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1udt_prot.pdb
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1udt_prot.pdb
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HEADER HYDROLASE 1UDT
TITLE 1UDT_P
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CGMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CATALYTIC DOMAIN;
COMPND 5 SYNONYM: PHOSPHODIESTERASE 5;
COMPND 6 EC: 3.1.4.17;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS CGMP-SPECIFIC PHOSPHODIESTERASE 5, SILDENAFIL, SELECTIVE INHIBITOR,
KEYWDS 2 HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR B.-J.SUNG,J.I.LEE,Y.-S.HEO,J.H.KIM,J.MOON,J.M.YOON,Y.-,L.HYUN,E.KIM,
AUTHOR 2 S.J.EUM,T.G.LEE,J.M.CHO,S.-Y.PARK,J.-O.LEE,Y.H.JEON,K.Y.HWANG,S.RO
REVDAT 2 1UDT 1 VERSN
REVDAT 1 1UDT 0
JRNL AUTH B.-J.SUNG,K.Y.HWANG,Y.H.JEON,J.I.LEE,Y.-S.HEO,J.H.KIM,
JRNL AUTH 2 J.MOON,J.M.YOON,Y.-L.HYUN,E.KIM,S.J.EUM,S.-Y.PARK,J.-O.LEE,
JRNL AUTH 3 T.G.LEE,S.RO,J.M.CHO
JRNL TITL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE
JRNL TITL 2 5 WITH BOUND DRUG MOLECULES
JRNL REF NATURE V. 425 98 2003
JRNL REFN ISSN 0028-0836
JRNL PMID 12955149
JRNL DOI 10.1038/NATURE01914
REMARK 2
REMARK 2 RESOLUTION. 2.30 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.88
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 317636.600
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 87.9
REMARK 3 NUMBER OF REFLECTIONS : 16818
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.193
REMARK 3 FREE R VALUE : 0.251
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900
REMARK 3 FREE R VALUE TEST SET COUNT : 823
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.30
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.44
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 61.60
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1835
REMARK 3 BIN R VALUE (WORKING SET) : 0.2620
REMARK 3 BIN FREE R VALUE : 0.2870
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 99
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.029
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 2542
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 35
REMARK 3 SOLVENT ATOMS : 78
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 27.10
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 39.70
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -3.25000
REMARK 3 B22 (A**2) : -5.52000
REMARK 3 B33 (A**2) : 8.77000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27
REMARK 3 ESD FROM SIGMAA (A) : 0.33
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.35
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.28
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.007
REMARK 3 BOND ANGLES (DEGREES) : 1.20
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.00
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.71
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : 3.530 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.980 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 5.820 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.510 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.37
REMARK 3 BSOL : 38.01
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 : PROTEIN_REP.PARAM
REMARK 3 PARAMETER FILE 2 : ION.PARAM
REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 4 : VIA.PARAM
REMARK 3 PARAMETER FILE 5 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : ION.TOP
REMARK 3 TOPOLOGY FILE 3 : WATER.TOP
REMARK 3 TOPOLOGY FILE 4 : VIA.TOP
REMARK 3 TOPOLOGY FILE 5 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UDT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-MAY-03.
REMARK 100 THE RCSB ID CODE IS RCSB005709.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 17-APR-03
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 7.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : PAL/PLS
REMARK 200 BEAMLINE : 6B
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16848
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300
REMARK 200 RESOLUTION RANGE LOW (A) : 19.880
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 86.7
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38
REMARK 200 COMPLETENESS FOR SHELL (%) : 48.1
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS
REMARK 200 SOFTWARE USED: CNS
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 56.18
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.83
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 8000, MAGNESIUM CHLORIDE, TRIS
REMARK 280 BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z+1/2
REMARK 290 3555 -X,Y,-Z+1/2
REMARK 290 4555 X,-Y,-Z
REMARK 290 5555 X+1/2,Y+1/2,Z
REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2
REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2
REMARK 290 8555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.94800
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.94800
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 30.06100
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 77.81600
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 30.06100
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 77.81600
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 44.94800
REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 30.06100
REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 77.81600
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 44.94800
REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 30.06100
REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 77.81600
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 ILE A 665
REMARK 465 GLN A 666
REMARK 465 ARG A 667
REMARK 465 SER A 668
REMARK 465 GLU A 669
REMARK 465 HIS A 670
REMARK 465 PRO A 671
REMARK 465 LEU A 672
REMARK 465 ALA A 673
REMARK 465 GLN A 674
REMARK 465 LEU A 675
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 PHE A 564 -36.59 -34.02
REMARK 500 LYS A 630 -71.61 -87.10
REMARK 500 ASN A 662 -154.82 -105.46
REMARK 500 SER A 663 -55.46 -128.18
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A1001 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS A 617 NE2
REMARK 620 2 HIS A 653 NE2 92.5
REMARK 620 3 HOH A 77 O 162.8 101.7
REMARK 620 4 ASP A 654 OD2 91.9 84.8 99.0
REMARK 620 5 ASP A 764 OD1 86.0 82.9 86.1 167.4
REMARK 620 6 HOH A 78 O 83.9 170.7 80.7 103.8 88.3
REMARK 620 N 1 2 3 4 5
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 MG A1002 MG
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HOH A 29 O
REMARK 620 2 HOH A 72 O 88.6
REMARK 620 3 HOH A 73 O 87.2 77.1
REMARK 620 4 HOH A 76 O 114.3 156.7 99.1
REMARK 620 5 HOH A 77 O 171.1 100.3 94.0 56.8
REMARK 620 6 ASP A 654 OD1 88.0 82.1 158.7 101.9 94.0
REMARK 620 N 1 2 3 4 5
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1001
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 1002
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE VIA A 1000
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1UDU RELATED DB: PDB
REMARK 900 THE SAME PROTEIN COMPLEXED WITH TADALAFIL(CIALIS)
SEQRES 1 A 326 THR ARG GLU LEU GLN SER LEU ALA ALA ALA VAL VAL PRO
SEQRES 2 A 326 SER ALA GLN THR LEU LYS ILE THR ASP PHE SER PHE SER
SEQRES 3 A 326 ASP PHE GLU LEU SER ASP LEU GLU THR ALA LEU CYS THR
SEQRES 4 A 326 ILE ARG MET PHE THR ASP LEU ASN LEU VAL GLN ASN PHE
SEQRES 5 A 326 GLN MET LYS HIS GLU VAL LEU CYS ARG TRP ILE LEU SER
SEQRES 6 A 326 VAL LYS LYS ASN TYR ARG LYS ASN VAL ALA TYR HIS ASN
SEQRES 7 A 326 TRP ARG HIS ALA PHE ASN THR ALA GLN CYS MET PHE ALA
SEQRES 8 A 326 ALA LEU LYS ALA GLY LYS ILE GLN ASN LYS LEU THR ASP
SEQRES 9 A 326 LEU GLU ILE LEU ALA LEU LEU ILE ALA ALA LEU SER HIS
SEQRES 10 A 326 ASP LEU ASP HIS ARG GLY VAL ASN ASN SER TYR NME ILE
SEQRES 11 A 326 GLN ARG SER GLU HIS PRO LEU ALA GLN LEU ACE TYR CYS
SEQRES 12 A 326 HIS SER ILE MET GLU HIS HIS HIS PHE ASP GLN CYS LEU
SEQRES 13 A 326 MET ILE LEU ASN SER PRO GLY ASN GLN ILE LEU SER GLY
SEQRES 14 A 326 LEU SER ILE GLU GLU TYR LYS THR THR LEU LYS ILE ILE
SEQRES 15 A 326 LYS GLN ALA ILE LEU ALA THR ASP LEU ALA LEU TYR ILE
SEQRES 16 A 326 LYS ARG ARG GLY GLU PHE PHE GLU LEU ILE ARG LYS ASN
SEQRES 17 A 326 GLN PHE ASN LEU GLU ASP PRO HIS GLN LYS GLU LEU PHE
SEQRES 18 A 326 LEU ALA MET LEU MET THR ALA CYS ASP LEU SER ALA ILE
SEQRES 19 A 326 THR LYS PRO TRP PRO ILE GLN GLN ARG ILE ALA GLU LEU
SEQRES 20 A 326 VAL ALA THR GLU PHE PHE ASP GLN GLY ASP ARG GLU ARG
SEQRES 21 A 326 LYS GLU LEU ASN ILE GLU PRO THR ASP LEU MET ASN ARG
SEQRES 22 A 326 GLU LYS LYS ASN LYS ILE PRO SER MET GLN VAL GLY PHE
SEQRES 23 A 326 ILE ASP ALA ILE CYS LEU GLN LEU TYR GLU ALA LEU THR
SEQRES 24 A 326 HIS VAL SER GLU ASP CYS PHE PRO LEU LEU ASP GLY CYS
SEQRES 25 A 326 ARG LYS ASN ARG GLN LYS TRP GLN ALA LEU ALA GLU GLN
SEQRES 26 A 326 GLN
HELIX 1 1 THR A 537 ALA A 546 1 10
HELIX 2 2 SER A 550 LYS A 555 1 6
HELIX 3 3 SER A 567 PHE A 588 1 22
HELIX 4 4 LYS A 591 ASN A 605 1 15
HELIX 5 5 ASN A 614 ALA A 631 1 18
HELIX 6 6 ILE A 634 HIS A 653 1 20
HELIX 7 7 SER A 679 SER A 695 1 17
HELIX 8 8 SER A 705 ASN A 742 1 38
HELIX 9 9 ASP A 748 LEU A 797 1 50
HELIX 10 10 LYS A 809 SER A 836 1 28
HELIX 11 11 CYS A 839 GLN A 860 1 22
CRYST1 60.122 155.632 89.896 90.00 90.00 90.00 C 2 2 21 8
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 0.016633 0.000000 0.000000 0.00000
SCALE2 0.000000 0.006425 0.000000 0.00000
SCALE3 0.000000 0.000000 0.011124 0.00000
ATOM 1 N THR A 537 -3.982 28.215 83.642 1.00 43.46 N1+
ATOM 2 CA THR A 537 -2.685 28.492 84.329 1.00 42.15 C
ATOM 3 C THR A 537 -2.853 28.484 85.842 1.00 42.35 C
ATOM 4 O THR A 537 -3.963 28.599 86.365 1.00 40.95 O
ATOM 5 CB THR A 537 -2.104 29.875 83.957 1.00 39.76 C
ATOM 6 OG1 THR A 537 -2.892 30.899 84.577 1.00 34.38 O
ATOM 7 CG2 THR A 537 -2.100 30.080 82.451 1.00 30.89 C
ATOM 8 H1 THR A 537 -4.551 27.631 84.220 1.00 0.00 H
ATOM 9 HG21 THR A 537 -1.544 29.372 82.016 1.00 0.00 H
ATOM 10 HG1 THR A 537 -2.514 31.792 84.335 1.00 0.00 H
ATOM 11 H2 THR A 537 -4.465 29.074 83.473 1.00 0.00 H
ATOM 12 H3 THR A 537 -3.799 27.755 82.773 1.00 0.00 H
ATOM 13 HG22 THR A 537 -3.034 30.021 82.100 1.00 0.00 H
ATOM 14 HG23 THR A 537 -1.719 30.982 82.246 1.00 0.00 H
ATOM 15 HA THR A 537 -2.065 27.768 84.027 1.00 0.00 H
ATOM 16 HB THR A 537 -1.159 29.922 84.282 1.00 0.00 H
ATOM 17 N ARG A 538 -1.731 28.366 86.536 1.00 43.46 N
ATOM 18 CA ARG A 538 -1.722 28.343 87.987 1.00 44.97 C
ATOM 19 C ARG A 538 -2.256 29.661 88.522 1.00 43.58 C
ATOM 20 O ARG A 538 -3.086 29.680 89.429 1.00 46.01 O
ATOM 21 CB ARG A 538 -0.298 28.122 88.487 1.00 40.05 C
ATOM 22 CG ARG A 538 -0.201 27.865 89.964 1.00 41.34 C
ATOM 23 CD ARG A 538 1.239 27.622 90.373 1.00 43.47 C
ATOM 24 NE ARG A 538 1.299 26.928 91.652 1.00 50.75 N
ATOM 25 CZ ARG A 538 2.415 26.694 92.323 1.00 46.85 C
ATOM 26 NH1 ARG A 538 3.577 27.101 91.835 1.00 63.89 N
ATOM 27 NH2 ARG A 538 2.367 26.062 93.484 1.00 49.99 N1+
ATOM 28 HH11 ARG A 538 3.610 27.585 90.960 1.00 0.00 H
ATOM 29 HH21 ARG A 538 1.488 25.762 93.854 1.00 0.00 H
