USER MOD reduce.3.24.130724 H: found=0, std=0, add=1173, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER CYTOKINE 14-SEP-07 2RA4 TITLE CRYSTAL STRUCTURE OF HUMAN MONOCYTE CHEMOATTRACTANT PROTEIN 4 (MCP- TITLE 2 4/CCL13) COMPND MOL_ID: 1; COMPND 2 MOLECULE: SMALL-INDUCIBLE CYTOKINE A13; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: CCL13, MONOCYTE CHEMOTACTIC PROTEIN 4, MCP-4, MONOCYTE COMPND 5 CHEMOATTRACTANT PROTEIN 4, CK-BETA-10, NCC-1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CCL13, MCP4, NCC1, SCYA13; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)TRXB; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET-11D KEYWDS CCL13, MCP-4, CC CHEMOKINE FAMILY, CHEMOTAXIS, MONOCYTES, CYTOKINE, KEYWDS 2 INFLAMMATORY RESPONSE, PYRROLIDONE CARBOXYLIC ACID, SECRETED EXPDTA X-RAY DIFFRACTION AUTHOR J.LUBKOWSKI,C.BARINKA REVDAT 3 13-JUL-11 2RA4 1 VERSN REVDAT 2 24-FEB-09 2RA4 1 VERSN REVDAT 1 18-MAR-08 2RA4 0 JRNL AUTH C.BARINKA,A.PRAHL,J.LUBKOWSKI JRNL TITL STRUCTURE OF HUMAN MONOCYTE CHEMOATTRACTANT PROTEIN 4 JRNL TITL 2 (MCP-4/CCL13). JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 64 273 2008 JRNL REFN ISSN 0907-4449 JRNL PMID 18323622 JRNL DOI 10.1107/S0907444907066164 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 14898 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.182 REMARK 3 R VALUE (WORKING SET) : 0.180 REMARK 3 FREE R VALUE : 0.216 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 783 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.75 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1073 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.38 REMARK 3 BIN R VALUE (WORKING SET) : 0.2330 REMARK 3 BIN FREE R VALUE SET COUNT : 54 REMARK 3 BIN FREE R VALUE : 0.2870 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1038 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 37 REMARK 3 SOLVENT ATOMS : 72 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.72 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.10000 REMARK 3 B22 (A**2) : -0.10000 REMARK 3 B33 (A**2) : 0.19000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.108 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.106 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.069 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.106 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.958 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1153 ; 0.020 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1555 ; 1.926 ; 1.986 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 128 ; 5.558 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 45 ;27.380 ;22.889 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 239 ;14.938 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;21.215 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 175 ; 0.149 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 782 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 483 ; 0.227 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 760 ; 0.313 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 66 ; 0.241 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 54 ; 0.200 