYS A2003
SHEET 3 B 4 LYS A2085 PRO A2092 -1 N VAL A2091 O ALA A2019
SHEET 4 B 4 THR A2078 LEU A2080 -1 N GLU A2079 O ALA A2088
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 GLU B 38 LYS B 43 0
SHEET 2 E 3 TYR B 102 ASN B 107 -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
SSBOND 1 CYS A 1011 CYS A 1074
SSBOND 2 CYS A 2023 CYS A 2104
SSBOND 3 CYS B 23 CYS B 104
CISPEP 1 TYR A 2029 PRO A 2030 0 0.27
CISPEP 2 HIS B 29 PRO B 30 0 -1.00
CRYST1 51.300 83.300 112.400 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 0.019493 0.000000 0.000000 0.00000
SCALE2 0.000000 0.012005 0.000000 0.00000
SCALE3 0.000000 0.000000 0.008897 0.00000
ATOM 1 N GLY A 1 15.072 15.969 33.511 1.00 60.45 N
ATOM 2 CA GLY A 1 16.191 15.318 32.766 1.00 58.34 C
ATOM 3 C GLY A 1 17.366 16.258 32.581 1.00 55.16 C
ATOM 4 O GLY A 1 17.241 17.461 32.832 1.00 58.75 O
ATOM 5 N SER A 2 18.496 15.699 32.158 1.00 49.99 N
ATOM 6 CA SER A 2 19.735 16.441 31.915 1.00 45.33 C
ATOM 7 C SER A 2 19.565 17.877 31.333 1.00 38.89 C
ATOM 8 O SER A 2 20.201 18.807 31.825 1.00 42.63 O
ATOM 9 CB SER A 2 20.659 15.589 31.029 1.00 48.77 C
ATOM 10 OG SER A 2 22.024 15.929 31.189 1.00 51.18 O
ATOM 11 N HIS A 3 18.751 18.059 30.287 1.00 28.40 N
ATOM 12 CA HIS A 3 18.515 19.394 29.684 1.00 20.96 C
ATOM 13 C HIS A 3 17.054 19.586 29.286 1.00 18.43 C
ATOM 14 O HIS A 3 16.356 18.610 29.010 1.00 18.03 O
ATOM 15 CB HIS A 3 19.370 19.619 28.427 1.00 16.37 C
ATOM 16 CG HIS A 3 20.841 19.620 28.688 1.00 20.14 C
ATOM 17 ND1 HIS A 3 21.459 20.587 29.452 1.00 19.77 N
ATOM 18 CD2 HIS A 3 21.813 18.751 28.321 1.00 15.60 C
ATOM 19 CE1 HIS A 3 22.747 20.319 29.543 1.00 19.46 C
ATOM 20 NE2 HIS A 3 22.988 19.209 28.866 1.00 21.10 N
ATOM 21 N SER A 4 16.590 20.832 29.235 1.00 15.75 N
ATOM 22 CA SER A 4 15.219 21.106 28.835 1.00 13.00 C
ATOM 23 C SER A 4 15.053 22.447 28.139 1.00 14.16 C
ATOM 24 O SER A 4 15.923 23.318 28.239 1.00 17.32 O
ATOM 25 CB SER A 4 14.322 21.050 30.040 1.00 13.61 C
ATOM 26 OG SER A 4 14.874 21.840 31.051 1.00 20.54 O
ATOM 27 N MET A 5 13.998 22.554 27.336 1.00 14.51 N
ATOM 28 CA MET A 5 13.648 23.790 26.645 1.00 11.43 C
ATOM 29 C MET A 5 12.237 24.148 27.106 1.00 15.08 C
ATOM 30 O MET A 5 11.327 23.301 27.100 1.00 14.29 O
ATOM 31 CB MET A 5 13.667 23.648 25.124 1.00 11.00 C
ATOM 32 CG MET A 5 13.525 25.015 24.447 1.00 9.69 C
ATOM 33 SD MET A 5 13.447 24.994 22.691 1.00 16.61 S
ATOM 34 CE MET A 5 14.926 24.569 22.380 1.00 29.62 C
ATOM 35 N ARG A 6 12.037 25.406 27.468 1.00 16.10 N
ATOM 36 CA ARG A 6 10.738 25.830 27.956 1.00 15.76 C
ATOM 37 C ARG A 6 10.353 27.196 27.424 1.00 13.85 C
ATOM 38 O ARG A 6 11.205 28.071 27.338 1.00 16.46 O
ATOM 39 CB ARG A 6 10.803 25.879 29.504 1.00 16.93 C
ATOM 40 CG ARG A 6 9.623 25.265 30.269 1.00 22.31 C
ATOM 41 CD ARG A 6 9.315 23.816 29.864 1.00 21.21 C
ATOM 42 NE ARG A 6 9.480 22.867 30.965 1.00 20.07 N
ATOM 43 CZ ARG A 6 10.190 21.735 30.891 1.00 19.50 C
ATOM 44 NH1 ARG A 6 10.797 21.382 29.761 1.00 16.78 N
ATOM 45 NH2 ARG A 6 10.399 21.021 31.989 1.00 17.18 N
ATOM 46 N TYR A 7 9.108 27.361 26.984 1.00 13.79 N
ATOM 47 CA TYR A 7 8.625 28.696 26.581 1.00 11.51 C
ATOM 48 C TYR A 7 7.536 29.075 27.598 1.00 15.30 C
ATOM 49 O TYR A 7 6.739 28.213 27.986 1.00 16.18 O
ATOM 50 CB TYR A 7 8.035 28.733 25.176 1.00 11.36 C
ATOM 51 CG TYR A 7 9.075 28.804 24.095 1.00 11.32 C
ATOM 52 CD1 TYR A 7 9.603 30.014 23.700 1.00 10.52 C
ATOM 53 CD2 TYR A 7 9.564 27.650 23.502 1.00 13.65 C
ATOM 54 CE1 TYR A 7 10.597 30.075 22.753 1.00 12.11 C
ATOM 55 CE2 TYR A 7 10.564 27.702 22.553 1.00 13.98 C
ATOM 56 CZ TYR A 7 11.076 28.922 22.186 1.00 11.10 C
ATOM 57 OH TYR A 7 12.099 28.963 21.274 1.00 15.15 O
ATOM 58 N PHE A 8 7.584 30.316 28.104 1.00 13.54 N
ATOM 59 CA PHE A 8 6.612 30.843 29.059 1.00 11.78 C
ATOM 60 C PHE A 8 5.817 31.993 28.429 1.00 14.06 C
ATOM 61 O PHE A 8 6.403 32.982 28.033 1.00 17.62 O
ATOM 62 CB PHE A 8 7.337 31.372 30.290 1.00 12.35 C
ATOM 63 CG PHE A 8 8.131 30.336 31.001 1.00 15.20 C
ATOM 64 CD1 PHE A 8 9.428 30.040 30.600 1.00 17.09 C
ATOM 65 CD2 PHE A 8 7.573 29.620 32.054 1.00 17.52 C
ATOM 66 CE1 PHE A 8 10.151 29.044 31.246 1.00 15.21 C
ATOM 67 CE2 PHE A 8 8.284 28.627 32.704 1.00 17.30 C
ATOM 68 CZ PHE A 8 9.572 28.338 32.300 1.00 15.65 C
