1450 lines
115 KiB
Plaintext
1450 lines
115 KiB
Plaintext
HEADER LIGASE 25-JAN-07 2OOB
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TITLE CRYSTAL STRUCTURE OF THE UBA DOMAIN FROM CBL-B UBIQUITIN LIGASE IN
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TITLE 2 COMPLEX WITH UBIQUITIN
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COMPND MOL_ID: 1;
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COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE CBL-B;
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COMPND 3 CHAIN: A;
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COMPND 4 FRAGMENT: UBA DOMAIN;
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COMPND 5 SYNONYM: SIGNAL TRANSDUCTION PROTEIN CBL-B, SH3-BINDING PROTEIN CBL-
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COMPND 6 B, CASITAS B-LINEAGE LYMPHOMA PROTO-ONCOGENE B, RING FINGER PROTEIN
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COMPND 7 56;
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COMPND 8 EC: 6.3.2.-;
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COMPND 9 ENGINEERED: YES;
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COMPND 10 MOL_ID: 2;
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COMPND 11 MOLECULE: UBIQUITIN;
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COMPND 12 CHAIN: B
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SOURCE MOL_ID: 1;
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SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
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SOURCE 3 ORGANISM_COMMON: HUMAN;
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SOURCE 4 ORGANISM_TAXID: 9606;
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SOURCE 5 GENE: CBLB, RNF56;
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SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
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SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
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SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
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SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
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SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1;
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SOURCE 11 MOL_ID: 2;
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SOURCE 12 ORGANISM_SCIENTIFIC: BOS TAURUS;
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SOURCE 13 ORGANISM_COMMON: CATTLE;
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SOURCE 14 ORGANISM_TAXID: 9913
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KEYWDS PROTEIN-PROTEIN COMPLEX, LIGASE
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EXPDTA X-RAY DIFFRACTION
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AUTHOR G.KOZLOV,K.GEHRING
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REVDAT 3 30-AUG-23 2OOB 1 SEQADV
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REVDAT 2 05-AUG-08 2OOB 1 JRNL VERSN
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REVDAT 1 06-FEB-07 2OOB 0
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JRNL AUTH P.PESCHARD,G.KOZLOV,T.LIN,I.A.MIRZA,A.M.BERGHUIS,
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JRNL AUTH 2 S.LIPKOWITZ,M.PARK,K.GEHRING
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JRNL TITL STRUCTURAL BASIS FOR UBIQUITIN-MEDIATED DIMERIZATION AND
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JRNL TITL 2 ACTIVATION OF THE UBIQUITIN PROTEIN LIGASE CBL-B.
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JRNL REF MOL.CELL V. 27 474 2007
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JRNL REFN ISSN 1097-2765
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JRNL PMID 17679095
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JRNL DOI 10.1016/J.MOLCEL.2007.06.023
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REMARK 2
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REMARK 2 RESOLUTION. 1.90 ANGSTROMS.
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REMARK 3
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REMARK 3 REFINEMENT.
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REMARK 3 PROGRAM : REFMAC 5.2.0005
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REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,
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REMARK 3 : NICHOLLS,WINN,LONG,VAGIN
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REMARK 3
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REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
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REMARK 3
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REMARK 3 DATA USED IN REFINEMENT.
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REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90
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REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.15
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REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
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REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7
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REMARK 3 NUMBER OF REFLECTIONS : 10076
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REMARK 3
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REMARK 3 FIT TO DATA USED IN REFINEMENT.
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REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
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REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
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REMARK 3 R VALUE (WORKING + TEST SET) : 0.199
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REMARK 3 R VALUE (WORKING SET) : 0.197
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REMARK 3 FREE R VALUE : 0.256
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REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800
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REMARK 3 FREE R VALUE TEST SET COUNT : 505
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REMARK 3
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REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
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REMARK 3 TOTAL NUMBER OF BINS USED : 20
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REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90
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REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95
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REMARK 3 REFLECTION IN BIN (WORKING SET) : 671
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REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 90.49
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REMARK 3 BIN R VALUE (WORKING SET) : 0.2230
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REMARK 3 BIN FREE R VALUE SET COUNT : 43
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REMARK 3 BIN FREE R VALUE : 0.3680
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REMARK 3
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REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
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REMARK 3 PROTEIN ATOMS : 924
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REMARK 3 NUCLEIC ACID ATOMS : 0
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REMARK 3 HETEROGEN ATOMS : 0
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REMARK 3 SOLVENT ATOMS : 134
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REMARK 3
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REMARK 3 B VALUES.
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REMARK 3 FROM WILSON PLOT (A**2) : NULL
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REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.70
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REMARK 3 OVERALL ANISOTROPIC B VALUE.
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REMARK 3 B11 (A**2) : 0.01000
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REMARK 3 B22 (A**2) : 0.00000
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REMARK 3 B33 (A**2) : 0.00000
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REMARK 3 B12 (A**2) : 0.00000
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REMARK 3 B13 (A**2) : 0.00000
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REMARK 3 B23 (A**2) : 0.00000
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REMARK 3
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REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
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REMARK 3 ESU BASED ON R VALUE (A): 0.162
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REMARK 3 ESU BASED ON FREE R VALUE (A): 0.161
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REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.108
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REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.620
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REMARK 3
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REMARK 3 CORRELATION COEFFICIENTS.
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REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.946
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REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.897
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REMARK 3
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REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
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REMARK 3 BOND LENGTHS REFINED ATOMS (A): 933 ; 0.017 ; 0.022
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REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1253 ; 1.753 ; 1.982
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REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL
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REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 114 ; 6.203 ; 5.000
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REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 45 ;29.879 ;25.556
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REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 186 ;15.133 ;15.000
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REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;17.774 ;15.000
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REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 147 ; 0.147 ; 0.200
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REMARK 3 GENERAL PLANES REFINED ATOMS (A): 679 ; 0.006 ; 0.020
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REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 406 ; 0.211 ; 0.200
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REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 640 ; 0.312 ; 0.200
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REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 112 ; 0.176 ; 0.200
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REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
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REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 58 ; 0.231 ; 0.200
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REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.242 ; 0.200
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REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL
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REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
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REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL
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REMARK 3
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REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
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REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 593 ; 1.042 ; 1.500
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REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 929 ; 1.728 ; 2.000
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REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 373 ; 2.888 ; 3.000
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REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 324 ; 4.777 ; 4.500
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REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3
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REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
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REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL
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REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL
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REMARK 3
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REMARK 3 NCS RESTRAINTS STATISTICS
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REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL
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REMARK 3
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REMARK 3 TLS DETAILS
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REMARK 3 NUMBER OF TLS GROUPS : NULL
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REMARK 3
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REMARK 3 BULK SOLVENT MODELLING.
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REMARK 3 METHOD USED : MASK
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REMARK 3 PARAMETERS FOR MASK CALCULATION
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REMARK 3 VDW PROBE RADIUS : 1.20
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REMARK 3 ION PROBE RADIUS : 0.80
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REMARK 3 SHRINKAGE RADIUS : 0.80
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REMARK 3
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REMARK 3 OTHER REFINEMENT REMARKS: NULL
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REMARK 4
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REMARK 4 2OOB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
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REMARK 100
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REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JAN-07.
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REMARK 100 THE DEPOSITION ID IS D_1000041383.
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REMARK 200
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REMARK 200 EXPERIMENTAL DETAILS
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REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
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REMARK 200 DATE OF DATA COLLECTION : 20-APR-06
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REMARK 200 TEMPERATURE (KELVIN) : 100
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REMARK 200 PH : 5.0
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REMARK 200 NUMBER OF CRYSTALS USED : 1
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REMARK 200
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REMARK 200 SYNCHROTRON (Y/N) : N
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REMARK 200 RADIATION SOURCE : ROTATING ANODE
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REMARK 200 BEAMLINE : NULL
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REMARK 200 X-RAY GENERATOR MODEL : RIGAKU
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REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
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REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
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REMARK 200 MONOCHROMATOR : GRAPHITE
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REMARK 200 OPTICS : OSMIC MULTILAYER CONFOCAL OPTICS
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REMARK 200
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REMARK 200 DETECTOR TYPE : IMAGE PLATE
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REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++
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REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
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REMARK 200 DATA SCALING SOFTWARE : HKL-2000
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REMARK 200
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REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10568
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REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900
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REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
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REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000
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REMARK 200
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REMARK 200 OVERALL.
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REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9
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REMARK 200 DATA REDUNDANCY : 6.900
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REMARK 200 R MERGE (I) : 0.04100
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REMARK 200 R SYM (I) : NULL
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REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 29.9000
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REMARK 200
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REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
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REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90
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REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97
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REMARK 200 COMPLETENESS FOR SHELL (%) : 92.7
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REMARK 200 DATA REDUNDANCY IN SHELL : 6.10
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REMARK 200 R MERGE FOR SHELL (I) : 0.12800
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REMARK 200 R SYM FOR SHELL (I) : NULL
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REMARK 200 <I/SIGMA(I)> FOR SHELL : 10.90
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REMARK 200
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REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
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REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
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REMARK 200 SOFTWARE USED: PHASER
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REMARK 200 STARTING MODEL: PDB ENTRIES 1UBQ, 2OOA
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REMARK 200
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REMARK 200 REMARK: NULL
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REMARK 280
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REMARK 280 CRYSTAL
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REMARK 280 SOLVENT CONTENT, VS (%): 46.59
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REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30
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REMARK 280
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REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M CALCIUM CHLORIDE, 0.1M SODIUM
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REMARK 280 ACETATE, 20% PEG6000, PH 5.0, VAPOR DIFFUSION, HANGING DROP,
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REMARK 280 TEMPERATURE 293K
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REMARK 290
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REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
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REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2
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REMARK 290
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REMARK 290 SYMOP SYMMETRY
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REMARK 290 NNNMMM OPERATOR
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REMARK 290 1555 X,Y,Z
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REMARK 290 2555 -X,-Y,Z
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REMARK 290 3555 -X,Y,-Z
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REMARK 290 4555 X,-Y,-Z
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REMARK 290 5555 X+1/2,Y+1/2,Z+1/2
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REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2
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REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2
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REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2
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REMARK 290
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REMARK 290 WHERE NNN -> OPERATOR NUMBER
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REMARK 290 MMM -> TRANSLATION VECTOR
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REMARK 290
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REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
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REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
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REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
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REMARK 290 RELATED MOLECULES.
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REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
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REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
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REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
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REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
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REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000
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REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
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REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
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REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
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REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 25.30400
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REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 27.39200
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REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 47.31050
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REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 25.30400
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REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.39200
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REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 47.31050
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REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 25.30400
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REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.39200
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REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 47.31050
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REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 25.30400
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REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.39200
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REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 47.31050
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REMARK 290
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REMARK 290 REMARK: NULL
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REMARK 300
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REMARK 300 BIOMOLECULE: 1
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REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
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REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
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REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
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REMARK 300 BURIED SURFACE AREA.
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REMARK 350
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REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
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REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
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REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
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REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
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REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
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REMARK 350
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REMARK 350 BIOMOLECULE: 1
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REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
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REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
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REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
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REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
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REMARK 375
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REMARK 375 SPECIAL POSITION
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REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
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REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
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REMARK 375 POSITIONS.
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REMARK 375
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REMARK 375 ATOM RES CSSEQI
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REMARK 375 HOH A 110 LIES ON A SPECIAL POSITION.
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REMARK 375 HOH B 150 LIES ON A SPECIAL POSITION.