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.174 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 689 ; 1.494 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1100 ; 2.198 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 522 ; 3.383 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 455 ; 4.687 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 3 A 67 REMARK 3 ORIGIN FOR THE GROUP (A): 50.6025 28.1443 25.3157 REMARK 3 T TENSOR REMARK 3 T11: -0.0666 T22: -0.0818 REMARK 3 T33: -0.0671 T12: 0.0252 REMARK 3 T13: -0.0065 T23: 0.0068 REMARK 3 L TENSOR REMARK 3 L11: 2.4983 L22: 2.0182 REMARK 3 L33: 3.1448 L12: 1.0591 REMARK 3 L13: 1.2986 L23: 0.9233 REMARK 3 S TENSOR REMARK 3 S11: -0.0371 S12: 0.0118 S13: 0.0131 REMARK 3 S21: 0.1779 S22: 0.0244 S23: -0.0023 REMARK 3 S31: 0.0480 S32: 0.0740 S33: 0.0127 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 3 B 67 REMARK 3 ORIGIN FOR THE GROUP (A): 39.9301 21.2912 4.9028 REMARK 3 T TENSOR REMARK 3 T11: -0.0479 T22: -0.0339 REMARK 3 T33: -0.0397 T12: 0.0214 REMARK 3 T13: -0.0053 T23: -0.0398 REMARK 3 L TENSOR REMARK 3 L11: 4.8907 L22: 0.8923 REMARK 3 L33: 3.4943 L12: 0.0464 REMARK 3 L13: 2.1436 L23: -0.0386 REMARK 3 S TENSOR REMARK 3 S11: 0.0857 S12: 0.3958 S13: -0.1217 REMARK 3 S21: -0.1400 S22: -0.1041 S23: 0.1775 REMARK 3 S31: 0.1385 S32: 0.0074 S33: 0.0184 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 2RA4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-OCT-07. REMARK 100 THE RCSB ID CODE IS RCSB044615. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-NOV-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15683 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 12.700 REMARK 200 R MERGE (I) : 0.07200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 26.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 REMARK 200 DATA REDUNDANCY IN SHELL : 5.40 REMARK 200 R MERGE FOR SHELL (I) : 0.56800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: PDB ENTRY 1DOK REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.23 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M BIS-TRIS, 2 M AMMONIUM SULFATE, REMARK 280 PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 8555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 37.33650 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 37.33650 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 25.82500 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 37.33650 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 37.33650 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 25.82500 REMARK 290 SMTRY1 7 0.000000 -1.000000 0.000000 37.33650 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 37.33650 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 25.82500 REMARK 290 SMTRY1 8 0.000000 1.000000 0.000000 37.33650 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 37.33650 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 25.82500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2910 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 26260 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7040 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 