ATOM 30 HB2 ARG A 538 0.088 27.337 88.003 1.00 0.00 H
ATOM 31 HB3 ARG A 538 0.243 28.935 88.272 1.00 0.00 H
ATOM 32 HG2 ARG A 538 -0.557 28.657 90.460 1.00 0.00 H
ATOM 33 HG3 ARG A 538 -0.750 27.062 90.197 1.00 0.00 H
ATOM 34 HD2 ARG A 538 1.692 27.068 89.674 1.00 0.00 H
ATOM 35 HD3 ARG A 538 1.714 28.499 90.451 1.00 0.00 H
ATOM 36 H ARG A 538 -0.863 28.290 86.045 1.00 0.00 H
ATOM 37 HE ARG A 538 0.439 26.607 92.050 1.00 0.00 H
ATOM 38 HH12 ARG A 538 4.421 26.925 92.341 1.00 0.00 H
ATOM 39 HH22 ARG A 538 3.210 25.885 93.992 1.00 0.00 H
ATOM 40 HA ARG A 538 -2.304 27.597 88.310 1.00 0.00 H
ATOM 41 N GLU A 539 -1.772 30.762 87.955 1.00 43.87 N
ATOM 42 CA GLU A 539 -2.209 32.086 88.378 1.00 44.67 C
ATOM 43 C GLU A 539 -3.729 32.220 88.268 1.00 37.09 C
ATOM 44 O GLU A 539 -4.389 32.694 89.198 1.00 33.65 O
ATOM 45 CB GLU A 539 -1.524 33.161 87.533 1.00 50.39 C
ATOM 46 CG GLU A 539 -1.859 34.580 87.958 1.00 62.03 C
ATOM 47 CD GLU A 539 -1.071 35.629 87.195 1.00 67.72 C
ATOM 48 OE1 GLU A 539 -1.304 36.832 87.435 1.00 73.28 O
ATOM 49 OE2 GLU A 539 -0.218 35.257 86.360 1.00 77.90 O1-
ATOM 50 HB2 GLU A 539 -0.534 33.034 87.601 1.00 0.00 H
ATOM 51 HB3 GLU A 539 -1.803 33.042 86.580 1.00 0.00 H
ATOM 52 HG2 GLU A 539 -2.835 34.738 87.806 1.00 0.00 H
ATOM 53 HG3 GLU A 539 -1.662 34.678 88.933 1.00 0.00 H
ATOM 54 H GLU A 539 -1.095 30.680 87.224 1.00 0.00 H
ATOM 55 HA GLU A 539 -1.952 32.210 89.336 1.00 0.00 H
ATOM 56 N LEU A 540 -4.276 31.796 87.132 1.00 27.95 N
ATOM 57 CA LEU A 540 -5.714 31.854 86.908 1.00 32.89 C
ATOM 58 C LEU A 540 -6.426 31.040 87.982 1.00 37.54 C
ATOM 59 O LEU A 540 -7.370 31.519 88.615 1.00 40.92 O
ATOM 60 CB LEU A 540 -6.050 31.316 85.510 1.00 31.04 C
ATOM 61 CG LEU A 540 -7.506 31.269 85.019 1.00 32.06 C
ATOM 62 CD1 LEU A 540 -8.187 30.020 85.535 1.00 42.40 C
ATOM 63 CD2 LEU A 540 -8.258 32.519 85.466 1.00 35.68 C
ATOM 64 HD11 LEU A 540 -7.702 29.211 85.204 1.00 0.00 H
ATOM 65 HD21 LEU A 540 -8.252 32.577 86.464 1.00 0.00 H
ATOM 66 HB2 LEU A 540 -5.543 31.878 84.856 1.00 0.00 H
ATOM 67 HB3 LEU A 540 -5.703 30.379 85.471 1.00 0.00 H
ATOM 68 HD12 LEU A 540 -8.178 30.019 86.535 1.00 0.00 H
ATOM 69 HD13 LEU A 540 -9.132 30.005 85.207 1.00 0.00 H
ATOM 70 HD22 LEU A 540 -7.814 33.333 85.091 1.00 0.00 H
ATOM 71 HD23 LEU A 540 -9.201 32.467 85.136 1.00 0.00 H
ATOM 72 H LEU A 540 -3.685 31.428 86.414 1.00 0.00 H
ATOM 73 HA LEU A 540 -6.023 32.803 86.962 1.00 0.00 H
ATOM 74 HG LEU A 540 -7.510 31.243 84.019 1.00 0.00 H
ATOM 75 N GLN A 541 -5.957 29.814 88.193 1.00 39.78 N
ATOM 76 CA GLN A 541 -6.539 28.922 89.192 1.00 45.07 C
ATOM 77 C GLN A 541 -6.565 29.554 90.584 1.00 45.33 C
ATOM 78 O GLN A 541 -7.545 29.413 91.318 1.00 45.23 O
ATOM 79 CB GLN A 541 -5.750 27.615 89.250 1.00 49.91 C
ATOM 80 CG GLN A 541 -5.717 26.853 87.942 1.00 65.16 C
ATOM 81 CD GLN A 541 -4.751 25.684 87.978 1.00 77.80 C
ATOM 82 OE1 GLN A 541 -4.226 25.326 89.037 1.00 84.27 O
ATOM 83 NE2 GLN A 541 -4.509 25.079 86.818 1.00 80.68 N
ATOM 84 HE21 GLN A 541 -4.955 25.401 85.983 1.00 0.00 H
ATOM 85 HB2 GLN A 541 -4.810 27.826 89.517 1.00 0.00 H
ATOM 86 HB3 GLN A 541 -6.162 27.028 89.947 1.00 0.00 H
ATOM 87 HG2 GLN A 541 -6.635 26.508 87.746 1.00 0.00 H
ATOM 88 HG3 GLN A 541 -5.441 27.477 87.211 1.00 0.00 H
ATOM 89 H GLN A 541 -5.181 29.492 87.650 1.00 0.00 H
ATOM 90 HE22 GLN A 541 -3.880 24.302 86.781 1.00 0.00 H
ATOM 91 HA GLN A 541 -7.483 28.745 88.914 1.00 0.00 H
ATOM 92 N SER A 542 -5.483 30.238 90.948 1.00 43.64 N
ATOM 93 CA SER A 542 -5.396 30.889 92.251 1.00 40.85 C
ATOM 94 C SER A 542 -6.432 31.990 92.335 1.00 38.45 C
ATOM 95 O SER A 542 -7.155 32.093 93.320 1.00 42.65 O
ATOM 96 CB SER A 542 -4.014 31.508 92.460 1.00 43.64 C
ATOM 97 OG SER A 542 -2.994 30.546 92.286 1.00 63.05 O
ATOM 98 HG SER A 542 -3.047 30.179 91.357 1.00 0.00 H
ATOM 99 HB2 SER A 542 -3.883 32.249 91.801 1.00 0.00 H
ATOM 100 HB3 SER A 542 -3.958 31.882 93.386 1.00 0.00 H
ATOM 101 H SER A 542 -4.712 30.307 90.314 1.00 0.00 H
ATOM 102 HA SER A 542 -5.557 30.199 92.956 1.00 0.00 H
ATOM 103 N LEU A 543 -6.499 32.806 91.286 1.00 35.66 N
ATOM 104 CA LEU A 543 -7.434 33.927 91.232 1.00 37.97 C
ATOM 105 C LEU A 543 -8.880 33.464 91.278 1.00 34.53 C
ATOM 106 O LEU A 543 -9.678 33.986 92.058 1.00 40.78 O
ATOM 107 CB LEU A 543 -7.220 34.750 89.953 1.00 33.43 C
ATOM 108 CG LEU A 543 -7.555 36.255 89.921 1.00 37.68 C
ATOM 109 CD1 LEU A 543 -8.345 36.538 88.646 1.00 30.62 C
ATOM 110 CD2 LEU A 543 -8.339 36.706 91.161 1.00 23.72 C
ATOM 111 HD11 LEU A 543 -7.796 36.289 87.848 1.00 0.00 H
ATOM 112 HD21 LEU A 543 -9.199 36.199 91.219 1.00 0.00 H
ATOM 113 HB2 LEU A 543 -6.252 34.665 89.716 1.00 0.00 H
ATOM 114 HB3 LEU A 543 -7.769 34.318 89.237 1.00 0.00 H
ATOM 115 HD12 LEU A 543 -9.187 35.998 88.643 1.00 0.00 H
ATOM 116 HD13 LEU A 543 -8.570 37.512 88.612 1.00 0.00 H
ATOM 117 HD22 LEU A 543 -7.801 36.528 91.985 1.00 0.00 H
ATOM 118 HD23 LEU A 543 -8.528 37.685 91.088 1.00 0.00 H
ATOM 119 H LEU A 543 -5.889 32.647 90.509 1.00 0.00 H
ATOM 120 HA LEU A 543 -7.252 34.491 92.037 1.00 0.00 H
ATOM 121 HG LEU A 543 -6.702 36.777 89.928 1.00 0.00 H
ATOM 122 N ALA A 544 -9.217 32.489 90.441 1.00 29.52 N
ATOM 123 CA ALA A 544 -10.584 31.979 90.380 1.00 31.91 C
ATOM 124 C ALA A 544 -11.015 31.220 91.637 1.00 37.38 C
ATOM 125 O ALA A 544 -12.207 31.072 91.907 1.00 31.50 O
ATOM 126 CB ALA A 544 -10.746 31.086 89.150 1.00 29.86 C
ATOM 127 HB1 ALA A 544 -10.551 31.613 88.323 1.00 0.00 H
ATOM 128 HB2 ALA A 544 -10.108 30.318 89.204 1.00 0.00 H