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REMARK 465
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REMARK 465 MISSING RESIDUES
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REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
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REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
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REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
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REMARK 465
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REMARK 465 M RES C SSSEQI
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REMARK 465 GLY A 922
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REMARK 465 SER A 923
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REMARK 465 GLY A 924
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REMARK 465 PRO A 925
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REMARK 465 GLU A 926
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REMARK 465 ALA A 927
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REMARK 465 ALA A 928
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REMARK 465 PRO A 973
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REMARK 465 LEU B 73
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REMARK 465 ARG B 74
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REMARK 465 GLY B 75
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REMARK 465 GLY B 76
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REMARK 500
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REMARK 500 GEOMETRY AND STEREOCHEMISTRY
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REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
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REMARK 500
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REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
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REMARK 500
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REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
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REMARK 500 OE1 GLU B 64 O HOH B 157 2.17
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REMARK 500
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REMARK 500 REMARK: NULL
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REMARK 500
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REMARK 500 GEOMETRY AND STEREOCHEMISTRY
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REMARK 500 SUBTOPIC: TORSION ANGLES
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REMARK 500
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REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
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REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
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REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
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REMARK 500
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REMARK 500 STANDARD TABLE:
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REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
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REMARK 500
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REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
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REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
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REMARK 500
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REMARK 500 M RES CSSEQI PSI PHI
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REMARK 500 ASN A 931 55.37 -111.80
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REMARK 500
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REMARK 500 REMARK: NULL
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REMARK 900
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REMARK 900 RELATED ENTRIES
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REMARK 900 RELATED ID: 2OO9 RELATED DB: PDB
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REMARK 900 RELATED ID: 2OOA RELATED DB: PDB
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REMARK 900 CBL-B UBA
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DBREF 2OOB A 924 973 UNP Q13191 CBLB_HUMAN 924 973
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DBREF 2OOB B 1 76 UNP P62990 UBIQ_BOVIN 1 76
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SEQADV 2OOB GLY A 922 UNP Q13191 CLONING ARTIFACT
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SEQADV 2OOB SER A 923 UNP Q13191 CLONING ARTIFACT
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SEQRES 1 A 52 GLY SER GLY PRO GLU ALA ALA LEU GLU ASN VAL ASP ALA
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SEQRES 2 A 52 LYS ILE ALA LYS LEU MET GLY GLU GLY TYR ALA PHE GLU
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SEQRES 3 A 52 GLU VAL LYS ARG ALA LEU GLU ILE ALA GLN ASN ASN VAL
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SEQRES 4 A 52 GLU VAL ALA ARG SER ILE LEU ARG GLU PHE ALA PHE PRO
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SEQRES 1 B 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE
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SEQRES 2 B 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL
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SEQRES 3 B 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP
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SEQRES 4 B 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP
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SEQRES 5 B 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER
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SEQRES 6 B 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY
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FORMUL 3 HOH *134(H2 O)
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HELIX 1 1 ASN A 931 GLU A 942 1 12
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HELIX 2 2 ALA A 945 ALA A 956 1 12
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HELIX 3 3 ASN A 959 ALA A 971 1 13
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HELIX 4 4 THR B 22 GLY B 35 1 14
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HELIX 5 5 PRO B 37 ASP B 39 5 3
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HELIX 6 6 LEU B 56 ASN B 60 5 5
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SHEET 1 A 5 THR B 12 GLU B 16 0
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SHEET 2 A 5 GLN B 2 LYS B 6 -1 N VAL B 5 O ILE B 13
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SHEET 3 A 5 THR B 66 LEU B 71 1 O LEU B 67 N PHE B 4
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SHEET 4 A 5 GLN B 41 PHE B 45 -1 N ARG B 42 O VAL B 70
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SHEET 5 A 5 LYS B 48 GLN B 49 -1 O LYS B 48 N PHE B 45
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CRYST1 50.608 54.784 94.621 90.00 90.00 90.00 I 2 2 2 8
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ORIGX1 1.000000 0.000000 0.000000 0.00000
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ORIGX2 0.000000 1.000000 0.000000 0.00000
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ORIGX3 0.000000 0.000000 1.000000 0.00000
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SCALE1 0.019760 0.000000 0.000000 0.00000
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SCALE2 0.000000 0.018254 0.000000 0.00000
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SCALE3 0.000000 0.000000 0.010568 0.00000
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ATOM 1 N LEU A 929 26.117 -5.693 15.769 1.00 29.81 N
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ATOM 2 CA LEU A 929 27.153 -4.857 15.061 1.00 29.93 C
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ATOM 3 C LEU A 929 26.486 -3.835 14.143 1.00 29.74 C
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ATOM 4 O LEU A 929 26.790 -2.625 14.181 1.00 29.50 O
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ATOM 5 CB LEU A 929 28.096 -5.742 14.248 1.00 30.37 C
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ATOM 6 CG LEU A 929 29.617 -5.471 14.154 1.00 28.52 C
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ATOM 7 CD1 LEU A 929 30.109 -5.719 12.711 1.00 27.72 C
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ATOM 8 CD2 LEU A 929 30.111 -4.134 14.702 1.00 25.22 C
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ATOM 9 N GLU A 930 25.592 -4.316 13.283 1.00 29.50 N
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ATOM 10 CA GLU A 930 24.720 -3.411 12.581 1.00 29.52 C
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ATOM 11 C GLU A 930 23.799 -3.032 13.722 1.00 28.84 C
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ATOM 12 O GLU A 930 23.834 -3.649 14.790 1.00 30.73 O
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ATOM 13 CB GLU A 930 24.057 -4.070 11.368 1.00 30.31 C
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ATOM 14 CG GLU A 930 25.092 -4.539 10.271 1.00 32.29 C
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ATOM 15 CD GLU A 930 26.361 -3.610 10.128 1.00 33.77 C
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ATOM 16 OE1 GLU A 930 26.199 -2.374 9.952 1.00 35.75 O
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ATOM 17 OE2 GLU A 930 27.517 -4.127 10.199 1.00 32.22 O
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ATOM 18 N ASN A 931 23.064 -1.967 13.629 1.00 27.08 N
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ATOM 19 CA ASN A 931 22.627 -1.491 14.972 1.00 24.79 C
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ATOM 20 C ASN A 931 21.131 -1.716 15.039 1.00 21.71 C
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ATOM 21 O ASN A 931 20.392 -0.807 15.330 1.00 20.44 O
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ATOM 22 CB ASN A 931 23.051 -0.021 15.168 1.00 24.40 C
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ATOM 23 CG ASN A 931 23.184 0.410 16.651 1.00 25.91 C
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ATOM 24 OD1 ASN A 931 23.037 -0.377 17.613 1.00 26.29 O
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ATOM 25 ND2 ASN A 931 23.449 1.699 16.827 1.00 26.39 N
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ATOM 26 N VAL A 932 20.715 -2.967 14.802 1.00 19.44 N
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ATOM 27 CA VAL A 932 19.317 -3.241 14.414 1.00 18.49 C
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ATOM 28 C VAL A 932 18.230 -2.792 15.396 1.00 16.51 C
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ATOM 29 O VAL A 932 17.280 -2.124 14.973 1.00 16.08 O
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ATOM 30 CB VAL A 932 19.089 -4.686 13.880 1.00 19.25 C
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ATOM 31 CG1 VAL A 932 17.615 -4.913 13.531 1.00 20.18 C
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ATOM 32 CG2 VAL A 932 19.942 -4.876 12.601 1.00 20.29 C