ATOM 69 N TYR A 9 4.500 31.843 28.306 1.00 13.45 N
ATOM 70 CA TYR A 9 3.623 32.873 27.744 1.00 9.68 C
ATOM 71 C TYR A 9 2.785 33.475 28.854 1.00 9.86 C
ATOM 72 O TYR A 9 2.267 32.752 29.699 1.00 9.06 O
ATOM 73 CB TYR A 9 2.644 32.273 26.738 1.00 9.34 C
ATOM 74 CG TYR A 9 3.261 31.657 25.494 1.00 6.99 C
ATOM 75 CD1 TYR A 9 4.635 31.706 25.250 1.00 6.23 C
ATOM 76 CD2 TYR A 9 2.460 31.058 24.547 1.00 6.33 C
ATOM 77 CE1 TYR A 9 5.174 31.172 24.076 1.00 3.23 C
ATOM 78 CE2 TYR A 9 2.993 30.526 23.383 1.00 5.66 C
ATOM 79 CZ TYR A 9 4.335 30.589 23.158 1.00 5.77 C
ATOM 80 OH TYR A 9 4.813 30.102 21.965 1.00 9.67 O
ATOM 81 N THR A 10 2.678 34.797 28.868 1.00 11.20 N
ATOM 82 CA THR A 10 1.846 35.517 29.837 1.00 11.45 C
ATOM 83 C THR A 10 1.059 36.574 29.046 1.00 12.92 C
ATOM 84 O THR A 10 1.644 37.366 28.307 1.00 15.14 O
ATOM 85 CB THR A 10 2.678 36.249 30.921 1.00 11.00 C
ATOM 86 OG1 THR A 10 3.547 35.324 31.586 1.00 14.67 O
ATOM 87 CG2 THR A 10 1.763 36.888 31.952 1.00 9.59 C
ATOM 88 N ALA A 11 -0.262 36.544 29.166 1.00 13.40 N
ATOM 89 CA ALA A 11 -1.169 37.496 28.508 1.00 12.11 C
ATOM 90 C ALA A 11 -1.955 38.178 29.636 1.00 15.48 C
ATOM 91 O ALA A 11 -2.533 37.462 30.474 1.00 16.07 O
ATOM 92 CB ALA A 11 -2.128 36.748 27.611 1.00 11.45 C
ATOM 93 N MET A 12 -1.937 39.518 29.704 1.00 13.84 N
ATOM 94 CA MET A 12 -2.662 40.243 30.753 1.00 17.62 C
ATOM 95 C MET A 12 -3.617 41.326 30.221 1.00 19.65 C
ATOM 96 O MET A 12 -3.210 42.219 29.463 1.00 20.20 O
ATOM 97 CB MET A 12 -1.706 40.936 31.714 1.00 23.53 C
ATOM 98 CG MET A 12 -0.425 40.226 31.994 1.00 42.91 C
ATOM 99 SD MET A 12 0.957 41.350 31.783 1.00 61.13 S
ATOM 100 CE MET A 12 2.178 40.619 32.821 1.00 53.97 C
ATOM 101 N SER A 13 -4.879 41.266 30.632 1.00 14.85 N
ATOM 102 CA SER A 13 -5.829 42.291 30.210 1.00 15.14 C
ATOM 103 C SER A 13 -5.683 43.469 31.169 1.00 14.84 C
ATOM 104 O SER A 13 -5.214 43.295 32.310 1.00 15.38 O
ATOM 105 CB SER A 13 -7.265 41.761 30.205 1.00 11.01 C
ATOM 106 OG SER A 13 -7.652 41.254 31.471 1.00 13.22 O
ATOM 107 N ARG A 14 -6.050 44.661 30.705 1.00 14.46 N
ATOM 108 CA ARG A 14 -5.944 45.882 31.516 1.00 14.63 C
ATOM 109 C ARG A 14 -6.997 46.819 30.945 1.00 16.84 C
ATOM 110 O ARG A 14 -6.696 47.730 30.196 1.00 16.06 O
ATOM 111 CB ARG A 14 -4.531 46.484 31.370 1.00 12.60 C
ATOM 112 CG ARG A 14 -4.032 46.426 29.930 1.00 11.06 C
ATOM 113 CD ARG A 14 -2.549 46.682 29.743 1.00 11.92 C
ATOM 114 NE ARG A 14 -2.236 46.622 28.309 1.00 12.37 N
ATOM 115 CZ ARG A 14 -1.025 46.818 27.794 1.00 13.43 C
ATOM 116 NH1 ARG A 14 -0.009 47.094 28.593 1.00 12.08 N
ATOM 117 NH2 ARG A 14 -0.815 46.669 26.490 1.00 10.16 N
ATOM 118 N PRO A 15 -8.257 46.619 31.327 1.00 19.71 N
ATOM 119 CA PRO A 15 -9.348 47.463 30.825 1.00 19.99 C
ATOM 120 C PRO A 15 -9.099 48.959 31.059 1.00 18.34 C
ATOM 121 O PRO A 15 -8.678 49.368 32.148 1.00 18.23 O
ATOM 122 CB PRO A 15 -10.564 46.966 31.617 1.00 22.03 C
ATOM 123 CG PRO A 15 -10.125 45.579 32.133 1.00 26.42 C
ATOM 124 CD PRO A 15 -8.700 45.810 32.478 1.00 18.94 C
ATOM 125 N GLY A 16 -9.352 49.756 30.024 1.00 16.99 N
ATOM 126 CA GLY A 16 -9.169 51.188 30.113 1.00 20.11 C
ATOM 127 C GLY A 16 -7.765 51.620 29.766 1.00 21.50 C
ATOM 128 O GLY A 16 -7.530 52.808 29.594 1.00 23.96 O
ATOM 129 N ARG A 17 -6.855 50.658 29.604 1.00 19.16 N
ATOM 130 CA ARG A 17 -5.457 50.942 29.274 1.00 13.62 C
ATOM 131 C ARG A 17 -4.917 50.193 28.055 1.00 14.52 C
ATOM 132 O ARG A 17 -3.760 49.781 28.013 1.00 17.35 O
ATOM 133 CB ARG A 17 -4.584 50.696 30.495 1.00 11.43 C
ATOM 134 CG ARG A 17 -5.130 51.378 31.721 1.00 14.86 C
ATOM 135 CD ARG A 17 -4.159 51.323 32.833 1.00 20.61 C
ATOM 136 NE ARG A 17 -4.115 50.014 33.458 1.00 30.62 N
ATOM 137 CZ ARG A 17 -3.008 49.292 33.581 1.00 34.59 C
ATOM 138 NH1 ARG A 17 -1.853 49.749 33.103 1.00 31.90 N
ATOM 139 NH2 ARG A 17 -3.050 48.139 34.230 1.00 32.06 N
ATOM 140 N GLY A 18 -5.749 50.057 27.034 1.00 15.33 N
ATOM 141 CA GLY A 18 -5.311 49.397 25.822 1.00 13.62 C
ATOM 142 C GLY A 18 -5.634 47.915 25.767 1.00 16.25 C
ATOM 143 O GLY A 18 -6.273 47.330 26.646 1.00 17.33 O
ATOM 144 N GLU A 19 -5.146 47.296 24.714 1.00 19.31 N
ATOM 145 CA GLU A 19 -5.363 45.887 24.498 1.00 21.26 C
ATOM 146 C GLU A 19 -4.497 45.060 25.425 1.00 17.06 C
