1553 lines
124 KiB
Plaintext
1553 lines
124 KiB
Plaintext
HEADER CELL CYCLE 29-JUL-98 1BM8
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TITLE DNA-BINDING DOMAIN OF MBP1
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COMPND MOL_ID: 1;
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COMPND 2 MOLECULE: TRANSCRIPTION FACTOR MBP1;
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COMPND 3 CHAIN: A;
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COMPND 4 FRAGMENT: N-TERMINAL DNA-BINDING DOMAIN;
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COMPND 5 SYNONYM: MCB (MLUI CELL-CYLE BOX) BINDING PROTEIN;
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COMPND 6 ENGINEERED: YES
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SOURCE MOL_ID: 1;
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SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
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SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
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SOURCE 4 ORGANISM_TAXID: 4932;
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SOURCE 5 CELL_LINE: BL21;
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SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
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SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
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SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;
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SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BL21 (DE3) PLYSS/PET43
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KEYWDS CELL CYCLE, CYCLINS, DNA SYNTHESIS, HELIX-TURN-HELIX DNA-
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KEYWDS 2 BINDING DOMAIN, MULTIWAVELENGTH ANOMALOUS DIFFRACTION,
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KEYWDS 3 TRANSCRIPTION FACTOR
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EXPDTA X-RAY DIFFRACTION
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AUTHOR R.-M.XU,C.KOCH,Y.LIU,J.R.HORTON,D.KNAPP,K.NASMYTH,X.CHENG
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REVDAT 2 24-FEB-09 1BM8 1 VERSN
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REVDAT 1 02-MAR-99 1BM8 0
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JRNL AUTH R.M.XU,C.KOCH,Y.LIU,J.R.HORTON,D.KNAPP,K.NASMYTH,
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JRNL AUTH 2 X.CHENG
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JRNL TITL CRYSTAL STRUCTURE OF THE DNA-BINDING DOMAIN OF
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JRNL TITL 2 MBP1, A TRANSCRIPTION FACTOR IMPORTANT IN
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JRNL TITL 3 CELL-CYCLE CONTROL OF DNA SYNTHESIS.
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JRNL REF STRUCTURE V. 5 349 1997
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JRNL REFN ISSN 0969-2126
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JRNL PMID 9083114
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JRNL DOI 10.1016/S0969-2126(97)00192-5
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REMARK 1
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REMARK 2
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REMARK 2 RESOLUTION. 1.71 ANGSTROMS.
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REMARK 3
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REMARK 3 REFINEMENT.
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REMARK 3 PROGRAM : X-PLOR 3.851
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REMARK 3 AUTHORS : BRUNGER
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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) : 1.71
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REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00
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REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
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REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
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REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
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REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.6
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REMARK 3 NUMBER OF REFLECTIONS : 10273
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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 : NULL
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REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
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REMARK 3 R VALUE (WORKING SET) : 0.197
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REMARK 3 FREE R VALUE : 0.261
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REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000
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REMARK 3 FREE R VALUE TEST SET COUNT : NULL
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REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
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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 : 8
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REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.71
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REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.78
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REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 34.10
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REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 535
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REMARK 3 BIN R VALUE (WORKING SET) : 0.4020
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REMARK 3 BIN FREE R VALUE : 0.3350
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REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00
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REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
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REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
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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 : 812
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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 : 66
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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) : 36.00
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REMARK 3 OVERALL ANISOTROPIC B VALUE.
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REMARK 3 B11 (A**2) : NULL
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REMARK 3 B22 (A**2) : NULL
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REMARK 3 B33 (A**2) : NULL
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REMARK 3 B12 (A**2) : NULL
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REMARK 3 B13 (A**2) : NULL
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REMARK 3 B23 (A**2) : NULL
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REMARK 3
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REMARK 3 ESTIMATED COORDINATE ERROR.
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REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
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REMARK 3 ESD FROM SIGMAA (A) : NULL
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REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
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REMARK 3
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REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
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REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
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REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
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REMARK 3
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REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
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REMARK 3 BOND LENGTHS (A) : 0.009
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REMARK 3 BOND ANGLES (DEGREES) : 1.11
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REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.30
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REMARK 3 IMPROPER ANGLES (DEGREES) : 0.98
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REMARK 3
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REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
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REMARK 3
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REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
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REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
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REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
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REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
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REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
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REMARK 3
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REMARK 3 NCS MODEL : NULL
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REMARK 3
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REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
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REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
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REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
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REMARK 3
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REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO
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REMARK 3 PARAMETER FILE 2 : NULL
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REMARK 3 PARAMETER FILE 3 : NULL
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REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO
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REMARK 3 TOPOLOGY FILE 2 : NULL
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REMARK 3 TOPOLOGY FILE 3 : NULL
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REMARK 3
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REMARK 3 OTHER REFINEMENT REMARKS: ISOTROPIC THERMAL FACTOR RESTRAINTS:
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REMARK 3 36. (A**2) FOR MAIN-CHAIN BONDS AND 40.3 (A**2) FOR SIDE-CHAIN
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REMARK 3 BONDS.
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REMARK 4
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REMARK 4 1BM8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
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REMARK 100
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REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
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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 : JUN-96
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REMARK 200 TEMPERATURE (KELVIN) : 289
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REMARK 200 PH : 8.0
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REMARK 200 NUMBER OF CRYSTALS USED : 3
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REMARK 200
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REMARK 200 SYNCHROTRON (Y/N) : Y
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REMARK 200 RADIATION SOURCE : NSLS
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REMARK 200 BEAMLINE : X12C
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REMARK 200 X-RAY GENERATOR MODEL : NULL
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REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
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REMARK 200 WAVELENGTH OR RANGE (A) : 0.96