ATOM 129 HB3 ALA A 544 -11.685 30.743 89.118 1.00 0.00 H
ATOM 130 H ALA A 544 -8.520 32.096 89.841 1.00 0.00 H
ATOM 131 HA ALA A 544 -11.183 32.777 90.316 1.00 0.00 H
ATOM 132 N ALA A 545 -10.052 30.744 92.415 1.00 39.42 N
ATOM 133 CA ALA A 545 -10.387 29.992 93.616 1.00 38.83 C
ATOM 134 C ALA A 545 -10.323 30.810 94.901 1.00 39.85 C
ATOM 135 O ALA A 545 -10.791 30.363 95.946 1.00 45.18 O
ATOM 136 CB ALA A 545 -9.477 28.775 93.728 1.00 30.72 C
ATOM 137 HB1 ALA A 545 -9.596 28.190 92.925 1.00 0.00 H
ATOM 138 HB2 ALA A 545 -8.523 29.070 93.777 1.00 0.00 H
ATOM 139 HB3 ALA A 545 -9.715 28.266 94.555 1.00 0.00 H
ATOM 140 H ALA A 545 -9.094 30.902 92.176 1.00 0.00 H
ATOM 141 HA ALA A 545 -11.342 29.713 93.515 1.00 0.00 H
ATOM 142 N ALA A 546 -9.748 32.005 94.834 1.00 44.16 N
ATOM 143 CA ALA A 546 -9.630 32.841 96.023 1.00 44.20 C
ATOM 144 C ALA A 546 -10.951 33.484 96.423 1.00 46.07 C
ATOM 145 O ALA A 546 -11.832 33.704 95.592 1.00 48.22 O
ATOM 146 CB ALA A 546 -8.579 33.918 95.803 1.00 38.09 C
ATOM 147 HB1 ALA A 546 -7.695 33.492 95.612 1.00 0.00 H
ATOM 148 HB2 ALA A 546 -8.839 34.490 95.025 1.00 0.00 H
ATOM 149 HB3 ALA A 546 -8.512 34.481 96.627 1.00 0.00 H
ATOM 150 H ALA A 546 -9.392 32.335 93.960 1.00 0.00 H
ATOM 151 HA ALA A 546 -9.353 32.241 96.774 1.00 0.00 H
ATOM 152 N VAL A 547 -11.084 33.775 97.711 1.00 48.73 N
ATOM 153 CA VAL A 547 -12.283 34.414 98.222 1.00 52.00 C
ATOM 154 C VAL A 547 -12.175 35.899 97.921 1.00 52.52 C
ATOM 155 O VAL A 547 -11.104 36.496 98.076 1.00 54.71 O
ATOM 156 CB VAL A 547 -12.412 34.237 99.746 1.00 53.46 C
ATOM 157 CG1 VAL A 547 -13.664 34.942 100.246 1.00 53.50 C
ATOM 158 CG2 VAL A 547 -12.454 32.761 100.093 1.00 57.63 C
ATOM 159 HG11 VAL A 547 -13.610 35.917 100.030 1.00 0.00 H
ATOM 160 HG21 VAL A 547 -13.237 32.331 99.643 1.00 0.00 H
ATOM 161 HG12 VAL A 547 -14.471 34.554 99.800 1.00 0.00 H
ATOM 162 HG13 VAL A 547 -13.734 34.818 101.236 1.00 0.00 H
ATOM 163 HG22 VAL A 547 -11.615 32.316 99.780 1.00 0.00 H
ATOM 164 HG23 VAL A 547 -12.538 32.662 101.085 1.00 0.00 H
ATOM 165 H VAL A 547 -10.343 33.549 98.343 1.00 0.00 H
ATOM 166 HA VAL A 547 -13.083 33.998 97.789 1.00 0.00 H
ATOM 167 HB VAL A 547 -11.617 34.646 100.194 1.00 0.00 H
ATOM 168 N VAL A 548 -13.278 36.494 97.479 1.00 49.39 N
ATOM 169 CA VAL A 548 -13.291 37.919 97.177 1.00 43.18 C
ATOM 170 C VAL A 548 -13.820 38.692 98.378 1.00 37.66 C
ATOM 171 O VAL A 548 -14.997 38.595 98.722 1.00 40.14 O
ATOM 172 CB VAL A 548 -14.162 38.224 95.938 1.00 46.39 C
ATOM 173 CG1 VAL A 548 -13.497 37.656 94.694 1.00 44.10 C
ATOM 174 CG2 VAL A 548 -15.556 37.623 96.112 1.00 54.34 C
ATOM 175 HG11 VAL A 548 -12.594 38.070 94.576 1.00 0.00 H
ATOM 176 HG21 VAL A 548 -15.484 36.632 96.226 1.00 0.00 H
ATOM 177 HG12 VAL A 548 -13.391 36.666 94.790 1.00 0.00 H
ATOM 178 HG13 VAL A 548 -14.068 37.858 93.898 1.00 0.00 H
ATOM 179 HG22 VAL A 548 -15.993 38.013 96.923 1.00 0.00 H
ATOM 180 HG23 VAL A 548 -16.104 37.831 95.301 1.00 0.00 H
ATOM 181 H VAL A 548 -14.111 35.956 97.352 1.00 0.00 H
ATOM 182 HA VAL A 548 -12.354 38.203 96.976 1.00 0.00 H
ATOM 183 HB VAL A 548 -14.253 39.215 95.838 1.00 0.00 H
ATOM 184 N PRO A 549 -12.946 39.461 99.045 1.00 31.82 N
ATOM 185 CA PRO A 549 -13.372 40.237 100.211 1.00 34.60 C
ATOM 186 C PRO A 549 -14.418 41.261 99.810 1.00 35.78 C
ATOM 187 O PRO A 549 -14.609 41.532 98.623 1.00 36.04 O
ATOM 188 CB PRO A 549 -12.076 40.890 100.684 1.00 36.05 C
ATOM 189 CG PRO A 549 -11.020 39.914 100.224 1.00 33.15 C
ATOM 190 CD PRO A 549 -11.494 39.580 98.841 1.00 34.28 C
ATOM 191 HB2 PRO A 549 -11.948 41.788 100.262 1.00 0.00 H
ATOM 192 HB3 PRO A 549 -12.064 40.993 101.679 1.00 0.00 H
ATOM 193 HG2 PRO A 549 -10.113 40.336 100.209 1.00 0.00 H
ATOM 194 HG3 PRO A 549 -10.992 39.102 100.807 1.00 0.00 H
ATOM 195 HD2 PRO A 549 -11.098 38.722 98.514 1.00 0.00 H
ATOM 196 HD3 PRO A 549 -11.273 40.308 98.192 1.00 0.00 H
ATOM 197 HA PRO A 549 -13.803 39.690 100.929 1.00 0.00 H
ATOM 198 N SER A 550 -15.097 41.827 100.798 1.00 36.48 N
ATOM 199 CA SER A 550 -16.127 42.822 100.529 1.00 40.69 C
ATOM 200 C SER A 550 -15.484 44.152 100.132 1.00 32.79 C
ATOM 201 O SER A 550 -14.351 44.426 100.506 1.00 30.77 O
ATOM 202 CB SER A 550 -16.997 43.022 101.773 1.00 39.30 C
ATOM 203 OG SER A 550 -16.258 43.622 102.824 1.00 47.24 O
ATOM 204 HG SER A 550 -16.855 43.737 103.618 1.00 0.00 H
ATOM 205 HB2 SER A 550 -17.772 43.609 101.540 1.00 0.00 H
ATOM 206 HB3 SER A 550 -17.341 42.135 102.080 1.00 0.00 H
ATOM 207 H SER A 550 -14.899 41.567 101.743 1.00 0.00 H
ATOM 208 HA SER A 550 -16.698 42.498 99.775 1.00 0.00 H
ATOM 209 N ALA A 551 -16.208 44.968 99.371 1.00 35.62 N
ATOM 210 CA ALA A 551 -15.694 46.267 98.955 1.00 37.44 C
ATOM 211 C ALA A 551 -15.255 47.041 100.202 1.00 39.26 C
ATOM 212 O ALA A 551 -14.220 47.720 100.203 1.00 38.76 O
ATOM 213 CB ALA A 551 -16.773 47.043 98.200 1.00 42.01 C
ATOM 214 HB1 ALA A 551 -17.055 46.527 97.391 1.00 0.00 H
ATOM 215 HB2 ALA A 551 -17.567 47.180 98.792 1.00 0.00 H
ATOM 216 HB3 ALA A 551 -16.403 47.930 97.923 1.00 0.00 H
ATOM 217 H ALA A 551 -17.122 44.685 99.079 1.00 0.00 H
ATOM 218 HA ALA A 551 -14.913 46.144 98.343 1.00 0.00 H
ATOM 219 N GLN A 552 -16.048 46.933 101.263 1.00 32.67 N
ATOM 220 CA GLN A 552 -15.723 47.601 102.513 1.00 38.13 C
ATOM 221 C GLN A 552 -14.349 47.162 103.008 1.00 38.84 C
ATOM 222 O GLN A 552 -13.505 47.996 103.349 1.00 36.88 O
ATOM 223 CB GLN A 552 -16.765 47.283 103.574 1.00 42.93 C
ATOM 224 CG GLN A 552 -16.399 47.840 104.929 1.00 52.71 C
ATOM 225 CD GLN A 552 -17.543 47.762 105.906 1.00 62.45 C