ATOM 147 O GLU A 19 -3.506 45.567 25.970 1.00 15.74 O
ATOM 148 CB GLU A 19 -5.078 45.561 23.031 1.00 27.30 C
ATOM 149 CG GLU A 19 -6.115 46.154 22.098 1.00 36.29 C
ATOM 150 CD GLU A 19 -7.482 45.546 22.336 1.00 48.40 C
ATOM 151 OE1 GLU A 19 -7.737 44.460 21.764 1.00 57.33 O
ATOM 152 OE2 GLU A 19 -8.277 46.116 23.123 1.00 51.93 O
ATOM 153 N PRO A 20 -4.882 43.786 25.649 1.00 14.88 N
ATOM 154 CA PRO A 20 -4.096 42.925 26.528 1.00 11.94 C
ATOM 155 C PRO A 20 -2.644 42.774 26.087 1.00 10.09 C
ATOM 156 O PRO A 20 -2.344 42.617 24.907 1.00 10.88 O
ATOM 157 CB PRO A 20 -4.851 41.600 26.457 1.00 15.19 C
ATOM 158 CG PRO A 20 -6.287 42.051 26.330 1.00 11.15 C
ATOM 159 CD PRO A 20 -6.137 43.106 25.254 1.00 11.28 C
ATOM 160 N ARG A 21 -1.751 42.858 27.060 1.00 6.42 N
ATOM 161 CA ARG A 21 -0.335 42.701 26.844 1.00 8.80 C
ATOM 162 C ARG A 21 0.039 41.201 26.708 1.00 13.50 C
ATOM 163 O ARG A 21 -0.521 40.362 27.432 1.00 12.13 O
ATOM 164 CB ARG A 21 0.377 43.251 28.056 1.00 8.01 C
ATOM 165 CG ARG A 21 1.850 43.198 27.886 1.00 15.12 C
ATOM 166 CD ARG A 21 2.475 43.849 29.046 1.00 24.15 C
ATOM 167 NE ARG A 21 3.783 44.372 28.716 1.00 31.22 N
ATOM 168 CZ ARG A 21 4.738 44.532 29.617 1.00 39.24 C
ATOM 169 NH1 ARG A 21 4.507 44.190 30.880 1.00 43.73 N
ATOM 170 NH2 ARG A 21 5.898 45.069 29.268 1.00 42.02 N
ATOM 171 N PHE A 22 0.975 40.866 25.806 1.00 12.02 N
ATOM 172 CA PHE A 22 1.429 39.481 25.624 1.00 10.64 C
ATOM 173 C PHE A 22 2.937 39.466 25.694 1.00 12.15 C
ATOM 174 O PHE A 22 3.579 40.220 24.964 1.00 12.15 O
ATOM 175 CB PHE A 22 1.003 38.886 24.274 1.00 11.38 C
ATOM 176 CG PHE A 22 1.550 37.486 24.016 1.00 9.23 C
ATOM 177 CD1 PHE A 22 0.940 36.366 24.568 1.00 8.22 C
ATOM 178 CD2 PHE A 22 2.682 37.297 23.217 1.00 10.02 C
ATOM 179 CE1 PHE A 22 1.449 35.071 24.329 1.00 12.08 C
ATOM 180 CE2 PHE A 22 3.203 36.010 22.971 1.00 9.87 C
ATOM 181 CZ PHE A 22 2.588 34.897 23.525 1.00 9.38 C
ATOM 182 N ILE A 23 3.484 38.661 26.607 1.00 11.54 N
ATOM 183 CA ILE A 23 4.927 38.515 26.784 1.00 13.01 C
ATOM 184 C ILE A 23 5.267 37.034 26.582 1.00 13.25 C
ATOM 185 O ILE A 23 4.587 36.168 27.110 1.00 11.91 O
ATOM 186 CB ILE A 23 5.413 38.777 28.253 1.00 17.27 C
ATOM 187 CG1 ILE A 23 4.867 40.073 28.861 1.00 21.66 C
ATOM 188 CG2 ILE A 23 6.916 38.817 28.280 1.00 9.61 C
ATOM 189 CD1 ILE A 23 5.621 41.311 28.456 1.00 29.72 C
ATOM 190 N ALA A 24 6.340 36.747 25.867 1.00 10.13 N
ATOM 191 CA ALA A 24 6.789 35.385 25.706 1.00 12.21 C
ATOM 192 C ALA A 24 8.307 35.352 26.021 1.00 15.25 C
ATOM 193 O ALA A 24 9.019 36.294 25.672 1.00 14.09 O
ATOM 194 CB ALA A 24 6.527 34.922 24.298 1.00 11.95 C
ATOM 195 N VAL A 25 8.767 34.364 26.794 1.00 13.62 N
ATOM 196 CA VAL A 25 10.205 34.189 27.074 1.00 14.17 C
ATOM 197 C VAL A 25 10.585 32.724 26.856 1.00 14.33 C
ATOM 198 O VAL A 25 9.764 31.840 27.052 1.00 14.90 O
ATOM 199 CB VAL A 25 10.667 34.636 28.510 1.00 12.05 C
ATOM 200 CG1 VAL A 25 10.502 36.132 28.671 1.00 9.64 C
ATOM 201 CG2 VAL A 25 9.939 33.877 29.603 1.00 13.27 C
ATOM 202 N GLY A 26 11.802 32.474 26.389 1.00 15.61 N
ATOM 203 CA GLY A 26 12.253 31.109 26.171 1.00 13.72 C
ATOM 204 C GLY A 26 13.504 30.833 26.991 1.00 14.41 C
ATOM 205 O GLY A 26 14.337 31.733 27.177 1.00 13.78 O
ATOM 206 N TYR A 27 13.611 29.613 27.518 1.00 13.65 N
ATOM 207 CA TYR A 27 14.761 29.152 28.304 1.00 9.58 C
ATOM 208 C TYR A 27 15.266 27.794 27.825 1.00 13.20 C
ATOM 209 O TYR A 27 14.518 26.982 27.265 1.00 12.55 O
ATOM 210 CB TYR A 27 14.378 28.897 29.753 1.00 4.69 C
ATOM 211 CG TYR A 27 14.193 30.104 30.609 1.00 10.04 C
ATOM 212 CD1 TYR A 27 13.114 30.954 30.410 1.00 13.61 C
ATOM 213 CD2 TYR A 27 15.121 30.422 31.603 1.00 10.97 C
ATOM 214 CE1 TYR A 27 12.961 32.101 31.166 1.00 14.09 C
ATOM 215 CE2 TYR A 27 14.982 31.558 32.371 1.00 14.81 C
ATOM 216 CZ TYR A 27 13.896 32.400 32.141 1.00 16.84 C
ATOM 217 OH TYR A 27 13.739 33.556 32.865 1.00 20.30 O
ATOM 218 N VAL A 28 16.555 27.577 28.032 1.00 13.03 N
ATOM 219 CA VAL A 28 17.197 26.298 27.802 1.00 11.02 C
ATOM 220 C VAL A 28 17.771 26.167 29.229 1.00 13.27 C
ATOM 221 O VAL A 28 18.538 27.027 29.681 1.00 15.34 O
ATOM 222 CB VAL A 28 18.275 26.368 26.726 1.00 10.51 C
ATOM 223 CG1 VAL A 28 19.169 25.130 26.784 1.00 9.43 C
ATOM 224 CG2 VAL A 28 17.607 26.409 25.386 1.00 9.54 C