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REMARK 200 MONOCHROMATOR : NI FILTER
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REMARK 200 OPTICS : MIRRORS
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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 IIC
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REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
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REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
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REMARK 200
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REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12811
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REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700
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REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
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REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
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REMARK 200
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REMARK 200 OVERALL.
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REMARK 200 COMPLETENESS FOR RANGE (%) : 93.6
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REMARK 200 DATA REDUNDANCY : 5.300
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REMARK 200 R MERGE (I) : 0.05200
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REMARK 200 R SYM (I) : NULL
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REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.4000
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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) : 1.71
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REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.78
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REMARK 200 COMPLETENESS FOR SHELL (%) : 34.0
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REMARK 200 DATA REDUNDANCY IN SHELL : NULL
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REMARK 200 R MERGE FOR SHELL (I) : NULL
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REMARK 200 R SYM FOR SHELL (I) : NULL
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REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
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REMARK 200
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REMARK 200 DIFFRACTION PROTOCOL: NULL
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REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
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REMARK 200 SOFTWARE USED: PHASES
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REMARK 200 STARTING MODEL: NULL
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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 (%): 34.00
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REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.85
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REMARK 280
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REMARK 280 CRYSTALLIZATION CONDITIONS: PH 8.0
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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: P 41 21 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+1/2
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REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4
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REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4
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REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4
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REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4
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REMARK 290 7555 Y,X,-Z
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REMARK 290 8555 -Y,-X,-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 62.11000
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REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 21.67500
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REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 21.67500
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REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 31.05500
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REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 21.67500
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REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 21.67500
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REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 93.16500
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REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 21.67500
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REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 21.67500
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REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 31.05500
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REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 21.67500
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REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 21.67500
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REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 93.16500
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REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
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REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
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REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
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REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
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REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 62.11000
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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: MONOMERIC
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REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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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 525
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REMARK 525 SOLVENT
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REMARK 525
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REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
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REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
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REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
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REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
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REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
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REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
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REMARK 525 NUMBER; I=INSERTION CODE):
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REMARK 525
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REMARK 525 M RES CSSEQI
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REMARK 525 HOH A 459 DISTANCE = 6.67 ANGSTROMS
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REMARK 525 HOH A 473 DISTANCE = 6.70 ANGSTROMS
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DBREF 1BM8 A 4 102 UNP P39678 MBP1_YEAST 4 102
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SEQRES 1 A 99 GLN ILE TYR SER ALA ARG TYR SER GLY VAL ASP VAL TYR
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SEQRES 2 A 99 GLU PHE ILE HIS SER THR GLY SER ILE MET LYS ARG LYS
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SEQRES 3 A 99 LYS ASP ASP TRP VAL ASN ALA THR HIS ILE LEU LYS ALA
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SEQRES 4 A 99 ALA ASN PHE ALA LYS ALA LYS ARG THR ARG ILE LEU GLU
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SEQRES 5 A 99 LYS GLU VAL LEU LYS GLU THR HIS GLU LYS VAL GLN GLY
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SEQRES 6 A 99 GLY PHE GLY LYS TYR GLN GLY THR TRP VAL PRO LEU ASN
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SEQRES 7 A 99 ILE ALA LYS GLN LEU ALA GLU LYS PHE SER VAL TYR ASP
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SEQRES 8 A 99 GLN LEU LYS PRO LEU PHE ASP PHE
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FORMUL 2 HOH *83(H2 O)
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HELIX 1 1 ALA A 36 ALA A 42 1 7
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HELIX 2 2 LYS A 47 GLU A 57 1 11
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HELIX 3 3 LEU A 80 LYS A 89 1 10
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HELIX 4 4 TYR A 93 PHE A 100 1 8
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SHEET 1 A 3 ILE A 5 TYR A 10 0
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SHEET 2 A 3 VAL A 13 ILE A 19 -1 N GLU A 17 O TYR A 6
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SHEET 3 A 3 SER A 24 ARG A 28 -1 N LYS A 27 O TYR A 16
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SHEET 1 B 2 GLU A 64 VAL A 66 0
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SHEET 2 B 2 GLY A 75 TRP A 77 -1 N TRP A 77 O GLU A 64
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CRYST1 43.350 43.350 124.220 90.00 90.00 90.00 P 41 21 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 0.023068 0.000000 0.000000 0.00000
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SCALE2 0.000000 0.023068 0.000000 0.00000
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SCALE3 0.000000 0.000000 0.008050 0.00000
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ATOM 1 N GLN A 4 -0.991 4.920 14.982 1.00 52.28 N
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ATOM 2 CA GLN A 4 -0.575 5.127 16.398 1.00 51.22 C
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ATOM 3 C GLN A 4 0.344 6.335 16.538 1.00 48.16 C
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ATOM 4 O GLN A 4 0.893 6.823 15.540 1.00 46.43 O
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ATOM 5 CB GLN A 4 0.121 3.877 16.961 1.00 53.87 C
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ATOM 6 CG GLN A 4 -0.797 3.008 17.820 1.00 57.21 C
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ATOM 7 CD GLN A 4 -0.029 2.066 18.730 1.00 60.18 C
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ATOM 8 OE1 GLN A 4 1.135 2.325 19.071 1.00 61.12 O
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ATOM 9 NE2 GLN A 4 -0.673 0.970 19.131 1.00 61.27 N
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ATOM 10 H1 GLN A 4 -1.493 5.767 14.644 1.00 0.00 H
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ATOM 11 H2 GLN A 4 -0.148 4.764 14.393 1.00 0.00 H
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ATOM 12 H3 GLN A 4 -1.618 4.097 14.918 1.00 0.00 H
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ATOM 13 HE21 GLN A 4 -0.200 0.339 19.714 1.00 0.00 H
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ATOM 14 HE22 GLN A 4 -1.594 0.835 18.832 1.00 0.00 H
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ATOM 15 N ILE A 5 0.487 6.801 17.778 1.00 44.78 N
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ATOM 16 CA ILE A 5 1.300 7.959 18.076 1.00 42.51 C
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ATOM 17 C ILE A 5 2.358 7.589 19.087 1.00 40.28 C
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ATOM 18 O ILE A 5 2.041 7.137 20.170 1.00 41.33 O
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ATOM 19 CB ILE A 5 0.424 9.104 18.631 1.00 42.76 C
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ATOM 20 CG1 ILE A 5 -0.582 9.523 17.557 1.00 44.06 C
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ATOM 21 CG2 ILE A 5 1.281 10.293 19.056 1.00 43.55 C
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ATOM 22 CD1 ILE A 5 -1.471 10.684 17.936 1.00 43.93 C
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ATOM 23 H ILE A 5 0.039 6.338 18.519 1.00 0.00 H