ATOM 226 OE1 GLN A 552 -18.571 48.420 105.728 1.00 61.10 O
ATOM 227 NE2 GLN A 552 -17.378 46.950 106.945 1.00 66.55 N
ATOM 228 HE21 GLN A 552 -16.528 46.432 107.045 1.00 0.00 H
ATOM 229 HB2 GLN A 552 -17.642 47.672 103.291 1.00 0.00 H
ATOM 230 HB3 GLN A 552 -16.858 46.290 103.648 1.00 0.00 H
ATOM 231 HG2 GLN A 552 -15.625 47.321 105.293 1.00 0.00 H
ATOM 232 HG3 GLN A 552 -16.128 48.797 104.824 1.00 0.00 H
ATOM 233 H GLN A 552 -16.881 46.384 101.201 1.00 0.00 H
ATOM 234 HE22 GLN A 552 -18.103 46.857 107.627 1.00 0.00 H
ATOM 235 HA GLN A 552 -15.715 48.587 102.345 1.00 0.00 H
ATOM 236 N THR A 553 -14.126 45.852 103.054 1.00 38.24 N
ATOM 237 CA THR A 553 -12.837 45.326 103.482 1.00 38.91 C
ATOM 238 C THR A 553 -11.750 45.865 102.557 1.00 43.38 C
ATOM 239 O THR A 553 -10.732 46.382 103.016 1.00 39.10 O
ATOM 240 CB THR A 553 -12.794 43.790 103.417 1.00 36.37 C
ATOM 241 OG1 THR A 553 -13.798 43.245 104.279 1.00 44.13 O
ATOM 242 CG2 THR A 553 -11.426 43.278 103.854 1.00 35.57 C
ATOM 243 HG21 THR A 553 -10.719 43.650 103.252 1.00 0.00 H
ATOM 244 HG1 THR A 553 -14.646 43.134 103.761 1.00 0.00 H
ATOM 245 HG22 THR A 553 -11.240 43.569 104.792 1.00 0.00 H
ATOM 246 HG23 THR A 553 -11.421 42.279 103.804 1.00 0.00 H
ATOM 247 H THR A 553 -14.854 45.219 102.791 1.00 0.00 H
ATOM 248 HA THR A 553 -12.692 45.612 104.429 1.00 0.00 H
ATOM 249 HB THR A 553 -12.964 43.504 102.474 1.00 0.00 H
ATOM 250 N LEU A 554 -11.982 45.742 101.251 1.00 44.01 N
ATOM 251 CA LEU A 554 -11.033 46.209 100.247 1.00 42.34 C
ATOM 252 C LEU A 554 -10.863 47.725 100.261 1.00 41.37 C
ATOM 253 O LEU A 554 -9.868 48.245 99.760 1.00 45.49 O
ATOM 254 CB LEU A 554 -11.473 45.742 98.860 1.00 43.22 C
ATOM 255 CG LEU A 554 -11.540 44.220 98.707 1.00 41.46 C
ATOM 256 CD1 LEU A 554 -12.021 43.867 97.315 1.00 43.46 C
ATOM 257 CD2 LEU A 554 -10.167 43.619 98.965 1.00 42.12 C
ATOM 258 HD11 LEU A 554 -12.367 44.688 96.860 1.00 0.00 H
ATOM 259 HD21 LEU A 554 -9.508 43.990 98.310 1.00 0.00 H
ATOM 260 HB2 LEU A 554 -12.380 46.119 98.673 1.00 0.00 H
ATOM 261 HB3 LEU A 554 -10.827 46.099 98.186 1.00 0.00 H
ATOM 262 HD12 LEU A 554 -11.263 43.494 96.780 1.00 0.00 H
ATOM 263 HD13 LEU A 554 -12.751 43.187 97.385 1.00 0.00 H
ATOM 264 HD22 LEU A 554 -9.868 43.846 99.892 1.00 0.00 H
ATOM 265 HD23 LEU A 554 -10.222 42.626 98.863 1.00 0.00 H
ATOM 266 H LEU A 554 -12.835 45.316 100.949 1.00 0.00 H
ATOM 267 HA LEU A 554 -10.143 45.813 100.473 1.00 0.00 H
ATOM 268 HG LEU A 554 -12.185 43.845 99.373 1.00 0.00 H
ATOM 269 N LYS A 555 -11.836 48.431 100.830 1.00 39.55 N
ATOM 270 CA LYS A 555 -11.766 49.886 100.933 1.00 35.95 C
ATOM 271 C LYS A 555 -11.759 50.564 99.567 1.00 36.99 C
ATOM 272 O LYS A 555 -11.313 51.704 99.439 1.00 30.39 O
ATOM 273 CB LYS A 555 -10.497 50.286 101.697 1.00 40.22 C
ATOM 274 CG LYS A 555 -10.339 49.617 103.056 1.00 46.94 C
ATOM 275 CD LYS A 555 -8.892 49.650 103.553 1.00 52.24 C
ATOM 276 CE LYS A 555 -8.470 51.030 104.040 1.00 61.52 C
ATOM 277 NZ LYS A 555 -9.165 51.428 105.302 1.00 62.35 N1+
ATOM 278 HZ1 LYS A 555 -9.374 50.613 105.843 1.00 0.00 H
ATOM 279 HB2 LYS A 555 -9.705 50.048 101.135 1.00 0.00 H
ATOM 280 HB3 LYS A 555 -10.512 51.276 101.835 1.00 0.00 H
ATOM 281 HG2 LYS A 555 -10.920 50.089 103.718 1.00 0.00 H
ATOM 282 HG3 LYS A 555 -10.635 48.664 102.985 1.00 0.00 H
ATOM 283 HD2 LYS A 555 -8.796 48.999 104.306 1.00 0.00 H
ATOM 284 HD3 LYS A 555 -8.288 49.374 102.805 1.00 0.00 H
ATOM 285 HE2 LYS A 555 -7.483 51.027 104.202 1.00 0.00 H
ATOM 286 HE3 LYS A 555 -8.681 51.702 103.330 1.00 0.00 H
ATOM 287 HZ2 LYS A 555 -8.574 52.031 105.838 1.00 0.00 H
ATOM 288 HZ3 LYS A 555 -10.012 51.906 105.070 1.00 0.00 H
ATOM 289 H LYS A 555 -12.635 47.954 101.196 1.00 0.00 H
ATOM 290 HA LYS A 555 -12.584 50.190 101.422 1.00 0.00 H
ATOM 291 N ILE A 556 -12.253 49.871 98.545 1.00 38.62 N
ATOM 292 CA ILE A 556 -12.266 50.438 97.203 1.00 35.50 C
ATOM 293 C ILE A 556 -13.378 51.445 96.972 1.00 36.44 C
ATOM 294 O ILE A 556 -13.511 51.984 95.874 1.00 36.17 O
ATOM 295 CB ILE A 556 -12.394 49.352 96.119 1.00 32.98 C
ATOM 296 CG1 ILE A 556 -13.586 48.443 96.429 1.00 28.11 C
ATOM 297 CG2 ILE A 556 -11.091 48.588 96.000 1.00 34.49 C
ATOM 298 CD1 ILE A 556 -13.994 47.546 95.261 1.00 28.79 C
ATOM 299 HG21 ILE A 556 -10.353 49.217 95.753 1.00 0.00 H
ATOM 300 HD11 ILE A 556 -14.246 48.110 94.475 1.00 0.00 H
ATOM 301 HG12 ILE A 556 -13.348 47.863 97.208 1.00 0.00 H
ATOM 302 HG13 ILE A 556 -14.367 49.016 96.677 1.00 0.00 H
ATOM 303 HG22 ILE A 556 -10.871 48.156 96.875 1.00 0.00 H
ATOM 304 HG23 ILE A 556 -11.188 47.887 95.294 1.00 0.00 H
ATOM 305 HD12 ILE A 556 -13.229 46.955 95.005 1.00 0.00 H
ATOM 306 HD13 ILE A 556 -14.774 46.985 95.538 1.00 0.00 H
ATOM 307 H ILE A 556 -12.619 48.953 98.699 1.00 0.00 H
ATOM 308 HA ILE A 556 -11.386 50.908 97.132 1.00 0.00 H
ATOM 309 HB ILE A 556 -12.571 49.774 95.230 1.00 0.00 H
ATOM 310 N THR A 557 -14.176 51.710 97.995 1.00 34.62 N
ATOM 311 CA THR A 557 -15.256 52.662 97.818 1.00 41.48 C
ATOM 312 C THR A 557 -14.828 54.105 98.059 1.00 39.14 C
ATOM 313 O THR A 557 -15.519 55.030 97.636 1.00 42.57 O
ATOM 314 CB THR A 557 -16.453 52.347 98.738 1.00 40.49 C
ATOM 315 OG1 THR A 557 -16.840 50.977 98.572 1.00 41.99 O
ATOM 316 CG2 THR A 557 -17.641 53.231 98.374 1.00 36.20 C
ATOM 317 HG21 THR A 557 -17.390 54.193 98.480 1.00 0.00 H
ATOM 318 HG1 THR A 557 -17.616 50.783 99.172 1.00 0.00 H
ATOM 319 HG22 THR A 557 -17.906 53.066 97.424 1.00 0.00 H
ATOM 320 HG23 THR A 557 -18.406 53.013 98.980 1.00 0.00 H