ATOM 225 N ASP A 29 17.254 25.213 29.997 1.00 9.18 N
ATOM 226 CA ASP A 29 17.677 25.021 31.383 1.00 11.03 C
ATOM 227 C ASP A 29 17.421 26.313 32.132 1.00 13.21 C
ATOM 228 O ASP A 29 16.308 26.796 32.099 1.00 14.77 O
ATOM 229 CB ASP A 29 19.155 24.584 31.485 1.00 14.34 C
ATOM 230 CG ASP A 29 19.427 23.295 30.746 1.00 15.62 C
ATOM 231 OD1 ASP A 29 18.507 22.457 30.672 1.00 24.03 O
ATOM 232 OD2 ASP A 29 20.532 23.127 30.204 1.00 18.69 O
ATOM 233 N ASP A 30 18.436 26.893 32.773 1.00 14.15 N
ATOM 234 CA ASP A 30 18.268 28.124 33.529 1.00 12.09 C
ATOM 235 C ASP A 30 18.774 29.350 32.795 1.00 13.49 C
ATOM 236 O ASP A 30 19.084 30.358 33.421 1.00 14.14 O
ATOM 237 CB ASP A 30 18.977 28.006 34.870 1.00 10.20 C
ATOM 238 CG ASP A 30 18.387 26.930 35.732 1.00 13.55 C
ATOM 239 OD1 ASP A 30 17.152 26.826 35.795 1.00 22.47 O
ATOM 240 OD2 ASP A 30 19.139 26.158 36.344 1.00 13.95 O
ATOM 241 N THR A 31 18.842 29.267 31.471 1.00 12.21 N
ATOM 242 CA THR A 31 19.328 30.368 30.651 1.00 12.84 C
ATOM 243 C THR A 31 18.263 30.905 29.694 1.00 13.45 C
ATOM 244 O THR A 31 17.815 30.183 28.824 1.00 16.06 O
ATOM 245 CB THR A 31 20.528 29.904 29.799 1.00 12.65 C
ATOM 246 OG1 THR A 31 21.558 29.422 30.664 1.00 19.13 O
ATOM 247 CG2 THR A 31 21.081 31.050 28.959 1.00 8.26 C
ATOM 248 N GLN A 32 17.859 32.165 29.861 1.00 17.03 N
ATOM 249 CA GLN A 32 16.867 32.785 28.973 1.00 12.54 C
ATOM 250 C GLN A 32 17.544 33.075 27.630 1.00 15.42 C
ATOM 251 O GLN A 32 18.699 33.522 27.601 1.00 14.96 O
ATOM 252 CB GLN A 32 16.371 34.098 29.555 1.00 13.54 C
ATOM 253 CG GLN A 32 15.109 34.586 28.877 1.00 13.79 C
ATOM 254 CD GLN A 32 14.823 36.058 29.116 1.00 16.95 C
ATOM 255 OE1 GLN A 32 15.216 36.640 30.132 1.00 20.73 O
ATOM 256 NE2 GLN A 32 14.123 36.670 28.170 1.00 18.22 N
ATOM 257 N PHE A 33 16.875 32.801 26.513 1.00 11.68 N
ATOM 258 CA PHE A 33 17.521 33.069 25.240 1.00 11.34 C
ATOM 259 C PHE A 33 16.732 33.947 24.263 1.00 13.43 C
ATOM 260 O PHE A 33 17.295 34.413 23.270 1.00 17.04 O
ATOM 261 CB PHE A 33 18.025 31.762 24.586 1.00 11.75 C
ATOM 262 CG PHE A 33 16.937 30.861 24.063 1.00 10.50 C
ATOM 263 CD1 PHE A 33 16.230 30.020 24.927 1.00 10.74 C
ATOM 264 CD2 PHE A 33 16.631 30.842 22.701 1.00 8.99 C
ATOM 265 CE1 PHE A 33 15.225 29.168 24.436 1.00 7.73 C
ATOM 266 CE2 PHE A 33 15.637 30.004 22.198 1.00 10.77 C
ATOM 267 CZ PHE A 33 14.929 29.164 23.073 1.00 7.21 C
ATOM 268 N VAL A 34 15.432 34.125 24.498 1.00 11.32 N
ATOM 269 CA VAL A 34 14.599 34.995 23.646 1.00 14.23 C
ATOM 270 C VAL A 34 13.560 35.733 24.470 1.00 13.15 C
ATOM 271 O VAL A 34 13.253 35.353 25.602 1.00 8.97 O
ATOM 272 CB VAL A 34 13.859 34.280 22.467 1.00 14.50 C
ATOM 273 CG1 VAL A 34 14.804 34.055 21.324 1.00 17.36 C
ATOM 274 CG2 VAL A 34 13.224 32.978 22.922 1.00 14.65 C
ATOM 275 N ARG A 35 13.030 36.797 23.891 1.00 14.65 N
ATOM 276 CA ARG A 35 12.032 37.611 24.554 1.00 16.05 C
ATOM 277 C ARG A 35 11.163 38.273 23.510 1.00 15.42 C
ATOM 278 O ARG A 35 11.621 38.563 22.396 1.00 14.35 O
ATOM 279 CB ARG A 35 12.721 38.694 25.363 1.00 25.55 C
ATOM 280 CG ARG A 35 11.803 39.793 25.808 1.00 40.91 C
ATOM 281 CD ARG A 35 12.483 41.141 25.726 1.00 49.37 C
ATOM 282 NE ARG A 35 11.504 42.197 25.963 1.00 61.34 N
ATOM 283 CZ ARG A 35 11.796 43.489 26.038 1.00 66.65 C
ATOM 284 NH1 ARG A 35 13.058 43.887 25.893 1.00 69.34 N
ATOM 285 NH2 ARG A 35 10.827 44.380 26.269 1.00 66.56 N
ATOM 286 N PHE A 36 9.895 38.454 23.856 1.00 16.99 N
ATOM 287 CA PHE A 36 8.945 39.127 22.989 1.00 14.31 C
ATOM 288 C PHE A 36 7.958 39.836 23.899 1.00 15.51 C
ATOM 289 O PHE A 36 7.490 39.266 24.883 1.00 14.56 O
ATOM 290 CB PHE A 36 8.216 38.164 22.077 1.00 14.59 C
ATOM 291 CG PHE A 36 7.216 38.843 21.202 1.00 16.22 C
ATOM 292 CD1 PHE A 36 5.929 39.110 21.672 1.00 21.61 C
ATOM 293 CD2 PHE A 36 7.566 39.277 19.940 1.00 19.34 C
ATOM 294 CE1 PHE A 36 4.992 39.811 20.881 1.00 19.57 C
ATOM 295 CE2 PHE A 36 6.658 39.973 19.149 1.00 19.91 C
ATOM 296 CZ PHE A 36 5.368 40.241 19.618 1.00 18.72 C
ATOM 297 N ASP A 37 7.644 41.084 23.577 1.00 14.64 N
ATOM 298 CA ASP A 37 6.732 41.878 24.397 1.00 14.19 C
ATOM 299 C ASP A 37 5.937 42.753 23.442 1.00 14.93 C
ATOM 300 O ASP A 37 6.504 43.637 22.776 1.00 14.07 O
ATOM 301 CB ASP A 37 7.568 42.728 25.354 1.00 15.49 C