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ATOM 24 N TYR A 6 3.607 7.754 18.720 1.00 38.87 N
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ATOM 25 CA TYR A 6 4.710 7.452 19.621 1.00 38.04 C
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ATOM 26 C TYR A 6 5.273 8.733 20.218 1.00 34.53 C
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ATOM 27 O TYR A 6 5.170 9.805 19.650 1.00 33.71 O
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ATOM 28 CB TYR A 6 5.892 6.794 18.889 1.00 42.49 C
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ATOM 29 CG TYR A 6 5.619 5.559 18.078 1.00 49.90 C
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ATOM 30 CD1 TYR A 6 4.759 4.551 18.520 1.00 52.40 C
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ATOM 31 CD2 TYR A 6 6.290 5.367 16.884 1.00 53.52 C
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ATOM 32 CE1 TYR A 6 4.603 3.377 17.787 1.00 56.29 C
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ATOM 33 CE2 TYR A 6 6.148 4.208 16.144 1.00 56.87 C
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ATOM 34 CZ TYR A 6 5.307 3.211 16.595 1.00 58.22 C
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ATOM 35 OH TYR A 6 5.213 2.023 15.883 1.00 62.12 O
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ATOM 36 H TYR A 6 3.803 8.092 17.823 1.00 0.00 H
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ATOM 37 HH TYR A 6 4.525 1.471 16.264 1.00 0.00 H
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ATOM 38 N SER A 7 5.887 8.595 21.343 1.00 29.82 N
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ATOM 39 CA SER A 7 6.641 9.658 21.907 1.00 27.41 C
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ATOM 40 C SER A 7 8.065 9.484 21.365 1.00 25.27 C
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ATOM 41 O SER A 7 8.573 8.364 21.336 1.00 24.52 O
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ATOM 42 CB SER A 7 6.604 9.491 23.411 1.00 27.69 C
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ATOM 43 OG SER A 7 7.393 10.446 24.052 1.00 34.18 O
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ATOM 44 H SER A 7 5.839 7.737 21.817 1.00 0.00 H
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ATOM 45 HG SER A 7 8.257 10.478 23.644 1.00 0.00 H
|
|
ATOM 46 N ALA A 8 8.709 10.555 20.901 1.00 23.35 N
|
|
ATOM 47 CA ALA A 8 10.071 10.423 20.364 1.00 20.99 C
|
|
ATOM 48 C ALA A 8 10.887 11.696 20.574 1.00 21.47 C
|
|
ATOM 49 O ALA A 8 10.370 12.693 21.084 1.00 21.33 O
|
|
ATOM 50 CB ALA A 8 10.016 10.075 18.875 1.00 20.24 C
|
|
ATOM 51 H ALA A 8 8.274 11.435 20.918 1.00 0.00 H
|
|
ATOM 52 N ARG A 9 12.163 11.644 20.207 1.00 21.36 N
|
|
ATOM 53 CA ARG A 9 13.054 12.817 20.318 1.00 23.94 C
|
|
ATOM 54 C ARG A 9 14.026 12.854 19.153 1.00 24.02 C
|
|
ATOM 55 O ARG A 9 14.629 11.831 18.835 1.00 22.48 O
|
|
ATOM 56 CB ARG A 9 13.864 12.818 21.615 1.00 24.91 C
|
|
ATOM 57 CG ARG A 9 14.921 13.922 21.647 1.00 28.68 C
|
|
ATOM 58 CD ARG A 9 15.735 13.904 22.931 1.00 31.98 C
|
|
ATOM 59 NE ARG A 9 14.979 14.426 24.042 1.00 35.74 N
|
|
ATOM 60 CZ ARG A 9 15.234 15.602 24.583 1.00 37.58 C
|
|
ATOM 61 NH1 ARG A 9 16.262 16.324 24.162 1.00 38.78 N
|
|
ATOM 62 NH2 ARG A 9 14.475 16.048 25.571 1.00 40.26 N
|
|
ATOM 63 H ARG A 9 12.518 10.810 19.832 1.00 0.00 H
|
|
ATOM 64 HE ARG A 9 14.250 13.885 24.413 1.00 0.00 H
|
|
ATOM 65 HH11 ARG A 9 16.855 15.976 23.436 1.00 0.00 H
|
|
ATOM 66 HH12 ARG A 9 16.446 17.220 24.568 1.00 0.00 H
|
|
ATOM 67 HH21 ARG A 9 13.711 15.495 25.906 1.00 0.00 H
|
|
ATOM 68 HH22 ARG A 9 14.657 16.944 25.977 1.00 0.00 H
|
|
ATOM 69 N TYR A 10 14.154 14.035 18.532 1.00 24.15 N
|
|
ATOM 70 CA TYR A 10 15.034 14.236 17.379 1.00 26.92 C
|
|
ATOM 71 C TYR A 10 15.730 15.585 17.504 1.00 28.93 C
|
|
ATOM 72 O TYR A 10 15.085 16.571 17.814 1.00 29.46 O
|
|
ATOM 73 CB TYR A 10 14.234 14.252 16.072 1.00 23.90 C
|
|
ATOM 74 CG TYR A 10 13.510 12.977 15.778 1.00 24.39 C
|
|
ATOM 75 CD1 TYR A 10 14.171 11.907 15.185 1.00 25.27 C
|
|
ATOM 76 CD2 TYR A 10 12.174 12.813 16.148 1.00 25.41 C
|
|
ATOM 77 CE1 TYR A 10 13.521 10.695 14.967 1.00 27.01 C
|
|
ATOM 78 CE2 TYR A 10 11.520 11.609 15.936 1.00 27.17 C
|
|
ATOM 79 CZ TYR A 10 12.196 10.556 15.346 1.00 26.47 C
|
|
ATOM 80 OH TYR A 10 11.540 9.379 15.101 1.00 27.96 O
|
|
ATOM 81 H TYR A 10 13.640 14.801 18.866 1.00 0.00 H
|
|
ATOM 82 HH TYR A 10 12.100 8.804 14.574 1.00 0.00 H
|
|
ATOM 83 N SER A 11 17.029 15.630 17.266 1.00 30.98 N
|
|
ATOM 84 CA SER A 11 17.751 16.893 17.349 1.00 32.54 C
|
|
ATOM 85 C SER A 11 17.509 17.599 18.695 1.00 32.28 C
|
|
ATOM 86 O SER A 11 17.377 18.827 18.737 1.00 33.57 O
|
|
ATOM 87 CB SER A 11 17.299 17.821 16.212 1.00 34.50 C
|
|
ATOM 88 OG SER A 11 17.469 17.220 14.934 1.00 39.12 O
|
|
ATOM 89 H SER A 11 17.508 14.810 17.019 1.00 0.00 H
|
|
ATOM 90 HG SER A 11 18.388 16.968 14.813 1.00 0.00 H
|
|
ATOM 91 N GLY A 12 17.410 16.826 19.780 1.00 30.27 N
|
|
ATOM 92 CA GLY A 12 17.187 17.403 21.099 1.00 27.72 C
|
|
ATOM 93 C GLY A 12 15.760 17.867 21.361 1.00 26.67 C
|
|
ATOM 94 O GLY A 12 15.474 18.436 22.414 1.00 28.11 O
|
|
ATOM 95 H GLY A 12 17.494 15.856 19.690 1.00 0.00 H
|
|
ATOM 96 N VAL A 13 14.855 17.590 20.434 1.00 25.00 N
|
|
ATOM 97 CA VAL A 13 13.459 18.045 20.539 1.00 22.39 C
|
|
ATOM 98 C VAL A 13 12.471 16.877 20.723 1.00 22.62 C
|
|
ATOM 99 O VAL A 13 12.494 15.913 19.959 1.00 21.65 O
|
|
ATOM 100 CB VAL A 13 13.075 18.819 19.253 1.00 21.97 C
|
|
ATOM 101 CG1 VAL A 13 11.652 19.334 19.343 1.00 18.81 C
|
|
ATOM 102 CG2 VAL A 13 14.057 19.964 19.042 1.00 22.24 C
|
|
ATOM 103 H VAL A 13 15.123 17.070 19.648 1.00 0.00 H
|
|
ATOM 104 N ASP A 14 11.617 16.976 21.734 1.00 21.41 N
|
|
ATOM 105 CA ASP A 14 10.622 15.950 22.003 1.00 21.86 C
|
|
ATOM 106 C ASP A 14 9.377 16.206 21.197 1.00 21.71 C
|
|
ATOM 107 O ASP A 14 8.837 17.312 21.204 1.00 20.60 O
|
|
ATOM 108 CB ASP A 14 10.237 15.913 23.494 1.00 24.96 C
|
|
ATOM 109 CG ASP A 14 11.414 15.636 24.396 1.00 25.52 C
|
|
ATOM 110 OD1 ASP A 14 12.057 14.597 24.232 1.00 27.41 O
|
|
ATOM 111 OD2 ASP A 14 11.704 16.473 25.257 1.00 30.85 O
|
|
ATOM 112 H ASP A 14 11.653 17.765 22.313 1.00 0.00 H
|
|
ATOM 113 N VAL A 15 8.897 15.168 20.550 1.00 21.11 N
|
|
ATOM 114 CA VAL A 15 7.740 15.281 19.686 1.00 20.99 C
|
|
ATOM 115 C VAL A 15 6.819 14.096 19.900 1.00 23.45 C
|
|
ATOM 116 O VAL A 15 7.178 13.132 20.595 1.00 24.63 O
|
|
ATOM 117 CB VAL A 15 8.149 15.282 18.166 1.00 19.89 C
|
|
ATOM 118 CG1 VAL A 15 9.103 16.420 17.854 1.00 16.46 C
|
|
ATOM 119 CG2 VAL A 15 8.795 13.934 17.785 1.00 18.59 C
|
|
ATOM 120 H VAL A 15 9.323 14.292 20.662 1.00 0.00 H
|
|
ATOM 121 N TYR A 16 5.632 14.216 19.339 1.00 24.96 N
|
|
ATOM 122 CA TYR A 16 4.726 13.114 19.215 1.00 26.21 C
|
|
ATOM 123 C TYR A 16 4.746 12.756 17.744 1.00 26.48 C
|
|
ATOM 124 O TYR A 16 4.631 13.643 16.884 1.00 25.01 O
|
|
ATOM 125 CB TYR A 16 3.314 13.507 19.644 1.00 29.28 C
|
|
ATOM 126 CG TYR A 16 3.170 13.632 21.144 1.00 32.30 C
|
|
ATOM 127 CD1 TYR A 16 3.375 12.530 21.959 1.00 34.32 C
|
|
ATOM 128 CD2 TYR A 16 2.859 14.843 21.746 1.00 33.14 C
|
|
ATOM 129 CE1 TYR A 16 3.272 12.625 23.332 1.00 36.05 C
|
|
ATOM 130 CE2 TYR A 16 2.755 14.950 23.125 1.00 35.60 C
|
|
ATOM 131 CZ TYR A 16 2.962 13.832 23.907 1.00 37.33 C
|
|
ATOM 132 OH TYR A 16 2.870 13.922 25.273 1.00 42.80 O
|
|
ATOM 133 H TYR A 16 5.364 15.082 18.983 1.00 0.00 H
|
|
ATOM 134 HH TYR A 16 3.304 13.159 25.678 1.00 0.00 H
|
|
ATOM 135 N GLU A 17 4.950 11.483 17.454 1.00 27.52 N
|
|
ATOM 136 CA GLU A 17 5.040 11.030 16.074 1.00 29.95 C
|
|
ATOM 137 C GLU A 17 3.841 10.167 15.709 1.00 30.66 C
|
|
ATOM 138 O GLU A 17 3.533 9.205 16.390 1.00 27.27 O
|
|
ATOM 139 CB GLU A 17 6.349 10.268 15.880 1.00 29.55 C
|
|
ATOM 140 CG GLU A 17 6.689 9.958 14.439 1.00 32.47 C
|
|
ATOM 141 CD GLU A 17 8.068 9.340 14.291 1.00 34.84 C
|
|
ATOM 142 OE1 GLU A 17 8.917 9.552 15.182 1.00 36.30 O
|
|
ATOM 143 OE2 GLU A 17 8.307 8.643 13.282 1.00 38.82 O
|
|
ATOM 144 H GLU A 17 5.048 10.834 18.179 1.00 0.00 H
|
|
ATOM 145 N PHE A 18 3.157 10.574 14.657 1.00 34.09 N
|
|
ATOM 146 CA PHE A 18 1.992 9.874 14.154 1.00 38.16 C
|
|
ATOM 147 C PHE A 18 2.404 9.093 12.906 1.00 40.68 C
|
|
ATOM 148 O PHE A 18 3.066 9.635 12.005 1.00 38.31 O
|
|
ATOM 149 CB PHE A 18 0.911 10.908 13.837 1.00 39.21 C
|
|
ATOM 150 CG PHE A 18 -0.309 10.396 13.139 1.00 43.44 C
|
|
ATOM 151 CD1 PHE A 18 -1.285 9.683 13.838 1.00 45.30 C
|
|
ATOM 152 CD2 PHE A 18 -0.520 10.684 11.789 1.00 45.30 C
|
|
ATOM 153 CE1 PHE A 18 -2.451 9.269 13.205 1.00 45.73 C
|
|
ATOM 154 CE2 PHE A 18 -1.682 10.275 11.146 1.00 46.28 C
|
|
ATOM 155 CZ PHE A 18 -2.651 9.568 11.854 1.00 46.51 C
|
|
ATOM 156 H PHE A 18 3.446 11.386 14.198 1.00 0.00 H
|
|
ATOM 157 N ILE A 19 2.060 7.813 12.875 1.00 43.87 N
|
|
ATOM 158 CA ILE A 19 2.451 6.970 11.756 1.00 47.64 C
|
|
ATOM 159 C ILE A 19 1.361 6.905 10.701 1.00 50.18 C
|
|
ATOM 160 O ILE A 19 0.316 6.280 10.907 1.00 50.83 O
|
|
ATOM 161 CB ILE A 19 2.787 5.548 12.208 1.00 48.13 C
|
|
ATOM 162 CG1 ILE A 19 3.734 5.597 13.406 1.00 49.26 C
|
|
ATOM 163 CG2 ILE A 19 3.425 4.793 11.061 1.00 48.27 C
|
|
ATOM 164 CD1 ILE A 19 5.016 6.356 13.140 1.00 51.27 C
|
|
ATOM 165 H ILE A 19 1.535 7.436 13.609 1.00 0.00 H
|
|
ATOM 166 N HIS A 20 1.623 7.574 9.587 1.00 52.47 N
|
|
ATOM 167 CA HIS A 20 0.710 7.602 8.461 1.00 54.63 C
|
|
ATOM 168 C HIS A 20 1.325 6.738 7.359 1.00 54.62 C
|
|
ATOM 169 O HIS A 20 2.518 6.415 7.424 1.00 54.75 O
|
|
ATOM 170 CB HIS A 20 0.553 9.056 7.990 1.00 57.40 C
|
|
ATOM 171 CG HIS A 20 -0.664 9.340 7.157 1.00 60.64 C
|
|
ATOM 172 ND1 HIS A 20 -0.604 9.703 5.820 1.00 61.69 N
|
|
ATOM 173 CD2 HIS A 20 -1.991 9.341 7.470 1.00 61.84 C
|
|
ATOM 174 CE1 HIS A 20 -1.811 9.917 5.323 1.00 62.25 C
|
|
ATOM 175 NE2 HIS A 20 -2.653 9.699 6.317 1.00 63.47 N
|
|
ATOM 176 H HIS A 20 2.472 8.058 9.517 1.00 0.00 H
|
|
ATOM 177 HD1 HIS A 20 0.226 9.797 5.306 1.00 0.00 H
|
|
ATOM 178 HE2 HIS A 20 -3.628 9.768 6.238 1.00 0.00 H
|
|
ATOM 179 N SER A 21 0.535 6.358 6.354 1.00 54.36 N
|
|
ATOM 180 CA SER A 21 1.057 5.528 5.265 1.00 52.80 C
|
|
ATOM 181 C SER A 21 2.204 6.221 4.504 1.00 52.38 C
|
|
ATOM 182 O SER A 21 3.242 5.606 4.237 1.00 51.68 O
|
|
ATOM 183 CB SER A 21 -0.081 5.142 4.322 1.00 51.54 C
|
|
ATOM 184 OG SER A 21 -0.940 6.237 4.107 1.00 51.51 O
|
|
ATOM 185 H SER A 21 -0.408 6.625 6.348 1.00 0.00 H
|
|
ATOM 186 HG SER A 21 -1.720 5.940 3.628 1.00 0.00 H
|
|
ATOM 187 N THR A 22 2.030 7.509 4.195 1.00 52.22 N
|
|
ATOM 188 CA THR A 22 3.058 8.284 3.475 1.00 52.84 C
|
|
ATOM 189 C THR A 22 4.294 8.548 4.334 1.00 50.76 C
|
|
ATOM 190 O THR A 22 5.358 8.913 3.827 1.00 50.70 O
|
|
ATOM 191 CB THR A 22 2.503 9.648 3.031 1.00 54.77 C
|
|
ATOM 192 OG1 THR A 22 1.746 10.224 4.115 1.00 57.43 O
|
|
ATOM 193 CG2 THR A 22 1.604 9.504 1.816 1.00 56.57 C
|
|
ATOM 194 H THR A 22 1.193 7.951 4.445 1.00 0.00 H
|
|
ATOM 195 HG1 THR A 22 1.603 11.155 3.928 1.00 0.00 H
|
|
ATOM 196 N GLY A 23 4.142 8.376 5.635 1.00 49.11 N
|
|
ATOM 197 CA GLY A 23 5.238 8.640 6.541 1.00 45.68 C
|
|
ATOM 198 C GLY A 23 4.739 9.133 7.876 1.00 43.53 C
|
|
ATOM 199 O GLY A 23 3.521 9.157 8.138 1.00 42.97 O
|
|
ATOM 200 H GLY A 23 3.287 8.054 5.988 1.00 0.00 H
|
|
ATOM 201 N SER A 24 5.655 9.533 8.719 1.00 40.66 N
|
|
ATOM 202 CA SER A 24 5.279 10.004 10.026 1.00 38.67 C
|
|
ATOM 203 C SER A 24 5.066 11.517 10.046 1.00 36.42 C
|
|
ATOM 204 O SER A 24 5.714 12.267 9.291 1.00 34.95 O
|
|
ATOM 205 CB SER A 24 6.335 9.598 11.029 1.00 39.09 C
|
|
ATOM 206 OG SER A 24 7.622 9.743 10.472 1.00 44.40 O
|
|
ATOM 207 H SER A 24 6.597 9.521 8.458 1.00 0.00 H
|
|
ATOM 208 HG SER A 24 7.777 9.032 9.837 1.00 0.00 H
|
|
ATOM 209 N ILE A 25 4.129 11.946 10.890 1.00 32.56 N
|
|
ATOM 210 CA ILE A 25 3.824 13.356 11.064 1.00 29.27 C
|
|
ATOM 211 C ILE A 25 4.108 13.725 12.516 1.00 27.24 C
|
|
ATOM 212 O ILE A 25 3.698 13.017 13.431 1.00 26.25 O
|
|
ATOM 213 CB ILE A 25 2.354 13.628 10.682 1.00 30.38 C
|
|
ATOM 214 CG1 ILE A 25 2.172 13.204 9.219 1.00 33.50 C
|
|
ATOM 215 CG2 ILE A 25 2.011 15.105 10.843 1.00 28.01 C
|
|
ATOM 216 CD1 ILE A 25 0.746 13.027 8.780 1.00 35.33 C
|
|
ATOM 217 H ILE A 25 3.628 11.287 11.414 1.00 0.00 H
|
|
ATOM 218 N MET A 26 4.821 14.815 12.713 1.00 24.03 N
|
|