ATOM 321 H THR A 557 -14.036 51.260 98.877 1.00 0.00 H
ATOM 322 HA THR A 557 -15.528 52.568 96.860 1.00 0.00 H
ATOM 323 HB THR A 557 -16.181 52.518 99.685 1.00 0.00 H
ATOM 324 N ASP A 558 -13.692 54.314 98.718 1.00 37.93 N
ATOM 325 CA ASP A 558 -13.265 55.684 98.993 1.00 42.60 C
ATOM 326 C ASP A 558 -12.212 56.249 98.053 1.00 39.38 C
ATOM 327 O ASP A 558 -11.228 55.584 97.715 1.00 38.09 O
ATOM 328 CB ASP A 558 -12.814 55.829 100.455 1.00 47.86 C
ATOM 329 CG ASP A 558 -11.917 54.708 100.907 1.00 52.27 C
ATOM 330 OD1 ASP A 558 -10.741 54.681 100.487 1.00 63.78 O
ATOM 331 OD2 ASP A 558 -12.395 53.852 101.683 1.00 52.81 O1-
ATOM 332 HB2 ASP A 558 -12.322 56.694 100.554 1.00 0.00 H
ATOM 333 HB3 ASP A 558 -13.624 55.847 101.041 1.00 0.00 H
ATOM 334 H ASP A 558 -13.135 53.541 99.022 1.00 0.00 H
ATOM 335 HA ASP A 558 -14.080 56.238 98.823 1.00 0.00 H
ATOM 336 N PHE A 559 -12.446 57.492 97.639 1.00 30.24 N
ATOM 337 CA PHE A 559 -11.569 58.197 96.716 1.00 35.09 C
ATOM 338 C PHE A 559 -10.117 58.258 97.172 1.00 34.60 C
ATOM 339 O PHE A 559 -9.221 58.451 96.359 1.00 42.50 O
ATOM 340 CB PHE A 559 -12.074 59.628 96.483 1.00 32.41 C
ATOM 341 CG PHE A 559 -13.489 59.713 95.969 1.00 31.69 C
ATOM 342 CD1 PHE A 559 -14.546 59.994 96.837 1.00 30.88 C
ATOM 343 CD2 PHE A 559 -13.762 59.551 94.612 1.00 24.09 C
ATOM 344 CE1 PHE A 559 -15.854 60.120 96.363 1.00 23.40 C
ATOM 345 CE2 PHE A 559 -15.071 59.673 94.124 1.00 31.23 C
ATOM 346 CZ PHE A 559 -16.117 59.960 95.000 1.00 28.26 C
ATOM 347 HB2 PHE A 559 -12.023 60.124 97.350 1.00 0.00 H
ATOM 348 HB3 PHE A 559 -11.471 60.071 95.819 1.00 0.00 H
ATOM 349 H PHE A 559 -13.261 57.963 97.977 1.00 0.00 H
ATOM 350 HD1 PHE A 559 -14.364 60.107 97.814 1.00 0.00 H
ATOM 351 HD2 PHE A 559 -13.016 59.345 93.979 1.00 0.00 H
ATOM 352 HE1 PHE A 559 -16.600 60.324 96.997 1.00 0.00 H
ATOM 353 HE2 PHE A 559 -15.254 59.554 93.148 1.00 0.00 H
ATOM 354 HZ PHE A 559 -17.051 60.051 94.655 1.00 0.00 H
ATOM 355 HA PHE A 559 -11.593 57.668 95.868 1.00 0.00 H
ATOM 356 N SER A 560 -9.882 58.100 98.468 1.00 34.99 N
ATOM 357 CA SER A 560 -8.524 58.159 98.994 1.00 39.92 C
ATOM 358 C SER A 560 -7.766 56.837 98.881 1.00 38.48 C
ATOM 359 O SER A 560 -6.581 56.763 99.214 1.00 41.45 O
ATOM 360 CB SER A 560 -8.557 58.612 100.455 1.00 43.29 C
ATOM 361 OG SER A 560 -9.382 57.759 101.232 1.00 62.02 O
ATOM 362 HG SER A 560 -9.362 56.840 100.839 1.00 0.00 H
ATOM 363 HB2 SER A 560 -7.628 58.598 100.824 1.00 0.00 H
ATOM 364 HB3 SER A 560 -8.912 59.546 100.503 1.00 0.00 H
ATOM 365 H SER A 560 -10.646 57.938 99.092 1.00 0.00 H
ATOM 366 HA SER A 560 -8.028 58.820 98.430 1.00 0.00 H
ATOM 367 N PHE A 561 -8.454 55.801 98.409 1.00 37.95 N
ATOM 368 CA PHE A 561 -7.875 54.470 98.253 1.00 29.62 C
ATOM 369 C PHE A 561 -6.477 54.488 97.634 1.00 35.09 C
ATOM 370 O PHE A 561 -6.178 55.329 96.792 1.00 37.40 O
ATOM 371 CB PHE A 561 -8.803 53.616 97.390 1.00 31.06 C
ATOM 372 CG PHE A 561 -8.214 52.294 96.992 1.00 34.43 C
ATOM 373 CD1 PHE A 561 -8.340 51.182 97.816 1.00 38.75 C
ATOM 374 CD2 PHE A 561 -7.518 52.164 95.795 1.00 32.56 C
ATOM 375 CE1 PHE A 561 -7.780 49.953 97.453 1.00 39.97 C
ATOM 376 CE2 PHE A 561 -6.952 50.942 95.420 1.00 41.45 C
ATOM 377 CZ PHE A 561 -7.084 49.834 96.252 1.00 34.04 C
ATOM 378 HB2 PHE A 561 -9.645 53.447 97.902 1.00 0.00 H
ATOM 379 HB3 PHE A 561 -9.024 54.127 96.559 1.00 0.00 H
ATOM 380 H PHE A 561 -9.410 55.940 98.150 1.00 0.00 H
ATOM 381 HD1 PHE A 561 -8.838 51.262 98.680 1.00 0.00 H
ATOM 382 HD2 PHE A 561 -7.421 52.957 95.193 1.00 0.00 H
ATOM 383 HE1 PHE A 561 -7.879 49.161 98.055 1.00 0.00 H
ATOM 384 HE2 PHE A 561 -6.454 50.864 94.556 1.00 0.00 H
ATOM 385 HZ PHE A 561 -6.681 48.957 95.989 1.00 0.00 H
ATOM 386 HA PHE A 561 -7.780 54.082 99.170 1.00 0.00 H
ATOM 387 N SER A 562 -5.624 53.554 98.053 1.00 35.23 N
ATOM 388 CA SER A 562 -4.268 53.450 97.515 1.00 39.13 C
ATOM 389 C SER A 562 -3.899 51.996 97.207 1.00 44.00 C
ATOM 390 O SER A 562 -4.135 51.095 98.019 1.00 40.54 O
ATOM 391 CB SER A 562 -3.250 54.028 98.492 1.00 46.31 C
ATOM 392 OG SER A 562 -1.934 53.828 98.000 1.00 55.04 O
ATOM 393 HG SER A 562 -1.957 53.825 97.000 1.00 0.00 H
ATOM 394 HB2 SER A 562 -3.418 55.007 98.606 1.00 0.00 H
ATOM 395 HB3 SER A 562 -3.345 53.576 99.379 1.00 0.00 H
ATOM 396 H SER A 562 -5.919 52.906 98.755 1.00 0.00 H
ATOM 397 HA SER A 562 -4.248 53.976 96.665 1.00 0.00 H
ATOM 398 N ASP A 563 -3.301 51.779 96.038 1.00 42.17 N
ATOM 399 CA ASP A 563 -2.924 50.437 95.608 1.00 42.70 C
ATOM 400 C ASP A 563 -1.529 50.009 96.047 1.00 40.72 C
ATOM 401 O ASP A 563 -1.268 48.823 96.238 1.00 46.44 O
ATOM 402 CB ASP A 563 -3.012 50.339 94.078 1.00 43.35 C
ATOM 403 CG ASP A 563 -1.775 50.907 93.373 1.00 51.95 C
ATOM 404 OD1 ASP A 563 -0.802 50.153 93.155 1.00 51.85 O
ATOM 405 OD2 ASP A 563 -1.768 52.112 93.040 1.00 57.86 O1-
ATOM 406 HB2 ASP A 563 -3.114 49.377 93.824 1.00 0.00 H
ATOM 407 HB3 ASP A 563 -3.818 50.844 93.769 1.00 0.00 H
ATOM 408 H ASP A 563 -3.105 52.556 95.439 1.00 0.00 H
ATOM 409 HA ASP A 563 -3.570 49.817 96.053 1.00 0.00 H
ATOM 410 N PHE A 564 -0.645 50.982 96.219 1.00 44.85 N
ATOM 411 CA PHE A 564 0.748 50.722 96.566 1.00 49.77 C
ATOM 412 C PHE A 564 1.098 49.536 97.465 1.00 50.10 C
ATOM 413 O PHE A 564 2.129 48.895 97.261 1.00 49.19 O
ATOM 414 CB PHE A 564 1.397 51.981 97.144 1.00 46.24 C
ATOM 415 CG PHE A 564 2.898 51.933 97.124 1.00 51.81 C
ATOM 416 CD1 PHE A 564 3.581 51.825 95.915 1.00 46.57 C
ATOM 417 CD2 PHE A 564 3.629 51.946 98.307 1.00 49.99 C
ATOM 418 CE1 PHE A 564 4.969 51.729 95.883 1.00 51.69 C