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ATOM 33 N ASP A 933 18.390 -3.151 16.665 1.00 14.44 N
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ATOM 34 CA ASP A 933 17.419 -2.787 17.711 1.00 13.12 C
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ATOM 35 C ASP A 933 17.374 -1.266 17.822 1.00 11.75 C
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ATOM 36 O ASP A 933 16.299 -0.698 17.955 1.00 10.97 O
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ATOM 37 CB ASP A 933 17.827 -3.363 19.061 1.00 12.60 C
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ATOM 38 CG ASP A 933 17.624 -4.878 19.165 1.00 14.67 C
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ATOM 39 OD1 ASP A 933 18.073 -5.413 20.195 1.00 14.47 O
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ATOM 40 OD2 ASP A 933 17.023 -5.511 18.251 1.00 16.37 O
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ATOM 41 N ALA A 934 18.540 -0.603 17.782 1.00 10.80 N
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ATOM 42 CA ALA A 934 18.553 0.895 17.848 1.00 11.56 C
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ATOM 43 C ALA A 934 17.863 1.493 16.630 1.00 12.27 C
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ATOM 44 O ALA A 934 17.145 2.501 16.753 1.00 12.08 O
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ATOM 45 CB ALA A 934 20.003 1.474 17.974 1.00 12.40 C
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ATOM 46 N LYS A 935 18.070 0.875 15.462 1.00 11.97 N
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ATOM 47 CA LYS A 935 17.440 1.342 14.211 1.00 12.60 C
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ATOM 48 C LYS A 935 15.921 1.104 14.231 1.00 12.45 C
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ATOM 49 O LYS A 935 15.166 1.992 13.818 1.00 12.53 O
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ATOM 50 CB LYS A 935 18.088 0.668 12.985 1.00 13.38 C
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ATOM 51 CG LYS A 935 19.521 1.152 12.754 1.00 13.04 C
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ATOM 52 CD LYS A 935 20.121 0.542 11.509 1.00 13.17 C
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ATOM 53 CE LYS A 935 21.534 1.063 11.268 1.00 14.86 C
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ATOM 54 NZ LYS A 935 22.026 0.174 10.138 1.00 16.40 N
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ATOM 55 N ILE A 936 15.488 -0.050 14.751 1.00 10.93 N
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ATOM 56 CA ILE A 936 14.052 -0.297 14.943 1.00 12.45 C
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ATOM 57 C ILE A 936 13.452 0.787 15.847 1.00 12.85 C
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ATOM 58 O ILE A 936 12.435 1.394 15.502 1.00 12.24 O
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ATOM 59 CB ILE A 936 13.745 -1.704 15.528 1.00 12.04 C
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ATOM 60 CG1 ILE A 936 14.094 -2.804 14.500 1.00 13.51 C
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ATOM 61 CG2 ILE A 936 12.259 -1.812 15.942 1.00 10.62 C
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ATOM 62 CD1 ILE A 936 14.188 -4.227 15.098 1.00 13.79 C
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ATOM 63 N ALA A 937 14.092 1.012 16.997 1.00 12.41 N
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ATOM 64 CA ALA A 937 13.563 1.943 17.992 1.00 13.27 C
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ATOM 65 C ALA A 937 13.434 3.345 17.380 1.00 13.70 C
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ATOM 66 O ALA A 937 12.383 3.988 17.537 1.00 13.87 O
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ATOM 67 CB ALA A 937 14.461 1.986 19.264 1.00 13.52 C
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ATOM 68 N LYS A 938 14.487 3.797 16.709 1.00 13.33 N
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ATOM 69 CA LYS A 938 14.516 5.135 16.063 1.00 14.79 C
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ATOM 70 C LYS A 938 13.353 5.313 15.084 1.00 14.31 C
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ATOM 71 O LYS A 938 12.597 6.313 15.156 1.00 14.53 O
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ATOM 72 CB LYS A 938 15.835 5.361 15.333 1.00 14.78 C
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ATOM 73 CG LYS A 938 15.955 6.769 14.630 1.00 15.12 C
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ATOM 74 CD LYS A 938 17.317 6.902 13.974 1.00 16.87 C
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ATOM 75 CE LYS A 938 17.465 8.161 13.137 1.00 19.98 C
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ATOM 76 NZ LYS A 938 17.004 9.352 13.922 1.00 20.21 N
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ATOM 77 N LEU A 939 13.174 4.350 14.179 1.00 13.07 N
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ATOM 78 CA LEU A 939 12.091 4.484 13.203 1.00 12.80 C
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ATOM 79 C LEU A 939 10.698 4.340 13.820 1.00 13.35 C
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ATOM 80 O LEU A 939 9.778 5.053 13.430 1.00 13.43 O
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ATOM 81 CB LEU A 939 12.298 3.578 11.990 1.00 12.68 C
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ATOM 82 CG LEU A 939 13.504 3.935 11.110 1.00 13.83 C
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ATOM 83 CD1 LEU A 939 13.793 2.730 10.115 1.00 16.52 C
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ATOM 84 CD2 LEU A 939 13.330 5.286 10.403 1.00 14.32 C
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ATOM 85 N MET A 940 10.559 3.456 14.808 1.00 14.90 N
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ATOM 86 CA MET A 940 9.319 3.388 15.602 1.00 15.24 C
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ATOM 87 C MET A 940 9.022 4.781 16.182 1.00 16.41 C
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ATOM 88 O MET A 940 7.882 5.233 16.135 1.00 17.62 O
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ATOM 89 CB MET A 940 9.439 2.354 16.713 1.00 14.52 C
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ATOM 90 CG MET A 940 9.360 0.917 16.203 1.00 14.63 C
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ATOM 91 SD MET A 940 9.512 -0.265 17.578 1.00 17.42 S
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ATOM 92 CE MET A 940 7.976 0.001 18.479 1.00 19.11 C
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ATOM 93 N GLY A 941 10.055 5.478 16.647 1.00 16.53 N
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ATOM 94 CA GLY A 941 9.886 6.815 17.255 1.00 17.00 C
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ATOM 95 C GLY A 941 9.341 7.837 16.286 1.00 17.76 C
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ATOM 96 O GLY A 941 8.689 8.788 16.705 1.00 18.57 O
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ATOM 97 N GLU A 942 9.565 7.631 14.985 1.00 17.82 N
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ATOM 98 CA GLU A 942 9.040 8.532 13.953 1.00 19.51 C
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ATOM 99 C GLU A 942 7.565 8.333 13.637 1.00 20.28 C
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ATOM 100 O GLU A 942 7.002 9.064 12.826 1.00 21.60 O
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ATOM 101 CB GLU A 942 9.904 8.492 12.676 1.00 19.05 C
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ATOM 102 CG GLU A 942 11.333 8.876 12.955 1.00 19.58 C
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ATOM 103 CD GLU A 942 12.249 8.785 11.754 1.00 21.50 C
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ATOM 104 OE1 GLU A 942 11.761 8.704 10.608 1.00 19.37 O
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ATOM 105 OE2 GLU A 942 13.487 8.789 11.974 1.00 20.59 O
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ATOM 106 N GLY A 943 6.937 7.368 14.282 1.00 21.07 N
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ATOM 107 CA GLY A 943 5.496 7.253 14.259 1.00 22.65 C
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ATOM 108 C GLY A 943 5.041 6.006 13.529 1.00 22.38 C
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ATOM 109 O GLY A 943 3.983 6.009 12.905 1.00 23.50 O
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ATOM 110 N TYR A 944 5.840 4.947 13.596 1.00 21.26 N
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ATOM 111 CA TYR A 944 5.524 3.703 12.905 1.00 20.43 C
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ATOM 112 C TYR A 944 5.509 2.503 13.852 1.00 20.65 C
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ATOM 113 O TYR A 944 6.254 2.420 14.838 1.00 19.42 O
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ATOM 114 CB TYR A 944 6.488 3.451 11.715 1.00 21.14 C
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ATOM 115 CG TYR A 944 6.569 4.594 10.759 1.00 20.12 C
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ATOM 116 CD1 TYR A 944 5.514 4.852 9.858 1.00 20.39 C
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ATOM 117 CD2 TYR A 944 7.669 5.455 10.763 1.00 17.96 C
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ATOM 118 CE1 TYR A 944 5.560 5.940 8.995 1.00 20.13 C
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ATOM 119 CE2 TYR A 944 7.729 6.556 9.868 1.00 21.63 C
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ATOM 120 CZ TYR A 944 6.644 6.782 8.993 1.00 22.12 C
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ATOM 121 OH TYR A 944 6.665 7.842 8.096 1.00 23.64 O
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ATOM 122 N ALA A 945 4.668 1.542 13.518 1.00 19.66 N
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ATOM 123 CA ALA A 945 4.487 0.376 14.355 1.00 19.88 C
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ATOM 124 C ALA A 945 5.650 -0.632 14.237 1.00 19.21 C
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ATOM 125 O ALA A 945 6.300 -0.720 13.198 1.00 18.25 O
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ATOM 126 CB ALA A 945 3.144 -0.295 13.981 1.00 19.79 C
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ATOM 127 N PHE A 946 5.897 -1.397 15.294 1.00 18.98 N
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ATOM 128 CA PHE A 946 6.998 -2.356 15.297 1.00 19.43 C
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ATOM 129 C PHE A 946 7.065 -3.276 14.054 1.00 19.51 C
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ATOM 130 O PHE A 946 8.126 -3.399 13.424 1.00 18.02 O
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ATOM 131 CB PHE A 946 7.050 -3.190 16.566 1.00 18.98 C
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ATOM 132 CG PHE A 946 8.032 -4.340 16.475 1.00 22.17 C
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ATOM 133 CD1 PHE A 946 9.391 -4.133 16.691 1.00 18.72 C
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ATOM 134 CD2 PHE A 946 7.588 -5.625 16.124 1.00 22.44 C
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ATOM 135 CE1 PHE A 946 10.288 -5.174 16.589 1.00 23.37 C
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ATOM 136 CE2 PHE A 946 8.480 -6.682 16.018 1.00 22.89 C