ATOM 219 CA MET A 26 5.282 15.188 14.040 1.00 22.95 C
|
|
ATOM 220 C MET A 26 4.649 16.463 14.576 1.00 23.00 C
|
|
ATOM 221 O MET A 26 4.398 17.426 13.832 1.00 19.80 O
|
|
ATOM 222 CB MET A 26 6.800 15.397 14.034 1.00 22.54 C
|
|
ATOM 223 CG MET A 26 7.632 14.152 13.821 1.00 22.25 C
|
|
ATOM 224 SD MET A 26 9.393 14.520 13.783 1.00 27.59 S
|
|
ATOM 225 CE MET A 26 10.026 13.008 13.046 1.00 27.15 C
|
|
ATOM 226 H MET A 26 5.012 15.401 11.961 1.00 0.00 H
|
|
ATOM 227 N LYS A 27 4.443 16.453 15.891 1.00 23.73 N
|
|
ATOM 228 CA LYS A 27 3.998 17.625 16.632 1.00 23.46 C
|
|
ATOM 229 C LYS A 27 4.942 17.793 17.828 1.00 22.79 C
|
|
ATOM 230 O LYS A 27 5.244 16.813 18.522 1.00 22.50 O
|
|
ATOM 231 CB LYS A 27 2.550 17.459 17.133 1.00 24.99 C
|
|
ATOM 232 CG LYS A 27 2.055 18.665 17.923 1.00 27.08 C
|
|
ATOM 233 CD LYS A 27 0.574 18.594 18.223 1.00 29.52 C
|
|
ATOM 234 CE LYS A 27 0.272 17.523 19.243 1.00 32.06 C
|
|
ATOM 235 NZ LYS A 27 -1.178 17.499 19.580 1.00 35.59 N
|
|
ATOM 236 H LYS A 27 4.599 15.620 16.384 1.00 0.00 H
|
|
ATOM 237 HZ1 LYS A 27 -1.732 17.319 18.719 1.00 0.00 H
|
|
ATOM 238 HZ2 LYS A 27 -1.359 16.745 20.272 1.00 0.00 H
|
|
ATOM 239 HZ3 LYS A 27 -1.452 18.414 19.986 1.00 0.00 H
|
|
ATOM 240 N ARG A 28 5.455 19.003 18.033 1.00 21.34 N
|
|
ATOM 241 CA ARG A 28 6.361 19.253 19.141 1.00 21.22 C
|
|
ATOM 242 C ARG A 28 5.615 19.292 20.464 1.00 20.99 C
|
|
ATOM 243 O ARG A 28 4.534 19.902 20.557 1.00 20.62 O
|
|
ATOM 244 CB ARG A 28 7.090 20.582 18.971 1.00 20.55 C
|
|
ATOM 245 CG ARG A 28 8.119 20.580 17.884 1.00 23.75 C
|
|
ATOM 246 CD ARG A 28 9.092 21.725 18.053 1.00 24.37 C
|
|
ATOM 247 NE ARG A 28 8.452 23.024 17.897 1.00 22.21 N
|
|
ATOM 248 CZ ARG A 28 8.906 23.947 17.062 1.00 22.16 C
|
|
ATOM 249 NH1 ARG A 28 9.932 23.686 16.260 1.00 21.40 N
|
|
ATOM 250 NH2 ARG A 28 8.314 25.124 17.006 1.00 22.10 N
|
|
ATOM 251 H ARG A 28 5.216 19.737 17.429 1.00 0.00 H
|
|
ATOM 252 HE ARG A 28 7.659 23.223 18.432 1.00 0.00 H
|
|
ATOM 253 HH11 ARG A 28 10.372 22.788 16.284 1.00 0.00 H
|
|
ATOM 254 HH12 ARG A 28 10.278 24.394 15.642 1.00 0.00 H
|
|
ATOM 255 HH21 ARG A 28 7.520 25.312 17.581 1.00 0.00 H
|
|
ATOM 256 HH22 ARG A 28 8.657 25.824 16.379 1.00 0.00 H
|
|
ATOM 257 N LYS A 29 6.215 18.701 21.488 1.00 20.40 N
|
|
ATOM 258 CA LYS A 29 5.601 18.678 22.813 1.00 22.71 C
|
|
ATOM 259 C LYS A 29 5.623 20.043 23.491 1.00 22.45 C
|
|
ATOM 260 O LYS A 29 4.669 20.397 24.190 1.00 21.87 O
|
|
ATOM 261 CB LYS A 29 6.298 17.668 23.723 1.00 25.87 C
|
|
ATOM 262 CG LYS A 29 6.214 16.228 23.225 1.00 31.52 C
|
|
ATOM 263 CD LYS A 29 6.749 15.268 24.259 1.00 32.96 C
|
|
ATOM 264 CE LYS A 29 6.701 13.831 23.781 1.00 33.83 C
|
|
ATOM 265 NZ LYS A 29 7.106 12.908 24.868 1.00 35.21 N
|
|
ATOM 266 H LYS A 29 7.088 18.274 21.356 1.00 0.00 H
|
|
ATOM 267 HZ1 LYS A 29 6.552 13.117 25.721 1.00 0.00 H
|
|
ATOM 268 HZ2 LYS A 29 6.929 11.933 24.575 1.00 0.00 H
|
|
ATOM 269 HZ3 LYS A 29 8.116 13.033 25.071 1.00 0.00 H
|
|
ATOM 270 N LYS A 30 6.693 20.822 23.275 1.00 21.91 N
|
|
ATOM 271 CA LYS A 30 6.818 22.108 23.970 1.00 22.50 C
|
|
ATOM 272 C LYS A 30 5.797 23.154 23.535 1.00 22.00 C
|
|
ATOM 273 O LYS A 30 5.348 23.925 24.374 1.00 21.27 O
|
|
ATOM 274 CB LYS A 30 8.230 22.683 23.839 1.00 23.91 C
|
|
ATOM 275 CG LYS A 30 8.602 23.159 22.448 1.00 30.91 C
|
|
ATOM 276 CD LYS A 30 10.047 23.652 22.422 1.00 35.19 C
|
|
ATOM 277 CE LYS A 30 10.510 24.019 21.007 1.00 36.53 C
|
|
ATOM 278 NZ LYS A 30 9.871 25.274 20.519 1.00 36.17 N
|
|
ATOM 279 H LYS A 30 7.397 20.528 22.662 1.00 0.00 H
|
|
ATOM 280 HZ1 LYS A 30 8.838 25.181 20.585 1.00 0.00 H
|
|
ATOM 281 HZ2 LYS A 30 10.185 26.073 21.106 1.00 0.00 H
|
|
ATOM 282 HZ3 LYS A 30 10.142 25.441 19.531 1.00 0.00 H
|
|
ATOM 283 N ASP A 31 5.401 23.183 22.245 1.00 18.95 N
|
|
ATOM 284 CA ASP A 31 4.499 24.232 21.794 1.00 20.45 C
|
|
ATOM 285 C ASP A 31 3.382 23.785 20.872 1.00 21.56 C
|
|
ATOM 286 O ASP A 31 2.634 24.636 20.361 1.00 23.45 O
|
|
ATOM 287 CB ASP A 31 5.298 25.339 21.113 1.00 21.42 C
|
|
ATOM 288 CG ASP A 31 6.231 24.825 20.027 1.00 26.39 C
|
|
ATOM 289 OD1 ASP A 31 6.013 23.695 19.518 1.00 25.20 O
|
|
ATOM 290 OD2 ASP A 31 7.181 25.546 19.686 1.00 24.41 O
|
|
ATOM 291 H ASP A 31 5.715 22.499 21.621 1.00 0.00 H
|
|
ATOM 292 N ASP A 32 3.265 22.484 20.634 1.00 21.07 N
|
|
ATOM 293 CA ASP A 32 2.221 21.961 19.749 1.00 21.22 C
|
|
ATOM 294 C ASP A 32 2.374 22.381 18.293 1.00 20.57 C
|
|
ATOM 295 O ASP A 32 1.426 22.253 17.511 1.00 22.37 O
|
|
ATOM 296 CB ASP A 32 0.809 22.358 20.226 1.00 23.08 C
|
|
ATOM 297 CG ASP A 32 0.375 21.651 21.495 1.00 25.24 C
|
|
ATOM 298 OD1 ASP A 32 1.027 20.663 21.882 1.00 26.63 O
|
|
ATOM 299 OD2 ASP A 32 -0.615 22.083 22.104 1.00 26.97 O
|
|
ATOM 300 H ASP A 32 3.881 21.858 21.068 1.00 0.00 H
|
|
ATOM 301 N TRP A 33 3.525 22.886 17.903 1.00 18.75 N
|
|
ATOM 302 CA TRP A 33 3.708 23.213 16.488 1.00 20.17 C
|
|
ATOM 303 C TRP A 33 3.768 21.917 15.706 1.00 20.21 C
|
|
ATOM 304 O TRP A 33 4.182 20.893 16.259 1.00 20.80 O
|
|
ATOM 305 CB TRP A 33 4.991 24.009 16.266 1.00 20.31 C
|
|
ATOM 306 CG TRP A 33 4.872 25.450 16.661 1.00 22.77 C
|
|
ATOM 307 CD1 TRP A 33 4.129 25.972 17.696 1.00 23.36 C
|
|
ATOM 308 CD2 TRP A 33 5.470 26.570 15.984 1.00 23.95 C
|
|
ATOM 309 NE1 TRP A 33 4.240 27.334 17.673 1.00 22.96 N
|
|
ATOM 310 CE2 TRP A 33 5.046 27.743 16.657 1.00 22.56 C
|
|
ATOM 311 CE3 TRP A 33 6.318 26.696 14.877 1.00 22.29 C
|
|
ATOM 312 CZ2 TRP A 33 5.442 29.023 16.257 1.00 24.90 C
|
|
ATOM 313 CZ3 TRP A 33 6.702 27.969 14.481 1.00 25.00 C
|
|
ATOM 314 CH2 TRP A 33 6.268 29.117 15.169 1.00 24.02 C
|
|
ATOM 315 H TRP A 33 4.245 23.030 18.542 1.00 0.00 H
|
|
ATOM 316 HE1 TRP A 33 3.780 27.938 18.295 1.00 0.00 H
|
|
ATOM 317 N VAL A 34 3.368 21.950 14.440 1.00 20.68 N
|
|
ATOM 318 CA VAL A 34 3.355 20.734 13.613 1.00 18.96 C
|
|
ATOM 319 C VAL A 34 4.219 20.947 12.371 1.00 20.18 C
|
|
ATOM 320 O VAL A 34 4.331 22.074 11.871 1.00 18.53 O
|
|
ATOM 321 CB VAL A 34 1.892 20.385 13.183 1.00 20.63 C
|
|
ATOM 322 CG1 VAL A 34 1.843 19.102 12.349 1.00 17.40 C
|
|
ATOM 323 CG2 VAL A 34 1.006 20.252 14.422 1.00 19.03 C
|
|
ATOM 324 H VAL A 34 3.075 22.803 14.050 1.00 0.00 H
|
|
ATOM 325 N ASN A 35 4.858 19.876 11.891 1.00 18.57 N
|
|
ATOM 326 CA ASN A 35 5.684 19.962 10.692 1.00 18.84 C
|
|
ATOM 327 C ASN A 35 4.771 20.026 9.459 1.00 19.27 C
|
|
ATOM 328 O ASN A 35 4.149 19.040 9.101 1.00 20.41 O
|
|
ATOM 329 CB ASN A 35 6.607 18.737 10.627 1.00 18.29 C
|
|
ATOM 330 CG ASN A 35 7.711 18.858 9.586 1.00 19.87 C
|
|
ATOM 331 OD1 ASN A 35 7.497 19.373 8.481 1.00 23.76 O
|
|
ATOM 332 ND2 ASN A 35 8.909 18.410 9.922 1.00 17.21 N
|
|
ATOM 333 H ASN A 35 4.769 19.017 12.356 1.00 0.00 H
|
|
ATOM 334 N ALA A 36 4.686 21.185 8.820 1.00 18.30 N
|
|
ATOM 335 CA ALA A 36 3.779 21.366 7.681 1.00 20.19 C
|
|
ATOM 336 C ALA A 36 4.218 20.577 6.451 1.00 20.67 C
|
|
ATOM 337 O ALA A 36 3.395 20.256 5.596 1.00 21.70 O
|
|
ATOM 338 CB ALA A 36 3.662 22.854 7.326 1.00 20.68 C
|
|
ATOM 339 H ALA A 36 5.227 21.939 9.126 1.00 0.00 H
|
|
ATOM 340 N THR A 37 5.520 20.304 6.337 1.00 20.05 N
|
|
ATOM 341 CA THR A 37 6.027 19.490 5.233 1.00 21.46 C
|
|
ATOM 342 C THR A 37 5.430 18.061 5.316 1.00 23.26 C
|
|
ATOM 343 O THR A 37 5.035 17.455 4.301 1.00 22.30 O
|
|
ATOM 344 CB THR A 37 7.565 19.411 5.296 1.00 22.61 C
|
|
ATOM 345 OG1 THR A 37 8.110 20.735 5.383 1.00 21.49 O
|
|
ATOM 346 CG2 THR A 37 8.117 18.703 4.063 1.00 24.86 C
|
|
ATOM 347 H THR A 37 6.144 20.670 6.994 1.00 0.00 H
|
|
ATOM 348 HG1 THR A 37 7.816 21.252 4.621 1.00 0.00 H
|
|
ATOM 349 N HIS A 38 5.356 17.534 6.551 1.00 22.61 N
|
|
ATOM 350 CA HIS A 38 4.747 16.236 6.788 1.00 22.32 C
|
|
ATOM 351 C HIS A 38 3.266 16.262 6.404 1.00 23.66 C
|
|
ATOM 352 O HIS A 38 2.720 15.268 5.928 1.00 24.58 O
|
|
ATOM 353 CB HIS A 38 4.859 15.863 8.257 1.00 20.45 C
|
|
ATOM 354 CG HIS A 38 6.246 15.623 8.731 1.00 20.07 C
|
|
ATOM 355 ND1 HIS A 38 6.563 15.505 10.070 1.00 19.75 N
|
|
ATOM 356 CD2 HIS A 38 7.419 15.519 8.069 1.00 20.62 C
|
|
ATOM 357 CE1 HIS A 38 7.858 15.336 10.243 1.00 21.58 C
|
|
ATOM 358 NE2 HIS A 38 8.380 15.347 9.033 1.00 21.07 N
|
|
ATOM 359 H HIS A 38 5.719 18.035 7.308 1.00 0.00 H
|
|
ATOM 360 HD1 HIS A 38 5.914 15.546 10.794 1.00 0.00 H
|
|
ATOM 361 HE2 HIS A 38 9.344 15.267 8.845 1.00 0.00 H
|
|
ATOM 362 N ILE A 39 2.600 17.377 6.659 1.00 22.79 N
|
|
ATOM 363 CA ILE A 39 1.189 17.509 6.277 1.00 25.79 C
|
|
ATOM 364 C ILE A 39 1.049 17.441 4.739 1.00 27.01 C
|
|
ATOM 365 O ILE A 39 0.113 16.832 4.209 1.00 27.50 O
|
|
ATOM 366 CB ILE A 39 0.593 18.857 6.784 1.00 25.78 C
|
|
ATOM 367 CG1 ILE A 39 0.451 18.822 8.308 1.00 25.82 C
|
|
ATOM 368 CG2 ILE A 39 -0.753 19.136 6.133 1.00 25.83 C
|
|
ATOM 369 CD1 ILE A 39 -0.033 20.127 8.900 1.00 26.05 C
|
|
ATOM 370 H ILE A 39 3.050 18.121 7.112 1.00 0.00 H
|
|
ATOM 371 N LEU A 40 1.986 18.075 4.038 1.00 27.04 N
|
|
ATOM 372 CA LEU A 40 1.953 18.101 2.581 1.00 28.05 C
|
|
ATOM 373 C LEU A 40 2.329 16.742 1.996 1.00 28.75 C
|
|
ATOM 374 O LEU A 40 1.788 16.329 0.960 1.00 29.82 O
|
|
ATOM 375 CB LEU A 40 2.879 19.202 2.054 1.00 27.15 C
|
|
ATOM 376 CG LEU A 40 2.515 20.627 2.472 1.00 27.87 C
|
|
ATOM 377 CD1 LEU A 40 3.470 21.612 1.841 1.00 26.87 C
|
|
ATOM 378 CD2 LEU A 40 1.078 20.936 2.072 1.00 27.13 C
|
|
ATOM 379 H LEU A 40 2.709 18.541 4.512 1.00 0.00 H
|
|
ATOM 380 N LYS A 41 3.242 16.043 2.643 1.00 29.67 N
|
|
ATOM 381 CA LYS A 41 3.570 14.693 2.203 1.00 32.88 C
|
|
ATOM 382 C LYS A 41 2.353 13.772 2.380 1.00 32.92 C
|
|
ATOM 383 O LYS A 41 2.113 12.887 1.562 1.00 33.65 O
|
|
ATOM 384 CB LYS A 41 4.764 14.129 2.980 1.00 35.05 C
|
|
ATOM 385 CG LYS A 41 6.078 14.828 2.690 1.00 40.79 C
|
|
ATOM 386 CD LYS A 41 7.262 14.033 3.222 1.00 45.43 C
|
|
ATOM 387 CE LYS A 41 8.571 14.734 2.889 1.00 49.42 C
|
|
ATOM 388 NZ LYS A 41 9.755 13.979 3.371 1.00 52.09 N
|
|
ATOM 389 H LYS A 41 3.699 16.431 3.415 1.00 0.00 H
|
|
ATOM 390 HZ1 LYS A 41 9.699 13.866 4.403 1.00 0.00 H
|
|
ATOM 391 HZ2 LYS A 41 9.776 13.041 2.920 1.00 0.00 H
|
|
ATOM 392 HZ3 LYS A 41 10.619 14.502 3.124 1.00 0.00 H
|
|
ATOM 393 N ALA A 42 1.581 13.997 3.446 1.00 32.20 N
|
|
ATOM 394 CA ALA A 42 0.382 13.209 3.702 1.00 32.15 C
|
|
ATOM 395 C ALA A 42 -0.678 13.434 2.618 1.00 33.55 C
|
|
ATOM 396 O ALA A 42 -1.459 12.535 2.319 1.00 33.31 O
|
|
ATOM 397 CB ALA A 42 -0.179 13.540 5.083 1.00 31.12 C
|
|
ATOM 398 H ALA A 42 1.831 14.705 4.078 1.00 0.00 H
|
|
ATOM 399 N ALA A 43 -0.704 14.637 2.027 1.00 34.01 N
|
|
ATOM 400 CA ALA A 43 -1.639 14.935 0.940 1.00 34.26 C
|
|
ATOM 401 C ALA A 43 -1.164 14.317 -0.400 1.00 35.09 C
|
|
ATOM 402 O ALA A 43 -1.780 14.532 -1.444 1.00 36.00 O
|
|
ATOM 403 CB ALA A 43 -1.812 16.443 0.800 1.00 32.11 C
|
|
ATOM 404 H ALA A 43 -0.088 15.334 2.334 1.00 0.00 H
|
|
ATOM 405 N ASN A 44 -0.054 13.575 -0.350 1.00 35.94 N
|
|
ATOM 406 CA ASN A 44 0.485 12.867 -1.520 1.00 37.87 C
|
|
ATOM 407 C ASN A 44 1.070 13.799 -2.591 1.00 36.65 C
|
|
ATOM 408 O ASN A 44 1.132 13.449 -3.777 1.00 37.27 O
|
|
ATOM 409 CB ASN A 44 -0.587 11.961 -2.122 1.00 41.40 C
|
|
ATOM 410 CG ASN A 44 -1.094 10.943 -1.116 1.00 46.56 C
|
|
ATOM 411 OD1 ASN A 44 -2.261 10.973 -0.701 1.00 49.78 O
|
|
ATOM 412 ND2 ASN A 44 -0.215 10.039 -0.707 1.00 48.00 N
|
|
ATOM 413 H ASN A 44 0.421 13.500 0.500 1.00 0.00 H
|
|
ATOM 414 HD21 ASN A 44 -0.504 9.368 -0.057 1.00 0.00 H
|
|
ATOM 415 HD22 ASN A 44 0.693 10.076 -1.076 1.00 0.00 H
|
|
ATOM 416 N PHE A 45 1.542 14.961 -2.165 1.00 33.67 N
|
|
ATOM 417 CA PHE A 45 2.126 15.914 -3.079 1.00 31.23 C
|
|
ATOM 418 C PHE A 45 3.596 15.632 -3.306 1.00 31.80 C
|
|
ATOM 419 O PHE A 45 4.332 15.338 -2.381 1.00 32.20 O
|
|
ATOM 420 CB PHE A 45 1.945 17.322 -2.540 1.00 31.12 C
|
|
ATOM 421 CG PHE A 45 0.517 17.781 -2.553 1.00 33.41 C
|
|
ATOM 422 CD1 PHE A 45 -0.390 17.273 -3.496 1.00 32.61 C
|
|
ATOM 423 CD2 PHE A 45 0.076 18.765 -1.663 1.00 33.98 C
|
|
ATOM 424 CE1 PHE A 45 -1.696 17.732 -3.548 1.00 32.35 C
|
|
ATOM 425 CE2 PHE A 45 -1.239 19.230 -1.713 1.00 34.17 C
|
|
ATOM 426 CZ PHE A 45 -2.122 18.716 -2.658 1.00 33.76 C
|
|
ATOM 427 H PHE A 45 1.504 15.175 -1.209 1.00 0.00 H
|
|
ATOM 428 N ALA A 46 4.016 15.712 -4.549 1.00 31.48 N
|
|
ATOM 429 CA ALA A 46 5.402 15.509 -4.899 1.00 30.26 C
|
|
ATOM 430 C ALA A 46 6.235 16.683 -4.414 1.00 30.35 C
|
|