8250 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 74.67300 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 74.67300 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 O1 SO4 B 78 LIES ON A SPECIAL POSITION. REMARK 375 S SO4 B 78 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 0 REMARK 465 GLN A 1 REMARK 465 PRO A 2 REMARK 465 ARG A 68 REMARK 465 LYS A 69 REMARK 465 ALA A 70 REMARK 465 HIS A 71 REMARK 465 THR A 72 REMARK 465 LEU A 73 REMARK 465 LYS A 74 REMARK 465 THR A 75 REMARK 465 MET B 0 REMARK 465 GLN B 1 REMARK 465 PRO B 2 REMARK 465 ARG B 68 REMARK 465 LYS B 69 REMARK 465 ALA B 70 REMARK 465 HIS B 71 REMARK 465 THR B 72 REMARK 465 LEU B 73 REMARK 465 LYS B 74 REMARK 465 THR B 75 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O3 SO4 A 78 O HOH A 114 1.87 REMARK 500 OD1 ASN A 61 O HOH A 111 1.96 REMARK 500 NH1 ARG B 34 O HOH B 100 2.10 REMARK 500 OG1 THR B 44 F3 TFA B 79 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG B 43 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 76 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 77 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 76 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 77 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 78 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 78 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TFA B 79 DBREF 2RA4 A 1 75 UNP Q99616 CCL13_HUMAN 24 98 DBREF 2RA4 B 1 75 UNP Q99616 CCL13_HUMAN 24 98 SEQADV 2RA4 MET A 0 UNP Q99616 INITIATING METHIONINE SEQADV 2RA4 MET B 0 UNP Q99616 INITIATING METHIONINE SEQRES 1 A 76 MET GLN PRO ASP ALA LEU ASN VAL PRO SER THR CYS CYS SEQRES 2 A 76 PHE THR PHE SER SER LYS LYS ILE SER LEU GLN ARG LEU SEQRES 3 A 76 LYS SER TYR VAL ILE THR THR SER ARG CYS PRO GLN LYS SEQRES 4 A 76 ALA VAL ILE PHE ARG THR LYS LEU GLY LYS GLU ILE CYS SEQRES 5 A 76 ALA ASP PRO LYS GLU LYS TRP VAL GLN ASN TYR MET LYS SEQRES 6 A 76 HIS LEU GLY ARG LYS ALA HIS THR LEU LYS THR SEQRES 1 B 76 MET GLN PRO ASP ALA LEU ASN VAL PRO SER THR CYS CYS SEQRES 2 B 76 PHE THR PHE SER SER LYS LYS ILE SER LEU GLN ARG LEU SEQRES 3 B 76 LYS SER TYR VAL ILE THR THR SER ARG CYS PRO GLN LYS SEQRES 4 B 76 ALA VAL ILE PHE ARG THR LYS LEU GLY LYS GLU ILE CYS SEQRES 5 B 76 ALA ASP PRO LYS GLU LYS TRP VAL GLN ASN TYR MET LYS SEQRES 6 B 76 HIS LEU GLY ARG LYS ALA HIS THR LEU LYS THR HET SO4 A 76 5 HET SO4 A 77 5 HET SO4 A 78 5 HET SO4 B 76 5 HET SO4 B 77 5 HET SO4 B 78 5 HET TFA B 79 7 HETNAM SO4 SULFATE ION HETNAM TFA TRIFLUOROACETIC ACID FORMUL 3 SO4 6(O4 S 2-) FORMUL 9 TFA C2 H F3 O2 FORMUL 10 HOH *72(H2 O) HELIX 1 1 SER A 21 GLN A 23 5 3 HELIX 2 2 GLU A 56 GLY A 67 1 12 HELIX 3 3 SER B 21 GLN B 23 5 3 HELIX 4 4 GLU B 56 GLY B 67 1 12 SHEET 1 A 2 SER A 9 CYS A 11 0 SHEET 2 A 2 SER B 9 CYS B 11 -1 O CYS B 11 N SER A 9 SHEET 1 B 3 LEU A 25 ILE A 30 0 SHEET 2 B 3 VAL A 40 THR A 44 -1 O ARG A 43 N LYS A 26 SHEET 3 B 3 GLU A 49 ALA A 52 -1 O ILE A 50 N PHE A 42 SHEET 1 C 3 LEU B 25 ILE B 30 0 SHEET 2 C 3 VAL B 40 THR B 44 -1 O ARG B 43 N LYS B 26 SHEET 3 C 3 GLU B 49 ALA B 52 -1 O ALA B 52 N VAL B 40 SSBOND *** CYS A 11 CYS A 35 1555 1555 2.10 SSBOND *** CYS A 12 CYS