ATOM 302 CG ASP A 37 6.750 43.575 26.302 1.00 18.61 C
ATOM 303 OD1 ASP A 37 5.538 43.759 26.094 1.00 20.06 O
ATOM 304 OD2 ASP A 37 7.357 44.075 27.265 1.00 21.43 O
ATOM 305 N SER A 38 4.625 42.519 23.379 1.00 16.08 N
ATOM 306 CA SER A 38 3.761 43.289 22.487 1.00 15.22 C
ATOM 307 C SER A 38 3.704 44.785 22.822 1.00 17.73 C
ATOM 308 O SER A 38 3.191 45.561 22.036 1.00 19.82 O
ATOM 309 CB SER A 38 2.349 42.709 22.451 1.00 12.39 C
ATOM 310 OG SER A 38 1.726 42.761 23.729 1.00 11.89 O
ATOM 311 N ASP A 39 4.234 45.176 23.975 1.00 21.81 N
ATOM 312 CA ASP A 39 4.240 46.572 24.407 1.00 26.08 C
ATOM 313 C ASP A 39 5.480 47.324 23.979 1.00 32.17 C
ATOM 314 O ASP A 39 5.614 48.512 24.255 1.00 34.95 O
ATOM 315 CB ASP A 39 4.145 46.661 25.921 1.00 24.84 C
ATOM 316 CG ASP A 39 2.747 46.926 26.398 1.00 23.45 C
ATOM 317 OD1 ASP A 39 1.798 46.814 25.594 1.00 22.88 O
ATOM 318 OD2 ASP A 39 2.611 47.263 27.587 1.00 20.89 O
ATOM 319 N ALA A 40 6.423 46.611 23.385 1.00 37.64 N
ATOM 320 CA ALA A 40 7.655 47.228 22.927 1.00 40.99 C
ATOM 321 C ALA A 40 7.317 48.057 21.694 1.00 42.85 C
ATOM 322 O ALA A 40 6.475 47.646 20.884 1.00 39.45 O
ATOM 323 CB ALA A 40 8.679 46.148 22.580 1.00 36.98 C
ATOM 324 N ALA A 41 7.889 49.260 21.610 1.00 49.11 N
ATOM 325 CA ALA A 41 7.676 50.139 20.450 1.00 54.51 C
ATOM 326 C ALA A 41 8.330 49.337 19.317 1.00 56.67 C
ATOM 327 O ALA A 41 9.528 49.050 19.385 1.00 59.59 O
ATOM 328 CB ALA A 41 8.387 51.480 20.665 1.00 54.53 C
ATOM 329 N SER A 42 7.542 48.941 18.317 1.00 56.62 N
ATOM 330 CA SER A 42 8.026 48.076 17.225 1.00 55.74 C
ATOM 331 C SER A 42 8.412 46.719 17.874 1.00 53.76 C
ATOM 332 O SER A 42 9.580 46.485 18.214 1.00 53.00 O
ATOM 333 CB SER A 42 9.231 48.690 16.500 1.00 55.08 C
ATOM 334 OG SER A 42 9.620 47.876 15.399 1.00 57.29 O
ATOM 335 N PRO A 43 7.412 45.844 18.123 1.00 51.08 N
ATOM 336 CA PRO A 43 7.637 44.532 18.739 1.00 48.02 C
ATOM 337 C PRO A 43 8.302 43.527 17.816 1.00 45.51 C
ATOM 338 O PRO A 43 7.791 43.219 16.726 1.00 45.38 O
ATOM 339 CB PRO A 43 6.227 44.094 19.122 1.00 45.88 C
ATOM 340 CG PRO A 43 5.405 44.663 18.039 1.00 50.35 C
ATOM 341 CD PRO A 43 5.974 46.061 17.890 1.00 51.63 C
ATOM 342 N ARG A 44 9.454 43.036 18.265 1.00 42.30 N
ATOM 343 CA ARG A 44 10.243 42.053 17.531 1.00 41.89 C
ATOM 344 C ARG A 44 10.701 41.088 18.601 1.00 37.05 C
ATOM 345 O ARG A 44 10.801 41.460 19.774 1.00 34.28 O
ATOM 346 CB ARG A 44 11.541 42.665 16.964 1.00 47.25 C
ATOM 347 CG ARG A 44 11.481 44.040 16.315 1.00 61.98 C
ATOM 348 CD ARG A 44 11.245 43.970 14.797 1.00 74.22 C
ATOM 349 NE ARG A 44 12.112 43.004 14.105 1.00 84.24 N
ATOM 350 CZ ARG A 44 13.449 42.996 14.130 1.00 88.87 C
ATOM 351 NH1 ARG A 44 14.133 43.909 14.822 1.00 90.67 N
ATOM 352 NH2 ARG A 44 14.108 42.059 13.449 1.00 90.99 N
ATOM 353 N THR A 45 11.033 39.869 18.205 1.00 31.75 N
ATOM 354 CA THR A 45 11.563 38.936 19.178 1.00 28.11 C
ATOM 355 C THR A 45 13.071 39.223 19.253 1.00 24.14 C
ATOM 356 O THR A 45 13.726 39.374 18.236 1.00 23.22 O
ATOM 357 CB THR A 45 11.206 37.462 18.845 1.00 25.95 C
ATOM 358 OG1 THR A 45 12.305 36.596 19.142 1.00 29.41 O
ATOM 359 CG2 THR A 45 10.824 37.310 17.448 1.00 21.95 C
ATOM 360 N GLU A 46 13.579 39.398 20.466 1.00 21.32 N
ATOM 361 CA GLU A 46 14.982 39.707 20.695 1.00 23.73 C
ATOM 362 C GLU A 46 15.825 38.601 21.314 1.00 23.55 C
ATOM 363 O GLU A 46 15.328 37.782 22.100 1.00 23.02 O
ATOM 364 CB GLU A 46 15.091 40.883 21.648 1.00 26.73 C
ATOM 365 CG GLU A 46 14.482 42.152 21.154 1.00 35.10 C
ATOM 366 CD GLU A 46 14.278 43.151 22.266 1.00 38.15 C
ATOM 367 OE1 GLU A 46 14.644 42.877 23.439 1.00 45.68 O
ATOM 368 OE2 GLU A 46 13.737 44.227 21.963 1.00 44.03 O
ATOM 369 N PRO A 47 17.138 38.599 21.005 1.00 24.00 N
ATOM 370 CA PRO A 47 18.057 37.595 21.548 1.00 22.08 C
ATOM 371 C PRO A 47 18.460 38.023 22.941 1.00 20.85 C
ATOM 372 O PRO A 47 18.576 39.214 23.216 1.00 21.47 O
ATOM 373 CB PRO A 47 19.238 37.655 20.581 1.00 20.09 C
ATOM 374 CG PRO A 47 19.250 39.087 20.167 1.00 22.72 C
ATOM 375 CD PRO A 47 17.789 39.379 19.932 1.00 21.90 C
ATOM 376 N ARG A 48 18.604 37.049 23.830 1.00 20.64 N
ATOM 377 CA ARG A 48 19.006 37.287 25.216 1.00 20.46 C
ATOM 378 C ARG A 48 20.314 36.626 25.732 1.00 23.49 C
ATOM 379 O ARG A 48 20.603 36.673 26.927 1.00 23.72 O