ATOM 431 O ALA A 46 5.724 17.782 -4.212 1.00 28.10 O
|
|
ATOM 432 CB ALA A 46 5.546 15.368 -6.420 1.00 30.02 C
|
|
ATOM 433 H ALA A 46 3.373 15.924 -5.256 1.00 0.00 H
|
|
ATOM 434 N LYS A 47 7.531 16.442 -4.304 1.00 32.10 N
|
|
ATOM 435 CA LYS A 47 8.483 17.418 -3.792 1.00 32.24 C
|
|
ATOM 436 C LYS A 47 8.395 18.800 -4.429 1.00 30.73 C
|
|
ATOM 437 O LYS A 47 8.277 19.801 -3.722 1.00 30.50 O
|
|
ATOM 438 CB LYS A 47 9.899 16.853 -3.944 1.00 37.40 C
|
|
ATOM 439 CG LYS A 47 10.972 17.841 -3.565 1.00 42.56 C
|
|
ATOM 440 CD LYS A 47 12.341 17.207 -3.556 1.00 46.91 C
|
|
ATOM 441 CE LYS A 47 13.321 18.163 -2.910 1.00 50.20 C
|
|
ATOM 442 NZ LYS A 47 12.820 18.645 -1.584 1.00 52.19 N
|
|
ATOM 443 H LYS A 47 7.867 15.565 -4.578 1.00 0.00 H
|
|
ATOM 444 HZ1 LYS A 47 12.666 17.831 -0.956 1.00 0.00 H
|
|
ATOM 445 HZ2 LYS A 47 13.522 19.283 -1.159 1.00 0.00 H
|
|
ATOM 446 HZ3 LYS A 47 11.922 19.155 -1.715 1.00 0.00 H
|
|
ATOM 447 N ALA A 48 8.475 18.884 -5.757 1.00 29.18 N
|
|
ATOM 448 CA ALA A 48 8.416 20.192 -6.406 1.00 27.07 C
|
|
ATOM 449 C ALA A 48 7.120 20.934 -6.061 1.00 26.43 C
|
|
ATOM 450 O ALA A 48 7.125 22.153 -5.856 1.00 26.30 O
|
|
ATOM 451 CB ALA A 48 8.549 20.032 -7.907 1.00 27.43 C
|
|
ATOM 452 H ALA A 48 8.573 18.072 -6.295 1.00 0.00 H
|
|
ATOM 453 N LYS A 49 6.004 20.204 -5.990 1.00 25.81 N
|
|
ATOM 454 CA LYS A 49 4.739 20.835 -5.644 1.00 25.14 C
|
|
ATOM 455 C LYS A 49 4.708 21.228 -4.149 1.00 26.02 C
|
|
ATOM 456 O LYS A 49 4.271 22.333 -3.807 1.00 26.28 O
|
|
ATOM 457 CB LYS A 49 3.557 19.911 -5.998 1.00 23.26 C
|
|
ATOM 458 CG LYS A 49 2.204 20.550 -5.749 1.00 21.88 C
|
|
ATOM 459 CD LYS A 49 1.068 19.673 -6.205 1.00 21.75 C
|
|
ATOM 460 CE LYS A 49 -0.261 20.341 -5.886 1.00 23.25 C
|
|
ATOM 461 NZ LYS A 49 -1.431 19.580 -6.417 1.00 25.36 N
|
|
ATOM 462 H LYS A 49 6.035 19.244 -6.171 1.00 0.00 H
|
|
ATOM 463 HZ1 LYS A 49 -1.317 19.440 -7.442 1.00 0.00 H
|
|
ATOM 464 HZ2 LYS A 49 -1.486 18.656 -5.945 1.00 0.00 H
|
|
ATOM 465 HZ3 LYS A 49 -2.302 20.115 -6.235 1.00 0.00 H
|
|
ATOM 466 N ARG A 50 5.175 20.346 -3.257 1.00 26.65 N
|
|
ATOM 467 CA ARG A 50 5.214 20.698 -1.829 1.00 28.25 C
|
|
ATOM 468 C ARG A 50 6.004 21.993 -1.639 1.00 29.71 C
|
|
ATOM 469 O ARG A 50 5.571 22.889 -0.911 1.00 29.79 O
|
|
ATOM 470 CB ARG A 50 5.861 19.596 -0.974 1.00 28.86 C
|
|
ATOM 471 CG ARG A 50 5.095 18.281 -0.903 1.00 29.69 C
|
|
ATOM 472 CD ARG A 50 5.631 17.384 0.212 1.00 31.10 C
|
|
ATOM 473 NE ARG A 50 7.081 17.183 0.132 1.00 33.71 N
|
|
ATOM 474 CZ ARG A 50 7.649 16.086 -0.374 1.00 32.93 C
|
|
ATOM 475 NH1 ARG A 50 6.913 15.086 -0.812 1.00 33.08 N
|
|
ATOM 476 NH2 ARG A 50 8.962 15.997 -0.433 1.00 34.05 N
|
|
ATOM 477 H ARG A 50 5.491 19.468 -3.555 1.00 0.00 H
|
|
ATOM 478 HE ARG A 50 7.666 17.894 0.470 1.00 0.00 H
|
|
ATOM 479 HH11 ARG A 50 5.915 15.141 -0.768 1.00 0.00 H
|
|
ATOM 480 HH12 ARG A 50 7.351 14.268 -1.183 1.00 0.00 H
|
|
ATOM 481 HH21 ARG A 50 9.530 16.754 -0.109 1.00 0.00 H
|
|
ATOM 482 HH22 ARG A 50 9.390 15.182 -0.821 1.00 0.00 H
|
|
ATOM 483 N THR A 51 7.156 22.103 -2.293 1.00 30.60 N
|
|
ATOM 484 CA THR A 51 7.940 23.328 -2.202 1.00 34.13 C
|
|
ATOM 485 C THR A 51 7.126 24.546 -2.664 1.00 36.23 C
|
|
ATOM 486 O THR A 51 7.116 25.572 -1.989 1.00 37.79 O
|
|
ATOM 487 CB THR A 51 9.229 23.248 -3.045 1.00 34.90 C
|
|
ATOM 488 OG1 THR A 51 10.012 22.129 -2.618 1.00 37.41 O
|
|
ATOM 489 CG2 THR A 51 10.053 24.516 -2.883 1.00 34.97 C
|
|
ATOM 490 H THR A 51 7.478 21.356 -2.840 1.00 0.00 H
|
|
ATOM 491 HG1 THR A 51 10.112 22.153 -1.662 1.00 0.00 H
|
|
ATOM 492 N ARG A 52 6.437 24.426 -3.808 1.00 36.91 N
|
|
ATOM 493 CA ARG A 52 5.643 25.532 -4.334 1.00 37.18 C
|
|
ATOM 494 C ARG A 52 4.606 25.971 -3.336 1.00 36.76 C
|
|
ATOM 495 O ARG A 52 4.440 27.160 -3.082 1.00 36.25 O
|
|
ATOM 496 CB ARG A 52 4.936 25.144 -5.645 1.00 40.06 C
|
|
ATOM 497 CG ARG A 52 5.789 25.346 -6.882 1.00 46.55 C
|
|
ATOM 498 CD ARG A 52 5.012 25.112 -8.177 1.00 50.64 C
|
|
ATOM 499 NE ARG A 52 4.800 23.686 -8.469 1.00 54.17 N
|
|
ATOM 500 CZ ARG A 52 3.586 23.152 -8.595 1.00 55.29 C
|
|
ATOM 501 NH1 ARG A 52 2.510 23.914 -8.453 1.00 55.77 N
|
|
ATOM 502 NH2 ARG A 52 3.448 21.863 -8.859 1.00 54.72 N
|
|
ATOM 503 H ARG A 52 6.465 23.577 -4.298 1.00 0.00 H
|
|
ATOM 504 HE ARG A 52 5.582 23.107 -8.573 1.00 0.00 H
|
|
ATOM 505 HH11 ARG A 52 2.609 24.886 -8.243 1.00 0.00 H
|
|
ATOM 506 HH12 ARG A 52 1.601 23.516 -8.532 1.00 0.00 H
|
|
ATOM 507 HH21 ARG A 52 4.256 21.283 -8.962 1.00 0.00 H
|
|
ATOM 508 HH22 ARG A 52 2.534 21.466 -8.949 1.00 0.00 H
|
|
ATOM 509 N ILE A 53 3.911 25.007 -2.763 1.00 35.47 N
|
|
ATOM 510 CA ILE A 53 2.880 25.315 -1.797 1.00 34.72 C
|
|
ATOM 511 C ILE A 53 3.469 25.944 -0.519 1.00 36.40 C
|
|
ATOM 512 O ILE A 53 2.917 26.915 0.007 1.00 35.83 O
|
|
ATOM 513 CB ILE A 53 2.060 24.063 -1.457 1.00 32.23 C
|
|
ATOM 514 CG1 ILE A 53 1.312 23.604 -2.722 1.00 29.11 C
|
|
ATOM 515 CG2 ILE A 53 1.091 24.371 -0.326 1.00 31.92 C
|
|
ATOM 516 CD1 ILE A 53 0.519 22.328 -2.562 1.00 26.86 C
|
|
ATOM 517 H ILE A 53 4.101 24.073 -2.991 1.00 0.00 H
|
|
ATOM 518 N LEU A 54 4.593 25.421 -0.035 1.00 37.08 N
|
|
ATOM 519 CA LEU A 54 5.218 26.007 1.135 1.00 40.29 C
|
|
ATOM 520 C LEU A 54 5.580 27.455 0.843 1.00 44.75 C
|
|
ATOM 521 O LEU A 54 5.191 28.352 1.593 1.00 46.69 O
|
|
ATOM 522 CB LEU A 54 6.455 25.213 1.570 1.00 36.32 C
|
|
ATOM 523 CG LEU A 54 6.184 23.848 2.250 1.00 35.63 C
|
|
ATOM 524 CD1 LEU A 54 7.482 23.082 2.415 1.00 35.47 C
|
|
ATOM 525 CD2 LEU A 54 5.495 24.031 3.599 1.00 32.30 C
|
|
ATOM 526 H LEU A 54 4.995 24.636 -0.465 1.00 0.00 H
|
|
ATOM 527 N GLU A 55 6.255 27.694 -0.278 1.00 48.95 N
|
|
ATOM 528 CA GLU A 55 6.653 29.057 -0.641 1.00 53.87 C
|
|
ATOM 529 C GLU A 55 5.475 30.011 -0.879 1.00 55.01 C
|
|
ATOM 530 O GLU A 55 5.632 31.220 -0.716 1.00 56.05 O
|
|
ATOM 531 CB GLU A 55 7.559 29.061 -1.867 1.00 56.02 C
|
|
ATOM 532 CG GLU A 55 8.998 28.661 -1.574 1.00 61.71 C
|
|
ATOM 533 CD GLU A 55 9.913 28.817 -2.782 1.00 65.77 C
|
|
ATOM 534 OE1 GLU A 55 9.578 29.620 -3.692 1.00 67.68 O
|
|
ATOM 535 OE2 GLU A 55 10.972 28.141 -2.825 1.00 67.99 O
|
|
ATOM 536 H GLU A 55 6.487 26.949 -0.871 1.00 0.00 H
|
|
ATOM 537 N LYS A 56 4.300 29.504 -1.233 1.00 56.16 N
|
|
ATOM 538 CA LYS A 56 3.190 30.407 -1.512 1.00 57.49 C
|
|
ATOM 539 C LYS A 56 2.177 30.484 -0.374 1.00 57.70 C
|
|
ATOM 540 O LYS A 56 1.709 31.565 -0.027 1.00 58.88 O
|
|
ATOM 541 CB LYS A 56 2.462 30.010 -2.805 1.00 59.37 C
|
|
ATOM 542 CG LYS A 56 3.353 29.694 -4.000 1.00 60.92 C
|
|
ATOM 543 CD LYS A 56 4.379 30.776 -4.270 1.00 62.11 C
|
|
ATOM 544 CE LYS A 56 5.349 30.325 -5.346 1.00 62.44 C
|
|
ATOM 545 NZ LYS A 56 6.619 31.101 -5.312 1.00 63.21 N
|
|
ATOM 546 H LYS A 56 4.182 28.533 -1.316 1.00 0.00 H
|
|
ATOM 547 HZ1 LYS A 56 6.413 32.110 -5.451 1.00 0.00 H
|
|
ATOM 548 HZ2 LYS A 56 7.083 30.968 -4.390 1.00 0.00 H
|
|
ATOM 549 HZ3 LYS A 56 7.249 30.768 -6.070 1.00 0.00 H
|
|
ATOM 550 N GLU A 57 1.827 29.347 0.196 1.00 57.07 N
|
|
ATOM 551 CA GLU A 57 0.797 29.311 1.235 1.00 56.65 C
|
|
ATOM 552 C GLU A 57 1.332 29.368 2.684 1.00 54.52 C
|
|
ATOM 553 O GLU A 57 0.620 29.824 3.598 1.00 54.61 O
|
|
ATOM 554 CB GLU A 57 -0.062 28.043 1.078 1.00 59.13 C
|
|
ATOM 555 CG GLU A 57 -1.132 28.102 -0.004 1.00 63.67 C
|
|
ATOM 556 CD GLU A 57 -0.571 28.357 -1.387 1.00 67.30 C
|
|
ATOM 557 OE1 GLU A 57 -0.072 27.402 -2.017 1.00 69.12 O
|
|
ATOM 558 OE2 GLU A 57 -0.632 29.519 -1.849 1.00 70.26 O
|
|
ATOM 559 H GLU A 57 2.257 28.521 -0.082 1.00 0.00 H
|
|
ATOM 560 N VAL A 58 2.570 28.937 2.917 1.00 49.63 N
|
|
ATOM 561 CA VAL A 58 3.017 28.786 4.292 1.00 44.43 C
|
|
ATOM 562 C VAL A 58 4.100 29.778 4.744 1.00 42.78 C
|
|
ATOM 563 O VAL A 58 4.065 30.242 5.888 1.00 40.70 O
|
|
ATOM 564 CB VAL A 58 3.470 27.322 4.534 1.00 43.06 C
|
|
ATOM 565 CG1 VAL A 58 3.795 27.092 5.998 1.00 40.87 C
|
|
ATOM 566 CG2 VAL A 58 2.370 26.369 4.086 1.00 40.46 C
|
|
ATOM 567 H VAL A 58 3.172 28.726 2.171 1.00 0.00 H
|
|
ATOM 568 N LEU A 59 5.045 30.125 3.873 1.00 39.75 N
|
|
ATOM 569 CA LEU A 59 6.126 31.020 4.281 1.00 38.99 C
|
|
ATOM 570 C LEU A 59 5.649 32.438 4.643 1.00 38.81 C
|
|
ATOM 571 O LEU A 59 6.371 33.182 5.311 1.00 38.40 O
|
|
ATOM 572 CB LEU A 59 7.220 31.083 3.218 1.00 40.26 C
|
|
ATOM 573 CG LEU A 59 8.011 29.793 2.935 1.00 42.18 C
|
|
ATOM 574 CD1 LEU A 59 9.048 30.068 1.854 1.00 43.46 C
|
|
ATOM 575 CD2 LEU A 59 8.705 29.285 4.187 1.00 40.89 C
|
|
ATOM 576 H LEU A 59 5.019 29.775 2.957 1.00 0.00 H
|
|
ATOM 577 N LYS A 60 4.442 32.824 4.220 1.00 37.98 N
|
|
ATOM 578 CA LYS A 60 3.900 34.140 4.604 1.00 38.59 C
|
|
ATOM 579 C LYS A 60 3.195 34.061 5.973 1.00 36.39 C
|
|
ATOM 580 O LYS A 60 2.649 35.028 6.474 1.00 35.79 O
|
|
ATOM 581 CB LYS A 60 2.940 34.673 3.522 1.00 41.34 C
|
|
ATOM 582 CG LYS A 60 1.766 33.760 3.171 1.00 47.49 C
|
|
ATOM 583 CD LYS A 60 0.876 34.407 2.102 1.00 50.85 C
|
|
ATOM 584 CE LYS A 60 -0.508 33.757 2.010 1.00 53.27 C
|
|
ATOM 585 NZ LYS A 60 -0.459 32.368 1.466 1.00 54.66 N
|
|
ATOM 586 H LYS A 60 3.915 32.232 3.649 1.00 0.00 H
|
|
ATOM 587 HZ1 LYS A 60 0.153 31.784 2.070 1.00 0.00 H
|
|
ATOM 588 HZ2 LYS A 60 -1.418 31.967 1.451 1.00 0.00 H
|
|
ATOM 589 HZ3 LYS A 60 -0.076 32.388 0.500 1.00 0.00 H
|
|
ATOM 590 N GLU A 61 3.241 32.884 6.559 1.00 35.74 N
|
|
ATOM 591 CA GLU A 61 2.635 32.606 7.849 1.00 34.60 C
|
|
ATOM 592 C GLU A 61 3.719 32.560 8.935 1.00 30.62 C
|
|
ATOM 593 O GLU A 61 4.924 32.542 8.646 1.00 28.48 O
|
|
ATOM 594 CB GLU A 61 1.990 31.214 7.782 1.00 39.66 C
|
|
ATOM 595 CG GLU A 61 0.636 31.096 8.418 1.00 45.92 C
|
|
ATOM 596 CD GLU A 61 -0.377 31.877 7.639 1.00 48.95 C
|
|
ATOM 597 OE1 GLU A 61 -0.692 31.467 6.495 1.00 51.19 O
|
|
ATOM 598 OE2 GLU A 61 -0.850 32.904 8.161 1.00 51.71 O
|
|
ATOM 599 H GLU A 61 3.711 32.155 6.108 1.00 0.00 H
|
|
ATOM 600 N THR A 62 3.293 32.544 10.171 1.00 27.25 N
|
|
ATOM 601 CA THR A 62 4.222 32.307 11.253 1.00 25.63 C
|
|
ATOM 602 C THR A 62 4.784 30.874 11.059 1.00 24.77 C
|
|
ATOM 603 O THR A 62 4.029 29.932 10.840 1.00 25.37 O
|
|
ATOM 604 CB THR A 62 3.489 32.435 12.612 1.00 24.97 C
|
|
ATOM 605 OG1 THR A 62 3.032 33.783 12.735 1.00 26.20 O
|
|
ATOM 606 CG2 THR A 62 4.398 32.117 13.789 1.00 21.20 C
|
|
ATOM 607 H THR A 62 2.346 32.689 10.363 1.00 0.00 H
|
|
ATOM 608 HG1 THR A 62 2.683 34.075 11.886 1.00 0.00 H
|
|
ATOM 609 N HIS A 63 6.090 30.727 11.103 1.00 22.46 N
|
|
ATOM 610 CA HIS A 63 6.689 29.428 10.867 1.00 21.88 C
|
|
ATOM 611 C HIS A 63 8.151 29.435 11.272 1.00 22.48 C
|
|
ATOM 612 O HIS A 63 8.745 30.495 11.513 1.00 21.68 O
|
|
ATOM 613 CB HIS A 63 6.608 29.071 9.366 1.00 20.21 C
|
|
ATOM 614 CG HIS A 63 7.519 29.918 8.512 1.00 20.30 C
|
|
ATOM 615 ND1 HIS A 63 7.125 31.124 7.953 1.00 21.50 N
|
|
ATOM 616 CD2 HIS A 63 8.845 29.800 8.198 1.00 20.65 C
|
|
ATOM 617 CE1 HIS A 63 8.126 31.727 7.333 1.00 20.90 C
|
|
ATOM 618 NE2 HIS A 63 9.169 30.942 7.478 1.00 21.55 N
|
|
ATOM 619 H HIS A 63 6.663 31.500 11.309 1.00 0.00 H
|
|
ATOM 620 HD1 HIS A 63 6.209 31.477 7.991 1.00 0.00 H
|
|
ATOM 621 HE2 HIS A 63 10.052 31.147 7.133 1.00 0.00 H
|
|
ATOM 622 N GLU A 64 8.738 28.251 11.238 1.00 22.95 N
|
|
ATOM 623 CA GLU A 64 10.138 28.055 11.535 1.00 23.61 C
|
|
ATOM 624 C GLU A 64 10.697 27.100 10.460 1.00 24.98 C
|
|
ATOM 625 O GLU A 64 10.132 26.021 10.254 1.00 24.19 O
|
|
ATOM 626 CB GLU A 64 10.199 27.431 12.901 1.00 25.13 C
|
|
ATOM 627 CG GLU A 64 11.558 27.257 13.499 1.00 33.54 C
|
|
ATOM 628 CD GLU A 64 11.474 26.481 14.804 1.00 36.59 C
|
|
ATOM 629 OE1 GLU A 64 10.501 26.685 15.558 1.00 36.12 O
|
|
ATOM 630 OE2 GLU A 64 12.376 25.665 15.070 1.00 41.18 O
|
|
ATOM 631 H GLU A 64 8.200 27.468 10.997 1.00 0.00 H
|
|
ATOM 632 N LYS A 65 11.739 27.531 9.737 1.00 24.36 N
|
|
ATOM 633 CA LYS A 65 12.353 26.718 8.693 1.00 28.24 C
|
|
ATOM 634 C LYS A 65 13.510 25.954 9.251 1.00 28.33 C
|
|
ATOM 635 O LYS A 65 14.585 26.503 9.412 1.00 28.08 O
|
|
ATOM 636 CB LYS A 65 12.896 27.587 7.556 1.00 31.73 C
|
|
ATOM 637 CG LYS A 65 12.049 27.649 6.299 1.00 36.91 C
|
|
ATOM 638 CD LYS A 65 12.165 29.023 5.643 1.00 40.14 C
|
|
ATOM 639 CE LYS A 65 11.933 30.111 6.681 1.00 39.32 C
|
|
ATOM 640 NZ LYS A 65 11.630 31.435 6.088 1.00 36.54 N
|
|
ATOM 641 H LYS A 65 12.110 28.420 9.924 1.00 0.00 H
|
|
ATOM 642 HZ1 LYS A 65 12.425 31.734 5.487 1.00 0.00 H
|
|