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ATOM 137 CZ PHE A 946 9.844 -6.452 16.251 1.00 21.97 C
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ATOM 138 N GLU A 947 5.961 -3.939 13.703 1.00 19.24 N
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ATOM 139 CA GLU A 947 6.017 -4.883 12.554 1.00 20.13 C
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ATOM 140 C GLU A 947 6.348 -4.203 11.217 1.00 19.21 C
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ATOM 141 O GLU A 947 7.103 -4.748 10.429 1.00 19.28 O
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ATOM 142 CB GLU A 947 4.719 -5.702 12.420 1.00 21.09 C
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ATOM 143 CG GLU A 947 4.296 -6.425 13.711 1.00 27.05 C
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ATOM 144 CD GLU A 947 5.158 -7.633 14.106 1.00 35.91 C
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ATOM 145 OE1 GLU A 947 4.779 -8.300 15.118 1.00 39.48 O
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ATOM 146 OE2 GLU A 947 6.191 -7.941 13.432 1.00 39.08 O
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ATOM 147 N GLU A 948 5.770 -3.031 10.967 1.00 19.19 N
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ATOM 148 CA GLU A 948 6.116 -2.205 9.804 1.00 20.22 C
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ATOM 149 C GLU A 948 7.616 -1.862 9.746 1.00 17.76 C
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ATOM 150 O GLU A 948 8.274 -1.959 8.703 1.00 16.39 O
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ATOM 151 CB GLU A 948 5.338 -0.882 9.866 1.00 20.14 C
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ATOM 152 CG GLU A 948 3.900 -1.009 9.415 1.00 24.52 C
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ATOM 153 CD GLU A 948 3.051 0.214 9.756 1.00 25.97 C
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ATOM 154 OE1 GLU A 948 2.014 0.373 9.085 1.00 31.69 O
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ATOM 155 OE2 GLU A 948 3.390 1.002 10.707 1.00 34.37 O
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ATOM 156 N VAL A 949 8.139 -1.407 10.880 1.00 16.09 N
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ATOM 157 CA VAL A 949 9.543 -0.971 10.944 1.00 14.97 C
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ATOM 158 C VAL A 949 10.470 -2.163 10.715 1.00 15.05 C
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ATOM 159 O VAL A 949 11.378 -2.069 9.914 1.00 14.59 O
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ATOM 160 CB VAL A 949 9.885 -0.287 12.299 1.00 14.53 C
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ATOM 161 CG1 VAL A 949 11.407 -0.086 12.418 1.00 13.30 C
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ATOM 162 CG2 VAL A 949 9.145 1.049 12.424 1.00 12.58 C
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ATOM 163 N LYS A 950 10.233 -3.258 11.434 1.00 14.97 N
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ATOM 164 CA LYS A 950 10.988 -4.495 11.256 1.00 17.41 C
|
|
ATOM 165 C LYS A 950 11.030 -4.894 9.774 1.00 16.91 C
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|
ATOM 166 O LYS A 950 12.105 -5.134 9.231 1.00 16.16 O
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|
ATOM 167 CB LYS A 950 10.367 -5.641 12.076 1.00 17.57 C
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|
ATOM 168 CG LYS A 950 11.251 -6.893 12.116 1.00 20.07 C
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|
ATOM 169 CD LYS A 950 10.527 -8.075 12.753 1.00 19.78 C
|
|
ATOM 170 CE LYS A 950 11.349 -9.382 12.620 1.00 20.99 C
|
|
ATOM 171 NZ LYS A 950 12.620 -9.348 13.459 1.00 20.48 N
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|
ATOM 172 N ARG A 951 9.845 -4.978 9.161 1.00 16.72 N
|
|
ATOM 173 CA ARG A 951 9.717 -5.342 7.758 1.00 17.21 C
|
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ATOM 174 C ARG A 951 10.410 -4.348 6.809 1.00 16.86 C
|
|
ATOM 175 O ARG A 951 11.105 -4.763 5.873 1.00 16.23 O
|
|
ATOM 176 CB ARG A 951 8.239 -5.487 7.406 1.00 17.88 C
|
|
ATOM 177 CG ARG A 951 8.001 -5.912 5.972 1.00 22.11 C
|
|
ATOM 178 CD ARG A 951 8.687 -7.252 5.655 1.00 28.39 C
|
|
ATOM 179 NE ARG A 951 8.474 -7.591 4.250 1.00 32.90 N
|
|
ATOM 180 CZ ARG A 951 9.301 -8.324 3.518 1.00 34.41 C
|
|
ATOM 181 NH1 ARG A 951 10.422 -8.811 4.056 1.00 33.89 N
|
|
ATOM 182 NH2 ARG A 951 9.008 -8.549 2.236 1.00 35.66 N
|
|
ATOM 183 N ALA A 952 10.219 -3.044 7.031 1.00 15.72 N
|
|
ATOM 184 CA ALA A 952 10.937 -2.038 6.199 1.00 16.25 C
|
|
ATOM 185 C ALA A 952 12.470 -2.146 6.305 1.00 15.97 C
|
|
ATOM 186 O ALA A 952 13.177 -1.990 5.303 1.00 15.79 O
|
|
ATOM 187 CB ALA A 952 10.486 -0.595 6.558 1.00 16.07 C
|
|
ATOM 188 N LEU A 953 12.997 -2.367 7.514 1.00 16.55 N
|
|
ATOM 189 CA LEU A 953 14.457 -2.504 7.673 1.00 17.11 C
|
|
ATOM 190 C LEU A 953 14.980 -3.734 6.953 1.00 18.12 C
|
|
ATOM 191 O LEU A 953 16.060 -3.679 6.350 1.00 18.20 O
|
|
ATOM 192 CB LEU A 953 14.880 -2.533 9.148 1.00 17.29 C
|
|
ATOM 193 CG LEU A 953 14.969 -1.147 9.802 1.00 17.83 C
|
|
ATOM 194 CD1 LEU A 953 15.209 -1.242 11.298 1.00 20.95 C
|
|
ATOM 195 CD2 LEU A 953 16.069 -0.334 9.183 1.00 17.11 C
|
|
ATOM 196 N GLU A 954 14.217 -4.824 7.028 1.00 19.06 N
|
|
ATOM 197 CA GLU A 954 14.517 -6.054 6.258 1.00 20.96 C
|
|
ATOM 198 C GLU A 954 14.609 -5.749 4.767 1.00 20.50 C
|
|
ATOM 199 O GLU A 954 15.634 -6.012 4.138 1.00 21.21 O
|
|
ATOM 200 CB GLU A 954 13.401 -7.057 6.402 1.00 21.98 C
|
|
ATOM 201 CG GLU A 954 13.321 -7.830 7.658 1.00 27.29 C
|
|
ATOM 202 CD GLU A 954 12.130 -8.767 7.572 1.00 33.92 C
|
|
ATOM 203 OE1 GLU A 954 12.101 -9.564 6.595 1.00 36.67 O
|
|
ATOM 204 OE2 GLU A 954 11.212 -8.667 8.423 1.00 34.94 O
|
|
ATOM 205 N ILE A 955 13.540 -5.181 4.222 1.00 19.90 N
|
|
ATOM 206 CA ILE A 955 13.510 -4.794 2.809 1.00 19.70 C
|
|
ATOM 207 C ILE A 955 14.711 -3.898 2.465 1.00 19.53 C
|
|
ATOM 208 O ILE A 955 15.399 -4.135 1.459 1.00 19.01 O
|
|
ATOM 209 CB ILE A 955 12.143 -4.176 2.424 1.00 19.91 C
|
|
ATOM 210 CG1 ILE A 955 11.039 -5.239 2.467 1.00 21.27 C
|
|
ATOM 211 CG2 ILE A 955 12.208 -3.484 1.069 1.00 18.24 C
|
|
ATOM 212 CD1 ILE A 955 9.660 -4.667 2.389 1.00 24.83 C
|
|
ATOM 213 N ALA A 956 14.975 -2.892 3.308 1.00 18.89 N
|
|
ATOM 214 CA ALA A 956 16.082 -1.937 3.123 1.00 19.22 C
|
|
ATOM 215 C ALA A 956 17.500 -2.446 3.433 1.00 19.57 C
|
|
ATOM 216 O ALA A 956 18.461 -1.690 3.343 1.00 19.17 O
|
|
ATOM 217 CB ALA A 956 15.809 -0.632 3.950 1.00 18.14 C
|
|
ATOM 218 N GLN A 957 17.620 -3.708 3.831 1.00 20.22 N
|
|
ATOM 219 CA GLN A 957 18.905 -4.294 4.193 1.00 21.37 C
|
|
ATOM 220 C GLN A 957 19.596 -3.419 5.242 1.00 21.18 C
|
|
ATOM 221 O GLN A 957 20.784 -3.086 5.128 1.00 21.60 O
|
|
ATOM 222 CB GLN A 957 19.746 -4.561 2.928 1.00 20.73 C
|
|
ATOM 223 CG GLN A 957 18.972 -5.415 1.870 1.00 21.88 C
|
|
ATOM 224 CD GLN A 957 19.811 -5.776 0.625 1.00 25.70 C
|
|
ATOM 225 OE1 GLN A 957 19.351 -6.498 -0.270 1.00 31.58 O
|
|
ATOM 226 NE2 GLN A 957 21.026 -5.251 0.555 1.00 29.87 N
|
|
ATOM 227 N ASN A 958 18.803 -3.022 6.256 1.00 20.59 N
|
|
ATOM 228 CA ASN A 958 19.249 -2.232 7.416 1.00 20.10 C
|
|
ATOM 229 C ASN A 958 19.674 -0.776 7.150 1.00 19.50 C
|
|
ATOM 230 O ASN A 958 20.182 -0.102 8.037 1.00 18.91 O
|
|
ATOM 231 CB ASN A 958 20.281 -3.017 8.264 1.00 20.82 C
|
|
ATOM 232 CG ASN A 958 19.666 -4.225 8.922 1.00 23.32 C
|
|
ATOM 233 OD1 ASN A 958 18.446 -4.258 9.166 1.00 24.18 O
|
|
ATOM 234 ND2 ASN A 958 20.508 -5.253 9.227 1.00 24.54 N
|
|
ATOM 235 N ASN A 959 19.373 -0.265 5.947 1.00 19.30 N
|
|
ATOM 236 CA ASN A 959 19.645 1.143 5.638 1.00 19.26 C
|
|
ATOM 237 C ASN A 959 18.477 1.988 6.176 1.00 18.66 C
|
|
ATOM 238 O ASN A 959 17.332 1.845 5.702 1.00 17.58 O
|
|
ATOM 239 CB ASN A 959 19.836 1.336 4.114 1.00 19.54 C
|
|
ATOM 240 CG ASN A 959 20.173 2.750 3.750 1.00 20.03 C
|
|
ATOM 241 OD1 ASN A 959 19.445 3.664 4.093 1.00 20.86 O
|
|
ATOM 242 ND2 ASN A 959 21.289 2.944 3.046 1.00 21.48 N
|
|
ATOM 243 N VAL A 960 18.770 2.855 7.154 1.00 17.79 N
|
|
ATOM 244 CA VAL A 960 17.743 3.633 7.862 1.00 17.46 C
|
|
ATOM 245 C VAL A 960 17.036 4.590 6.937 1.00 17.34 C
|
|
ATOM 246 O VAL A 960 15.819 4.682 6.982 1.00 16.71 O
|
|
ATOM 247 CB VAL A 960 18.296 4.401 9.100 1.00 17.58 C
|
|
ATOM 248 CG1 VAL A 960 17.226 5.391 9.666 1.00 17.58 C
|
|
ATOM 249 CG2 VAL A 960 18.614 3.420 10.173 1.00 18.59 C
|
|
ATOM 250 N GLU A 961 17.818 5.260 6.081 1.00 18.12 N
|
|
ATOM 251 CA GLU A 961 17.302 6.244 5.123 1.00 18.73 C
|
|
ATOM 252 C GLU A 961 16.330 5.565 4.142 1.00 17.37 C
|
|
ATOM 253 O GLU A 961 15.257 6.080 3.820 1.00 15.69 O
|
|
ATOM 254 CB GLU A 961 18.479 6.883 4.366 1.00 20.54 C
|
|
ATOM 255 CG GLU A 961 19.542 7.652 5.219 1.00 25.83 C
|
|
ATOM 256 CD GLU A 961 20.286 6.835 6.339 1.00 34.48 C
|
|
ATOM 257 OE1 GLU A 961 20.618 5.618 6.174 1.00 33.46 O
|
|
ATOM 258 OE2 GLU A 961 20.574 7.457 7.412 1.00 37.58 O
|
|
ATOM 259 N VAL A 962 16.696 4.379 3.682 1.00 16.06 N
|
|
ATOM 260 CA VAL A 962 15.821 3.643 2.740 1.00 14.62 C
|
|
ATOM 261 C VAL A 962 14.570 3.109 3.422 1.00 13.77 C
|
|
ATOM 262 O VAL A 962 13.469 3.263 2.888 1.00 12.59 O
|
|
ATOM 263 CB VAL A 962 16.586 2.517 2.020 1.00 14.95 C
|
|
ATOM 264 CG1 VAL A 962 15.604 1.636 1.219 1.00 16.20 C
|
|
ATOM 265 CG2 VAL A 962 17.646 3.129 1.113 1.00 15.05 C
|
|
ATOM 266 N ALA A 963 14.725 2.501 4.603 1.00 13.06 N
|
|
ATOM 267 CA ALA A 963 13.558 2.036 5.372 1.00 12.62 C
|
|
ATOM 268 C ALA A 963 12.602 3.200 5.638 1.00 13.30 C
|
|
ATOM 269 O ALA A 963 11.372 3.030 5.594 1.00 12.87 O
|
|
ATOM 270 CB ALA A 963 14.017 1.460 6.683 1.00 12.30 C
|
|
ATOM 271 N ARG A 964 13.166 4.363 5.970 1.00 13.98 N
|
|
ATOM 272 CA ARG A 964 12.335 5.544 6.280 1.00 14.53 C
|
|
ATOM 273 C ARG A 964 11.527 5.917 5.052 1.00 15.51 C
|
|
ATOM 274 O ARG A 964 10.322 6.171 5.163 1.00 16.48 O
|
|
ATOM 275 CB ARG A 964 13.184 6.742 6.742 1.00 14.45 C
|
|
ATOM 276 CG ARG A 964 12.313 8.033 6.924 1.00 15.17 C
|
|
ATOM 277 CD ARG A 964 13.161 9.205 7.412 1.00 16.13 C
|
|
ATOM 278 NE ARG A 964 13.790 8.946 8.709 1.00 18.52 N
|
|
ATOM 279 CZ ARG A 964 15.095 8.886 8.939 1.00 21.13 C
|
|
ATOM 280 NH1 ARG A 964 15.988 9.052 7.960 1.00 23.08 N
|
|
ATOM 281 NH2 ARG A 964 15.506 8.633 10.165 1.00 23.86 N
|
|
ATOM 282 N SER A 965 12.179 5.935 3.882 1.00 16.02 N
|
|
ATOM 283 CA SER A 965 11.463 6.232 2.635 1.00 16.76 C
|
|
ATOM 284 C SER A 965 10.337 5.235 2.375 1.00 16.38 C
|
|
ATOM 285 O SER A 965 9.268 5.613 1.915 1.00 16.10 O
|
|
ATOM 286 CB SER A 965 12.414 6.288 1.441 1.00 16.78 C
|
|
ATOM 287 OG SER A 965 13.381 7.313 1.601 1.00 18.77 O
|
|
ATOM 288 N ILE A 966 10.565 3.960 2.688 1.00 16.68 N
|
|
ATOM 289 CA ILE A 966 9.520 2.951 2.545 1.00 16.83 C
|
|
ATOM 290 C ILE A 966 8.338 3.233 3.471 1.00 16.76 C
|
|
ATOM 291 O ILE A 966 7.189 3.230 3.043 1.00 17.67 O
|
|
ATOM 292 CB ILE A 966 10.076 1.522 2.751 1.00 17.17 C
|
|
ATOM 293 CG1 ILE A 966 11.063 1.174 1.616 1.00 17.80 C
|
|
ATOM 294 CG2 ILE A 966 8.929 0.499 2.906 1.00 16.81 C
|
|
ATOM 295 CD1 ILE A 966 11.973 -0.020 1.936 1.00 16.60 C
|
|
ATOM 296 N LEU A 967 8.635 3.533 4.731 1.00 17.19 N
|
|
ATOM 297 CA LEU A 967 7.627 3.764 5.731 1.00 17.32 C
|
|
ATOM 298 C LEU A 967 6.756 4.987 5.370 1.00 18.40 C
|
|
ATOM 299 O LEU A 967 5.510 4.943 5.494 1.00 17.81 O