A 51 1555 1555 2.18 SSBOND *** CYS B 11 CYS B 35 1555 1555 2.09 SSBOND *** CYS B 12 CYS B 51 1555 1555 2.18 SITE *** AC1 7 LYS A 18 ILE A 20 SER A 21 ARG A 24 SITE *** AC1 7 THR A 32 SER A 33 HOH A 107 SITE *** AC2 9 SER A 9 LYS A 18 ARG A 24 THR A 32 SITE *** AC2 9 ARG A 34 LYS A 48 HOH A 84 HOH A 110 SITE *** AC2 9 LEU B 5 SITE *** AC3 9 LEU A 5 SER B 9 LYS B 18 ARG B 24 SITE *** AC3 9 THR B 32 ARG B 34 LYS B 48 HOH B 87 SITE *** AC3 9 HOH B 100 SITE *** AC4 7 LYS A 55 LYS B 18 SER B 21 ARG B 24 SITE *** AC4 7 THR B 32 SER B 33 HOH B 99 SITE *** AC5 8 THR A 10 ARG A 24 THR A 44 LEU A 46 SITE *** AC5 8 LYS A 48 HOH A 84 HOH A 114 HOH A 115 SITE *** AC6 1 LYS B 26 SITE *** AC7 7 ARG B 24 THR B 44 LYS B 45 LEU B 46 SITE *** AC7 7 LYS B 48 HOH B 97 HOH B 101 CRYST1 74.673 74.673 51.650 90.00 90.00 90.00 I 4 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013392 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013392 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019361 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 79 TFA HXT : B 79 TFA OXT : B 79 TFA C1 :(short bond) USER MOD Set 1.1: B 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 63 MET CE :methyl -167:sc= -5.45! (180deg=-6.18!) USER MOD Set 2.1: B 23 GLN A: amide:sc= -1.45 K(o=-1.3,f=-1.9) USER MOD Set 2.2: B 45 LYS NZ :NH3+ 156:sc= 0.108 (180deg=0.247) USER MOD Set 3.1: B 21 SER OG : rot 123:sc= -5.87! USER MOD Set 3.2: B 23 GLN B:FLIP amide:sc= -0.0708 F(o=-6.6,f=-5.9) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -143:sc= 0.327 (180deg=-0.101) USER MOD Set 4.2: A 62 TYR OH : rot -166:sc= 1.66 USER MOD Set 5.1: A 61 ASN B: amide:sc= 0 X(o=0.1,f=0.1) USER MOD Set 5.2: A 65 HIS A: no HE2:sc= 0.102 K(o=0.1,f=-0.44) USER MOD Set 6.1: A 23 GLN A: amide:sc= -0.4 K(o=0.21,f=-0.64) USER MOD Set 6.2: A 45 LYS NZ :NH3+ 160:sc= 0.614 (180deg=0.439) USER MOD Set 7.1: A 21 SER OG : rot 130:sc= -5.58! USER MOD Set 7.2: A 23 GLN B: amide:sc= -1.26 X(o=-6.8,f=-7) USER MOD Set 8.1: A 14 THR OG1 : rot 9:sc= -0.1 USER MOD Set 8.2: B 6 ASN :FLIP amide:sc= 0.147 F(o=-1.3!,f=0.047) USER MOD Set 9.1: A 6 ASN : amide:sc= -1.08! X(o=-0.42!,f=-0.72) USER MOD Set 9.2: B 14 THR OG1 : rot 128:sc= 0.66 USER MOD Single : A 9 SER OG : rot 77:sc= 0.972 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 86:sc= 1.83 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0872 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 1.81 (180deg=1.8) USER MOD Single : A 26 LYS NZ A:NH3+ 172:sc=-0.00805 (180deg=-0.0452) USER MOD Single : A 26 LYS NZ B:NH3+ -146:sc= 0.357 (180deg=0.0635) USER MOD Single : A 27 SER OG : rot 180:sc=-0.000279 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.83 USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.0636 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 156:sc= 1.55 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.402 (180deg=0.285) USER MOD Single : A 55 LYS NZ A:NH3+ 138:sc= 0.447 (180deg=-0.216) USER MOD Single : A 55 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0.0136 K(o=0.014,f=-1) USER MOD Single : A 61 ASN A: amide:sc= -0.0294 K(o=-0.029,f=-1.1) USER MOD Single : A 63 MET CE A:methyl 