ATOM 643 HZ2 LYS A 65 10.766 31.367 5.511 1.00 0.00 H
|
|
ATOM 644 HZ3 LYS A 65 11.487 32.131 6.847 1.00 0.00 H
|
|
ATOM 645 N VAL A 66 13.291 24.696 9.552 1.00 31.01 N
|
|
ATOM 646 CA VAL A 66 14.358 23.851 10.050 1.00 34.94 C
|
|
ATOM 647 C VAL A 66 14.962 23.049 8.896 1.00 39.67 C
|
|
ATOM 648 O VAL A 66 14.428 22.006 8.483 1.00 37.52 O
|
|
ATOM 649 CB VAL A 66 13.862 22.887 11.168 1.00 34.61 C
|
|
ATOM 650 CG1 VAL A 66 14.973 21.935 11.594 1.00 33.81 C
|
|
ATOM 651 CG2 VAL A 66 13.401 23.687 12.375 1.00 34.49 C
|
|
ATOM 652 H VAL A 66 12.388 24.323 9.443 1.00 0.00 H
|
|
ATOM 653 N GLN A 67 16.040 23.586 8.332 1.00 46.01 N
|
|
ATOM 654 CA GLN A 67 16.763 22.891 7.275 1.00 53.84 C
|
|
ATOM 655 C GLN A 67 18.179 22.570 7.732 1.00 58.95 C
|
|
ATOM 656 O GLN A 67 19.013 22.109 6.948 1.00 60.26 O
|
|
ATOM 657 CB GLN A 67 16.784 23.703 5.985 1.00 53.89 C
|
|
ATOM 658 CG GLN A 67 15.426 23.779 5.294 1.00 59.07 C
|
|
ATOM 659 CD GLN A 67 14.657 22.452 5.300 1.00 60.32 C
|
|
ATOM 660 OE1 GLN A 67 15.031 21.480 4.629 1.00 62.98 O
|
|
ATOM 661 NE2 GLN A 67 13.571 22.404 6.053 1.00 59.66 N
|
|
ATOM 662 H GLN A 67 16.348 24.470 8.627 1.00 0.00 H
|
|
ATOM 663 HE21 GLN A 67 13.049 21.578 6.062 1.00 0.00 H
|
|
ATOM 664 HE22 GLN A 67 13.328 23.200 6.571 1.00 0.00 H
|
|
ATOM 665 N GLY A 68 18.428 22.811 9.025 1.00 63.66 N
|
|
ATOM 666 CA GLY A 68 19.718 22.513 9.608 1.00 67.82 C
|
|
ATOM 667 C GLY A 68 19.631 21.327 10.546 1.00 70.65 C
|
|
ATOM 668 O GLY A 68 20.590 20.563 10.690 1.00 72.02 O
|
|
ATOM 669 H GLY A 68 17.727 23.193 9.587 1.00 0.00 H
|
|
ATOM 670 N GLY A 69 18.484 21.187 11.208 1.00 72.32 N
|
|
ATOM 671 CA GLY A 69 18.274 20.048 12.083 1.00 73.41 C
|
|
ATOM 672 C GLY A 69 18.041 18.789 11.270 1.00 73.97 C
|
|
ATOM 673 O GLY A 69 16.899 18.441 10.969 1.00 75.24 O
|
|
ATOM 674 H GLY A 69 17.778 21.853 11.102 1.00 0.00 H
|
|
ATOM 675 N PHE A 70 19.137 18.135 10.900 1.00 73.39 N
|
|
ATOM 676 CA PHE A 70 19.106 16.920 10.080 1.00 72.45 C
|
|
ATOM 677 C PHE A 70 18.165 15.833 10.606 1.00 69.47 C
|
|
ATOM 678 O PHE A 70 18.036 15.622 11.819 1.00 69.28 O
|
|
ATOM 679 CB PHE A 70 20.534 16.352 9.963 1.00 77.03 C
|
|
ATOM 680 CG PHE A 70 20.600 14.896 9.586 1.00 79.94 C
|
|
ATOM 681 CD1 PHE A 70 20.367 14.492 8.269 1.00 81.63 C
|
|
ATOM 682 CD2 PHE A 70 20.858 13.920 10.561 1.00 80.76 C
|
|
ATOM 683 CE1 PHE A 70 20.384 13.141 7.933 1.00 82.97 C
|
|
ATOM 684 CE2 PHE A 70 20.875 12.571 10.232 1.00 81.33 C
|
|
ATOM 685 CZ PHE A 70 20.638 12.181 8.917 1.00 82.90 C
|
|
ATOM 686 H PHE A 70 20.007 18.487 11.182 1.00 0.00 H
|
|
ATOM 687 N GLY A 71 17.534 15.127 9.666 1.00 65.37 N
|
|
ATOM 688 CA GLY A 71 16.681 14.014 10.024 1.00 60.61 C
|
|
ATOM 689 C GLY A 71 15.251 14.174 9.548 1.00 56.43 C
|
|
ATOM 690 O GLY A 71 14.949 15.071 8.766 1.00 56.11 O
|
|
ATOM 691 H GLY A 71 17.632 15.378 8.724 1.00 0.00 H
|
|
ATOM 692 N LYS A 72 14.367 13.295 10.036 1.00 51.93 N
|
|
ATOM 693 CA LYS A 72 12.939 13.359 9.704 1.00 47.12 C
|
|
ATOM 694 C LYS A 72 12.312 14.620 10.322 1.00 42.99 C
|
|
ATOM 695 O LYS A 72 11.172 14.976 10.019 1.00 41.22 O
|
|
ATOM 696 CB LYS A 72 12.214 12.127 10.263 1.00 47.52 C
|
|
ATOM 697 CG LYS A 72 12.828 10.789 9.890 1.00 47.51 C
|
|
ATOM 698 CD LYS A 72 13.208 9.975 11.122 1.00 45.89 C
|
|
ATOM 699 CE LYS A 72 12.024 9.749 12.053 1.00 45.99 C
|
|
ATOM 700 NZ LYS A 72 10.946 8.941 11.439 1.00 43.61 N
|
|
ATOM 701 H LYS A 72 14.682 12.587 10.635 1.00 0.00 H
|
|
ATOM 702 HZ1 LYS A 72 10.620 9.405 10.566 1.00 0.00 H
|
|
ATOM 703 HZ2 LYS A 72 11.311 7.995 11.214 1.00 0.00 H
|
|
ATOM 704 HZ3 LYS A 72 10.153 8.856 12.105 1.00 0.00 H
|
|
ATOM 705 N TYR A 73 13.084 15.252 11.211 1.00 38.82 N
|
|
ATOM 706 CA TYR A 73 12.666 16.439 11.926 1.00 35.13 C
|
|
ATOM 707 C TYR A 73 12.654 17.679 11.023 1.00 33.18 C
|
|
ATOM 708 O TYR A 73 11.879 18.607 11.253 1.00 30.17 O
|
|
ATOM 709 CB TYR A 73 13.600 16.649 13.125 1.00 32.68 C
|
|
ATOM 710 CG TYR A 73 13.198 17.796 14.018 1.00 32.41 C
|
|
ATOM 711 CD1 TYR A 73 12.116 17.691 14.884 1.00 31.25 C
|
|
ATOM 712 CD2 TYR A 73 13.835 19.025 13.921 1.00 32.40 C
|
|
ATOM 713 CE1 TYR A 73 11.679 18.785 15.613 1.00 30.72 C
|
|
ATOM 714 CE2 TYR A 73 13.400 20.120 14.644 1.00 32.39 C
|
|
ATOM 715 CZ TYR A 73 12.317 19.993 15.478 1.00 30.86 C
|
|
ATOM 716 OH TYR A 73 11.840 21.094 16.130 1.00 32.23 O
|
|
ATOM 717 H TYR A 73 13.974 14.893 11.393 1.00 0.00 H
|
|
ATOM 718 HH TYR A 73 12.352 21.867 15.869 1.00 0.00 H
|
|
ATOM 719 N GLN A 74 13.525 17.690 10.013 1.00 31.23 N
|
|
ATOM 720 CA GLN A 74 13.605 18.814 9.066 1.00 29.72 C
|
|
ATOM 721 C GLN A 74 12.254 19.162 8.468 1.00 26.23 C
|
|
ATOM 722 O GLN A 74 11.409 18.291 8.229 1.00 24.41 O
|
|
ATOM 723 CB GLN A 74 14.535 18.475 7.902 1.00 33.74 C
|
|
ATOM 724 CG GLN A 74 16.010 18.494 8.213 1.00 41.63 C
|
|
ATOM 725 CD GLN A 74 16.825 17.988 7.039 1.00 47.74 C
|
|
ATOM 726 OE1 GLN A 74 17.535 16.971 7.143 1.00 52.12 O
|
|
ATOM 727 NE2 GLN A 74 16.728 18.678 5.908 1.00 49.67 N
|
|
ATOM 728 H GLN A 74 14.129 16.927 9.898 1.00 0.00 H
|
|
ATOM 729 HE21 GLN A 74 17.240 18.365 5.133 1.00 0.00 H
|
|
ATOM 730 HE22 GLN A 74 16.152 19.471 5.887 1.00 0.00 H
|
|
ATOM 731 N GLY A 75 12.066 20.432 8.182 1.00 24.61 N
|
|
ATOM 732 CA GLY A 75 10.849 20.850 7.522 1.00 22.59 C
|
|
ATOM 733 C GLY A 75 10.439 22.235 7.929 1.00 22.00 C
|
|
ATOM 734 O GLY A 75 11.189 22.944 8.595 1.00 20.96 O
|
|
ATOM 735 H GLY A 75 12.741 21.096 8.433 1.00 0.00 H
|
|
ATOM 736 N THR A 76 9.267 22.641 7.507 1.00 22.18 N
|
|
ATOM 737 CA THR A 76 8.739 23.926 7.925 1.00 23.13 C
|
|
ATOM 738 C THR A 76 7.705 23.707 9.012 1.00 21.22 C
|
|
ATOM 739 O THR A 76 6.677 23.047 8.785 1.00 20.41 O
|
|
ATOM 740 CB THR A 76 8.129 24.677 6.750 1.00 22.98 C
|
|
ATOM 741 OG1 THR A 76 9.172 24.951 5.823 1.00 23.34 O
|
|
ATOM 742 CG2 THR A 76 7.529 25.993 7.203 1.00 22.12 C
|
|
ATOM 743 H THR A 76 8.743 22.073 6.908 1.00 0.00 H
|
|
ATOM 744 HG1 THR A 76 9.671 24.146 5.648 1.00 0.00 H
|
|
ATOM 745 N TRP A 77 8.007 24.190 10.198 1.00 18.01 N
|
|
ATOM 746 CA TRP A 77 7.115 24.000 11.334 1.00 19.61 C
|
|
ATOM 747 C TRP A 77 6.172 25.179 11.495 1.00 20.15 C
|
|
ATOM 748 O TRP A 77 6.569 26.324 11.307 1.00 21.17 O
|
|
ATOM 749 CB TRP A 77 7.954 23.797 12.587 1.00 18.45 C
|
|
ATOM 750 CG TRP A 77 8.738 22.517 12.563 1.00 16.73 C
|
|
ATOM 751 CD1 TRP A 77 9.924 22.262 11.889 1.00 19.52 C
|
|
ATOM 752 CD2 TRP A 77 8.383 21.314 13.246 1.00 16.18 C
|
|
ATOM 753 NE1 TRP A 77 10.287 20.964 12.134 1.00 18.03 N
|
|
ATOM 754 CE2 TRP A 77 9.378 20.351 12.952 1.00 18.24 C
|
|
ATOM 755 CE3 TRP A 77 7.303 20.950 14.076 1.00 15.09 C
|
|
ATOM 756 CZ2 TRP A 77 9.333 19.052 13.464 1.00 17.80 C
|
|
ATOM 757 CZ3 TRP A 77 7.263 19.657 14.586 1.00 16.17 C
|
|
ATOM 758 CH2 TRP A 77 8.271 18.728 14.275 1.00 16.88 C
|
|
ATOM 759 H TRP A 77 8.844 24.682 10.320 1.00 0.00 H
|
|
ATOM 760 HE1 TRP A 77 11.083 20.525 11.763 1.00 0.00 H
|
|
ATOM 761 N VAL A 78 4.940 24.916 11.848 1.00 19.79 N
|
|
ATOM 762 CA VAL A 78 3.960 25.992 11.977 1.00 21.20 C
|
|
ATOM 763 C VAL A 78 3.102 25.800 13.232 1.00 22.23 C
|
|
ATOM 764 O VAL A 78 3.039 24.692 13.785 1.00 20.52 O
|
|
ATOM 765 CB VAL A 78 3.014 26.045 10.738 1.00 20.50 C
|
|
ATOM 766 CG1 VAL A 78 3.805 26.352 9.464 1.00 19.09 C
|
|
ATOM 767 CG2 VAL A 78 2.264 24.722 10.594 1.00 19.19 C
|
|
ATOM 768 H VAL A 78 4.670 23.993 12.035 1.00 0.00 H
|
|
ATOM 769 N PRO A 79 2.461 26.879 13.729 1.00 22.62 N
|
|
ATOM 770 CA PRO A 79 1.579 26.796 14.902 1.00 23.25 C
|
|
ATOM 771 C PRO A 79 0.479 25.793 14.613 1.00 23.88 C
|
|
ATOM 772 O PRO A 79 0.126 25.577 13.452 1.00 22.74 O
|
|
ATOM 773 CB PRO A 79 1.009 28.217 15.030 1.00 22.80 C
|
|
ATOM 774 CG PRO A 79 2.089 29.063 14.441 1.00 23.48 C
|
|
ATOM 775 CD PRO A 79 2.583 28.279 13.243 1.00 21.77 C
|
|
ATOM 776 N LEU A 80 -0.081 25.221 15.664 1.00 25.83 N
|
|
ATOM 777 CA LEU A 80 -1.142 24.222 15.543 1.00 26.16 C
|
|
ATOM 778 C LEU A 80 -2.338 24.712 14.733 1.00 28.51 C
|
|
ATOM 779 O LEU A 80 -2.846 23.991 13.849 1.00 27.56 O
|
|
ATOM 780 CB LEU A 80 -1.606 23.815 16.940 1.00 25.96 C
|
|
ATOM 781 CG LEU A 80 -2.660 22.728 17.020 1.00 26.73 C
|
|
ATOM 782 CD1 LEU A 80 -2.142 21.452 16.363 1.00 25.64 C
|
|
ATOM 783 CD2 LEU A 80 -3.028 22.488 18.480 1.00 29.49 C
|
|
ATOM 784 H LEU A 80 0.229 25.469 16.557 1.00 0.00 H
|
|
ATOM 785 N ASN A 81 -2.811 25.922 15.016 1.00 30.41 N
|
|
ATOM 786 CA ASN A 81 -3.989 26.411 14.305 1.00 33.34 C
|
|
ATOM 787 C ASN A 81 -3.726 26.541 12.797 1.00 33.24 C
|
|
ATOM 788 O ASN A 81 -4.593 26.200 11.979 1.00 32.55 O
|
|
ATOM 789 CB ASN A 81 -4.522 27.720 14.912 1.00 36.72 C
|
|
ATOM 790 CG ASN A 81 -3.615 28.898 14.707 1.00 41.39 C
|
|
ATOM 791 OD1 ASN A 81 -2.520 28.954 15.254 1.00 45.06 O
|
|
ATOM 792 ND2 ASN A 81 -4.064 29.855 13.912 1.00 44.46 N
|
|
ATOM 793 H ASN A 81 -2.379 26.474 15.701 1.00 0.00 H
|
|
ATOM 794 HD21 ASN A 81 -3.494 30.640 13.765 1.00 0.00 H
|
|
ATOM 795 HD22 ASN A 81 -4.947 29.746 13.504 1.00 0.00 H
|
|
ATOM 796 N ILE A 82 -2.509 26.970 12.436 1.00 33.12 N
|
|
ATOM 797 CA ILE A 82 -2.133 27.108 11.022 1.00 33.42 C
|
|
ATOM 798 C ILE A 82 -1.996 25.751 10.338 1.00 33.66 C
|
|
ATOM 799 O ILE A 82 -2.344 25.611 9.172 1.00 33.06 O
|
|
ATOM 800 CB ILE A 82 -0.820 27.882 10.878 1.00 34.68 C
|
|
ATOM 801 CG1 ILE A 82 -1.027 29.318 11.381 1.00 35.90 C
|
|
ATOM 802 CG2 ILE A 82 -0.364 27.862 9.424 1.00 32.30 C
|
|
ATOM 803 CD1 ILE A 82 0.246 30.062 11.708 1.00 36.35 C
|
|
ATOM 804 H ILE A 82 -1.856 27.193 13.129 1.00 0.00 H
|
|
ATOM 805 N ALA A 83 -1.487 24.751 11.078 1.00 33.47 N
|
|
ATOM 806 CA ALA A 83 -1.385 23.383 10.547 1.00 32.68 C
|
|
ATOM 807 C ALA A 83 -2.796 22.798 10.314 1.00 32.07 C
|
|
ATOM 808 O ALA A 83 -3.034 22.097 9.335 1.00 30.79 O
|
|
ATOM 809 CB ALA A 83 -0.586 22.496 11.509 1.00 31.27 C
|
|
ATOM 810 H ALA A 83 -1.184 24.937 11.992 1.00 0.00 H
|
|
ATOM 811 N LYS A 84 -3.729 23.093 11.215 1.00 33.43 N
|
|
ATOM 812 CA LYS A 84 -5.093 22.639 11.041 1.00 35.11 C
|
|
ATOM 813 C LYS A 84 -5.693 23.212 9.756 1.00 36.73 C
|
|
ATOM 814 O LYS A 84 -6.318 22.491 8.974 1.00 36.83 O
|
|
ATOM 815 CB LYS A 84 -5.948 23.050 12.228 1.00 37.36 C
|
|
ATOM 816 CG LYS A 84 -5.607 22.354 13.530 1.00 40.04 C
|
|
ATOM 817 CD LYS A 84 -6.871 22.073 14.319 1.00 42.74 C
|
|
ATOM 818 CE LYS A 84 -6.559 21.578 15.716 1.00 45.28 C
|
|
ATOM 819 NZ LYS A 84 -6.384 22.711 16.664 1.00 49.86 N
|
|
ATOM 820 H LYS A 84 -3.489 23.619 12.006 1.00 0.00 H
|
|
ATOM 821 HZ1 LYS A 84 -5.641 23.348 16.311 1.00 0.00 H
|
|
ATOM 822 HZ2 LYS A 84 -7.280 23.233 16.744 1.00 0.00 H
|
|
ATOM 823 HZ3 LYS A 84 -6.113 22.344 17.598 1.00 0.00 H
|
|
ATOM 824 N GLN A 85 -5.504 24.510 9.535 1.00 37.40 N
|
|
ATOM 825 CA GLN A 85 -5.981 25.141 8.298 1.00 38.47 C
|
|
ATOM 826 C GLN A 85 -5.414 24.411 7.065 1.00 37.19 C
|
|
ATOM 827 O GLN A 85 -6.144 24.015 6.168 1.00 36.76 O
|
|
ATOM 828 CB GLN A 85 -5.550 26.617 8.243 1.00 41.65 C
|
|
ATOM 829 CG GLN A 85 -6.176 27.513 9.302 1.00 47.67 C
|
|
ATOM 830 CD GLN A 85 -5.653 28.953 9.274 1.00 52.44 C
|
|
ATOM 831 OE1 GLN A 85 -4.985 29.379 8.321 1.00 53.70 O
|
|
ATOM 832 NE2 GLN A 85 -5.956 29.710 10.327 1.00 54.30 N
|
|
ATOM 833 H GLN A 85 -5.029 25.050 10.201 1.00 0.00 H
|
|
ATOM 834 HE21 GLN A 85 -5.645 30.638 10.336 1.00 0.00 H
|
|
ATOM 835 HE22 GLN A 85 -6.483 29.308 11.051 1.00 0.00 H
|
|
ATOM 836 N LEU A 86 -4.107 24.239 7.050 1.00 35.90 N
|
|
ATOM 837 CA LEU A 86 -3.427 23.593 5.952 1.00 35.57 C
|
|
ATOM 838 C LEU A 86 -3.973 22.187 5.705 1.00 36.04 C
|
|
ATOM 839 O LEU A 86 -4.216 21.789 4.568 1.00 35.67 O
|
|
ATOM 840 CB LEU A 86 -1.940 23.522 6.282 1.00 35.24 C
|
|
ATOM 841 CG LEU A 86 -0.979 23.392 5.104 1.00 37.99 C
|
|
ATOM 842 CD1 LEU A 86 -1.046 24.641 4.236 1.00 37.21 C
|
|
ATOM 843 CD2 LEU A 86 0.434 23.187 5.623 1.00 37.56 C
|
|
ATOM 844 H LEU A 86 -3.579 24.563 7.810 1.00 0.00 H
|
|
ATOM 845 N ALA A 87 -4.167 21.440 6.774 1.00 37.61 N
|
|
ATOM 846 CA ALA A 87 -4.658 20.075 6.672 1.00 40.07 C
|
|
ATOM 847 C ALA A 87 -6.071 20.045 6.108 1.00 42.25 C
|
|
ATOM 848 O ALA A 87 -6.423 19.123 5.387 1.00 44.08 O
|
|
ATOM 849 CB ALA A 87 -4.614 19.402 8.041 1.00 37.62 C
|
|
ATOM 850 H ALA A 87 -3.984 21.816 7.658 1.00 0.00 H
|
|
ATOM 851 N GLU A 88 -6.881 21.042 6.453 1.00 44.94 N
|
|
ATOM 852 CA GLU A 88 -8.250 21.137 5.934 1.00 47.72 C
|
|