ATOM 380 CB ARG A 48 17.817 37.046 26.146 1.00 21.75 C
ATOM 381 CG ARG A 48 16.834 38.217 26.182 1.00 27.34 C
ATOM 382 CD ARG A 48 17.276 39.230 27.245 1.00 37.46 C
ATOM 383 NE ARG A 48 16.381 40.374 27.339 1.00 42.73 N
ATOM 384 CZ ARG A 48 16.216 41.268 26.368 1.00 50.90 C
ATOM 385 NH1 ARG A 48 16.907 41.145 25.236 1.00 55.28 N
ATOM 386 NH2 ARG A 48 15.308 42.242 26.496 1.00 51.27 N
ATOM 387 N PRO A 49 20.976 35.806 24.898 1.00 29.59 N
ATOM 388 CA PRO A 49 22.245 35.104 25.124 1.00 32.23 C
ATOM 389 C PRO A 49 22.970 35.100 23.760 1.00 29.49 C
ATOM 390 O PRO A 49 22.347 35.013 22.677 1.00 26.45 O
ATOM 391 CB PRO A 49 21.792 33.717 25.542 1.00 33.78 C
ATOM 392 CG PRO A 49 20.771 33.452 24.551 1.00 42.69 C
ATOM 393 CD PRO A 49 20.074 34.838 24.260 1.00 42.75 C
ATOM 394 N PRO A 50 24.296 35.211 23.794 1.00 28.10 N
ATOM 395 CA PRO A 50 25.117 35.243 22.577 1.00 26.12 C
ATOM 396 C PRO A 50 24.943 34.142 21.548 1.00 24.88 C
ATOM 397 O PRO A 50 24.870 34.421 20.364 1.00 27.05 O
ATOM 398 CB PRO A 50 26.537 35.315 23.123 1.00 27.46 C
ATOM 399 CG PRO A 50 26.399 34.726 24.547 1.00 31.34 C
ATOM 400 CD PRO A 50 25.114 35.300 25.011 1.00 26.82 C
ATOM 401 N TRP A 51 24.823 32.897 21.988 1.00 26.17 N
ATOM 402 CA TRP A 51 24.695 31.768 21.065 1.00 23.25 C
ATOM 403 C TRP A 51 23.467 31.710 20.157 1.00 25.94 C
ATOM 404 O TRP A 51 23.451 30.926 19.207 1.00 26.44 O
ATOM 405 CB TRP A 51 24.847 30.458 21.833 1.00 22.07 C
ATOM 406 CG TRP A 51 23.950 30.343 23.059 1.00 18.66 C
ATOM 407 CD1 TRP A 51 24.296 30.577 24.361 1.00 15.65 C
ATOM 408 CD2 TRP A 51 22.584 29.922 23.078 1.00 14.52 C
ATOM 409 NE1 TRP A 51 23.236 30.316 25.190 1.00 16.68 N
ATOM 410 CE2 TRP A 51 22.169 29.913 24.430 1.00 18.46 C
ATOM 411 CE3 TRP A 51 21.670 29.546 22.083 1.00 14.13 C
ATOM 412 CZ2 TRP A 51 20.868 29.539 24.817 1.00 17.33 C
ATOM 413 CZ3 TRP A 51 20.376 29.172 22.460 1.00 14.45 C
ATOM 414 CH2 TRP A 51 19.991 29.170 23.816 1.00 18.89 C
ATOM 415 N ILE A 52 22.432 32.503 20.448 1.00 26.83 N
ATOM 416 CA ILE A 52 21.230 32.509 19.604 1.00 23.36 C
ATOM 417 C ILE A 52 21.356 33.562 18.491 1.00 24.81 C
ATOM 418 O ILE A 52 20.722 33.456 17.437 1.00 21.18 O
ATOM 419 CB ILE A 52 19.919 32.724 20.442 1.00 22.27 C
ATOM 420 CG1 ILE A 52 18.690 32.318 19.629 1.00 17.30 C
ATOM 421 CG2 ILE A 52 19.761 34.160 20.884 1.00 16.78 C
ATOM 422 CD1 ILE A 52 18.627 30.827 19.359 1.00 17.06 C
ATOM 423 N GLU A 53 22.248 34.527 18.690 1.00 28.51 N
ATOM 424 CA GLU A 53 22.462 35.584 17.708 1.00 35.79 C
ATOM 425 C GLU A 53 22.988 35.092 16.365 1.00 39.38 C
ATOM 426 O GLU A 53 22.806 35.750 15.339 1.00 44.36 O
ATOM 427 CB GLU A 53 23.381 36.655 18.274 1.00 36.14 C
ATOM 428 CG GLU A 53 22.715 37.499 19.344 1.00 45.94 C
ATOM 429 CD GLU A 53 23.708 38.330 20.124 1.00 51.78 C
ATOM 430 OE1 GLU A 53 24.658 38.838 19.489 1.00 54.07 O
ATOM 431 OE2 GLU A 53 23.544 38.473 21.363 1.00 52.41 O
ATOM 432 N GLN A 54 23.610 33.921 16.357 1.00 41.57 N
ATOM 433 CA GLN A 54 24.130 33.390 15.110 1.00 43.95 C
ATOM 434 C GLN A 54 23.004 32.942 14.184 1.00 45.40 C
ATOM 435 O GLN A 54 23.254 32.609 13.021 1.00 48.33 O
ATOM 436 CB GLN A 54 25.118 32.243 15.363 1.00 46.60 C
ATOM 437 CG GLN A 54 24.490 30.935 15.774 1.00 49.67 C
ATOM 438 CD GLN A 54 25.516 29.833 15.917 1.00 54.46 C
ATOM 439 OE1 GLN A 54 25.701 29.012 15.013 1.00 56.68 O
ATOM 440 NE2 GLN A 54 26.192 29.804 17.057 1.00 54.83 N
ATOM 441 N GLU A 55 21.773 32.911 14.698 1.00 42.79 N
ATOM 442 CA GLU A 55 20.632 32.507 13.882 1.00 39.89 C
ATOM 443 C GLU A 55 20.342 33.612 12.856 1.00 40.74 C
ATOM 444 O GLU A 55 20.443 34.814 13.147 1.00 38.88 O
ATOM 445 CB GLU A 55 19.394 32.193 14.744 1.00 37.84 C
ATOM 446 CG GLU A 55 19.531 30.999 15.729 1.00 36.63 C
ATOM 447 CD GLU A 55 19.681 29.623 15.059 1.00 36.15 C
ATOM 448 OE1 GLU A 55 19.415 29.490 13.844 1.00 36.46 O
ATOM 449 OE2 GLU A 55 20.049 28.652 15.761 1.00 37.33 O
ATOM 450 N GLY A 56 20.006 33.189 11.645 1.00 39.83 N
ATOM 451 CA GLY A 56 19.743 34.130 10.575 1.00 43.86 C
ATOM 452 C GLY A 56 18.483 34.970 10.638 1.00 45.61 C
ATOM 453 O GLY A 56 17.583 34.704 11.437 1.00 46.29 O
ATOM 454 N PRO A 57 18.360 35.952 9.728 1.00 45.76 N
ATOM 455 CA PRO A 57 17.207 36.852 9.651 1.00 43.25 C
ATOM 456 C PRO A 57 15.855 36.121 9.604 1.00 40.98 C