179:sc= -0.229 (180deg=-0.243) USER MOD Single : A 63 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc=-0.00316 (180deg=-0.0519) USER MOD Single : A 65 HIS B:FLIP no HD1:sc= -1.36 F(o=-2.4!,f=-1.4) USER MOD Single : B 9 SER OG : rot 85:sc= 0.781 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 86:sc= 1.76 USER MOD Single : B 17 SER OG : rot 180:sc= 0.0277 USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= 0.897 (180deg=0.821) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ -132:sc= 1.28 (180deg=0.739) USER MOD Single : B 27 SER OG : rot 180:sc= -0.139 USER MOD Single : B 31 THR OG1 : rot 53:sc= 1.88 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG A: rot 180:sc= 0.0214 USER MOD Single : B 33 SER OG B: rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0.13 K(o=0.13,f=-0.62) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 118:sc= -2.06! USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= 0.224 (180deg=0.193) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 GLN :FLIP amide:sc= 0.531 F(o=-0.69,f=0.53) USER MOD Single : B 61 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.84) USER MOD Single : B 62 TYR OH : rot 161:sc= 0.883 USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 HIS A: no HD1:sc= -0.0509 X(o=-0.051,f=-0.017) USER MOD Single : B 65 HIS B:FLIP no HD1:sc= -1.05 F(o=-1.9!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 3 26.251 11.288 11.662 1.00 32.69 N ATOM 2 CA ASP A 3 27.291 12.035 10.866 1.00 33.75 C ATOM 3 C ASP A 3 27.383 13.489 11.303 1.00 32.49 C ATOM 4 O ASP A 3 26.382 14.089 11.708 1.00 33.09 O ATOM 5 CB ASP A 3 26.949 11.964 9.372 1.00 34.48 C ATOM 6 CG ASP A 3 27.053 10.544 8.812 1.00 37.51 C ATOM 7 OD1 ASP A 3 27.621 9.646 9.489 1.00 40.05 O ATOM 8 OD2 ASP A 3 26.572 10.340 7.681 1.00 39.33 O ATOM 0 HA ASP A 3 28.151 11.617 11.026 1.00 33.75 H new ATOM 0 HB2 ASP A 3 26.049 12.298 9.233 1.00 34.48 H new ATOM 0 HB3 ASP A 3 27.547 12.547 8.879 1.00 34.48 H new ATOM 9 N ALA A 4 28.577 14.072 11.223 1.00 31.21 N ATOM 10 CA ALA A 4 28.777 15.417 11.758 1.00 29.27 C ATOM 11 C ALA A 4 29.968 16.015 11.078 1.00 28.30 C ATOM 12 O ALA A 4 30.741 15.312 10.438 1.00 28.86 O ATOM 13 CB ALA A 4 29.011 15.397 13.260 1.00 29.55 C ATOM 0 H ALA A 4 29.274 13.713 10.869 1.00 31.21 H new ATOM 0 HA ALA A 4 27.978 15.942 11.594 1.00 29.27 H new ATOM 0 HB1 ALA A 4 29.139 16.304 13.580 1.00 29.55 H new ATOM 0 HB2 ALA A 4 28.242 15.004 13.702 1.00 29.55 H new ATOM 0 HB3 ALA A 4 29.801 14.870 13.458 1.00 29.55 H new ATOM 14 N LEU A 5 30.077 17.327 11.185 1.00 26.55 N ATOM 15 CA LEU A 5 31.269 17.985 10.755 1.00 26.62 C ATOM 16 C LEU A 5 32.285 17.849 11.873 1.00 26.15 C ATOM 17 O LEU A 5 31.942 17.858 13.087 1.00 26.61 O ATOM 18 CB LEU A 5 30.976 19.455 10.534 1.00 27.04 C ATOM 19 CG LEU A 5 30.525 19.903 9.126 1.00 32.23 C ATOM 20 CD1 LEU A 5 30.209 18.847 8.076 1.00 31.17 C ATOM 21 CD2 LEU A 5 29.489 20.971 9.187 1.00 33.01 C ATOM 0 H LEU A 5 29.469 17.845 11.504 1.00 26.55 H new ATOM 0 HA LEU A 5 31.600 17.597 9.930 1.00 26.62 H new ATOM 0 HB2 LEU A 5 30.287 19.718 11.164 1.00 27.04 H new ATOM 0 HB3 LEU A 5 31.775 19.955 10.763 1.00 27.04 H new ATOM 