|
|
ATOM 300 CB LEU A 967 8.310 3.930 7.092 1.00 17.93 C
|
|
ATOM 301 CG LEU A 967 8.896 2.623 7.660 1.00 17.63 C
|
|
ATOM 302 CD1 LEU A 967 9.919 2.883 8.805 1.00 14.10 C
|
|
ATOM 303 CD2 LEU A 967 7.760 1.644 8.073 1.00 17.92 C
|
|
ATOM 304 N ARG A 968 7.409 6.044 4.893 1.00 18.46 N
|
|
ATOM 305 CA ARG A 968 6.708 7.288 4.490 1.00 20.93 C
|
|
ATOM 306 C ARG A 968 5.846 7.060 3.263 1.00 21.84 C
|
|
ATOM 307 O ARG A 968 4.677 7.513 3.190 1.00 22.36 O
|
|
ATOM 308 CB ARG A 968 7.692 8.402 4.171 1.00 20.14 C
|
|
ATOM 309 CG ARG A 968 8.350 8.960 5.402 1.00 25.01 C
|
|
ATOM 310 CD ARG A 968 9.139 10.223 5.118 1.00 29.15 C
|
|
ATOM 311 NE ARG A 968 9.661 10.700 6.389 1.00 33.37 N
|
|
ATOM 312 CZ ARG A 968 10.520 11.700 6.566 1.00 32.20 C
|
|
ATOM 313 NH1 ARG A 968 10.908 12.008 7.804 1.00 27.89 N
|
|
ATOM 314 NH2 ARG A 968 10.985 12.375 5.523 1.00 33.89 N
|
|
ATOM 315 N GLU A 969 6.425 6.359 2.300 1.00 22.31 N
|
|
ATOM 316 CA GLU A 969 5.743 6.109 1.036 1.00 24.33 C
|
|
ATOM 317 C GLU A 969 4.463 5.289 1.207 1.00 24.53 C
|
|
ATOM 318 O GLU A 969 3.438 5.560 0.556 1.00 24.35 O
|
|
ATOM 319 CB GLU A 969 6.678 5.360 0.085 1.00 24.06 C
|
|
ATOM 320 CG GLU A 969 6.127 5.244 -1.347 1.00 29.10 C
|
|
ATOM 321 CD GLU A 969 6.044 6.577 -2.082 1.00 34.27 C
|
|
ATOM 322 OE1 GLU A 969 5.378 6.619 -3.129 1.00 39.51 O
|
|
ATOM 323 OE2 GLU A 969 6.639 7.578 -1.637 1.00 37.63 O
|
|
ATOM 324 N PHE A 970 4.525 4.273 2.052 1.00 24.55 N
|
|
ATOM 325 CA PHE A 970 3.456 3.286 2.101 1.00 25.97 C
|
|
ATOM 326 C PHE A 970 2.610 3.345 3.363 1.00 27.21 C
|
|
ATOM 327 O PHE A 970 1.783 2.479 3.595 1.00 26.50 O
|
|
ATOM 328 CB PHE A 970 4.023 1.890 1.831 1.00 26.09 C
|
|
ATOM 329 CG PHE A 970 4.629 1.769 0.463 1.00 26.16 C
|
|
ATOM 330 CD1 PHE A 970 3.808 1.628 -0.664 1.00 26.05 C
|
|
ATOM 331 CD2 PHE A 970 6.009 1.856 0.286 1.00 26.32 C
|
|
ATOM 332 CE1 PHE A 970 4.364 1.557 -1.939 1.00 24.95 C
|
|
ATOM 333 CE2 PHE A 970 6.577 1.763 -1.002 1.00 28.33 C
|
|
ATOM 334 CZ PHE A 970 5.745 1.613 -2.107 1.00 27.54 C
|
|
ATOM 335 N ALA A 971 2.812 4.398 4.158 1.00 29.22 N
|
|
ATOM 336 CA ALA A 971 1.981 4.693 5.334 1.00 30.95 C
|
|
ATOM 337 C ALA A 971 0.496 4.713 4.985 1.00 32.25 C
|
|
ATOM 338 O ALA A 971 0.099 5.245 3.938 1.00 32.15 O
|
|
ATOM 339 CB ALA A 971 2.394 6.027 5.952 1.00 30.98 C
|
|
ATOM 340 N PHE A 972 -0.302 4.096 5.858 1.00 33.86 N
|
|
ATOM 341 CA PHE A 972 -1.773 4.142 5.799 1.00 34.87 C
|
|
ATOM 342 C PHE A 972 -2.341 4.236 7.217 1.00 35.41 C
|
|
ATOM 343 O PHE A 972 -2.067 3.351 8.036 1.00 35.98 O
|
|
ATOM 344 CB PHE A 972 -2.356 2.909 5.090 1.00 35.34 C
|
|
ATOM 345 CG PHE A 972 -3.854 2.735 5.300 1.00 35.30 C
|
|
ATOM 346 CD1 PHE A 972 -4.354 1.620 5.991 1.00 36.88 C
|
|
ATOM 347 CD2 PHE A 972 -4.757 3.690 4.824 1.00 35.91 C
|
|
ATOM 348 CE1 PHE A 972 -5.755 1.436 6.202 1.00 36.25 C
|
|
ATOM 349 CE2 PHE A 972 -6.152 3.528 5.025 1.00 37.16 C
|
|
ATOM 350 CZ PHE A 972 -6.655 2.390 5.723 1.00 36.52 C
|
|
TER 351 PHE A 972
|
|
ATOM 352 N MET B 1 20.321 -9.325 38.937 1.00 15.91 N
|
|
ATOM 353 CA MET B 1 21.299 -9.028 37.853 1.00 16.40 C
|
|
ATOM 354 C MET B 1 20.905 -7.682 37.267 1.00 15.70 C
|
|
ATOM 355 O MET B 1 19.831 -7.153 37.582 1.00 16.27 O
|
|
ATOM 356 CB MET B 1 21.305 -10.119 36.761 1.00 16.69 C
|
|
ATOM 357 CG MET B 1 20.079 -10.100 35.815 1.00 17.98 C
|
|
ATOM 358 SD MET B 1 20.020 -11.386 34.565 1.00 19.50 S
|
|
ATOM 359 CE MET B 1 18.488 -11.049 33.684 1.00 17.01 C
|
|
ATOM 360 N GLN B 2 21.791 -7.106 36.469 1.00 14.74 N
|
|
ATOM 361 CA GLN B 2 21.512 -5.795 35.892 1.00 14.23 C
|
|
ATOM 362 C GLN B 2 21.237 -5.914 34.401 1.00 12.75 C
|
|
ATOM 363 O GLN B 2 21.849 -6.714 33.695 1.00 13.93 O
|
|
ATOM 364 CB GLN B 2 22.687 -4.843 36.133 1.00 14.95 C
|
|
ATOM 365 CG GLN B 2 22.796 -4.411 37.590 1.00 18.19 C
|
|
ATOM 366 CD GLN B 2 23.895 -3.378 37.781 1.00 22.13 C
|
|
ATOM 367 OE1 GLN B 2 24.858 -3.319 36.991 1.00 23.72 O
|
|
ATOM 368 NE2 GLN B 2 23.733 -2.534 38.778 1.00 24.57 N
|
|
ATOM 369 N ILE B 3 20.286 -5.118 33.931 1.00 12.78 N
|
|
ATOM 370 CA ILE B 3 20.130 -4.925 32.491 1.00 11.71 C
|
|
ATOM 371 C ILE B 3 20.059 -3.410 32.263 1.00 11.58 C
|
|
ATOM 372 O ILE B 3 19.826 -2.633 33.208 1.00 11.80 O
|
|
ATOM 373 CB ILE B 3 18.851 -5.654 31.903 1.00 11.23 C
|
|
ATOM 374 CG1 ILE B 3 17.584 -5.070 32.515 1.00 11.17 C
|
|
ATOM 375 CG2 ILE B 3 18.933 -7.205 32.098 1.00 9.27 C
|
|
ATOM 376 CD1 ILE B 3 16.283 -5.463 31.734 1.00 13.21 C
|
|
ATOM 377 N PHE B 4 20.244 -3.008 31.012 1.00 11.67 N
|
|
ATOM 378 CA PHE B 4 20.170 -1.599 30.620 1.00 12.26 C
|
|
ATOM 379 C PHE B 4 19.021 -1.347 29.680 1.00 11.72 C
|
|
ATOM 380 O PHE B 4 18.667 -2.199 28.896 1.00 12.11 O
|
|
ATOM 381 CB PHE B 4 21.488 -1.156 29.947 1.00 11.90 C
|
|
ATOM 382 CG PHE B 4 22.704 -1.530 30.759 1.00 12.69 C
|
|
ATOM 383 CD1 PHE B 4 23.541 -2.564 30.356 1.00 15.11 C
|
|
ATOM 384 CD2 PHE B 4 22.936 -0.902 31.981 1.00 15.48 C
|
|
ATOM 385 CE1 PHE B 4 24.653 -2.943 31.146 1.00 12.97 C
|
|
ATOM 386 CE2 PHE B 4 24.035 -1.287 32.798 1.00 15.06 C
|
|
ATOM 387 CZ PHE B 4 24.870 -2.308 32.372 1.00 12.98 C
|
|
ATOM 388 N VAL B 5 18.476 -0.141 29.757 1.00 12.97 N
|
|
ATOM 389 CA VAL B 5 17.427 0.305 28.835 1.00 12.93 C
|
|
ATOM 390 C VAL B 5 17.846 1.658 28.252 1.00 12.96 C
|
|
ATOM 391 O VAL B 5 18.009 2.625 28.978 1.00 14.02 O
|
|
ATOM 392 CB VAL B 5 16.040 0.423 29.538 1.00 13.18 C
|
|
ATOM 393 CG1 VAL B 5 14.976 0.899 28.508 1.00 13.28 C
|
|
ATOM 394 CG2 VAL B 5 15.622 -0.923 30.172 1.00 12.09 C
|
|
ATOM 395 N LYS B 6 18.068 1.675 26.947 1.00 12.80 N
|
|
ATOM 396 CA LYS B 6 18.452 2.871 26.195 1.00 14.00 C
|
|
ATOM 397 C LYS B 6 17.207 3.571 25.690 1.00 13.97 C
|
|
ATOM 398 O LYS B 6 16.349 2.923 25.088 1.00 12.79 O
|
|
ATOM 399 CB LYS B 6 19.285 2.428 25.005 1.00 13.69 C
|
|
ATOM 400 CG LYS B 6 19.708 3.496 24.002 1.00 20.23 C
|
|
ATOM 401 CD LYS B 6 20.974 2.989 23.329 1.00 29.71 C
|
|
ATOM 402 CE LYS B 6 21.015 3.192 21.783 1.00 31.41 C
|
|
ATOM 403 NZ LYS B 6 21.969 2.227 21.172 1.00 28.51 N
|
|
ATOM 404 N THR B 7 17.114 4.890 25.926 1.00 13.01 N
|
|
ATOM 405 CA THR B 7 15.955 5.683 25.458 1.00 13.24 C
|
|
ATOM 406 C THR B 7 16.374 6.496 24.228 1.00 13.62 C
|
|
ATOM 407 O THR B 7 17.570 6.659 23.974 1.00 13.94 O
|
|
ATOM 408 CB THR B 7 15.444 6.644 26.529 1.00 12.98 C
|
|
ATOM 409 OG1 THR B 7 16.372 7.736 26.633 1.00 14.88 O
|
|
ATOM 410 CG2 THR B 7 15.282 5.922 27.921 1.00 14.12 C
|
|
ATOM 411 N LEU B 8 15.407 7.033 23.483 1.00 13.25 N
|
|
ATOM 412 CA LEU B 8 15.754 7.760 22.274 1.00 15.24 C
|
|
ATOM 413 C LEU B 8 16.339 9.148 22.562 1.00 16.60 C
|
|
ATOM 414 O LEU B 8 16.873 9.799 21.653 1.00 15.75 O
|
|
ATOM 415 CB LEU B 8 14.545 7.870 21.332 1.00 14.86 C
|
|
ATOM 416 CG LEU B 8 14.107 6.528 20.732 1.00 15.58 C
|
|
ATOM 417 CD1 LEU B 8 12.753 6.631 20.075 1.00 17.48 C
|
|
ATOM 418 CD2 LEU B 8 15.161 6.117 19.698 1.00 16.07 C
|
|
ATOM 419 N THR B 9 16.202 9.602 23.805 1.00 18.43 N
|
|
ATOM 420 CA THR B 9 16.784 10.888 24.216 1.00 20.26 C
|
|
ATOM 421 C THR B 9 18.248 10.739 24.626 1.00 21.05 C
|
|
ATOM 422 O THR B 9 18.882 11.714 25.030 1.00 22.09 O
|
|
ATOM 423 CB THR B 9 15.991 11.564 25.345 1.00 20.11 C
|
|
ATOM 424 OG1 THR B 9 16.061 10.777 26.554 1.00 21.14 O
|
|
ATOM 425 CG2 THR B 9 14.558 11.751 24.910 1.00 19.69 C
|
|
ATOM 426 N GLY B 10 18.769 9.527 24.482 1.00 19.19 N
|
|
ATOM 427 CA GLY B 10 20.146 9.197 24.802 1.00 20.20 C
|
|
ATOM 428 C GLY B 10 20.370 8.687 26.216 1.00 19.93 C
|
|
ATOM 429 O GLY B 10 21.514 8.465 26.602 1.00 20.74 O
|
|
ATOM 430 N LYS B 11 19.306 8.554 27.019 1.00 18.89 N
|
|
ATOM 431 CA LYS B 11 19.500 8.068 28.399 1.00 19.18 C
|
|
ATOM 432 C LYS B 11 19.715 6.546 28.457 1.00 18.08 C
|
|
ATOM 433 O LYS B 11 19.099 5.819 27.671 1.00 18.04 O
|
|
ATOM 434 CB LYS B 11 18.351 8.474 29.346 1.00 19.46 C
|
|
ATOM 435 CG LYS B 11 18.521 7.807 30.728 1.00 24.05 C
|
|
ATOM 436 CD LYS B 11 17.949 8.515 31.931 1.00 31.27 C
|
|
ATOM 437 CE LYS B 11 18.931 8.427 33.159 1.00 33.41 C
|
|
ATOM 438 NZ LYS B 11 19.517 7.078 33.510 1.00 33.80 N
|
|
ATOM 439 N THR B 12 20.602 6.091 29.361 1.00 16.97 N
|
|
ATOM 440 CA THR B 12 20.765 4.664 29.717 1.00 16.20 C
|
|
ATOM 441 C THR B 12 20.286 4.452 31.164 1.00 16.98 C
|
|
ATOM 442 O THR B 12 20.892 4.972 32.132 1.00 17.54 O
|
|
ATOM 443 CB THR B 12 22.215 4.180 29.600 1.00 16.18 C
|
|
ATOM 444 OG1 THR B 12 22.655 4.288 28.241 1.00 15.87 O
|
|
ATOM 445 CG2 THR B 12 22.359 2.692 30.042 1.00 17.82 C
|
|
ATOM 446 N ILE B 13 19.191 3.713 31.301 1.00 15.35 N
|
|
ATOM 447 CA ILE B 13 18.602 3.373 32.594 1.00 15.55 C
|
|
ATOM 448 C ILE B 13 19.157 2.005 32.996 1.00 14.70 C
|
|
ATOM 449 O ILE B 13 19.183 1.108 32.173 1.00 13.51 O
|
|
ATOM 450 CB ILE B 13 17.055 3.271 32.470 1.00 15.31 C
|
|
ATOM 451 CG1 ILE B 13 16.469 4.570 31.870 1.00 17.04 C
|
|
ATOM 452 CG2 ILE B 13 16.414 2.926 33.820 1.00 16.42 C
|
|
ATOM 453 CD1 ILE B 13 15.091 4.425 31.274 1.00 19.50 C
|
|
ATOM 454 N THR B 14 19.614 1.861 34.237 1.00 13.93 N
|
|
ATOM 455 CA THR B 14 20.043 0.539 34.723 1.00 14.56 C
|
|
ATOM 456 C THR B 14 18.952 -0.013 35.627 1.00 14.87 C
|
|
ATOM 457 O THR B 14 18.435 0.696 36.510 1.00 15.34 O
|
|
ATOM 458 CB THR B 14 21.367 0.617 35.511 1.00 15.33 C
|
|
ATOM 459 OG1 THR B 14 22.364 1.190 34.676 1.00 14.53 O
|
|
ATOM 460 CG2 THR B 14 21.848 -0.795 35.914 1.00 15.54 C
|
|
ATOM 461 N LEU B 15 18.588 -1.275 35.408 1.00 13.90 N
|
|
ATOM 462 CA LEU B 15 17.535 -1.891 36.207 1.00 14.97 C
|
|
ATOM 463 C LEU B 15 18.125 -3.053 36.960 1.00 14.85 C
|
|
ATOM 464 O LEU B 15 19.019 -3.723 36.445 1.00 14.36 O
|
|
ATOM 465 CB LEU B 15 16.443 -2.420 35.279 1.00 14.12 C
|
|
ATOM 466 CG LEU B 15 15.231 -1.579 34.875 1.00 18.21 C
|
|
ATOM 467 CD1 LEU B 15 15.116 -0.048 35.311 1.00 13.78 C
|
|
ATOM 468 CD2 LEU B 15 14.719 -1.962 33.470 1.00 15.04 C
|
|
ATOM 469 N GLU B 16 17.585 -3.287 38.151 1.00 14.77 N
|
|
ATOM 470 CA GLU B 16 17.862 -4.469 38.966 1.00 16.25 C
|
|
ATOM 471 C GLU B 16 16.737 -5.492 38.754 1.00 16.07 C
|
|
ATOM 472 O GLU B 16 15.584 -5.227 39.081 1.00 17.13 O
|
|
ATOM 473 CB GLU B 16 17.880 -4.025 40.423 1.00 17.13 C
|
|
ATOM 474 CG GLU B 16 18.931 -4.662 41.287 1.00 23.20 C
|
|
ATOM 475 CD GLU B 16 20.347 -4.659 40.685 1.00 23.29 C
|
|
ATOM 476 OE1 GLU B 16 21.108 -3.625 40.657 1.00 25.58 O
|
|
ATOM 477 OE2 GLU B 16 20.690 -5.752 40.256 1.00 24.18 O
|
|
ATOM 478 N VAL B 17 17.066 -6.629 38.169 1.00 15.60 N
|
|
ATOM 479 CA VAL B 17 16.038 -7.594 37.731 1.00 15.51 C
|
|
ATOM 480 C VAL B 17 16.452 -9.035 38.048 1.00 16.38 C
|
|
ATOM 481 O VAL B 17 17.625 -9.301 38.332 1.00 17.00 O
|
|
ATOM 482 CB VAL B 17 15.721 -7.452 36.193 1.00 14.95 C
|
|
ATOM 483 CG1 VAL B 17 15.222 -6.034 35.841 1.00 13.62 C
|
|
ATOM 484 CG2 VAL B 17 16.950 -7.822 35.326 1.00 14.38 C
|
|
ATOM 485 N GLU B 18 15.497 -9.963 37.974 1.00 16.26 N
|
|
ATOM 486 CA GLU B 18 15.820 -11.380 37.980 1.00 17.82 C
|
|
ATOM 487 C GLU B 18 15.400 -11.942 36.640 1.00 17.52 C
|
|
ATOM 488 O GLU B 18 14.523 -11.365 36.004 1.00 16.89 O
|
|
ATOM 489 CB GLU B 18 15.067 -12.101 39.128 1.00 19.08 C
|
|
ATOM 490 CG GLU B 18 15.542 -11.721 40.530 1.00 23.64 C
|
|
ATOM 491 CD GLU B 18 17.028 -11.973 40.789 1.00 28.22 C
|
|
ATOM 492 OE1 GLU B 18 17.675 -12.767 40.078 1.00 34.41 O