ATOM 457 O PRO A 57 14.904 36.563 10.241 1.00 38.58 O
ATOM 458 CB PRO A 57 17.477 37.629 8.358 1.00 46.12 C
ATOM 459 CG PRO A 57 18.981 37.659 8.278 1.00 45.52 C
ATOM 460 CD PRO A 57 19.329 36.244 8.650 1.00 45.56 C
ATOM 461 N GLU A 58 15.768 35.006 8.875 1.00 39.78 N
ATOM 462 CA GLU A 58 14.509 34.261 8.786 1.00 42.15 C
ATOM 463 C GLU A 58 14.066 33.598 10.104 1.00 39.91 C
ATOM 464 O GLU A 58 12.874 33.382 10.323 1.00 42.27 O
ATOM 465 CB GLU A 58 14.504 33.258 7.619 1.00 45.91 C
ATOM 466 CG GLU A 58 15.263 31.943 7.841 1.00 61.35 C
ATOM 467 CD GLU A 58 16.798 32.061 7.697 1.00 69.32 C
ATOM 468 OE1 GLU A 58 17.290 33.072 7.121 1.00 71.87 O
ATOM 469 OE2 GLU A 58 17.505 31.122 8.156 1.00 69.63 O
ATOM 470 N TYR A 59 15.007 33.285 10.988 1.00 34.82 N
ATOM 471 CA TYR A 59 14.654 32.708 12.278 1.00 31.31 C
ATOM 472 C TYR A 59 13.934 33.810 13.080 1.00 31.67 C
ATOM 473 O TYR A 59 12.886 33.570 13.697 1.00 32.75 O
ATOM 474 CB TYR A 59 15.912 32.244 13.024 1.00 25.16 C
ATOM 475 CG TYR A 59 15.682 31.778 14.453 1.00 22.40 C
ATOM 476 CD1 TYR A 59 15.705 32.682 15.523 1.00 16.53 C
ATOM 477 CD2 TYR A 59 15.490 30.432 14.742 1.00 15.66 C
ATOM 478 CE1 TYR A 59 15.548 32.248 16.847 1.00 14.31 C
ATOM 479 CE2 TYR A 59 15.338 29.996 16.062 1.00 18.52 C
ATOM 480 CZ TYR A 59 15.368 30.909 17.106 1.00 16.48 C
ATOM 481 OH TYR A 59 15.222 30.457 18.400 1.00 17.53 O
ATOM 482 N TRP A 60 14.481 35.023 13.052 1.00 28.97 N
ATOM 483 CA TRP A 60 13.877 36.132 13.775 1.00 28.30 C
ATOM 484 C TRP A 60 12.505 36.536 13.228 1.00 29.90 C
ATOM 485 O TRP A 60 11.567 36.804 13.998 1.00 31.07 O
ATOM 486 CB TRP A 60 14.850 37.303 13.843 1.00 24.63 C
ATOM 487 CG TRP A 60 16.095 36.896 14.527 1.00 26.52 C
ATOM 488 CD1 TRP A 60 17.295 36.614 13.937 1.00 27.66 C
ATOM 489 CD2 TRP A 60 16.246 36.565 15.922 1.00 28.99 C
ATOM 490 NE1 TRP A 60 18.178 36.108 14.867 1.00 26.55 N
ATOM 491 CE2 TRP A 60 17.563 36.064 16.095 1.00 26.81 C
ATOM 492 CE3 TRP A 60 15.393 36.628 17.040 1.00 26.21 C
ATOM 493 CZ2 TRP A 60 18.052 35.624 17.341 1.00 22.77 C
ATOM 494 CZ3 TRP A 60 15.881 36.185 18.286 1.00 28.88 C
ATOM 495 CH2 TRP A 60 17.201 35.690 18.417 1.00 26.75 C
ATOM 496 N ASP A 61 12.359 36.532 11.910 1.00 30.54 N
ATOM 497 CA ASP A 61 11.076 36.873 11.313 1.00 31.59 C
ATOM 498 C ASP A 61 10.041 35.813 11.651 1.00 27.71 C
ATOM 499 O ASP A 61 8.938 36.144 12.084 1.00 28.03 O
ATOM 500 CB ASP A 61 11.191 37.071 9.790 1.00 39.51 C
ATOM 501 CG ASP A 61 11.809 38.426 9.416 1.00 49.11 C
ATOM 502 OD1 ASP A 61 12.414 39.088 10.305 1.00 50.08 O
ATOM 503 OD2 ASP A 61 11.681 38.834 8.231 1.00 55.19 O
ATOM 504 N ARG A 62 10.413 34.541 11.517 1.00 24.83 N
ATOM 505 CA ARG A 62 9.486 33.454 11.819 1.00 27.70 C
ATOM 506 C ARG A 62 9.067 33.477 13.296 1.00 26.09 C
ATOM 507 O ARG A 62 7.897 33.261 13.633 1.00 27.54 O
ATOM 508 CB ARG A 62 10.083 32.095 11.441 1.00 30.47 C
ATOM 509 CG ARG A 62 9.048 30.979 11.437 1.00 40.70 C
ATOM 510 CD ARG A 62 8.051 31.208 10.309 1.00 50.55 C
ATOM 511 NE ARG A 62 6.701 30.730 10.608 1.00 55.98 N
ATOM 512 CZ ARG A 62 6.342 29.450 10.673 1.00 60.59 C
ATOM 513 NH1 ARG A 62 7.237 28.486 10.481 1.00 61.23 N
ATOM 514 NH2 ARG A 62 5.064 29.134 10.863 1.00 62.94 N
ATOM 515 N ASN A 63 10.009 33.794 14.178 1.00 23.29 N
ATOM 516 CA ASN A 63 9.682 33.862 15.585 1.00 21.54 C
ATOM 517 C ASN A 63 8.687 34.989 15.809 1.00 23.55 C
ATOM 518 O ASN A 63 7.636 34.782 16.422 1.00 23.64 O
ATOM 519 CB ASN A 63 10.938 34.060 16.445 1.00 20.13 C
ATOM 520 CG ASN A 63 11.462 32.756 17.008 1.00 20.53 C
ATOM 521 OD1 ASN A 63 11.243 32.440 18.164 1.00 22.05 O
ATOM 522 ND2 ASN A 63 12.136 31.983 16.182 1.00 17.41 N
ATOM 523 N THR A 64 8.983 36.160 15.244 1.00 24.31 N
ATOM 524 CA THR A 64 8.116 37.323 15.400 1.00 21.94 C
ATOM 525 C THR A 64 6.673 37.093 14.923 1.00 23.06 C
ATOM 526 O THR A 64 5.741 37.482 15.630 1.00 20.85 O
ATOM 527 CB THR A 64 8.748 38.603 14.762 1.00 20.49 C
ATOM 528 OG1 THR A 64 10.016 38.855 15.372 1.00 19.17 O
ATOM 529 CG2 THR A 64 7.894 39.833 15.031 1.00 18.77 C
ATOM 530 N GLN A 65 6.469 36.402 13.794 1.00 22.02 N
ATOM 531 CA GLN A 65 5.100 36.193 13.324 1.00 24.91 C
ATOM 532 C GLN A 65 4.346 35.246 14.242 1.00 24.04 C
ATOM 533 O GLN A 65 3.144 35.417 14.475 1.00 24.73 O