0 HG LEU A 5 31.352 20.264 8.771 1.00 32.23 H new ATOM 0 HD11 LEU A 5 29.942 19.281 7.251 1.00 31.17 H new ATOM 0 HD12 LEU A 5 30.997 18.304 7.915 1.00 31.17 H new ATOM 0 HD13 LEU A 5 29.487 18.282 8.392 1.00 31.17 H new ATOM 0 HD21 LEU A 5 29.232 21.225 8.287 1.00 33.01 H new ATOM 0 HD22 LEU A 5 28.711 20.641 9.664 1.00 33.01 H new ATOM 0 HD23 LEU A 5 29.848 21.744 9.651 1.00 33.01 H new ATOM 22 N ASN A 6 33.549 17.733 11.499 1.00 25.29 N ATOM 23 CA ASN A 6 34.607 17.743 12.511 1.00 25.19 C ATOM 24 C ASN A 6 35.505 18.920 12.211 1.00 25.62 C ATOM 25 O ASN A 6 35.590 19.339 11.045 1.00 26.16 O ATOM 26 CB ASN A 6 35.430 16.455 12.480 1.00 26.83 C ATOM 27 CG ASN A 6 34.736 15.292 13.267 1.00 33.75 C ATOM 28 OD1 ASN A 6 35.252 14.169 13.349 1.00 38.37 O ATOM 29 ND2 ASN A 6 33.579 15.585 13.855 1.00 38.21 N ATOM 0 H ASN A 6 33.817 17.649 10.686 1.00 25.29 H new ATOM 0 HA ASN A 6 34.209 17.811 13.393 1.00 25.19 H new ATOM 0 HB2 ASN A 6 35.568 16.183 11.559 1.00 26.83 H new ATOM 0 HB3 ASN A 6 36.306 16.623 12.861 1.00 26.83 H new ATOM 0 HD21 ASN A 6 33.164 14.985 14.310 1.00 38.21 H new ATOM 0 HD22 ASN A 6 33.246 16.374 13.780 1.00 38.21 H new ATOM 30 N VAL A 7 36.108 19.463 13.245 1.00 24.71 N ATOM 31 CA VAL A 7 36.884 20.702 13.063 1.00 26.65 C ATOM 32 C VAL A 7 38.339 20.522 13.501 1.00 25.56 C ATOM 33 O VAL A 7 38.656 19.558 14.236 1.00 26.85 O ATOM 34 CB VAL A 7 36.265 21.890 13.840 1.00 27.10 C ATOM 35 CG1 VAL A 7 34.764 22.047 13.366 1.00 26.95 C ATOM 36 CG2 VAL A 7 36.389 21.637 15.360 1.00 29.46 C ATOM 0 H VAL A 7 36.091 19.152 14.046 1.00 24.71 H new ATOM 0 HA VAL A 7 36.859 20.901 12.114 1.00 26.65 H new ATOM 0 HB VAL A 7 36.733 22.720 13.658 1.00 27.10 H new ATOM 0 HG11 VAL A 7 34.351 22.787 13.838 1.00 26.95 H new ATOM 0 HG12 VAL A 7 34.742 22.221 12.412 1.00 26.95 H new ATOM 0 HG13 VAL A 7 34.277 21.230 13.557 1.00 26.95 H new ATOM 0 HG21 VAL A 7 36.001 22.382 15.845 1.00 29.46 H new ATOM 0 HG22 VAL A 7 35.919 20.821 15.592 1.00 29.46 H new ATOM 0 HG23 VAL A 7 37.325 21.549 15.598 1.00 29.46 H new ATOM 37 N PRO A 8 39.227 21.428 13.059 1.00 26.21 N ATOM 38 CA PRO A 8 40.668 21.194 13.371 1.00 26.07 C ATOM 39 C PRO A 8 41.080 21.363 14.834 1.00 25.76 C ATOM 40 O PRO A 8 40.319 21.965 15.661 1.00 27.45 O ATOM 41 CB PRO A 8 41.434 22.233 12.481 1.00 26.70 C ATOM 42 CG PRO A 8 40.369 22.733 11.460 1.00 27.42 C ATOM 43 CD PRO A 8 39.003 22.546 12.103 1.00 25.73 C ATOM 0 HA PRO A 8 40.875 20.264 13.191 1.00 26.07 H new ATOM 0 HB2 PRO A 8 41.783 22.965 13.014 1.00 26.70 H new ATOM 0 HB3 PRO A 8 42.190 21.824 12.031 1.00 26.70 H new ATOM 0 HG2 PRO A 8 40.518 23.666 11.239 1.00 27.42 H new ATOM 0 HG3 PRO A 8 40.428 22.232 10.631 1.00 27.42 H new ATOM 0 HD2 PRO A 8 38.707 23.351 12.556 1.00 25.73 H new ATOM 0 HD3 PRO A 8 38.325 22.325 11.446 1.00 25.73 H new ATOM 44 N SER A 9 42.260 20.852 15.154 1.00 24.67 N ATOM 45 CA SER A 9 42.884 20.969 16.468 1.00 25.68 C ATOM 46 C SER A 9 44.058 21.931 16.365 1.00 25.56 C ATOM 47 O SER A 9 44.499 22.252 15.258 1.00 27.60 O ATOM 48 CB SER A 9 43.420 19.586 16.859 1.00 25.65 C ATOM 49 OG SER A 9 42.323 18.628 16.993 1.00 27.15 O ATOM 0 H SER A 9 42.739 20.411 14.592 1.00 