|
|
ATOM 493 OE2 GLU B 18 17.567 -11.361 41.717 1.00 32.93 O
|
|
ATOM 494 N PRO B 19 16.000 -13.079 36.205 1.00 17.76 N
|
|
ATOM 495 CA PRO B 19 15.601 -13.705 34.948 1.00 17.64 C
|
|
ATOM 496 C PRO B 19 14.102 -13.986 34.845 1.00 16.53 C
|
|
ATOM 497 O PRO B 19 13.555 -13.923 33.755 1.00 16.64 O
|
|
ATOM 498 CB PRO B 19 16.400 -15.025 34.964 1.00 17.83 C
|
|
ATOM 499 CG PRO B 19 17.640 -14.650 35.706 1.00 20.25 C
|
|
ATOM 500 CD PRO B 19 17.104 -13.833 36.849 1.00 18.14 C
|
|
ATOM 501 N SER B 20 13.447 -14.260 35.975 1.00 16.01 N
|
|
ATOM 502 CA SER B 20 12.006 -14.581 36.005 1.00 16.35 C
|
|
ATOM 503 C SER B 20 11.091 -13.358 35.996 1.00 16.55 C
|
|
ATOM 504 O SER B 20 9.862 -13.504 35.968 1.00 15.67 O
|
|
ATOM 505 CB SER B 20 11.702 -15.445 37.259 1.00 16.18 C
|
|
ATOM 506 OG SER B 20 12.043 -14.709 38.434 1.00 16.54 O
|
|
ATOM 507 N ASP B 21 11.659 -12.144 36.052 1.00 16.21 N
|
|
ATOM 508 CA ASP B 21 10.830 -10.924 36.009 1.00 16.71 C
|
|
ATOM 509 C ASP B 21 10.072 -10.896 34.687 1.00 16.47 C
|
|
ATOM 510 O ASP B 21 10.676 -11.103 33.613 1.00 15.25 O
|
|
ATOM 511 CB ASP B 21 11.670 -9.626 36.155 1.00 16.96 C
|
|
ATOM 512 CG ASP B 21 12.139 -9.360 37.593 1.00 20.97 C
|
|
ATOM 513 OD1 ASP B 21 11.796 -10.126 38.511 1.00 25.48 O
|
|
ATOM 514 OD2 ASP B 21 12.862 -8.372 37.800 1.00 20.86 O
|
|
ATOM 515 N THR B 22 8.771 -10.611 34.767 1.00 16.43 N
|
|
ATOM 516 CA THR B 22 7.955 -10.412 33.564 1.00 16.21 C
|
|
ATOM 517 C THR B 22 8.250 -9.091 32.916 1.00 15.80 C
|
|
ATOM 518 O THR B 22 8.744 -8.196 33.574 1.00 14.79 O
|
|
ATOM 519 CB THR B 22 6.443 -10.454 33.847 1.00 17.05 C
|
|
ATOM 520 OG1 THR B 22 6.044 -9.344 34.666 1.00 17.18 O
|
|
ATOM 521 CG2 THR B 22 6.110 -11.763 34.518 1.00 19.08 C
|
|
ATOM 522 N ILE B 23 7.883 -8.953 31.642 1.00 14.89 N
|
|
ATOM 523 CA ILE B 23 8.051 -7.697 30.942 1.00 15.50 C
|
|
ATOM 524 C ILE B 23 7.244 -6.592 31.655 1.00 15.93 C
|
|
ATOM 525 O ILE B 23 7.703 -5.453 31.758 1.00 15.88 O
|
|
ATOM 526 CB ILE B 23 7.691 -7.825 29.446 1.00 15.10 C
|
|
ATOM 527 CG1 ILE B 23 8.600 -8.868 28.757 1.00 15.06 C
|
|
ATOM 528 CG2 ILE B 23 7.818 -6.463 28.726 1.00 16.29 C
|
|
ATOM 529 CD1 ILE B 23 10.102 -8.661 29.000 1.00 15.53 C
|
|
ATOM 530 N GLU B 24 6.063 -6.930 32.170 1.00 15.42 N
|
|
ATOM 531 CA GLU B 24 5.291 -5.936 32.917 1.00 17.03 C
|
|
ATOM 532 C GLU B 24 6.033 -5.475 34.183 1.00 16.28 C
|
|
ATOM 533 O GLU B 24 6.012 -4.289 34.507 1.00 16.62 O
|
|
ATOM 534 CB GLU B 24 3.891 -6.472 33.265 1.00 17.92 C
|
|
ATOM 535 CG GLU B 24 2.949 -5.431 33.925 1.00 23.25 C
|
|
ATOM 536 CD GLU B 24 2.451 -4.325 32.966 1.00 26.62 C
|
|
ATOM 537 OE1 GLU B 24 2.527 -4.438 31.729 1.00 29.92 O
|
|
ATOM 538 OE2 GLU B 24 1.962 -3.307 33.467 1.00 30.11 O
|
|
ATOM 539 N ASN B 25 6.655 -6.409 34.899 1.00 16.22 N
|
|
ATOM 540 CA ASN B 25 7.526 -6.083 36.031 1.00 16.41 C
|
|
ATOM 541 C ASN B 25 8.602 -5.061 35.587 1.00 15.60 C
|
|
ATOM 542 O ASN B 25 8.905 -4.097 36.306 1.00 15.08 O
|
|
ATOM 543 CB ASN B 25 8.282 -7.327 36.564 1.00 16.96 C
|
|
ATOM 544 CG ASN B 25 7.413 -8.334 37.363 1.00 21.32 C
|
|
ATOM 545 OD1 ASN B 25 7.842 -9.512 37.609 1.00 22.35 O
|
|
ATOM 546 ND2 ASN B 25 6.232 -7.910 37.773 1.00 21.97 N
|
|
ATOM 547 N VAL B 26 9.227 -5.328 34.436 1.00 14.67 N
|
|
ATOM 548 CA VAL B 26 10.305 -4.467 33.933 1.00 14.54 C
|
|
ATOM 549 C VAL B 26 9.775 -3.046 33.646 1.00 15.03 C
|
|
ATOM 550 O VAL B 26 10.411 -2.029 33.993 1.00 14.94 O
|
|
ATOM 551 CB VAL B 26 10.979 -5.095 32.701 1.00 14.22 C
|
|
ATOM 552 CG1 VAL B 26 11.804 -4.071 31.936 1.00 15.08 C
|
|
ATOM 553 CG2 VAL B 26 11.841 -6.296 33.129 1.00 15.55 C
|
|
ATOM 554 N LYS B 27 8.605 -2.991 33.020 1.00 14.54 N
|
|
ATOM 555 CA LYS B 27 7.909 -1.722 32.764 1.00 14.54 C
|
|
ATOM 556 C LYS B 27 7.617 -0.940 34.046 1.00 15.23 C
|
|
ATOM 557 O LYS B 27 7.796 0.282 34.094 1.00 15.55 O
|
|
ATOM 558 CB LYS B 27 6.620 -2.007 31.995 1.00 15.49 C
|
|
ATOM 559 CG LYS B 27 6.895 -2.394 30.518 1.00 14.74 C
|
|
ATOM 560 CD LYS B 27 5.561 -2.647 29.710 1.00 14.76 C
|
|
ATOM 561 CE LYS B 27 5.846 -3.019 28.255 1.00 15.49 C
|
|
ATOM 562 NZ LYS B 27 4.525 -2.903 27.576 1.00 21.95 N
|
|
ATOM 563 N ALA B 28 7.185 -1.660 35.081 1.00 14.94 N
|
|
ATOM 564 CA ALA B 28 6.938 -1.087 36.411 1.00 15.55 C
|
|
ATOM 565 C ALA B 28 8.223 -0.495 37.024 1.00 15.22 C
|
|
ATOM 566 O ALA B 28 8.191 0.585 37.606 1.00 15.26 O
|
|
ATOM 567 CB ALA B 28 6.317 -2.161 37.330 1.00 16.07 C
|
|
ATOM 568 N LYS B 29 9.342 -1.204 36.892 1.00 14.81 N
|
|
ATOM 569 CA LYS B 29 10.652 -0.682 37.334 1.00 14.63 C
|
|
ATOM 570 C LYS B 29 11.085 0.565 36.579 1.00 15.05 C
|
|
ATOM 571 O LYS B 29 11.622 1.500 37.157 1.00 14.93 O
|
|
ATOM 572 CB LYS B 29 11.731 -1.764 37.181 1.00 14.83 C
|
|
ATOM 573 CG LYS B 29 11.565 -2.939 38.133 1.00 15.17 C
|
|
ATOM 574 CD LYS B 29 12.550 -4.041 37.802 1.00 17.16 C
|
|
ATOM 575 CE LYS B 29 12.213 -5.304 38.547 1.00 20.24 C
|
|
ATOM 576 NZ LYS B 29 12.605 -5.104 39.938 1.00 23.73 N
|
|
ATOM 577 N ILE B 30 10.886 0.573 35.270 1.00 15.34 N
|
|
ATOM 578 CA ILE B 30 11.157 1.768 34.476 1.00 15.65 C
|
|
ATOM 579 C ILE B 30 10.274 2.938 34.931 1.00 17.37 C
|
|
ATOM 580 O ILE B 30 10.749 4.083 35.077 1.00 18.37 O
|
|
ATOM 581 CB ILE B 30 10.946 1.490 32.980 1.00 15.67 C
|
|
ATOM 582 CG1 ILE B 30 11.958 0.455 32.485 1.00 15.70 C
|
|
ATOM 583 CG2 ILE B 30 11.060 2.804 32.162 1.00 15.16 C
|
|
ATOM 584 CD1 ILE B 30 11.792 0.123 31.004 1.00 11.25 C
|
|
ATOM 585 N GLN B 31 9.004 2.663 35.178 1.00 18.29 N
|
|
ATOM 586 CA GLN B 31 8.119 3.688 35.755 1.00 20.51 C
|
|
ATOM 587 C GLN B 31 8.627 4.220 37.100 1.00 21.50 C
|
|
ATOM 588 O GLN B 31 8.598 5.417 37.319 1.00 21.57 O
|
|
ATOM 589 CB GLN B 31 6.713 3.131 35.943 1.00 20.55 C
|
|
ATOM 590 CG GLN B 31 5.721 4.104 36.593 1.00 22.20 C
|
|
ATOM 591 CD GLN B 31 4.377 3.475 36.784 1.00 22.00 C
|
|
ATOM 592 OE1 GLN B 31 4.271 2.268 36.997 1.00 26.92 O
|
|
ATOM 593 NE2 GLN B 31 3.329 4.275 36.685 1.00 23.37 N
|
|
ATOM 594 N ASP B 32 9.039 3.329 38.004 1.00 22.74 N
|
|
ATOM 595 CA ASP B 32 9.551 3.744 39.332 1.00 25.02 C
|
|
ATOM 596 C ASP B 32 10.720 4.673 39.203 1.00 26.50 C
|
|
ATOM 597 O ASP B 32 10.798 5.683 39.902 1.00 26.87 O
|
|
ATOM 598 CB ASP B 32 9.944 2.548 40.191 1.00 25.21 C
|
|
ATOM 599 CG ASP B 32 8.746 1.744 40.632 1.00 26.49 C
|
|
ATOM 600 OD1 ASP B 32 8.930 0.636 41.159 1.00 28.74 O
|
|
ATOM 601 OD2 ASP B 32 7.607 2.221 40.446 1.00 28.32 O
|
|
ATOM 602 N LYS B 33 11.632 4.380 38.292 1.00 28.14 N
|
|
ATOM 603 CA LYS B 33 12.768 5.278 38.214 1.00 30.00 C
|
|
ATOM 604 C LYS B 33 12.706 6.460 37.225 1.00 30.34 C
|
|
ATOM 605 O LYS B 33 13.441 7.432 37.409 1.00 30.91 O
|
|
ATOM 606 CB LYS B 33 14.088 4.523 38.217 1.00 30.67 C
|
|
ATOM 607 CG LYS B 33 14.464 3.806 36.989 1.00 31.19 C
|
|
ATOM 608 CD LYS B 33 15.953 3.581 37.087 1.00 32.07 C
|
|
ATOM 609 CE LYS B 33 16.342 2.813 38.335 1.00 31.66 C
|
|
ATOM 610 NZ LYS B 33 17.812 2.883 38.485 1.00 31.25 N
|
|
ATOM 611 N GLU B 34 11.787 6.414 36.262 1.00 30.72 N
|
|
ATOM 612 CA GLU B 34 11.649 7.453 35.240 1.00 31.62 C
|
|
ATOM 613 C GLU B 34 10.294 8.164 35.125 1.00 31.65 C
|
|
ATOM 614 O GLU B 34 10.196 9.194 34.462 1.00 32.00 O
|
|
ATOM 615 CB GLU B 34 12.047 6.886 33.867 1.00 32.17 C
|
|
ATOM 616 CG GLU B 34 13.501 6.419 33.817 1.00 32.97 C
|
|
ATOM 617 CD GLU B 34 14.459 7.569 33.652 1.00 37.21 C
|
|
ATOM 618 OE1 GLU B 34 14.128 8.471 32.841 1.00 38.91 O
|
|
ATOM 619 OE2 GLU B 34 15.519 7.586 34.331 1.00 37.72 O
|
|
ATOM 620 N GLY B 35 9.245 7.618 35.727 1.00 31.32 N
|
|
ATOM 621 CA GLY B 35 7.917 8.229 35.617 1.00 31.36 C
|
|
ATOM 622 C GLY B 35 7.029 7.882 34.430 1.00 31.77 C
|
|
ATOM 623 O GLY B 35 5.921 8.424 34.301 1.00 32.59 O
|
|
ATOM 624 N ILE B 36 7.478 6.972 33.564 1.00 31.04 N
|
|
ATOM 625 CA ILE B 36 6.678 6.585 32.409 1.00 30.20 C
|
|
ATOM 626 C ILE B 36 5.754 5.436 32.767 1.00 29.37 C
|
|
ATOM 627 O ILE B 36 6.252 4.397 33.197 1.00 29.40 O
|
|
ATOM 628 CB ILE B 36 7.576 6.132 31.218 1.00 30.44 C
|
|
ATOM 629 CG1 ILE B 36 8.696 7.150 30.982 1.00 31.04 C
|
|
ATOM 630 CG2 ILE B 36 6.702 5.904 29.954 1.00 29.85 C
|
|
ATOM 631 CD1 ILE B 36 10.019 6.576 30.547 1.00 30.80 C
|
|
ATOM 632 N PRO B 37 4.419 5.603 32.567 1.00 28.29 N
|
|
ATOM 633 CA PRO B 37 3.463 4.528 32.750 1.00 27.75 C
|
|
ATOM 634 C PRO B 37 3.795 3.353 31.832 1.00 26.72 C
|
|
ATOM 635 O PRO B 37 4.243 3.579 30.699 1.00 25.06 O
|
|
ATOM 636 CB PRO B 37 2.131 5.160 32.341 1.00 27.98 C
|
|
ATOM 637 CG PRO B 37 2.349 6.638 32.572 1.00 29.61 C
|
|
ATOM 638 CD PRO B 37 3.748 6.847 32.141 1.00 29.11 C
|
|
ATOM 639 N PRO B 38 3.630 2.112 32.343 1.00 26.76 N
|
|
ATOM 640 CA PRO B 38 3.782 0.895 31.552 1.00 27.16 C
|
|
ATOM 641 C PRO B 38 3.072 0.916 30.191 1.00 28.28 C
|
|
ATOM 642 O PRO B 38 3.617 0.388 29.233 1.00 28.29 O
|
|
ATOM 643 CB PRO B 38 3.233 -0.182 32.477 1.00 27.53 C
|
|
ATOM 644 CG PRO B 38 3.655 0.308 33.833 1.00 27.04 C
|
|
ATOM 645 CD PRO B 38 3.378 1.796 33.767 1.00 26.73 C
|
|
ATOM 646 N ASP B 39 1.892 1.534 30.082 1.00 29.12 N
|
|
ATOM 647 CA ASP B 39 1.203 1.526 28.784 1.00 29.42 C
|
|
ATOM 648 C ASP B 39 1.763 2.486 27.734 1.00 28.73 C
|
|
ATOM 649 O ASP B 39 1.391 2.397 26.552 1.00 30.24 O
|
|
ATOM 650 CB ASP B 39 -0.316 1.689 28.901 1.00 30.44 C
|
|
ATOM 651 CG ASP B 39 -0.711 2.815 29.777 1.00 31.39 C
|
|
ATOM 652 OD1 ASP B 39 -1.710 2.618 30.475 1.00 34.65 O
|
|
ATOM 653 OD2 ASP B 39 -0.037 3.874 29.804 1.00 33.73 O
|
|
ATOM 654 N GLN B 40 2.624 3.407 28.143 1.00 27.04 N
|
|
ATOM 655 CA GLN B 40 3.356 4.207 27.169 1.00 25.59 C
|
|
ATOM 656 C GLN B 40 4.691 3.622 26.712 1.00 22.77 C
|
|
ATOM 657 O GLN B 40 5.397 4.256 25.942 1.00 21.80 O
|
|
ATOM 658 CB GLN B 40 3.539 5.623 27.659 1.00 26.47 C
|
|
ATOM 659 CG GLN B 40 2.194 6.356 27.593 1.00 30.34 C
|
|
ATOM 660 CD GLN B 40 2.044 7.350 28.667 1.00 33.09 C
|
|
ATOM 661 OE1 GLN B 40 0.974 7.437 29.300 1.00 38.76 O
|
|
ATOM 662 NE2 GLN B 40 3.100 8.128 28.908 1.00 34.76 N
|
|
ATOM 663 N GLN B 41 5.010 2.422 27.169 1.00 18.59 N
|
|
ATOM 664 CA GLN B 41 6.344 1.873 26.962 1.00 16.63 C
|
|
ATOM 665 C GLN B 41 6.296 0.780 25.884 1.00 16.44 C
|
|
ATOM 666 O GLN B 41 5.459 -0.128 25.926 1.00 17.03 O
|
|
ATOM 667 CB GLN B 41 6.861 1.288 28.272 1.00 15.78 C
|
|
ATOM 668 CG GLN B 41 7.216 2.349 29.341 1.00 14.03 C
|
|
ATOM 669 CD GLN B 41 7.708 1.710 30.597 1.00 17.41 C
|
|
ATOM 670 OE1 GLN B 41 8.464 0.736 30.554 1.00 14.32 O
|
|
ATOM 671 NE2 GLN B 41 7.260 2.236 31.749 1.00 16.33 N
|
|
ATOM 672 N ARG B 42 7.201 0.852 24.926 1.00 16.11 N
|
|
ATOM 673 CA ARG B 42 7.443 -0.316 24.072 1.00 15.66 C
|
|
ATOM 674 C ARG B 42 8.908 -0.692 24.229 1.00 15.54 C
|
|
ATOM 675 O ARG B 42 9.776 0.192 24.132 1.00 14.66 O
|
|
ATOM 676 CB ARG B 42 7.139 0.019 22.624 1.00 17.32 C
|
|
ATOM 677 CG ARG B 42 5.684 0.346 22.378 1.00 21.67 C
|
|
ATOM 678 CD ARG B 42 4.786 -0.854 22.733 1.00 26.53 C
|
|
ATOM 679 NE ARG B 42 3.425 -0.485 22.379 1.00 33.24 N
|
|
ATOM 680 CZ ARG B 42 2.576 0.130 23.197 1.00 35.30 C
|
|
ATOM 681 NH1 ARG B 42 2.911 0.411 24.452 1.00 36.06 N
|
|
ATOM 682 NH2 ARG B 42 1.381 0.468 22.743 1.00 38.14 N
|
|
ATOM 683 N LEU B 43 9.175 -1.975 24.485 1.00 14.42 N
|
|
ATOM 684 CA LEU B 43 10.552 -2.492 24.637 1.00 13.08 C
|
|
ATOM 685 C LEU B 43 10.942 -3.463 23.511 1.00 14.56 C