ATOM 534 CB GLN A 65 5.020 35.737 11.857 1.00 29.62 C
ATOM 535 CG GLN A 65 5.658 34.398 11.579 1.00 48.10 C
ATOM 536 CD GLN A 65 5.195 33.765 10.270 1.00 56.36 C
ATOM 537 OE1 GLN A 65 4.654 32.651 10.265 1.00 60.41 O
ATOM 538 NE2 GLN A 65 5.433 34.453 9.154 1.00 60.16 N
ATOM 539 N ILE A 66 5.062 34.285 14.816 1.00 20.83 N
ATOM 540 CA ILE A 66 4.448 33.333 15.742 1.00 19.28 C
ATOM 541 C ILE A 66 3.963 34.056 17.016 1.00 17.97 C
ATOM 542 O ILE A 66 2.829 33.878 17.446 1.00 15.90 O
ATOM 543 CB ILE A 66 5.435 32.200 16.082 1.00 17.45 C
ATOM 544 CG1 ILE A 66 5.618 31.320 14.855 1.00 16.88 C
ATOM 545 CG2 ILE A 66 4.948 31.384 17.273 1.00 14.65 C
ATOM 546 CD1 ILE A 66 6.776 30.388 14.956 1.00 16.41 C
ATOM 547 N PHE A 67 4.809 34.913 17.581 1.00 17.96 N
ATOM 548 CA PHE A 67 4.459 35.660 18.777 1.00 15.88 C
ATOM 549 C PHE A 67 3.399 36.745 18.494 1.00 17.69 C
ATOM 550 O PHE A 67 2.576 37.050 19.357 1.00 16.94 O
ATOM 551 CB PHE A 67 5.720 36.234 19.407 1.00 14.45 C
ATOM 552 CG PHE A 67 6.673 35.189 19.911 1.00 15.94 C
ATOM 553 CD1 PHE A 67 6.194 34.065 20.603 1.00 16.13 C
ATOM 554 CD2 PHE A 67 8.052 35.337 19.737 1.00 13.80 C
ATOM 555 CE1 PHE A 67 7.084 33.100 21.119 1.00 15.65 C
ATOM 556 CE2 PHE A 67 8.943 34.388 20.249 1.00 15.70 C
ATOM 557 CZ PHE A 67 8.460 33.269 20.939 1.00 16.13 C
ATOM 558 N LYS A 68 3.403 37.320 17.291 1.00 20.62 N
ATOM 559 CA LYS A 68 2.386 38.319 16.908 1.00 22.44 C
ATOM 560 C LYS A 68 1.038 37.596 16.777 1.00 21.13 C
ATOM 561 O LYS A 68 0.001 38.099 17.249 1.00 19.60 O
ATOM 562 CB LYS A 68 2.726 38.992 15.572 1.00 24.18 C
ATOM 563 CG LYS A 68 3.589 40.248 15.683 1.00 33.78 C
ATOM 564 CD LYS A 68 3.865 40.834 14.290 1.00 42.91 C
ATOM 565 CE LYS A 68 4.433 42.265 14.343 1.00 48.42 C
ATOM 566 NZ LYS A 68 4.510 42.862 12.967 1.00 49.60 N
ATOM 567 N THR A 69 1.048 36.413 16.154 1.00 18.06 N
ATOM 568 CA THR A 69 -0.185 35.633 16.032 1.00 17.04 C
ATOM 569 C THR A 69 -0.679 35.243 17.462 1.00 17.38 C
ATOM 570 O THR A 69 -1.866 35.351 17.775 1.00 19.16 O
ATOM 571 CB THR A 69 0.011 34.358 15.161 1.00 16.36 C
ATOM 572 OG1 THR A 69 0.546 34.706 13.884 1.00 22.36 O
ATOM 573 CG2 THR A 69 -1.298 33.698 14.922 1.00 18.51 C
ATOM 574 N ASN A 70 0.248 34.861 18.344 1.00 15.76 N
ATOM 575 CA ASN A 70 -0.105 34.481 19.705 1.00 12.33 C
ATOM 576 C ASN A 70 -0.750 35.617 20.465 1.00 11.58 C
ATOM 577 O ASN A 70 -1.634 35.387 21.299 1.00 11.03 O
ATOM 578 CB ASN A 70 1.108 33.943 20.465 1.00 11.68 C
ATOM 579 CG ASN A 70 1.295 32.447 20.272 1.00 14.65 C
ATOM 580 OD1 ASN A 70 2.264 31.991 19.653 1.00 14.76 O
ATOM 581 ND2 ASN A 70 0.371 31.679 20.801 1.00 8.57 N
ATOM 582 N THR A 71 -0.304 36.842 20.196 1.00 12.35 N
ATOM 583 CA THR A 71 -0.869 38.024 20.862 1.00 12.61 C
ATOM 584 C THR A 71 -2.352 38.075 20.561 1.00 13.14 C
ATOM 585 O THR A 71 -3.177 38.152 21.468 1.00 15.46 O
ATOM 586 CB THR A 71 -0.213 39.295 20.355 1.00 12.79 C
ATOM 587 OG1 THR A 71 1.195 39.199 20.580 1.00 11.32 O
ATOM 588 CG2 THR A 71 -0.747 40.494 21.097 1.00 14.01 C
ATOM 589 N GLN A 72 -2.688 37.943 19.285 1.00 16.84 N
ATOM 590 CA GLN A 72 -4.083 37.925 18.868 1.00 21.79 C
ATOM 591 C GLN A 72 -4.859 36.774 19.518 1.00 21.01 C
ATOM 592 O GLN A 72 -5.910 36.991 20.126 1.00 22.64 O
ATOM 593 CB GLN A 72 -4.194 37.845 17.344 1.00 28.89 C
ATOM 594 CG GLN A 72 -4.116 39.205 16.679 1.00 43.94 C
ATOM 595 CD GLN A 72 -5.180 40.153 17.225 1.00 53.37 C
ATOM 596 OE1 GLN A 72 -4.884 41.316 17.540 1.00 57.71 O
ATOM 597 NE2 GLN A 72 -6.419 39.648 17.381 1.00 51.89 N
ATOM 598 N THR A 73 -4.323 35.566 19.426 1.00 16.46 N
ATOM 599 CA THR A 73 -4.963 34.399 20.001 1.00 16.49 C
ATOM 600 C THR A 73 -5.267 34.543 21.493 1.00 15.85 C
ATOM 601 O THR A 73 -6.387 34.276 21.937 1.00 14.75 O
ATOM 602 CB THR A 73 -4.080 33.172 19.782 1.00 17.25 C
ATOM 603 OG1 THR A 73 -3.817 33.054 18.379 1.00 25.29 O
ATOM 604 CG2 THR A 73 -4.740 31.892 20.307 1.00 16.51 C
ATOM 605 N TYR A 74 -4.299 35.019 22.261 1.00 14.20 N
ATOM 606 CA TYR A 74 -4.512 35.141 23.697 1.00 13.68 C
ATOM 607 C TYR A 74 -5.455 36.246 24.087 1.00 13.90 C
ATOM 608 O TYR A 74 -6.020 36.223 25.184 1.00 16.46 O
ATOM 609 CB TYR A 74 -3.183 35.198 24.458 1.00 12.61 C
ATOM 610 CG TYR A 74 -2.615 33.816 24.631 1.00 12.95 C
ATOM 611 CD1 TYR A 74 -3.075 33.001 25.656 1.00 13.08 C