24.67 H new ATOM 0 HA SER A 9 42.246 21.290 17.124 1.00 25.68 H new ATOM 0 HB2 SER A 9 44.047 19.275 16.188 1.00 25.65 H new ATOM 0 HB3 SER A 9 43.907 19.647 17.696 1.00 25.65 H new ATOM 0 HG SER A 9 42.062 18.392 16.230 1.00 27.15 H new ATOM 50 N THR A 10 44.498 22.430 17.512 1.00 24.76 N ATOM 51 CA THR A 10 45.561 23.394 17.531 1.00 26.57 C ATOM 52 C THR A 10 46.758 22.694 18.160 1.00 27.73 C ATOM 53 O THR A 10 46.650 22.204 19.306 1.00 27.94 O ATOM 54 CB THR A 10 45.098 24.584 18.361 1.00 29.45 C ATOM 55 OG1 THR A 10 43.934 25.136 17.698 1.00 30.69 O ATOM 56 CG2 THR A 10 46.170 25.632 18.389 1.00 29.87 C ATOM 0 H THR A 10 44.188 22.218 18.286 1.00 24.76 H new ATOM 0 HA THR A 10 45.802 23.720 16.650 1.00 26.57 H new ATOM 0 HB THR A 10 44.899 24.308 19.269 1.00 29.45 H new ATOM 0 HG1 THR A 10 43.651 25.797 18.133 1.00 30.69 H new ATOM 0 HG21 THR A 10 45.870 26.387 18.919 1.00 29.87 H new ATOM 0 HG22 THR A 10 46.975 25.261 18.782 1.00 29.87 H new ATOM 0 HG23 THR A 10 46.359 25.926 17.484 1.00 29.87 H new ATOM 57 N CYS A 11 47.896 22.675 17.467 1.00 26.39 N ATOM 58 CA CYS A 11 49.115 22.029 18.010 1.00 27.48 C ATOM 59 C CYS A 11 50.312 22.966 17.896 1.00 29.16 C ATOM 60 O CYS A 11 50.297 23.837 17.018 1.00 29.66 O ATOM 61 CB CYS A 11 49.455 20.784 17.239 1.00 30.51 C ATOM 62 SG CYS A 11 48.283 19.426 17.540 1.00 34.69 S ATOM 0 H CYS A 11 47.993 23.024 16.687 1.00 26.39 H new ATOM 0 HA CYS A 11 48.931 21.813 18.938 1.00 27.48 H new ATOM 0 HB2 CYS A 11 49.469 20.989 16.291 1.00 30.51 H new ATOM 0 HB3 CYS A 11 50.349 20.494 17.480 1.00 30.51 H new ATOM 63 N CYS A 12 51.301 22.813 18.792 1.00 26.33 N ATOM 64 CA CYS A 12 52.560 23.582 18.664 1.00 27.15 C ATOM 65 C CYS A 12 53.699 22.655 18.177 1.00 28.60 C ATOM 66 O CYS A 12 53.913 21.609 18.769 1.00 29.99 O ATOM 67 CB CYS A 12 52.947 24.160 20.021 1.00 29.23 C ATOM 68 SG CYS A 12 51.804 25.471 20.496 1.00 34.36 S ATOM 0 H CYS A 12 51.268 22.282 19.468 1.00 26.33 H new ATOM 0 HA CYS A 12 52.425 24.298 18.024 1.00 27.15 H new ATOM 0 HB2 CYS A 12 52.941 23.459 20.691 1.00 29.23 H new ATOM 0 HB3 CYS A 12 53.851 24.509 19.984 1.00 29.23 H new ATOM 69 N PHE A 13 54.444 23.026 17.140 1.00 27.45 N ATOM 70 CA PHE A 13 55.587 22.211 16.731 1.00 28.23 C ATOM 71 C PHE A 13 56.917 22.930 16.933 1.00 28.34 C ATOM 72 O PHE A 13 57.958 22.341 16.693 1.00 28.91 O ATOM 73 CB PHE A 13 55.427 21.890 15.266 1.00 29.42 C ATOM 74 CG PHE A 13 54.217 21.051 15.023 1.00 28.15 C ATOM 75 CD1 PHE A 13 53.105 21.601 14.478 1.00 30.64 C ATOM 76 CD2 PHE A 13 54.203 19.724 15.396 1.00 34.73 C ATOM 77 CE1 PHE A 13 51.969 20.791 14.247 1.00 29.20 C ATOM 78 CE2 PHE A 13 53.087 18.917 15.179 1.00 35.77 C ATOM 79 CZ PHE A 13 51.964 19.481 14.632 1.00 32.09 C ATOM 0 H PHE A 13 54.310 23.732 16.667 1.00 27.45 H new ATOM 0 HA PHE A 13 55.603 21.411 17.279 1.00 28.23 H new ATOM 0 HB2 PHE A 13 55.359 22.714 14.758 1.00 29.42 H new ATOM 0 HB3 PHE A 13 56.216 21.424 14.947 1.00 29.42 H new ATOM 0 HD1 PHE A 13 53.089 22.504 14.258 1.00 30.64 H new ATOM 0 HD2 PHE A 13 54.956 19.358 15.802 1.00 34.73 H new ATOM 0 HE1 PHE A 13 51.221 21.153 13.830 1.00 29.20 H new ATOM 0 HE2 PHE A 13 53.104 18.014 15.401 1.00 