ATOM 419 CE2 PHE A 564 5.018 51.850 98.286 1.00 48.49 C
ATOM 420 CZ PHE A 564 5.689 51.741 97.071 1.00 53.35 C
ATOM 421 HB2 PHE A 564 1.094 52.770 96.610 1.00 0.00 H
ATOM 422 HB3 PHE A 564 1.093 52.093 98.090 1.00 0.00 H
ATOM 423 H PHE A 564 -0.944 51.930 96.107 1.00 0.00 H
ATOM 424 HD1 PHE A 564 3.067 51.816 95.058 1.00 0.00 H
ATOM 425 HD2 PHE A 564 3.152 52.025 99.182 1.00 0.00 H
ATOM 426 HE1 PHE A 564 5.446 51.652 95.008 1.00 0.00 H
ATOM 427 HE2 PHE A 564 5.533 51.859 99.143 1.00 0.00 H
ATOM 428 HZ PHE A 564 6.686 51.672 97.054 1.00 0.00 H
ATOM 429 HA PHE A 564 1.116 50.447 95.678 1.00 0.00 H
ATOM 430 N GLU A 565 0.268 49.233 98.454 1.00 51.78 N
ATOM 431 CA GLU A 565 0.585 48.121 99.341 1.00 54.86 C
ATOM 432 C GLU A 565 -0.108 46.808 98.986 1.00 50.37 C
ATOM 433 O GLU A 565 0.067 45.806 99.680 1.00 51.67 O
ATOM 434 CB GLU A 565 0.264 48.502 100.783 1.00 60.50 C
ATOM 435 CG GLU A 565 -1.140 49.022 100.973 1.00 82.00 C
ATOM 436 CD GLU A 565 -1.430 49.369 102.416 1.00 93.46 C
ATOM 437 OE1 GLU A 565 -1.375 48.454 103.268 1.00 98.90 O
ATOM 438 OE2 GLU A 565 -1.710 50.554 102.698 1.00 99.78 O1-
ATOM 439 HB2 GLU A 565 0.385 47.694 101.359 1.00 0.00 H
ATOM 440 HB3 GLU A 565 0.907 49.210 101.076 1.00 0.00 H
ATOM 441 HG2 GLU A 565 -1.260 49.841 100.412 1.00 0.00 H
ATOM 442 HG3 GLU A 565 -1.789 48.323 100.672 1.00 0.00 H
ATOM 443 H GLU A 565 -0.569 49.763 98.590 1.00 0.00 H
ATOM 444 HA GLU A 565 1.564 47.952 99.226 1.00 0.00 H
ATOM 445 N LEU A 566 -0.883 46.812 97.905 1.00 43.18 N
ATOM 446 CA LEU A 566 -1.596 45.613 97.469 1.00 41.01 C
ATOM 447 C LEU A 566 -0.782 44.786 96.478 1.00 35.47 C
ATOM 448 O LEU A 566 -0.017 45.330 95.677 1.00 35.90 O
ATOM 449 CB LEU A 566 -2.918 45.988 96.798 1.00 35.01 C
ATOM 450 CG LEU A 566 -3.830 46.990 97.493 1.00 37.61 C
ATOM 451 CD1 LEU A 566 -5.111 47.138 96.675 1.00 34.14 C
ATOM 452 CD2 LEU A 566 -4.143 46.513 98.896 1.00 37.05 C
ATOM 453 HD11 LEU A 566 -4.888 47.462 95.756 1.00 0.00 H
ATOM 454 HD21 LEU A 566 -4.598 45.624 98.856 1.00 0.00 H
ATOM 455 HB2 LEU A 566 -2.697 46.362 95.897 1.00 0.00 H
ATOM 456 HB3 LEU A 566 -3.441 45.144 96.680 1.00 0.00 H
ATOM 457 HD12 LEU A 566 -5.571 46.253 96.605 1.00 0.00 H
ATOM 458 HD13 LEU A 566 -5.713 47.796 97.128 1.00 0.00 H
ATOM 459 HD22 LEU A 566 -3.295 46.421 99.418 1.00 0.00 H
ATOM 460 HD23 LEU A 566 -4.742 47.179 99.340 1.00 0.00 H
ATOM 461 H LEU A 566 -0.980 47.656 97.378 1.00 0.00 H
ATOM 462 HA LEU A 566 -1.759 45.068 98.291 1.00 0.00 H
ATOM 463 HG LEU A 566 -3.377 47.879 97.560 1.00 0.00 H
ATOM 464 N SER A 567 -0.964 43.471 96.526 1.00 29.66 N
ATOM 465 CA SER A 567 -0.267 42.571 95.612 1.00 26.73 C
ATOM 466 C SER A 567 -1.054 42.538 94.308 1.00 23.46 C
ATOM 467 O SER A 567 -2.197 42.991 94.256 1.00 26.51 O
ATOM 468 CB SER A 567 -0.211 41.161 96.193 1.00 20.92 C
ATOM 469 OG SER A 567 -1.501 40.574 96.172 1.00 29.16 O
ATOM 470 HG SER A 567 -1.406 39.583 96.073 1.00 0.00 H
ATOM 471 HB2 SER A 567 0.418 40.603 95.651 1.00 0.00 H
ATOM 472 HB3 SER A 567 0.120 41.202 97.136 1.00 0.00 H
ATOM 473 H SER A 567 -1.593 43.089 97.203 1.00 0.00 H
ATOM 474 HA SER A 567 0.668 42.893 95.465 1.00 0.00 H
ATOM 475 N ASP A 568 -0.453 42.006 93.253 1.00 28.73 N
ATOM 476 CA ASP A 568 -1.156 41.922 91.978 1.00 35.82 C
ATOM 477 C ASP A 568 -2.450 41.164 92.197 1.00 32.40 C
ATOM 478 O ASP A 568 -3.515 41.586 91.745 1.00 26.47 O
ATOM 479 CB ASP A 568 -0.317 41.183 90.930 1.00 39.71 C
ATOM 480 CG ASP A 568 0.818 42.023 90.393 1.00 42.62 C
ATOM 481 OD1 ASP A 568 1.622 41.487 89.601 1.00 38.81 O
ATOM 482 OD2 ASP A 568 0.901 43.216 90.758 1.00 40.32 O1-
ATOM 483 HB2 ASP A 568 0.062 40.357 91.347 1.00 0.00 H
ATOM 484 HB3 ASP A 568 -0.910 40.920 90.169 1.00 0.00 H
ATOM 485 H ASP A 568 0.483 41.662 93.331 1.00 0.00 H
ATOM 486 HA ASP A 568 -1.332 42.848 91.643 1.00 0.00 H
ATOM 487 N LEU A 569 -2.348 40.042 92.905 1.00 34.19 N
ATOM 488 CA LEU A 569 -3.510 39.207 93.185 1.00 35.43 C
ATOM 489 C LEU A 569 -4.620 40.044 93.814 1.00 33.28 C
ATOM 490 O LEU A 569 -5.772 39.982 93.385 1.00 28.88 O
ATOM 491 CB LEU A 569 -3.123 38.053 94.122 1.00 33.70 C
ATOM 492 CG LEU A 569 -4.141 36.920 94.321 1.00 35.96 C
ATOM 493 CD1 LEU A 569 -3.508 35.802 95.118 1.00 41.90 C
ATOM 494 CD2 LEU A 569 -5.360 37.424 95.042 1.00 37.60 C
ATOM 495 HD11 LEU A 569 -2.710 35.450 94.629 1.00 0.00 H
ATOM 496 HD21 LEU A 569 -5.097 37.785 95.937 1.00 0.00 H
ATOM 497 HB2 LEU A 569 -2.284 37.644 93.763 1.00 0.00 H
ATOM 498 HB3 LEU A 569 -2.933 38.447 95.021 1.00 0.00 H
ATOM 499 HD12 LEU A 569 -3.217 36.146 96.011 1.00 0.00 H
ATOM 500 HD13 LEU A 569 -4.178 35.070 95.242 1.00 0.00 H
ATOM 501 HD22 LEU A 569 -5.789 38.154 94.510 1.00 0.00 H
ATOM 502 HD23 LEU A 569 -6.005 36.669 95.158 1.00 0.00 H
ATOM 503 H LEU A 569 -1.453 39.765 93.254 1.00 0.00 H
ATOM 504 HA LEU A 569 -3.843 38.823 92.324 1.00 0.00 H
ATOM 505 HG LEU A 569 -4.418 36.579 93.423 1.00 0.00 H
ATOM 506 N GLU A 570 -4.266 40.823 94.832 1.00 32.76 N
ATOM 507 CA GLU A 570 -5.237 41.669 95.512 1.00 33.60 C
ATOM 508 C GLU A 570 -5.896 42.673 94.568 1.00 31.38 C
ATOM 509 O GLU A 570 -7.081 42.965 94.705 1.00 30.25 O
ATOM 510 CB GLU A 570 -4.573 42.385 96.693 1.00 30.34 C
ATOM 511 CG GLU A 570 -4.497 41.511 97.945 1.00 41.41 C
ATOM 512 CD GLU A 570 -3.433 41.948 98.944 1.00 44.57 C
ATOM 513 OE1 GLU A 570 -3.377 41.347 100.039 1.00 48.60 O
ATOM 514 OE2 GLU A 570 -2.650 42.875 98.643 1.00 47.52 O1-
ATOM 515 HB2 GLU A 570 -3.646 42.650 96.428 1.00 0.00 H
ATOM 516 HB3 GLU A 570 -5.098 43.209 96.907 1.00 0.00 H