|
|
ATOM 686 O LEU B 43 10.197 -4.406 23.174 1.00 15.26 O
|
|
ATOM 687 CB LEU B 43 10.703 -3.138 26.018 1.00 13.28 C
|
|
ATOM 688 CG LEU B 43 10.553 -2.228 27.258 1.00 11.40 C
|
|
ATOM 689 CD1 LEU B 43 10.383 -3.118 28.538 1.00 11.57 C
|
|
ATOM 690 CD2 LEU B 43 11.809 -1.326 27.362 1.00 12.18 C
|
|
ATOM 691 N ILE B 44 12.116 -3.226 22.950 1.00 14.10 N
|
|
ATOM 692 CA ILE B 44 12.657 -3.927 21.798 1.00 15.53 C
|
|
ATOM 693 C ILE B 44 13.939 -4.626 22.266 1.00 14.99 C
|
|
ATOM 694 O ILE B 44 14.827 -3.998 22.850 1.00 14.40 O
|
|
ATOM 695 CB ILE B 44 13.020 -2.926 20.653 1.00 15.41 C
|
|
ATOM 696 CG1 ILE B 44 11.792 -2.097 20.236 1.00 17.78 C
|
|
ATOM 697 CG2 ILE B 44 13.679 -3.612 19.426 1.00 16.49 C
|
|
ATOM 698 CD1 ILE B 44 10.537 -2.943 19.936 1.00 16.67 C
|
|
ATOM 699 N PHE B 45 14.049 -5.907 21.977 1.00 14.59 N
|
|
ATOM 700 CA PHE B 45 15.312 -6.597 22.180 1.00 15.95 C
|
|
ATOM 701 C PHE B 45 15.434 -7.694 21.147 1.00 15.76 C
|
|
ATOM 702 O PHE B 45 14.484 -8.479 20.929 1.00 16.96 O
|
|
ATOM 703 CB PHE B 45 15.438 -7.165 23.609 1.00 16.29 C
|
|
ATOM 704 CG PHE B 45 16.732 -7.938 23.858 1.00 17.30 C
|
|
ATOM 705 CD1 PHE B 45 17.930 -7.265 24.073 1.00 16.45 C
|
|
ATOM 706 CD2 PHE B 45 16.740 -9.343 23.825 1.00 18.21 C
|
|
ATOM 707 CE1 PHE B 45 19.132 -7.972 24.295 1.00 18.52 C
|
|
ATOM 708 CE2 PHE B 45 17.926 -10.054 24.048 1.00 21.91 C
|
|
ATOM 709 CZ PHE B 45 19.125 -9.370 24.266 1.00 19.60 C
|
|
ATOM 710 N ALA B 46 16.586 -7.716 20.494 1.00 16.30 N
|
|
ATOM 711 CA ALA B 46 16.955 -8.778 19.550 1.00 17.28 C
|
|
ATOM 712 C ALA B 46 15.897 -8.954 18.449 1.00 17.99 C
|
|
ATOM 713 O ALA B 46 15.427 -10.078 18.167 1.00 18.58 O
|
|
ATOM 714 CB ALA B 46 17.205 -10.078 20.321 1.00 17.19 C
|
|
ATOM 715 N GLY B 47 15.514 -7.831 17.833 1.00 17.29 N
|
|
ATOM 716 CA GLY B 47 14.511 -7.808 16.754 1.00 17.86 C
|
|
ATOM 717 C GLY B 47 13.097 -8.229 17.153 1.00 17.41 C
|
|
ATOM 718 O GLY B 47 12.301 -8.620 16.297 1.00 18.26 O
|
|
ATOM 719 N LYS B 48 12.793 -8.177 18.445 1.00 17.51 N
|
|
ATOM 720 CA LYS B 48 11.472 -8.524 18.963 1.00 18.45 C
|
|
ATOM 721 C LYS B 48 10.888 -7.429 19.844 1.00 19.17 C
|
|
ATOM 722 O LYS B 48 11.634 -6.705 20.532 1.00 18.35 O
|
|
ATOM 723 CB LYS B 48 11.531 -9.830 19.756 1.00 19.20 C
|
|
ATOM 724 CG LYS B 48 11.712 -11.093 18.899 1.00 20.13 C
|
|
ATOM 725 CD LYS B 48 12.024 -12.281 19.801 1.00 24.25 C
|
|
ATOM 726 CE LYS B 48 13.317 -12.025 20.563 1.00 27.33 C
|
|
ATOM 727 NZ LYS B 48 14.511 -12.343 19.708 1.00 30.69 N
|
|
ATOM 728 N GLN B 49 9.564 -7.284 19.806 1.00 18.99 N
|
|
ATOM 729 CA GLN B 49 8.897 -6.375 20.719 1.00 20.14 C
|
|
ATOM 730 C GLN B 49 8.431 -7.235 21.895 1.00 20.60 C
|
|
ATOM 731 O GLN B 49 7.759 -8.245 21.713 1.00 21.08 O
|
|
ATOM 732 CB GLN B 49 7.737 -5.635 20.039 1.00 20.15 C
|
|
ATOM 733 CG GLN B 49 7.228 -4.434 20.869 1.00 22.50 C
|
|
ATOM 734 CD GLN B 49 6.088 -3.708 20.192 1.00 22.28 C
|
|
ATOM 735 OE1 GLN B 49 5.001 -4.284 19.992 1.00 30.17 O
|
|
ATOM 736 NE2 GLN B 49 6.304 -2.449 19.845 1.00 19.72 N
|
|
ATOM 737 N LEU B 50 8.815 -6.849 23.101 1.00 19.44 N
|
|
ATOM 738 CA LEU B 50 8.647 -7.704 24.277 1.00 19.67 C
|
|
ATOM 739 C LEU B 50 7.212 -7.659 24.809 1.00 20.08 C
|
|
ATOM 740 O LEU B 50 6.690 -6.594 25.055 1.00 19.17 O
|
|
ATOM 741 CB LEU B 50 9.649 -7.300 25.367 1.00 17.99 C
|
|
ATOM 742 CG LEU B 50 11.093 -7.247 24.870 1.00 18.50 C
|
|
ATOM 743 CD1 LEU B 50 12.069 -6.950 26.045 1.00 17.08 C
|
|
ATOM 744 CD2 LEU B 50 11.521 -8.499 24.100 1.00 19.32 C
|
|
ATOM 745 N GLU B 51 6.612 -8.835 25.008 1.00 20.34 N
|
|
ATOM 746 CA GLU B 51 5.221 -8.965 25.481 1.00 21.72 C
|
|
ATOM 747 C GLU B 51 5.084 -9.063 27.004 1.00 22.57 C
|
|
ATOM 748 O GLU B 51 5.860 -9.760 27.658 1.00 22.17 O
|
|
ATOM 749 CB GLU B 51 4.576 -10.210 24.853 1.00 21.60 C
|
|
ATOM 750 CG GLU B 51 4.343 -10.091 23.396 1.00 24.66 C
|
|
ATOM 751 CD GLU B 51 3.899 -11.422 22.782 1.00 30.94 C
|
|
ATOM 752 OE1 GLU B 51 3.330 -12.273 23.522 1.00 30.67 O
|
|
ATOM 753 OE2 GLU B 51 4.147 -11.603 21.574 1.00 33.57 O
|
|
ATOM 754 N ASP B 52 4.046 -8.427 27.551 1.00 23.58 N
|
|
ATOM 755 CA ASP B 52 3.909 -8.196 29.013 1.00 24.76 C
|
|
ATOM 756 C ASP B 52 3.977 -9.415 29.917 1.00 24.35 C
|
|
ATOM 757 O ASP B 52 4.549 -9.329 31.009 1.00 23.01 O
|
|
ATOM 758 CB ASP B 52 2.578 -7.550 29.334 1.00 26.18 C
|
|
ATOM 759 CG ASP B 52 2.565 -6.071 29.097 1.00 28.70 C
|
|
ATOM 760 OD1 ASP B 52 1.466 -5.540 29.270 1.00 33.62 O
|
|
ATOM 761 OD2 ASP B 52 3.599 -5.438 28.745 1.00 32.48 O
|
|
ATOM 762 N GLY B 53 3.332 -10.516 29.508 1.00 23.26 N
|
|
ATOM 763 CA GLY B 53 3.204 -11.677 30.401 1.00 23.37 C
|
|
ATOM 764 C GLY B 53 4.368 -12.642 30.378 1.00 23.32 C
|
|
ATOM 765 O GLY B 53 4.415 -13.588 31.188 1.00 24.92 O
|
|
ATOM 766 N ARG B 54 5.309 -12.414 29.459 1.00 21.54 N
|
|
ATOM 767 CA ARG B 54 6.501 -13.259 29.294 1.00 19.86 C
|
|
ATOM 768 C ARG B 54 7.608 -12.678 30.153 1.00 19.28 C
|
|
ATOM 769 O ARG B 54 7.490 -11.541 30.628 1.00 19.24 O
|
|
ATOM 770 CB ARG B 54 6.943 -13.275 27.831 1.00 20.00 C
|
|
ATOM 771 CG ARG B 54 5.771 -13.569 26.903 1.00 23.44 C
|
|
ATOM 772 CD ARG B 54 6.116 -14.363 25.709 1.00 24.41 C
|
|
ATOM 773 NE ARG B 54 4.941 -14.451 24.839 1.00 28.73 N
|
|
ATOM 774 CZ ARG B 54 4.102 -15.480 24.788 1.00 29.09 C
|
|
ATOM 775 NH1 ARG B 54 3.070 -15.436 23.949 1.00 29.99 N
|
|
ATOM 776 NH2 ARG B 54 4.283 -16.551 25.561 1.00 29.67 N
|
|
ATOM 777 N THR B 55 8.657 -13.450 30.369 1.00 17.51 N
|
|
ATOM 778 CA THR B 55 9.722 -13.024 31.270 1.00 16.43 C
|
|
ATOM 779 C THR B 55 10.960 -12.647 30.477 1.00 15.25 C
|
|
ATOM 780 O THR B 55 11.051 -12.931 29.282 1.00 15.23 O
|
|
ATOM 781 CB THR B 55 10.101 -14.118 32.226 1.00 15.82 C
|
|
ATOM 782 OG1 THR B 55 10.629 -15.210 31.461 1.00 17.34 O
|
|
ATOM 783 CG2 THR B 55 8.832 -14.591 33.020 1.00 18.65 C
|
|
ATOM 784 N LEU B 56 11.920 -12.012 31.146 1.00 14.38 N
|
|
ATOM 785 CA LEU B 56 13.206 -11.703 30.486 1.00 13.29 C
|
|
ATOM 786 C LEU B 56 13.842 -12.960 29.914 1.00 13.81 C
|
|
ATOM 787 O LEU B 56 14.292 -12.961 28.762 1.00 13.68 O
|
|
ATOM 788 CB LEU B 56 14.146 -11.035 31.477 1.00 12.80 C
|
|
ATOM 789 CG LEU B 56 13.695 -9.650 31.940 1.00 14.86 C
|
|
ATOM 790 CD1 LEU B 56 14.649 -9.263 33.090 1.00 13.74 C
|
|
ATOM 791 CD2 LEU B 56 13.817 -8.641 30.797 1.00 14.17 C
|
|
ATOM 792 N SER B 57 13.838 -14.043 30.709 1.00 13.54 N
|
|
ATOM 793 CA SER B 57 14.412 -15.299 30.300 1.00 15.80 C
|
|
ATOM 794 C SER B 57 13.737 -15.922 29.076 1.00 15.57 C
|
|
ATOM 795 O SER B 57 14.411 -16.543 28.275 1.00 16.68 O
|
|
ATOM 796 CB SER B 57 14.465 -16.280 31.481 1.00 16.71 C
|
|
ATOM 797 OG SER B 57 15.429 -15.800 32.423 1.00 21.58 O
|
|
ATOM 798 N ASP B 58 12.435 -15.713 28.912 1.00 14.80 N
|
|
ATOM 799 CA ASP B 58 11.730 -16.232 27.721 1.00 15.95 C
|
|
ATOM 800 C ASP B 58 12.318 -15.650 26.427 1.00 16.24 C
|
|
ATOM 801 O ASP B 58 12.256 -16.276 25.365 1.00 15.94 O
|
|
ATOM 802 CB ASP B 58 10.253 -15.909 27.796 1.00 14.27 C
|
|
ATOM 803 CG ASP B 58 9.511 -16.729 28.865 1.00 16.32 C
|
|
ATOM 804 OD1 ASP B 58 8.463 -16.253 29.282 1.00 17.61 O
|
|
ATOM 805 OD2 ASP B 58 9.965 -17.807 29.300 1.00 16.01 O
|
|
ATOM 806 N TYR B 59 12.901 -14.454 26.541 1.00 16.79 N
|
|
ATOM 807 CA TYR B 59 13.594 -13.794 25.419 1.00 17.79 C
|
|
ATOM 808 C TYR B 59 15.113 -13.944 25.443 1.00 18.93 C
|
|
ATOM 809 O TYR B 59 15.811 -13.218 24.715 1.00 20.93 O
|
|
ATOM 810 CB TYR B 59 13.237 -12.316 25.417 1.00 17.79 C
|
|
ATOM 811 CG TYR B 59 11.780 -12.078 25.121 1.00 16.31 C
|
|
ATOM 812 CD1 TYR B 59 10.899 -11.678 26.108 1.00 17.56 C
|
|
ATOM 813 CD2 TYR B 59 11.294 -12.240 23.835 1.00 16.66 C
|
|
ATOM 814 CE1 TYR B 59 9.551 -11.461 25.821 1.00 16.84 C
|
|
ATOM 815 CE2 TYR B 59 9.925 -12.056 23.534 1.00 16.51 C
|
|
ATOM 816 CZ TYR B 59 9.075 -11.659 24.540 1.00 17.97 C
|
|
ATOM 817 OH TYR B 59 7.755 -11.434 24.231 1.00 18.36 O
|
|
ATOM 818 N ASN B 60 15.628 -14.868 26.250 1.00 18.82 N
|
|
ATOM 819 CA ASN B 60 17.072 -15.090 26.398 1.00 19.89 C
|
|
ATOM 820 C ASN B 60 17.818 -13.767 26.714 1.00 19.88 C
|
|
ATOM 821 O ASN B 60 18.980 -13.540 26.302 1.00 21.50 O
|
|
ATOM 822 CB ASN B 60 17.637 -15.829 25.175 1.00 20.49 C
|
|
ATOM 823 CG ASN B 60 18.622 -16.932 25.548 1.00 25.38 C
|
|
ATOM 824 OD1 ASN B 60 19.299 -17.489 24.680 1.00 30.47 O
|
|
ATOM 825 ND2 ASN B 60 18.740 -17.229 26.845 1.00 27.83 N
|
|
ATOM 826 N ILE B 61 17.130 -12.880 27.428 1.00 18.78 N
|
|
ATOM 827 CA ILE B 61 17.738 -11.650 27.962 1.00 17.96 C
|
|
ATOM 828 C ILE B 61 18.584 -12.006 29.198 1.00 18.30 C
|
|
ATOM 829 O ILE B 61 18.084 -12.504 30.202 1.00 17.90 O
|
|
ATOM 830 CB ILE B 61 16.674 -10.605 28.274 1.00 17.14 C
|
|
ATOM 831 CG1 ILE B 61 15.984 -10.131 26.990 1.00 18.25 C
|
|
ATOM 832 CG2 ILE B 61 17.239 -9.383 29.018 1.00 16.21 C
|
|
ATOM 833 CD1 ILE B 61 14.724 -9.337 27.289 1.00 16.05 C
|
|
ATOM 834 N GLN B 62 19.889 -11.782 29.095 1.00 19.14 N
|
|
ATOM 835 CA GLN B 62 20.822 -12.162 30.141 1.00 19.96 C
|
|
ATOM 836 C GLN B 62 21.397 -10.917 30.822 1.00 17.75 C
|
|
ATOM 837 O GLN B 62 21.132 -9.801 30.382 1.00 17.73 O
|
|
ATOM 838 CB GLN B 62 21.921 -13.074 29.546 1.00 19.98 C
|
|
ATOM 839 CG GLN B 62 21.415 -14.518 29.228 1.00 24.03 C
|
|
ATOM 840 CD GLN B 62 22.538 -15.566 29.017 1.00 25.39 C
|
|
ATOM 841 OE1 GLN B 62 22.495 -16.337 28.058 1.00 34.54 O
|
|
ATOM 842 NE2 GLN B 62 23.506 -15.627 29.939 1.00 32.07 N
|
|
ATOM 843 N LYS B 63 22.202 -11.103 31.873 1.00 15.63 N
|
|
ATOM 844 CA LYS B 63 22.872 -9.981 32.531 1.00 15.57 C
|
|
ATOM 845 C LYS B 63 23.594 -9.072 31.533 1.00 13.49 C
|
|
ATOM 846 O LYS B 63 24.193 -9.525 30.526 1.00 13.46 O
|
|
ATOM 847 CB LYS B 63 23.856 -10.449 33.602 1.00 16.14 C
|
|
ATOM 848 CG LYS B 63 25.126 -11.111 33.028 1.00 16.50 C
|
|
ATOM 849 CD LYS B 63 26.123 -11.408 34.201 1.00 20.85 C
|
|
ATOM 850 CE LYS B 63 27.437 -11.965 33.676 1.00 26.59 C
|
|
ATOM 851 NZ LYS B 63 28.268 -10.887 33.080 1.00 32.10 N
|
|
ATOM 852 N GLU B 64 23.483 -7.785 31.793 1.00 13.35 N
|
|
ATOM 853 CA GLU B 64 24.086 -6.751 30.926 1.00 15.82 C
|
|
ATOM 854 C GLU B 64 23.525 -6.589 29.497 1.00 14.60 C
|
|
ATOM 855 O GLU B 64 24.065 -5.838 28.682 1.00 14.49 O
|
|
ATOM 856 CB GLU B 64 25.632 -6.827 30.970 1.00 15.96 C
|
|
ATOM 857 CG GLU B 64 26.133 -6.340 32.312 1.00 19.60 C
|
|
ATOM 858 CD GLU B 64 26.598 -7.418 33.281 1.00 28.16 C
|
|
ATOM 859 OE1 GLU B 64 27.508 -8.195 32.867 1.00 28.71 O
|
|
ATOM 860 OE2 GLU B 64 26.137 -7.406 34.481 1.00 27.69 O
|
|
ATOM 861 N SER B 65 22.390 -7.223 29.214 1.00 14.40 N
|
|
ATOM 862 CA SER B 65 21.688 -6.990 27.960 1.00 14.09 C
|
|
ATOM 863 C SER B 65 21.168 -5.562 27.917 1.00 13.97 C
|
|
ATOM 864 O SER B 65 20.849 -4.984 28.955 1.00 14.11 O
|
|
ATOM 865 CB SER B 65 20.480 -7.923 27.843 1.00 13.03 C
|
|
ATOM 866 OG SER B 65 20.911 -9.254 27.634 1.00 15.27 O
|
|
ATOM 867 N THR B 66 21.066 -5.002 26.715 1.00 14.26 N
|
|
ATOM 868 CA THR B 66 20.548 -3.634 26.540 1.00 14.61 C
|
|
ATOM 869 C THR B 66 19.236 -3.721 25.763 1.00 13.88 C
|
|
ATOM 870 O THR B 66 19.211 -4.200 24.632 1.00 15.09 O
|
|
ATOM 871 CB THR B 66 21.550 -2.676 25.819 1.00 15.34 C
|
|
ATOM 872 OG1 THR B 66 22.745 -2.555 26.597 1.00 15.29 O
|
|
ATOM 873 CG2 THR B 66 20.947 -1.238 25.671 1.00 14.64 C
|
|