ATOM 853 C GLU A 88 -8.249 21.462 4.446 1.00 46.92 C
|
|
ATOM 854 O GLU A 88 -8.935 20.809 3.652 1.00 46.82 O
|
|
ATOM 855 CB GLU A 88 -9.029 22.238 6.647 1.00 51.27 C
|
|
ATOM 856 CG GLU A 88 -9.499 21.887 8.035 1.00 58.64 C
|
|
ATOM 857 CD GLU A 88 -10.532 22.873 8.532 1.00 63.08 C
|
|
ATOM 858 OE1 GLU A 88 -11.497 23.154 7.774 1.00 65.53 O
|
|
ATOM 859 OE2 GLU A 88 -10.381 23.370 9.674 1.00 64.92 O
|
|
ATOM 860 H GLU A 88 -6.554 21.730 7.069 1.00 0.00 H
|
|
ATOM 861 N LYS A 89 -7.484 22.490 4.087 1.00 45.19 N
|
|
ATOM 862 CA LYS A 89 -7.401 22.930 2.722 1.00 45.73 C
|
|
ATOM 863 C LYS A 89 -7.064 21.776 1.802 1.00 45.59 C
|
|
ATOM 864 O LYS A 89 -7.728 21.571 0.792 1.00 46.84 O
|
|
ATOM 865 CB LYS A 89 -6.346 24.019 2.592 1.00 46.57 C
|
|
ATOM 866 CG LYS A 89 -6.374 24.759 1.269 1.00 49.11 C
|
|
ATOM 867 CD LYS A 89 -5.470 25.976 1.314 1.00 52.19 C
|
|
ATOM 868 CE LYS A 89 -5.826 26.963 0.216 1.00 55.10 C
|
|
ATOM 869 NZ LYS A 89 -5.139 28.274 0.395 1.00 56.62 N
|
|
ATOM 870 H LYS A 89 -6.963 22.959 4.773 1.00 0.00 H
|
|
ATOM 871 HZ1 LYS A 89 -4.109 28.127 0.406 1.00 0.00 H
|
|
ATOM 872 HZ2 LYS A 89 -5.390 28.905 -0.391 1.00 0.00 H
|
|
ATOM 873 HZ3 LYS A 89 -5.437 28.704 1.294 1.00 0.00 H
|
|
ATOM 874 N PHE A 90 -6.055 21.001 2.163 1.00 44.53 N
|
|
ATOM 875 CA PHE A 90 -5.631 19.900 1.314 1.00 44.24 C
|
|
ATOM 876 C PHE A 90 -6.275 18.576 1.716 1.00 44.45 C
|
|
ATOM 877 O PHE A 90 -5.737 17.496 1.463 1.00 44.80 O
|
|
ATOM 878 CB PHE A 90 -4.099 19.837 1.283 1.00 43.69 C
|
|
ATOM 879 CG PHE A 90 -3.510 21.100 0.707 1.00 43.58 C
|
|
ATOM 880 CD1 PHE A 90 -3.664 21.403 -0.642 1.00 44.38 C
|
|
ATOM 881 CD2 PHE A 90 -2.881 22.034 1.523 1.00 44.26 C
|
|
ATOM 882 CE1 PHE A 90 -3.212 22.610 -1.165 1.00 43.38 C
|
|
ATOM 883 CE2 PHE A 90 -2.425 23.246 1.011 1.00 43.71 C
|
|
ATOM 884 CZ PHE A 90 -2.592 23.535 -0.337 1.00 43.90 C
|
|
ATOM 885 H PHE A 90 -5.588 21.170 3.009 1.00 0.00 H
|
|
ATOM 886 N SER A 91 -7.444 18.690 2.345 1.00 45.17 N
|
|
ATOM 887 CA SER A 91 -8.282 17.543 2.686 1.00 45.85 C
|
|
ATOM 888 C SER A 91 -7.553 16.348 3.290 1.00 45.16 C
|
|
ATOM 889 O SER A 91 -7.662 15.229 2.790 1.00 45.12 O
|
|
ATOM 890 CB SER A 91 -9.061 17.113 1.441 1.00 48.12 C
|
|
ATOM 891 OG SER A 91 -9.727 18.233 0.864 1.00 51.11 O
|
|
ATOM 892 H SER A 91 -7.764 19.584 2.580 1.00 0.00 H
|
|
ATOM 893 HG SER A 91 -10.205 17.955 0.079 1.00 0.00 H
|
|
ATOM 894 N VAL A 92 -6.811 16.583 4.361 1.00 44.55 N
|
|
ATOM 895 CA VAL A 92 -6.196 15.487 5.129 1.00 44.43 C
|
|
ATOM 896 C VAL A 92 -6.451 15.690 6.627 1.00 43.59 C
|
|
ATOM 897 O VAL A 92 -5.911 14.975 7.471 1.00 42.35 O
|
|
ATOM 898 CB VAL A 92 -4.657 15.344 4.880 1.00 44.50 C
|
|
ATOM 899 CG1 VAL A 92 -4.413 14.652 3.553 1.00 44.93 C
|
|
ATOM 900 CG2 VAL A 92 -3.972 16.697 4.904 1.00 43.55 C
|
|
ATOM 901 H VAL A 92 -6.657 17.507 4.637 1.00 0.00 H
|
|
ATOM 902 N TYR A 93 -7.311 16.652 6.938 1.00 44.06 N
|
|
ATOM 903 CA TYR A 93 -7.606 16.994 8.321 1.00 46.56 C
|
|
ATOM 904 C TYR A 93 -8.156 15.815 9.115 1.00 47.20 C
|
|
ATOM 905 O TYR A 93 -7.747 15.568 10.249 1.00 45.84 O
|
|
ATOM 906 CB TYR A 93 -8.590 18.172 8.392 1.00 48.04 C
|
|
ATOM 907 CG TYR A 93 -8.880 18.600 9.814 1.00 51.15 C
|
|
ATOM 908 CD1 TYR A 93 -8.058 19.512 10.466 1.00 52.01 C
|
|
ATOM 909 CD2 TYR A 93 -9.901 17.996 10.550 1.00 51.74 C
|
|
ATOM 910 CE1 TYR A 93 -8.234 19.796 11.806 1.00 53.05 C
|
|
ATOM 911 CE2 TYR A 93 -10.083 18.274 11.891 1.00 52.13 C
|
|
ATOM 912 CZ TYR A 93 -9.243 19.172 12.513 1.00 53.58 C
|
|
ATOM 913 OH TYR A 93 -9.405 19.442 13.848 1.00 56.47 O
|
|
ATOM 914 H TYR A 93 -7.753 17.146 6.220 1.00 0.00 H
|
|
ATOM 915 HH TYR A 93 -10.182 18.981 14.176 1.00 0.00 H
|
|
ATOM 916 N ASP A 94 -9.076 15.086 8.529 1.00 48.64 N
|
|
ATOM 917 CA ASP A 94 -9.678 13.962 9.232 1.00 50.01 C
|
|
ATOM 918 C ASP A 94 -8.697 12.805 9.419 1.00 49.07 C
|
|
ATOM 919 O ASP A 94 -8.827 12.031 10.370 1.00 48.92 O
|
|
ATOM 920 CB ASP A 94 -10.964 13.515 8.517 1.00 53.54 C
|
|
ATOM 921 CG ASP A 94 -12.120 14.474 8.796 1.00 54.92 C
|
|
ATOM 922 OD1 ASP A 94 -12.762 14.329 9.852 1.00 57.73 O
|
|
ATOM 923 OD2 ASP A 94 -12.379 15.377 7.969 1.00 56.24 O
|
|
ATOM 924 H ASP A 94 -9.357 15.301 7.615 1.00 0.00 H
|
|
ATOM 925 N GLN A 95 -7.712 12.698 8.520 1.00 49.21 N
|
|
ATOM 926 CA GLN A 95 -6.664 11.678 8.659 1.00 49.95 C
|
|
ATOM 927 C GLN A 95 -5.677 12.029 9.780 1.00 48.73 C
|
|
ATOM 928 O GLN A 95 -5.206 11.146 10.495 1.00 48.14 O
|
|
ATOM 929 CB GLN A 95 -5.871 11.526 7.358 1.00 51.32 C
|
|
ATOM 930 CG GLN A 95 -6.617 10.859 6.227 1.00 54.77 C
|
|
ATOM 931 CD GLN A 95 -5.805 10.848 4.952 1.00 57.17 C
|
|
ATOM 932 OE1 GLN A 95 -4.715 10.277 4.905 1.00 57.65 O
|
|
ATOM 933 NE2 GLN A 95 -6.325 11.483 3.912 1.00 58.76 N
|
|
ATOM 934 H GLN A 95 -7.694 13.305 7.752 1.00 0.00 H
|
|
ATOM 935 HE21 GLN A 95 -5.808 11.509 3.079 1.00 0.00 H
|
|
ATOM 936 HE22 GLN A 95 -7.202 11.904 4.016 1.00 0.00 H
|
|
ATOM 937 N LEU A 96 -5.360 13.327 9.908 1.00 48.04 N
|
|
ATOM 938 CA LEU A 96 -4.374 13.800 10.893 1.00 46.14 C
|
|
ATOM 939 C LEU A 96 -5.003 14.231 12.202 1.00 45.87 C
|
|
ATOM 940 O LEU A 96 -4.285 14.496 13.166 1.00 44.88 O
|
|
ATOM 941 CB LEU A 96 -3.579 14.981 10.323 1.00 43.86 C
|
|
ATOM 942 CG LEU A 96 -3.107 14.825 8.881 1.00 43.10 C
|
|
ATOM 943 CD1 LEU A 96 -2.080 15.892 8.542 1.00 40.00 C
|
|
ATOM 944 CD2 LEU A 96 -2.533 13.432 8.681 1.00 42.10 C
|
|
ATOM 945 H LEU A 96 -5.794 13.981 9.318 1.00 0.00 H
|
|
ATOM 946 N LYS A 97 -6.332 14.297 12.237 1.00 47.18 N
|
|
ATOM 947 CA LYS A 97 -7.053 14.723 13.436 1.00 47.61 C
|
|
ATOM 948 C LYS A 97 -6.528 14.080 14.736 1.00 45.43 C
|
|
ATOM 949 O LYS A 97 -6.293 14.784 15.717 1.00 44.43 O
|
|
ATOM 950 CB LYS A 97 -8.568 14.489 13.291 1.00 50.67 C
|
|
ATOM 951 CG LYS A 97 -9.336 15.078 14.463 1.00 56.31 C
|
|
ATOM 952 CD LYS A 97 -10.823 15.199 14.216 1.00 59.48 C
|
|
ATOM 953 CE LYS A 97 -11.463 16.020 15.331 1.00 61.13 C
|
|
ATOM 954 NZ LYS A 97 -12.926 16.202 15.134 1.00 63.44 N
|
|
ATOM 955 H LYS A 97 -6.842 14.065 11.432 1.00 0.00 H
|
|
ATOM 956 HZ1 LYS A 97 -13.098 16.675 14.224 1.00 0.00 H
|
|
ATOM 957 HZ2 LYS A 97 -13.392 15.273 15.137 1.00 0.00 H
|
|
ATOM 958 HZ3 LYS A 97 -13.309 16.784 15.906 1.00 0.00 H
|
|
ATOM 959 N PRO A 98 -6.334 12.753 14.803 1.00 44.31 N
|
|
ATOM 960 CA PRO A 98 -5.818 12.119 16.014 1.00 45.37 C
|
|
ATOM 961 C PRO A 98 -4.589 12.847 16.590 1.00 46.45 C
|
|
ATOM 962 O PRO A 98 -4.526 13.091 17.795 1.00 47.44 O
|
|
ATOM 963 CB PRO A 98 -5.497 10.687 15.575 1.00 43.63 C
|
|
ATOM 964 CG PRO A 98 -5.537 10.749 14.086 1.00 44.43 C
|
|
ATOM 965 CD PRO A 98 -6.611 11.744 13.777 1.00 43.98 C
|
|
ATOM 966 N LEU A 99 -3.638 13.217 15.725 1.00 46.20 N
|
|
ATOM 967 CA LEU A 99 -2.427 13.892 16.177 1.00 45.20 C
|
|
ATOM 968 C LEU A 99 -2.731 15.288 16.672 1.00 46.29 C
|
|
ATOM 969 O LEU A 99 -2.212 15.707 17.705 1.00 45.15 O
|
|
ATOM 970 CB LEU A 99 -1.386 13.979 15.053 1.00 42.84 C
|
|
ATOM 971 CG LEU A 99 -0.093 14.741 15.389 1.00 41.15 C
|
|
ATOM 972 CD1 LEU A 99 0.804 13.895 16.275 1.00 38.20 C
|
|
ATOM 973 CD2 LEU A 99 0.626 15.131 14.117 1.00 39.05 C
|
|
ATOM 974 H LEU A 99 -3.759 13.036 14.770 1.00 0.00 H
|
|
ATOM 975 N PHE A 100 -3.564 16.007 15.933 1.00 48.58 N
|
|
ATOM 976 CA PHE A 100 -3.896 17.372 16.305 1.00 52.20 C
|
|
ATOM 977 C PHE A 100 -4.517 17.429 17.688 1.00 56.06 C
|
|
ATOM 978 O PHE A 100 -4.089 18.213 18.537 1.00 56.52 O
|
|
ATOM 979 CB PHE A 100 -4.865 18.008 15.296 1.00 50.34 C
|
|
ATOM 980 CG PHE A 100 -4.309 18.236 13.913 1.00 48.52 C
|
|
ATOM 981 CD1 PHE A 100 -2.950 18.478 13.717 1.00 46.65 C
|
|
ATOM 982 CD2 PHE A 100 -5.158 18.231 12.803 1.00 47.63 C
|
|
ATOM 983 CE1 PHE A 100 -2.447 18.713 12.445 1.00 46.95 C
|
|
ATOM 984 CE2 PHE A 100 -4.662 18.466 11.530 1.00 46.65 C
|
|
ATOM 985 CZ PHE A 100 -3.304 18.707 11.350 1.00 46.70 C
|
|
ATOM 986 H PHE A 100 -3.954 15.615 15.124 1.00 0.00 H
|
|
ATOM 987 N ASP A 101 -5.517 16.594 17.924 1.00 60.72 N
|
|
ATOM 988 CA ASP A 101 -6.204 16.632 19.205 1.00 66.29 C
|
|
ATOM 989 C ASP A 101 -5.449 15.864 20.289 1.00 68.12 C
|
|
ATOM 990 O ASP A 101 -5.728 16.047 21.477 1.00 69.45 O
|
|
ATOM 991 CB ASP A 101 -7.653 16.132 19.071 1.00 68.88 C
|
|
ATOM 992 CG ASP A 101 -7.782 14.625 19.028 1.00 72.53 C
|
|
ATOM 993 OD1 ASP A 101 -7.085 13.994 18.212 1.00 74.44 O
|
|
ATOM 994 OD2 ASP A 101 -8.584 14.071 19.818 1.00 73.84 O
|
|
ATOM 995 H ASP A 101 -5.795 15.955 17.233 1.00 0.00 H
|
|
ATOM 996 N PHE A 102 -4.497 15.014 19.881 1.00 69.09 N
|
|
ATOM 997 CA PHE A 102 -3.676 14.272 20.835 1.00 69.65 C
|
|
ATOM 998 C PHE A 102 -3.031 15.235 21.825 1.00 70.64 C
|
|
ATOM 999 O PHE A 102 -2.775 14.878 22.974 1.00 72.94 O
|
|
ATOM 1000 CB PHE A 102 -2.583 13.502 20.091 1.00 70.00 C
|
|
ATOM 1001 CG PHE A 102 -1.745 12.597 20.951 1.00 71.29 C
|
|
ATOM 1002 CD1 PHE A 102 -0.639 13.089 21.637 1.00 71.76 C
|
|
ATOM 1003 CD2 PHE A 102 -2.053 11.238 21.062 1.00 72.61 C
|
|
ATOM 1004 CE1 PHE A 102 0.139 12.248 22.414 1.00 72.74 C
|
|
ATOM 1005 CE2 PHE A 102 -1.274 10.387 21.838 1.00 72.58 C
|
|
ATOM 1006 CZ PHE A 102 -0.177 10.895 22.516 1.00 73.27 C
|
|
ATOM 1007 H PHE A 102 -4.346 14.884 18.921 1.00 0.00 H
|
|
TER 1008 PHE A 102
|
|
HETATM 1009 O HOH A 401 11.442 26.376 18.419 1.00 38.23 O
|
|
HETATM 1010 H1 HOH A 401 12.360 26.094 18.365 1.00 0.00 H
|
|
HETATM 1011 H2 HOH A 401 11.489 27.267 18.767 1.00 0.00 H
|
|
HETATM 1012 O HOH A 402 8.649 28.512 17.527 1.00 47.94 O
|
|
HETATM 1013 H1 HOH A 402 9.202 27.788 17.213 1.00 0.00 H
|
|
HETATM 1014 H2 HOH A 402 7.878 28.486 16.957 1.00 0.00 H
|
|
HETATM 1015 O HOH A 403 7.263 28.403 19.944 1.00 38.55 O
|
|
HETATM 1016 H1 HOH A 403 7.266 27.444 19.925 1.00 0.00 H
|
|
HETATM 1017 H2 HOH A 403 7.891 28.655 19.252 1.00 0.00 H
|
|
HETATM 1018 O HOH A 404 13.823 23.249 15.906 1.00 61.76 O
|
|
HETATM 1019 H1 HOH A 404 14.758 23.159 15.681 1.00 0.00 H
|
|
HETATM 1020 H2 HOH A 404 13.741 24.157 16.204 1.00 0.00 H
|
|
HETATM 1021 O HOH A 405 8.756 28.493 22.514 1.00 66.03 O
|
|
HETATM 1022 H1 HOH A 405 8.339 28.510 21.650 1.00 0.00 H
|
|
HETATM 1023 H2 HOH A 405 8.556 29.355 22.893 1.00 0.00 H
|
|
HETATM 1024 O HOH A 406 9.224 19.780 22.203 1.00 22.24 O
|
|
HETATM 1025 H1 HOH A 406 9.276 19.201 21.436 1.00 0.00 H
|
|
HETATM 1026 H2 HOH A 406 9.990 19.533 22.736 1.00 0.00 H
|
|
HETATM 1027 O HOH A 407 11.643 19.276 23.871 1.00 44.82 O
|
|
HETATM 1028 H1 HOH A 407 12.275 19.960 23.620 1.00 0.00 H
|
|
HETATM 1029 H2 HOH A 407 11.978 18.952 24.712 1.00 0.00 H
|
|
HETATM 1030 O HOH A 408 7.638 19.412 26.856 1.00 66.34 O
|
|
HETATM 1031 H1 HOH A 408 7.334 19.672 27.732 1.00 0.00 H
|
|
HETATM 1032 H2 HOH A 408 8.293 18.736 27.024 1.00 0.00 H
|
|
HETATM 1033 O HOH A 409 9.788 12.718 23.881 1.00 35.90 O
|
|
HETATM 1034 H1 HOH A 409 10.485 13.349 24.074 1.00 0.00 H
|
|
HETATM 1035 H2 HOH A 409 9.534 12.912 22.975 1.00 0.00 H
|
|
HETATM 1036 O HOH A 410 -7.039 27.560 12.371 1.00 76.53 O
|
|
HETATM 1037 H1 HOH A 410 -7.871 27.092 12.461 1.00 0.00 H
|
|
HETATM 1038 H2 HOH A 410 -6.381 26.862 12.283 1.00 0.00 H
|
|
HETATM 1039 O HOH A 411 10.636 15.015 28.679 1.00 79.82 O
|
|
HETATM 1040 H1 HOH A 411 10.754 14.224 29.205 1.00 0.00 H
|
|
HETATM 1041 H2 HOH A 411 9.685 15.085 28.566 1.00 0.00 H
|
|
HETATM 1042 O HOH A 412 -5.406 19.815 21.604 1.00 67.01 O
|
|
HETATM 1043 H1 HOH A 412 -5.059 20.294 22.359 1.00 0.00 H
|
|
HETATM 1044 H2 HOH A 412 -5.402 18.897 21.884 1.00 0.00 H
|
|
HETATM 1045 O HOH A 413 0.948 26.025 18.289 1.00 28.37 O
|
|
HETATM 1046 H1 HOH A 413 1.360 25.442 18.933 1.00 0.00 H
|
|
HETATM 1047 H2 HOH A 413 1.280 26.901 18.518 1.00 0.00 H
|
|
HETATM 1048 O HOH A 414 2.348 27.103 21.691 1.00 40.51 O
|
|
HETATM 1049 H1 HOH A 414 2.244 26.285 21.195 1.00 0.00 H
|
|
HETATM 1050 H2 HOH A 414 2.771 27.701 21.073 1.00 0.00 H
|
|
HETATM 1051 O HOH A 415 1.783 28.751 19.142 1.00 45.14 O
|
|
HETATM 1052 H1 HOH A 415 2.466 29.079 19.741 1.00 0.00 H
|
|
HETATM 1053 H2 HOH A 415 1.057 29.370 19.247 1.00 0.00 H
|
|
HETATM 1054 O HOH A 416 -1.813 27.629 17.603 1.00 63.33 O
|
|
HETATM 1055 H1 HOH A 416 -0.906 27.508 17.899 1.00 0.00 H
|
|
HETATM 1056 H2 HOH A 416 -1.823 28.521 17.231 1.00 0.00 H
|
|
HETATM 1057 O HOH A 417 0.364 33.475 10.829 1.00 43.72 O
|
|
HETATM 1058 H1 HOH A 417 -0.450 33.139 10.448 1.00 0.00 H
|
|