ATOM 517 HG2 GLU A 570 -5.387 41.534 98.400 1.00 0.00 H
ATOM 518 HG3 GLU A 570 -4.299 40.572 97.664 1.00 0.00 H
ATOM 519 H GLU A 570 -3.314 40.828 95.137 1.00 0.00 H
ATOM 520 HA GLU A 570 -5.966 41.076 95.855 1.00 0.00 H
ATOM 521 N THR A 571 -5.149 43.202 93.604 1.00 29.79 N
ATOM 522 CA THR A 571 -5.760 44.147 92.679 1.00 28.59 C
ATOM 523 C THR A 571 -6.760 43.408 91.793 1.00 28.25 C
ATOM 524 O THR A 571 -7.836 43.928 91.505 1.00 27.85 O
ATOM 525 CB THR A 571 -4.708 44.880 91.808 1.00 27.24 C
ATOM 526 OG1 THR A 571 -3.966 43.937 91.034 1.00 27.00 O
ATOM 527 CG2 THR A 571 -3.752 45.671 92.692 1.00 29.63 C
ATOM 528 HG21 THR A 571 -4.265 46.345 93.224 1.00 0.00 H
ATOM 529 HG1 THR A 571 -4.300 43.016 91.235 1.00 0.00 H
ATOM 530 HG22 THR A 571 -3.282 45.051 93.320 1.00 0.00 H
ATOM 531 HG23 THR A 571 -3.082 46.136 92.113 1.00 0.00 H
ATOM 532 H THR A 571 -4.184 42.955 93.515 1.00 0.00 H
ATOM 533 HA THR A 571 -6.230 44.847 93.217 1.00 0.00 H
ATOM 534 HB THR A 571 -5.187 45.508 91.194 1.00 0.00 H
ATOM 535 N ALA A 572 -6.419 42.187 91.381 1.00 24.43 N
ATOM 536 CA ALA A 572 -7.324 41.393 90.549 1.00 26.81 C
ATOM 537 C ALA A 572 -8.604 41.099 91.319 1.00 28.76 C
ATOM 538 O ALA A 572 -9.688 41.116 90.747 1.00 34.98 O
ATOM 539 CB ALA A 572 -6.671 40.086 90.125 1.00 17.89 C
ATOM 540 HB1 ALA A 572 -5.841 40.278 89.602 1.00 0.00 H
ATOM 541 HB2 ALA A 572 -6.429 39.551 90.934 1.00 0.00 H
ATOM 542 HB3 ALA A 572 -7.314 39.569 89.560 1.00 0.00 H
ATOM 543 H ALA A 572 -5.532 41.808 91.644 1.00 0.00 H
ATOM 544 HA ALA A 572 -7.538 41.920 89.726 1.00 0.00 H
ATOM 545 N LEU A 573 -8.476 40.821 92.613 1.00 31.71 N
ATOM 546 CA LEU A 573 -9.647 40.546 93.441 1.00 36.07 C
ATOM 547 C LEU A 573 -10.491 41.812 93.587 1.00 33.58 C
ATOM 548 O LEU A 573 -11.719 41.756 93.507 1.00 35.53 O
ATOM 549 CB LEU A 573 -9.229 40.037 94.825 1.00 38.74 C
ATOM 550 CG LEU A 573 -8.621 38.633 94.917 1.00 35.97 C
ATOM 551 CD1 LEU A 573 -8.130 38.403 96.340 1.00 30.39 C
ATOM 552 CD2 LEU A 573 -9.650 37.574 94.518 1.00 33.19 C
ATOM 553 HD11 LEU A 573 -7.440 39.088 96.573 1.00 0.00 H
ATOM 554 HD21 LEU A 573 -10.441 37.626 95.128 1.00 0.00 H
ATOM 555 HB2 LEU A 573 -8.556 40.680 95.190 1.00 0.00 H
ATOM 556 HB3 LEU A 573 -10.041 40.050 95.408 1.00 0.00 H
ATOM 557 HD12 LEU A 573 -8.895 38.483 96.979 1.00 0.00 H
ATOM 558 HD13 LEU A 573 -7.733 37.488 96.403 1.00 0.00 H
ATOM 559 HD22 LEU A 573 -9.953 37.734 93.579 1.00 0.00 H
ATOM 560 HD23 LEU A 573 -9.229 36.669 94.586 1.00 0.00 H
ATOM 561 H LEU A 573 -7.565 40.800 93.025 1.00 0.00 H
ATOM 562 HA LEU A 573 -10.189 39.835 92.993 1.00 0.00 H
ATOM 563 HG LEU A 573 -7.850 38.558 94.284 1.00 0.00 H
ATOM 564 N CYS A 574 -9.835 42.950 93.804 1.00 34.98 N
ATOM 565 CA CYS A 574 -10.556 44.216 93.930 1.00 31.22 C
ATOM 566 C CYS A 574 -11.365 44.415 92.658 1.00 31.52 C
ATOM 567 O CYS A 574 -12.526 44.811 92.704 1.00 28.37 O
ATOM 568 CB CYS A 574 -9.589 45.395 94.079 1.00 36.58 C
ATOM 569 SG CYS A 574 -8.864 45.633 95.722 1.00 34.48 S
ATOM 570 HG CYS A 574 -8.054 46.687 95.689 1.00 0.00 H
ATOM 571 HB2 CYS A 574 -8.841 45.261 93.429 1.00 0.00 H
ATOM 572 HB3 CYS A 574 -10.083 46.230 93.838 1.00 0.00 H
ATOM 573 H CYS A 574 -8.838 42.939 93.882 1.00 0.00 H
ATOM 574 HA CYS A 574 -11.139 44.182 94.742 1.00 0.00 H
ATOM 575 N THR A 575 -10.736 44.127 91.521 1.00 27.23 N
ATOM 576 CA THR A 575 -11.382 44.286 90.227 1.00 21.85 C
ATOM 577 C THR A 575 -12.622 43.415 90.119 1.00 22.92 C
ATOM 578 O THR A 575 -13.632 43.822 89.548 1.00 26.65 O
ATOM 579 CB THR A 575 -10.402 43.954 89.096 1.00 27.30 C
ATOM 580 OG1 THR A 575 -9.246 44.787 89.223 1.00 31.10 O
ATOM 581 CG2 THR A 575 -11.036 44.203 87.739 1.00 28.99 C
ATOM 582 HG21 THR A 575 -11.850 43.631 87.638 1.00 0.00 H
ATOM 583 HG1 THR A 575 -8.816 44.614 90.109 1.00 0.00 H
ATOM 584 HG22 THR A 575 -11.302 45.164 87.661 1.00 0.00 H
ATOM 585 HG23 THR A 575 -10.374 43.978 87.024 1.00 0.00 H
ATOM 586 H THR A 575 -9.794 43.792 91.557 1.00 0.00 H
ATOM 587 HA THR A 575 -11.666 45.241 90.142 1.00 0.00 H
ATOM 588 HB THR A 575 -10.152 42.988 89.163 1.00 0.00 H
ATOM 589 N ILE A 576 -12.550 42.212 90.675 1.00 27.86 N
ATOM 590 CA ILE A 576 -13.689 41.312 90.646 1.00 23.85 C
ATOM 591 C ILE A 576 -14.802 41.891 91.512 1.00 21.73 C
ATOM 592 O ILE A 576 -15.970 41.909 91.116 1.00 28.62 O
ATOM 593 CB ILE A 576 -13.299 39.917 91.143 1.00 23.97 C
ATOM 594 CG1 ILE A 576 -12.393 39.246 90.104 1.00 27.02 C
ATOM 595 CG2 ILE A 576 -14.550 39.082 91.383 1.00 23.50 C
ATOM 596 CD1 ILE A 576 -11.914 37.865 90.493 1.00 30.92 C
ATOM 597 HG21 ILE A 576 -15.126 39.527 92.069 1.00 0.00 H
ATOM 598 HD11 ILE A 576 -11.393 37.917 91.345 1.00 0.00 H
ATOM 599 HG12 ILE A 576 -12.900 39.174 89.245 1.00 0.00 H
ATOM 600 HG13 ILE A 576 -11.592 39.828 89.961 1.00 0.00 H
ATOM 601 HG22 ILE A 576 -15.067 38.995 90.531 1.00 0.00 H
ATOM 602 HG23 ILE A 576 -14.279 38.175 91.707 1.00 0.00 H
ATOM 603 HD12 ILE A 576 -12.699 37.261 90.628 1.00 0.00 H
ATOM 604 HD13 ILE A 576 -11.333 37.504 89.763 1.00 0.00 H
ATOM 605 H ILE A 576 -11.702 41.922 91.119 1.00 0.00 H
ATOM 606 HA ILE A 576 -14.008 41.220 89.703 1.00 0.00 H
ATOM 607 HB ILE A 576 -12.802 39.994 92.008 1.00 0.00 H
ATOM 608 N ARG A 577 -14.442 42.369 92.697 1.00 23.67 N
ATOM 609 CA ARG A 577 -15.425 42.979 93.585 1.00 26.48 C
ATOM 610 C ARG A 577 -16.079 44.161 92.850 1.00 26.60 C
ATOM 611 O ARG A 577 -17.289 44.369 92.949 1.00 19.86 O
ATOM 612 CB ARG A 577 -14.749 43.459 94.880 1.00 28.02 C
ATOM 613 CG ARG A 577 -15.665 44.215 95.837 1.00 30.95 C