ATOM 874 N LEU B 67 18.163 -3.269 26.383 1.00 14.02 N
|
|
ATOM 875 CA LEU B 67 16.864 -3.139 25.718 1.00 14.21 C
|
|
ATOM 876 C LEU B 67 16.722 -1.717 25.176 1.00 14.16 C
|
|
ATOM 877 O LEU B 67 17.380 -0.791 25.698 1.00 14.09 O
|
|
ATOM 878 CB LEU B 67 15.728 -3.374 26.712 1.00 13.85 C
|
|
ATOM 879 CG LEU B 67 15.727 -4.527 27.743 1.00 17.53 C
|
|
ATOM 880 CD1 LEU B 67 14.289 -4.759 28.356 1.00 13.56 C
|
|
ATOM 881 CD2 LEU B 67 16.334 -5.800 27.270 1.00 15.62 C
|
|
ATOM 882 N HIS B 68 15.883 -1.548 24.142 1.00 12.94 N
|
|
ATOM 883 CA HIS B 68 15.591 -0.219 23.631 1.00 13.32 C
|
|
ATOM 884 C HIS B 68 14.121 0.156 23.896 1.00 13.58 C
|
|
ATOM 885 O HIS B 68 13.189 -0.586 23.550 1.00 13.76 O
|
|
ATOM 886 CB HIS B 68 15.952 -0.066 22.151 1.00 13.62 C
|
|
ATOM 887 CG HIS B 68 17.430 -0.145 21.896 1.00 15.18 C
|
|
ATOM 888 ND1 HIS B 68 18.210 0.955 21.584 1.00 19.72 N
|
|
ATOM 889 CD2 HIS B 68 18.273 -1.189 21.974 1.00 15.21 C
|
|
ATOM 890 CE1 HIS B 68 19.465 0.573 21.436 1.00 14.46 C
|
|
ATOM 891 NE2 HIS B 68 19.535 -0.720 21.686 1.00 19.23 N
|
|
ATOM 892 N LEU B 69 13.945 1.313 24.531 1.00 13.37 N
|
|
ATOM 893 CA LEU B 69 12.615 1.811 24.876 1.00 12.49 C
|
|
ATOM 894 C LEU B 69 12.121 2.840 23.873 1.00 14.09 C
|
|
ATOM 895 O LEU B 69 12.850 3.741 23.481 1.00 13.91 O
|
|
ATOM 896 CB LEU B 69 12.664 2.463 26.250 1.00 13.05 C
|
|
ATOM 897 CG LEU B 69 11.387 3.199 26.721 1.00 13.35 C
|
|
ATOM 898 CD1 LEU B 69 10.205 2.249 26.900 1.00 13.45 C
|
|
ATOM 899 CD2 LEU B 69 11.687 3.974 28.021 1.00 12.71 C
|
|
ATOM 900 N VAL B 70 10.865 2.702 23.461 1.00 15.24 N
|
|
ATOM 901 CA VAL B 70 10.202 3.725 22.644 1.00 16.94 C
|
|
ATOM 902 C VAL B 70 8.907 4.084 23.338 1.00 18.01 C
|
|
ATOM 903 O VAL B 70 8.175 3.205 23.805 1.00 17.45 O
|
|
ATOM 904 CB VAL B 70 9.826 3.219 21.235 1.00 17.09 C
|
|
ATOM 905 CG1 VAL B 70 9.240 4.348 20.378 1.00 18.23 C
|
|
ATOM 906 CG2 VAL B 70 11.035 2.657 20.512 1.00 17.63 C
|
|
ATOM 907 N LEU B 71 8.604 5.371 23.374 1.00 19.59 N
|
|
ATOM 908 CA LEU B 71 7.394 5.810 24.027 1.00 22.46 C
|
|
ATOM 909 C LEU B 71 6.250 5.806 23.006 1.00 24.37 C
|
|
ATOM 910 O LEU B 71 6.475 5.911 21.776 1.00 23.74 O
|
|
ATOM 911 CB LEU B 71 7.620 7.181 24.664 1.00 23.30 C
|
|
ATOM 912 CG LEU B 71 8.157 7.264 26.105 1.00 24.51 C
|
|
ATOM 913 CD1 LEU B 71 8.656 5.938 26.700 1.00 23.98 C
|
|
ATOM 914 CD2 LEU B 71 9.199 8.358 26.203 1.00 28.65 C
|
|
ATOM 915 N ARG B 72 5.034 5.575 23.479 1.00 25.38 N
|
|
ATOM 916 CA ARG B 72 3.918 5.633 22.555 1.00 28.72 C
|
|
ATOM 917 C ARG B 72 3.404 7.079 22.524 1.00 28.98 C
|
|
ATOM 918 O ARG B 72 2.548 7.492 23.343 1.00 30.87 O
|
|
ATOM 919 CB ARG B 72 2.818 4.673 22.954 1.00 29.48 C
|
|
ATOM 920 CG ARG B 72 2.038 4.176 21.766 1.00 35.17 C
|
|
ATOM 921 CD ARG B 72 0.501 4.250 21.994 1.00 41.46 C
|
|
ATOM 922 NE ARG B 72 -0.221 3.505 20.963 1.00 44.48 N
|
|
ATOM 923 CZ ARG B 72 -1.501 3.137 21.035 1.00 46.24 C
|
|
ATOM 924 NH1 ARG B 72 -2.031 2.454 20.031 1.00 45.28 N
|
|
ATOM 925 NH2 ARG B 72 -2.249 3.447 22.095 1.00 45.90 N
|
|
TER 926 ARG B 72
|
|
HETATM 927 O HOH A 2 18.014 4.698 18.339 1.00 13.26 O
|
|
HETATM 928 O HOH A 3 15.488 -6.300 0.065 1.00 18.59 O
|
|
HETATM 929 O HOH A 4 21.121 -2.028 18.577 1.00 17.18 O
|
|
HETATM 930 O HOH A 5 20.702 -4.770 17.806 1.00 15.75 O
|
|
HETATM 931 O HOH A 7 14.259 9.987 14.238 1.00 20.27 O
|
|
HETATM 932 O HOH A 9 13.084 8.653 16.620 1.00 18.50 O
|
|
HETATM 933 O HOH A 14 28.861 -3.130 7.974 1.00 19.50 O
|
|
HETATM 934 O HOH A 18 18.435 -7.056 16.378 1.00 19.10 O
|
|
HETATM 935 O HOH A 21 3.479 -3.722 14.908 1.00 30.37 O
|
|
HETATM 936 O HOH A 23 7.496 -7.545 10.517 1.00 24.86 O
|
|
HETATM 937 O HOH A 24 22.636 -5.836 15.375 1.00 30.66 O
|
|
HETATM 938 O HOH A 27 8.986 8.012 0.718 1.00 27.37 O
|
|
HETATM 939 O HOH A 29 14.449 -5.989 10.483 1.00 25.76 O
|
|
HETATM 940 O HOH A 36 18.029 -3.722 22.189 1.00 26.23 O
|
|
HETATM 941 O HOH A 43 18.362 10.018 15.885 1.00 35.08 O
|
|
HETATM 942 O HOH A 45 5.692 3.426 17.744 1.00 34.61 O
|
|
HETATM 943 O HOH A 48 4.797 -0.809 17.876 1.00 37.98 O
|
|
HETATM 944 O HOH A 49 23.830 -2.053 8.539 1.00 41.53 O
|
|
HETATM 945 O HOH A 55 14.880 8.867 3.884 1.00 30.65 O
|
|
HETATM 946 O HOH A 56 24.038 -7.064 16.769 1.00 27.14 O
|
|
HETATM 947 O HOH A 64 6.559 9.671 0.693 1.00 36.04 O
|
|
HETATM 948 O HOH A 66 16.084 10.283 5.447 1.00 37.99 O
|
|
HETATM 949 O HOH A 67 19.933 -0.745 1.171 1.00 30.50 O
|
|
HETATM 950 O HOH A 70 7.380 11.024 17.748 1.00 31.59 O
|
|
HETATM 951 O HOH A 72 1.131 6.265 0.419 1.00 39.26 O
|
|
HETATM 952 O HOH A 73 14.516 -7.354 13.101 1.00 28.52 O
|
|
HETATM 953 O HOH A 75 16.715 -6.321 9.603 1.00 22.31 O
|
|
HETATM 954 O HOH A 76 17.914 -8.216 11.225 1.00 30.17 O
|
|
HETATM 955 O HOH A 78 -0.197 5.893 8.505 1.00 52.08 O
|
|
HETATM 956 O HOH A 80 16.841 -8.222 14.190 1.00 33.00 O
|
|
HETATM 957 O HOH A 86 13.587 -8.935 10.575 1.00 33.51 O
|
|
HETATM 958 O HOH A 88 19.226 -10.051 17.133 1.00 38.34 O
|
|
HETATM 959 O HOH A 90 12.191 9.647 3.742 1.00 32.40 O
|
|
HETATM 960 O HOH A 93 9.886 9.885 9.388 1.00 29.83 O
|
|
HETATM 961 O HOH A 97 2.954 8.709 11.667 1.00 41.41 O
|
|
HETATM 962 O HOH A 99 3.013 5.753 -2.650 1.00 55.27 O
|
|
HETATM 963 O HOH A 102 3.573 8.982 5.257 1.00 47.27 O
|
|
HETATM 964 O HOH A 107 4.922 10.229 11.986 1.00 36.12 O
|
|
HETATM 965 O HOH A 108 21.903 -8.026 14.127 1.00 38.18 O
|
|
HETATM 966 O HOH A 110 0.000 3.072 0.001 0.50 41.89 O
|
|
HETATM 967 O HOH A 113 17.120 -8.211 7.388 1.00 40.09 O
|
|
HETATM 968 O HOH A 115 -1.291 4.416 1.752 1.00 49.83 O
|
|
HETATM 969 O HOH A 116 24.473 -8.375 14.381 1.00 48.95 O
|
|
HETATM 970 O HOH A 118 26.090 -10.069 14.806 1.00 36.80 O
|
|
HETATM 971 O HOH A 121 23.217 -11.912 15.145 1.00 35.01 O
|
|
HETATM 972 O HOH A 122 25.474 -13.292 14.633 1.00 34.35 O
|
|
HETATM 973 O HOH A 123 4.333 2.894 6.864 1.00 36.00 O
|
|
HETATM 974 O HOH A 127 18.864 8.662 9.120 1.00 41.76 O
|
|
HETATM 975 O HOH A 129 -1.601 7.254 6.479 1.00 31.16 O
|
|
HETATM 976 O HOH A 132 9.128 -9.055 9.126 1.00 37.48 O
|
|
HETATM 977 O HOH A 144 17.604 -7.619 4.955 1.00 33.58 O
|
|
HETATM 978 O HOH A 148 7.401 9.828 9.409 1.00 35.20 O
|
|
HETATM 979 O HOH B 77 15.348 -1.296 39.150 1.00 7.50 O
|
|
HETATM 980 O HOH B 78 22.485 -6.409 24.476 1.00 15.10 O
|
|
HETATM 981 O HOH B 79 15.538 3.516 22.561 1.00 13.82 O
|
|
HETATM 982 O HOH B 80 12.645 6.309 24.093 1.00 17.87 O
|
|
HETATM 983 O HOH B 81 13.119 0.649 39.381 1.00 19.59 O
|
|
HETATM 984 O HOH B 82 8.255 -9.516 18.334 1.00 24.39 O
|
|
HETATM 985 O HOH B 83 19.436 3.965 36.204 1.00 20.36 O
|
|
HETATM 986 O HOH B 84 24.436 -8.297 36.550 1.00 17.87 O
|
|
HETATM 987 O HOH B 85 22.301 3.693 33.962 1.00 17.83 O
|
|
HETATM 988 O HOH B 86 10.570 7.712 22.640 1.00 19.03 O
|
|
HETATM 989 O HOH B 87 6.942 -3.891 24.839 1.00 20.75 O
|
|
HETATM 990 O HOH B 88 26.524 -4.806 35.695 1.00 20.63 O
|
|
HETATM 991 O HOH B 89 18.674 14.406 25.029 1.00 31.95 O
|
|
HETATM 992 O HOH B 90 22.509 -13.676 32.943 1.00 23.11 O
|
|
HETATM 993 O HOH B 91 13.847 -17.221 23.582 1.00 21.55 O
|
|
HETATM 994 O HOH B 92 20.217 -15.108 33.080 1.00 21.00 O
|
|
HETATM 995 O HOH B 93 23.372 6.768 27.681 1.00 22.97 O
|
|
HETATM 996 O HOH B 94 14.337 9.313 27.942 1.00 24.43 O
|
|
HETATM 997 O HOH B 95 22.600 -7.131 40.425 1.00 26.95 O
|
|
HETATM 998 O HOH B 96 18.081 -14.783 31.633 1.00 26.89 O
|
|
HETATM 999 O HOH B 97 17.824 4.146 21.093 1.00 27.63 O
|
|
HETATM 1000 O HOH B 98 10.871 -12.418 39.321 1.00 26.74 O
|
|
HETATM 1001 O HOH B 99 15.521 -18.698 27.008 1.00 27.19 O
|
|
HETATM 1002 O HOH B 100 13.477 -8.271 40.651 1.00 29.65 O
|
|
HETATM 1003 O HOH B 101 22.569 -9.582 25.410 1.00 34.00 O
|
|
HETATM 1004 O HOH B 102 20.083 -11.864 39.745 1.00 32.26 O
|
|
HETATM 1005 O HOH B 103 11.299 -0.384 41.293 1.00 28.64 O
|
|
HETATM 1006 O HOH B 104 -0.072 -1.809 32.498 1.00 29.16 O
|
|
HETATM 1007 O HOH B 105 3.045 -0.815 27.148 1.00 26.58 O
|
|
HETATM 1008 O HOH B 106 15.857 -7.776 41.329 1.00 30.19 O
|
|
HETATM 1009 O HOH B 107 8.025 -15.707 36.395 1.00 29.00 O
|
|
HETATM 1010 O HOH B 108 1.940 -7.420 26.085 1.00 34.07 O
|
|
HETATM 1011 O HOH B 109 5.572 1.173 38.979 1.00 28.93 O
|
|
HETATM 1012 O HOH B 110 24.525 -4.491 26.510 1.00 27.91 O
|
|
HETATM 1013 O HOH B 111 24.720 -7.077 38.749 1.00 35.73 O
|
|
HETATM 1014 O HOH B 112 23.287 -13.350 35.988 1.00 27.10 O
|
|
HETATM 1015 O HOH B 113 19.280 -7.551 41.030 1.00 32.21 O
|
|
HETATM 1016 O HOH B 114 26.039 -1.043 36.421 1.00 25.43 O
|
|
HETATM 1017 O HOH B 115 -0.115 8.449 23.163 1.00 40.48 O
|
|
HETATM 1018 O HOH B 116 4.080 7.507 36.057 1.00 33.58 O
|
|
HETATM 1019 O HOH B 117 25.499 -11.696 29.562 1.00 29.45 O
|
|
HETATM 1020 O HOH B 118 3.669 -6.717 21.634 1.00 35.55 O
|
|
HETATM 1021 O HOH B 119 24.392 -11.120 37.362 1.00 25.58 O
|
|
HETATM 1022 O HOH B 120 16.262 -13.020 22.012 1.00 28.01 O
|
|
HETATM 1023 O HOH B 121 24.065 -0.249 27.243 1.00 40.43 O
|
|
HETATM 1024 O HOH B 122 12.581 8.417 25.604 1.00 31.64 O
|
|
HETATM 1025 O HOH B 123 3.722 -9.695 35.946 1.00 28.26 O
|
|
HETATM 1026 O HOH B 124 13.705 2.547 41.297 1.00 34.54 O
|
|
HETATM 1027 O HOH B 125 17.914 -0.021 40.277 1.00 37.95 O
|
|
HETATM 1028 O HOH B 126 0.585 6.734 20.212 1.00 28.36 O
|
|
HETATM 1029 O HOH B 127 14.499 -15.311 21.639 1.00 34.10 O
|
|
HETATM 1030 O HOH B 128 23.516 2.511 26.478 1.00 30.61 O
|
|
HETATM 1031 O HOH B 129 4.060 -5.224 37.643 1.00 33.23 O
|
|
HETATM 1032 O HOH B 130 -4.315 3.982 24.425 1.00 40.15 O
|
|
HETATM 1033 O HOH B 131 0.469 2.151 24.107 1.00 32.68 O
|
|
HETATM 1034 O HOH B 132 2.410 -7.284 36.911 1.00 31.26 O
|
|
HETATM 1035 O HOH B 133 2.807 7.773 19.884 1.00 37.79 O
|
|
HETATM 1036 O HOH B 134 9.585 -10.336 15.998 1.00 34.01 O
|
|
HETATM 1037 O HOH B 135 3.615 -19.683 25.826 1.00 38.16 O
|
|
HETATM 1038 O HOH B 136 18.375 12.368 28.142 1.00 37.77 O
|
|
HETATM 1039 O HOH B 137 20.656 -12.961 24.320 1.00 33.45 O
|
|
HETATM 1040 O HOH B 138 14.253 -2.849 41.469 1.00 29.02 O
|
|
HETATM 1041 O HOH B 139 19.271 6.269 21.821 1.00 38.85 O
|
|
HETATM 1042 O HOH B 140 11.372 -3.221 41.435 1.00 35.76 O
|
|
HETATM 1043 O HOH B 141 18.057 -15.223 40.145 1.00 43.64 O
|
|
HETATM 1044 O HOH B 142 5.766 -8.518 19.540 1.00 32.90 O
|
|
HETATM 1045 O HOH B 143 24.655 -13.319 27.237 1.00 37.34 O
|
|
HETATM 1046 O HOH B 144 19.170 -15.213 42.203 1.00 70.19 O
|
|
HETATM 1047 O HOH B 145 8.412 7.693 39.469 1.00 41.70 O
|
|
HETATM 1048 O HOH B 146 8.630 -12.217 19.929 1.00 41.86 O
|
|
HETATM 1049 O HOH B 147 3.660 -2.633 35.032 1.00 33.92 O
|
|
HETATM 1050 O HOH B 148 8.158 -2.419 40.716 1.00 39.53 O
|
|
HETATM 1051 O HOH B 149 27.534 -1.275 38.956 1.00 35.02 O
|
|
HETATM 1052 O HOH B 150 0.000 0.000 34.953 0.50 17.69 O
|
|
HETATM 1053 O HOH B 151 7.073 -10.732 21.009 1.00 61.51 O
|
|
HETATM 1054 O HOH B 152 1.482 -19.049 26.022 1.00 54.93 O
|
|
HETATM 1055 O HOH B 153 8.201 -5.128 38.987 1.00 41.62 O
|
|
HETATM 1056 O HOH B 154 29.060 -10.445 30.687 1.00 41.62 O
|
|
HETATM 1057 O HOH B 155 19.056 9.882 20.362 1.00 46.29 O
|
|
HETATM 1058 O HOH B 156 1.730 1.390 19.923 1.00 32.83 O
|
|
HETATM 1059 O HOH B 157 28.434 -8.079 30.909 1.00 16.79 O
|
|
HETATM 1060 O HOH B 158 11.931 -12.428 15.742 1.00 41.52 O
|
|
MASTER 311 0 0 6 5 0 0 6 1058 2 0 10
|
|
END
|