HETATM 1059 H2 HOH A 417 0.123 33.712 11.729 1.00 0.00 H
|
|
HETATM 1060 O HOH A 418 3.290 35.799 10.789 1.00 45.96 O
|
|
HETATM 1061 H1 HOH A 418 2.521 35.871 11.354 1.00 0.00 H
|
|
HETATM 1062 H2 HOH A 418 2.954 36.032 9.910 1.00 0.00 H
|
|
HETATM 1063 O HOH A 419 8.914 16.633 -7.731 1.00 47.58 O
|
|
HETATM 1064 H1 HOH A 419 8.580 16.211 -8.527 1.00 0.00 H
|
|
HETATM 1065 H2 HOH A 419 9.739 17.055 -8.014 1.00 0.00 H
|
|
HETATM 1066 O HOH A 420 16.804 28.181 7.657 1.00 52.61 O
|
|
HETATM 1067 H1 HOH A 420 17.349 28.921 7.925 1.00 0.00 H
|
|
HETATM 1068 H2 HOH A 420 17.428 27.548 7.300 1.00 0.00 H
|
|
HETATM 1069 O HOH A 421 4.841 5.174 7.671 1.00 54.02 O
|
|
HETATM 1070 H1 HOH A 421 4.992 4.811 6.796 1.00 0.00 H
|
|
HETATM 1071 H2 HOH A 421 3.969 5.585 7.610 1.00 0.00 H
|
|
HETATM 1072 O HOH A 422 6.123 12.466 6.644 1.00 38.59 O
|
|
HETATM 1073 H1 HOH A 422 6.354 11.569 6.880 1.00 0.00 H
|
|
HETATM 1074 H2 HOH A 422 5.242 12.393 6.258 1.00 0.00 H
|
|
HETATM 1075 O HOH A 423 3.623 12.224 6.231 1.00 46.24 O
|
|
HETATM 1076 H1 HOH A 423 3.260 11.491 6.732 1.00 0.00 H
|
|
HETATM 1077 H2 HOH A 423 3.150 12.995 6.560 1.00 0.00 H
|
|
HETATM 1078 O HOH A 424 8.696 11.998 9.005 1.00 59.93 O
|
|
HETATM 1079 H1 HOH A 424 7.734 12.042 9.009 1.00 0.00 H
|
|
HETATM 1080 H2 HOH A 424 8.947 12.160 9.914 1.00 0.00 H
|
|
HETATM 1081 O HOH A 425 8.405 9.129 7.648 1.00 61.20 O
|
|
HETATM 1082 H1 HOH A 425 9.210 8.614 7.550 1.00 0.00 H
|
|
HETATM 1083 H2 HOH A 425 8.701 9.956 8.049 1.00 0.00 H
|
|
HETATM 1084 O HOH A 426 18.447 13.535 15.604 1.00 34.60 O
|
|
HETATM 1085 H1 HOH A 426 18.325 12.712 16.083 1.00 0.00 H
|
|
HETATM 1086 H2 HOH A 426 17.838 13.470 14.861 1.00 0.00 H
|
|
HETATM 1087 O HOH A 427 12.794 20.256 3.954 1.00 62.89 O
|
|
HETATM 1088 H1 HOH A 427 13.638 20.705 4.102 1.00 0.00 H
|
|
HETATM 1089 H2 HOH A 427 13.034 19.453 3.487 1.00 0.00 H
|
|
HETATM 1090 O HOH A 428 8.847 19.809 0.651 1.00 65.07 O
|
|
HETATM 1091 H1 HOH A 428 8.427 19.180 1.242 1.00 0.00 H
|
|
HETATM 1092 H2 HOH A 428 8.764 20.651 1.101 1.00 0.00 H
|
|
HETATM 1093 O HOH A 429 -2.878 19.586 20.641 1.00 55.95 O
|
|
HETATM 1094 H1 HOH A 429 -3.712 19.246 20.304 1.00 0.00 H
|
|
HETATM 1095 H2 HOH A 429 -2.949 20.533 20.530 1.00 0.00 H
|
|
HETATM 1096 O HOH A 430 -3.389 10.814 2.153 1.00 68.44 O
|
|
HETATM 1097 H1 HOH A 430 -3.370 10.574 1.223 1.00 0.00 H
|
|
HETATM 1098 H2 HOH A 430 -2.731 11.518 2.225 1.00 0.00 H
|
|
HETATM 1099 O HOH A 431 7.974 6.841 9.094 1.00 81.57 O
|
|
HETATM 1100 H1 HOH A 431 7.873 7.036 8.159 1.00 0.00 H
|
|
HETATM 1101 H2 HOH A 431 7.642 5.943 9.185 1.00 0.00 H
|
|
HETATM 1102 O HOH A 432 8.985 13.925 -7.061 1.00 46.17 O
|
|
HETATM 1103 H1 HOH A 432 9.892 13.636 -6.937 1.00 0.00 H
|
|
HETATM 1104 H2 HOH A 432 9.045 14.887 -7.113 1.00 0.00 H
|
|
HETATM 1105 O HOH A 433 11.459 17.807 -8.216 1.00 61.98 O
|
|
HETATM 1106 H1 HOH A 433 12.207 17.850 -7.615 1.00 0.00 H
|
|
HETATM 1107 H2 HOH A 433 11.478 18.651 -8.675 1.00 0.00 H
|
|
HETATM 1108 O HOH A 434 -10.484 15.879 5.891 1.00 49.08 O
|
|
HETATM 1109 H1 HOH A 434 -10.763 16.064 4.990 1.00 0.00 H
|
|
HETATM 1110 H2 HOH A 434 -11.213 16.190 6.431 1.00 0.00 H
|
|
HETATM 1111 O HOH A 435 12.930 13.009 26.185 1.00 43.86 O
|
|
HETATM 1112 H1 HOH A 435 12.963 13.330 27.087 1.00 0.00 H
|
|
HETATM 1113 H2 HOH A 435 13.476 13.625 25.694 1.00 0.00 H
|
|
HETATM 1114 O HOH A 436 -3.464 25.858 19.747 1.00 63.70 O
|
|
HETATM 1115 H1 HOH A 436 -3.471 26.403 18.954 1.00 0.00 H
|
|
HETATM 1116 H2 HOH A 436 -2.587 25.992 20.114 1.00 0.00 H
|
|
HETATM 1117 O HOH A 437 6.235 16.677 28.203 1.00 68.03 O
|
|
HETATM 1118 H1 HOH A 437 6.291 17.517 28.663 1.00 0.00 H
|
|
HETATM 1119 H2 HOH A 437 5.340 16.667 27.835 1.00 0.00 H
|
|
HETATM 1120 O HOH A 438 7.423 17.512 -10.650 1.00 57.40 O
|
|
HETATM 1121 H1 HOH A 438 7.010 16.951 -9.986 1.00 0.00 H
|
|
HETATM 1122 H2 HOH A 438 7.702 16.894 -11.334 1.00 0.00 H
|
|
HETATM 1123 O HOH A 439 -5.355 10.866 19.619 1.00 51.92 O
|
|
HETATM 1124 H1 HOH A 439 -6.252 10.945 19.294 1.00 0.00 H
|
|
HETATM 1125 H2 HOH A 439 -4.871 11.550 19.149 1.00 0.00 H
|
|
HETATM 1126 O HOH A 440 -8.867 11.724 17.801 1.00 59.09 O
|
|
HETATM 1127 H1 HOH A 440 -8.909 12.448 18.427 1.00 0.00 H
|
|
HETATM 1128 H2 HOH A 440 -9.457 11.061 18.162 1.00 0.00 H
|
|
HETATM 1129 O HOH A 441 13.107 15.120 7.186 1.00 56.17 O
|
|
HETATM 1130 H1 HOH A 441 12.362 15.432 7.708 1.00 0.00 H
|
|
HETATM 1131 H2 HOH A 441 13.869 15.225 7.770 1.00 0.00 H
|
|
HETATM 1132 O HOH A 442 -2.200 10.629 25.072 1.00 84.96 O
|
|
HETATM 1133 H1 HOH A 442 -1.698 11.431 25.238 1.00 0.00 H
|
|
HETATM 1134 H2 HOH A 442 -3.040 10.942 24.729 1.00 0.00 H
|
|
HETATM 1135 O HOH A 444 1.798 36.196 8.660 1.00 69.55 O
|
|
HETATM 1136 H1 HOH A 444 2.171 36.075 7.775 1.00 0.00 H
|
|
HETATM 1137 H2 HOH A 444 1.186 35.465 8.757 1.00 0.00 H
|
|
HETATM 1138 O HOH A 446 12.829 16.619 28.388 1.00 76.91 O
|
|
HETATM 1139 H1 HOH A 446 12.031 17.139 28.283 1.00 0.00 H
|
|
HETATM 1140 H2 HOH A 446 12.511 15.764 28.684 1.00 0.00 H
|
|
HETATM 1141 O HOH A 447 -1.714 7.995 25.869 1.00 53.32 O
|
|
HETATM 1142 H1 HOH A 447 -1.215 7.807 25.076 1.00 0.00 H
|
|
HETATM 1143 H2 HOH A 447 -1.895 8.941 25.818 1.00 0.00 H
|
|
HETATM 1144 O HOH A 449 17.342 21.354 17.381 1.00 78.08 O
|
|
HETATM 1145 H1 HOH A 449 17.257 20.526 17.868 1.00 0.00 H
|
|
HETATM 1146 H2 HOH A 449 17.020 22.020 17.988 1.00 0.00 H
|
|
HETATM 1147 O HOH A 450 17.554 22.356 21.606 1.00 81.11 O
|
|
HETATM 1148 H1 HOH A 450 17.863 21.463 21.445 1.00 0.00 H
|
|
HETATM 1149 H2 HOH A 450 18.333 22.902 21.491 1.00 0.00 H
|
|
HETATM 1150 O HOH A 451 21.261 19.604 17.525 1.00 60.20 O
|
|
HETATM 1151 H1 HOH A 451 21.971 20.078 17.088 1.00 0.00 H
|
|
HETATM 1152 H2 HOH A 451 20.490 20.166 17.407 1.00 0.00 H
|
|
HETATM 1153 O HOH A 452 20.618 19.027 20.159 1.00 71.08 O
|
|
HETATM 1154 H1 HOH A 452 20.831 19.188 19.232 1.00 0.00 H
|
|
HETATM 1155 H2 HOH A 452 21.279 18.398 20.447 1.00 0.00 H
|
|
HETATM 1156 O HOH A 454 3.691 16.091 27.806 1.00 75.85 O
|
|
HETATM 1157 H1 HOH A 454 3.113 15.469 27.354 1.00 0.00 H
|
|
HETATM 1158 H2 HOH A 454 3.644 15.832 28.729 1.00 0.00 H
|
|
HETATM 1159 O HOH A 456 17.778 15.979 4.727 1.00 87.15 O
|
|
HETATM 1160 H1 HOH A 456 17.578 15.048 4.815 1.00 0.00 H
|
|
HETATM 1161 H2 HOH A 456 17.841 16.297 5.638 1.00 0.00 H
|
|
HETATM 1162 O HOH A 457 2.784 6.732 0.413 1.00 58.64 O
|
|
HETATM 1163 H1 HOH A 457 3.270 6.190 1.038 1.00 0.00 H
|
|
HETATM 1164 H2 HOH A 457 2.569 6.134 -0.304 1.00 0.00 H
|
|
HETATM 1165 O HOH A 458 6.812 6.267 3.872 1.00 78.10 O
|
|
HETATM 1166 H1 HOH A 458 6.068 6.869 3.796 1.00 0.00 H
|
|
HETATM 1167 H2 HOH A 458 7.515 6.697 3.386 1.00 0.00 H
|
|
HETATM 1168 O HOH A 459 11.360 23.250 27.379 1.00 91.15 O
|
|
HETATM 1169 H1 HOH A 459 10.875 24.075 27.257 1.00 0.00 H
|
|
HETATM 1170 H2 HOH A 459 11.895 23.176 26.588 1.00 0.00 H
|
|
HETATM 1171 O HOH A 460 11.533 21.478 -4.909 1.00 61.19 O
|
|
HETATM 1172 H1 HOH A 460 11.125 21.466 -4.035 1.00 0.00 H
|
|
HETATM 1173 H2 HOH A 460 11.171 22.260 -5.324 1.00 0.00 H
|
|
HETATM 1174 O HOH A 461 -2.761 38.231 3.181 1.00 84.62 O
|
|
HETATM 1175 H1 HOH A 461 -1.871 38.468 3.455 1.00 0.00 H
|
|
HETATM 1176 H2 HOH A 461 -2.645 37.814 2.327 1.00 0.00 H
|
|
HETATM 1177 O HOH A 462 -5.015 39.320 4.311 1.00 88.70 O
|
|
HETATM 1178 H1 HOH A 462 -4.698 40.216 4.219 1.00 0.00 H
|
|
HETATM 1179 H2 HOH A 462 -4.298 38.779 3.950 1.00 0.00 H
|
|
HETATM 1180 O HOH A 463 10.179 21.307 3.687 1.00 49.11 O
|
|
HETATM 1181 H1 HOH A 463 9.722 21.057 4.495 1.00 0.00 H
|
|
HETATM 1182 H2 HOH A 463 11.079 20.973 3.815 1.00 0.00 H
|
|
HETATM 1183 O HOH A 464 -1.283 31.486 14.715 1.00 75.28 O
|
|
HETATM 1184 H1 HOH A 464 -0.458 31.251 14.289 1.00 0.00 H
|
|
HETATM 1185 H2 HOH A 464 -1.540 30.684 15.190 1.00 0.00 H
|
|
HETATM 1186 O HOH A 465 -3.174 28.185 6.783 1.00 76.66 O
|
|
HETATM 1187 H1 HOH A 465 -3.814 28.666 7.321 1.00 0.00 H
|
|
HETATM 1188 H2 HOH A 465 -3.169 28.650 5.944 1.00 0.00 H
|
|
HETATM 1189 O HOH A 466 -5.798 24.608 20.375 1.00 86.02 O
|
|
HETATM 1190 H1 HOH A 466 -5.419 23.785 20.680 1.00 0.00 H
|
|
HETATM 1191 H2 HOH A 466 -5.032 25.168 20.192 1.00 0.00 H
|
|
HETATM 1192 O HOH A 467 -10.433 22.178 -0.029 1.00 70.77 O
|
|
HETATM 1193 H1 HOH A 467 -10.696 21.582 0.672 1.00 0.00 H
|
|
HETATM 1194 H2 HOH A 467 -9.472 22.144 -0.019 1.00 0.00 H
|
|
HETATM 1195 O HOH A 468 -12.736 19.373 14.748 1.00 67.61 O
|
|
HETATM 1196 H1 HOH A 468 -13.404 19.567 14.089 1.00 0.00 H
|
|
HETATM 1197 H2 HOH A 468 -12.581 20.211 15.186 1.00 0.00 H
|
|
HETATM 1198 O HOH A 469 -12.719 15.279 19.686 1.00 72.04 O
|
|
HETATM 1199 H1 HOH A 469 -11.938 15.746 19.984 1.00 0.00 H
|
|
HETATM 1200 H2 HOH A 469 -12.734 14.477 20.208 1.00 0.00 H
|
|
HETATM 1201 O HOH A 470 14.152 20.306 23.565 1.00 67.11 O
|
|
HETATM 1202 H1 HOH A 470 14.822 20.685 24.137 1.00 0.00 H
|
|
HETATM 1203 H2 HOH A 470 14.616 19.594 23.101 1.00 0.00 H
|
|
HETATM 1204 O HOH A 471 13.538 23.641 18.923 1.00 71.61 O
|
|
HETATM 1205 H1 HOH A 471 13.182 23.149 18.177 1.00 0.00 H
|
|
HETATM 1206 H2 HOH A 471 13.920 22.968 19.489 1.00 0.00 H
|
|
HETATM 1207 O HOH A 472 -2.426 22.296 24.456 1.00 58.68 O
|
|
HETATM 1208 H1 HOH A 472 -1.824 21.550 24.486 1.00 0.00 H
|
|
HETATM 1209 H2 HOH A 472 -2.172 22.837 25.206 1.00 0.00 H
|
|
HETATM 1210 O HOH A 473 -4.196 19.616 27.496 1.00 73.73 O
|
|
HETATM 1211 H1 HOH A 473 -4.186 20.369 28.087 1.00 0.00 H
|
|
HETATM 1212 H2 HOH A 473 -3.490 19.052 27.815 1.00 0.00 H
|
|
HETATM 1213 O HOH A 474 -3.309 5.980 5.845 1.00 68.19 O
|
|
HETATM 1214 H1 HOH A 474 -3.838 5.345 6.332 1.00 0.00 H
|
|
HETATM 1215 H2 HOH A 474 -3.906 6.325 5.178 1.00 0.00 H
|
|
HETATM 1216 O HOH A 475 17.838 23.280 1.198 1.00 77.31 O
|
|
HETATM 1217 H1 HOH A 475 18.005 22.946 2.080 1.00 0.00 H
|
|
HETATM 1218 H2 HOH A 475 16.886 23.249 1.107 1.00 0.00 H
|
|
HETATM 1219 O HOH A 476 10.307 16.081 6.990 1.00 59.61 O
|
|
HETATM 1220 H1 HOH A 476 10.750 16.852 7.367 1.00 0.00 H
|
|
HETATM 1221 H2 HOH A 476 10.894 15.787 6.290 1.00 0.00 H
|
|
HETATM 1222 O HOH A 477 11.355 23.439 4.466 1.00 66.34 O
|
|
HETATM 1223 H1 HOH A 477 10.901 22.829 3.870 1.00 0.00 H
|
|
HETATM 1224 H2 HOH A 477 12.059 23.808 3.935 1.00 0.00 H
|
|
HETATM 1225 O HOH A 478 17.221 12.554 13.119 1.00 53.33 O
|
|
HETATM 1226 H1 HOH A 478 17.675 13.340 12.793 1.00 0.00 H
|
|
HETATM 1227 H2 HOH A 478 17.910 11.893 13.189 1.00 0.00 H
|
|
HETATM 1228 O HOH A 479 6.483 28.190 5.603 1.00 90.05 O
|
|
HETATM 1229 H1 HOH A 479 6.350 28.405 4.680 1.00 0.00 H
|
|
HETATM 1230 H2 HOH A 479 6.782 27.278 5.595 1.00 0.00 H
|
|
HETATM 1231 O HOH A 480 -1.050 28.108 4.394 1.00 85.46 O
|
|
HETATM 1232 H1 HOH A 480 -0.904 27.942 5.328 1.00 0.00 H
|
|
HETATM 1233 H2 HOH A 480 -0.405 28.792 4.169 1.00 0.00 H
|
|
HETATM 1234 O HOH A 481 7.764 6.413 14.803 1.00 47.44 O
|
|
HETATM 1235 H1 HOH A 481 7.927 7.153 15.390 1.00 0.00 H
|
|
HETATM 1236 H2 HOH A 481 7.543 6.819 13.965 1.00 0.00 H
|
|
HETATM 1237 O HOH A 482 -1.304 30.550 17.203 1.00 47.05 O
|
|
HETATM 1238 H1 HOH A 482 -2.121 30.831 17.619 1.00 0.00 H
|
|
HETATM 1239 H2 HOH A 482 -0.966 31.348 16.785 1.00 0.00 H
|
|
HETATM 1240 O HOH A 484 3.582 11.825 -5.019 1.00 54.04 O
|
|
HETATM 1241 H1 HOH A 484 4.118 12.609 -4.883 1.00 0.00 H
|
|
HETATM 1242 H2 HOH A 484 2.776 12.157 -5.424 1.00 0.00 H
|
|
HETATM 1243 O HOH A 485 10.477 17.818 1.534 1.00 52.39 O
|
|
HETATM 1244 H1 HOH A 485 10.080 18.415 0.889 1.00 0.00 H
|
|
HETATM 1245 H2 HOH A 485 11.050 18.380 2.054 1.00 0.00 H
|
|
HETATM 1246 O HOH A 486 8.350 13.220 -2.518 1.00 51.86 O
|
|
HETATM 1247 H1 HOH A 486 7.500 12.811 -2.685 1.00 0.00 H
|
|
HETATM 1248 H2 HOH A 486 8.871 13.018 -3.295 1.00 0.00 H
|
|
HETATM 1249 O HOH A 487 10.766 31.335 -1.067 1.00 53.16 O
|
|
HETATM 1250 H1 HOH A 487 9.819 31.209 -0.984 1.00 0.00 H
|
|
HETATM 1251 H2 HOH A 487 11.147 30.557 -0.661 1.00 0.00 H
|
|
HETATM 1252 O HOH A 488 -1.322 36.803 5.890 1.00 51.31 O
|
|
HETATM 1253 H1 HOH A 488 -2.260 36.695 6.053 1.00 0.00 H
|
|
HETATM 1254 H2 HOH A 488 -0.911 36.077 6.358 1.00 0.00 H
|
|
HETATM 1255 O HOH A 489 -8.558 12.902 5.180 1.00 53.15 O
|
|
HETATM 1256 H1 HOH A 489 -8.421 13.507 4.441 1.00 0.00 H
|
|
HETATM 1257 H2 HOH A 489 -9.446 12.564 5.045 1.00 0.00 H
|
|
MASTER 234 0 0 4 5 0 0 6 1256 1 0 8
|
|
END
|