35.77 H new ATOM 0 HZ PHE A 13 51.195 18.969 14.523 1.00 32.09 H new ATOM 80 N THR A 14 56.857 24.202 17.321 1.00 29.17 N ATOM 81 CA THR A 14 58.029 24.964 17.707 1.00 30.31 C ATOM 82 C THR A 14 57.621 25.810 18.923 1.00 29.85 C ATOM 83 O THR A 14 56.451 26.142 19.109 1.00 32.68 O ATOM 84 CB THR A 14 58.508 25.889 16.582 1.00 30.72 C ATOM 85 OG1 THR A 14 57.538 26.876 16.330 1.00 35.59 O ATOM 86 CG2 THR A 14 58.713 25.133 15.274 1.00 32.47 C ATOM 0 H THR A 14 56.123 24.648 17.366 1.00 29.17 H new ATOM 0 HA THR A 14 58.761 24.360 17.907 1.00 30.31 H new ATOM 0 HB THR A 14 59.348 26.274 16.876 1.00 30.72 H new ATOM 0 HG1 THR A 14 56.946 26.846 16.925 1.00 35.59 H new ATOM 0 HG21 THR A 14 59.015 25.749 14.588 1.00 32.47 H new ATOM 0 HG22 THR A 14 59.379 24.440 15.402 1.00 32.47 H new ATOM 0 HG23 THR A 14 57.875 24.729 14.999 1.00 32.47 H new ATOM 87 N PHE A 15 58.599 26.088 19.759 1.00 30.09 N ATOM 88 CA PHE A 15 58.354 26.826 20.976 1.00 27.98 C ATOM 89 C PHE A 15 58.957 28.216 20.880 1.00 28.74 C ATOM 90 O PHE A 15 60.066 28.389 20.362 1.00 29.38 O ATOM 91 CB PHE A 15 59.042 26.097 22.143 1.00 28.14 C ATOM 92 CG PHE A 15 58.450 24.725 22.422 1.00 30.79 C ATOM 93 CD1 PHE A 15 57.067 24.573 22.539 1.00 31.24 C ATOM 94 CD2 PHE A 15 59.290 23.624 22.654 1.00 32.30 C ATOM 95 CE1 PHE A 15 56.485 23.331 22.817 1.00 31.82 C ATOM 96 CE2 PHE A 15 58.728 22.378 22.953 1.00 35.64 C ATOM 97 CZ PHE A 15 57.318 22.240 23.018 1.00 30.32 C ATOM 0 H PHE A 15 59.418 25.856 19.639 1.00 30.09 H new ATOM 0 HA PHE A 15 57.396 26.891 21.115 1.00 27.98 H new ATOM 0 HB2 PHE A 15 59.987 26.001 21.945 1.00 28.14 H new ATOM 0 HB3 PHE A 15 58.973 26.642 22.943 1.00 28.14 H new ATOM 0 HD1 PHE A 15 56.519 25.316 22.429 1.00 31.24 H new ATOM 0 HD2 PHE A 15 60.214 23.722 22.609 1.00 32.30 H new ATOM 0 HE1 PHE A 15 55.561 23.239 22.866 1.00 31.82 H new ATOM 0 HE2 PHE A 15 59.277 21.643 23.108 1.00 35.64 H new ATOM 0 HZ PHE A 15 56.947 21.407 23.198 1.00 30.32 H new ATOM 98 N SER A 16 58.235 29.195 21.454 1.00 27.78 N ATOM 99 CA SER A 16 58.761 30.571 21.472 1.00 29.88 C ATOM 100 C SER A 16 60.075 30.681 22.204 1.00 32.25 C ATOM 101 O SER A 16 60.216 30.145 23.295 1.00 32.84 O ATOM 102 CB SER A 16 57.771 31.518 22.116 1.00 27.91 C ATOM 103 OG SER A 16 56.608 31.552 21.322 1.00 27.85 O ATOM 0 H SER A 16 57.467 29.089 21.825 1.00 27.78 H new ATOM 0 HA SER A 16 58.905 30.814 20.544 1.00 29.88 H new ATOM 0 HB2 SER A 16 57.557 31.223 23.015 1.00 27.91 H new ATOM 0 HB3 SER A 16 58.154 32.406 22.192 1.00 27.91 H new ATOM 0 HG SER A 16 56.098 30.923 21.545 1.00 27.85 H new ATOM 104 N SER A 17 61.036 31.383 21.569 1.00 34.26 N ATOM 105 CA SER A 17 62.351 31.691 22.164 1.00 37.40 C ATOM 106 C SER A 17 62.381 33.002 22.918 1.00 38.59 C ATOM 107 O SER A 17 63.341 33.285 23.614 1.00 41.28 O ATOM 108 CB SER A 17 63.448 31.721 21.083 1.00 37.26 C ATOM 109 OG SER A 17 63.019 32.280 19.843 1.00 38.27 O ATOM 0 H SER A 17 60.939 31.695 20.774 1.00 34.26 H new ATOM 0 HA SER A 17 62.518 30.979 22.801 1.00 37.40 H new ATOM 0 HB2 SER A 17 64.203 32.232 21.414 1.00 37.26 H new ATOM 0 HB3 SER A 17 63.763 30.817 20.929 1.00 37.26 H new ATOM 0 HG SER A 17 63.656 32.271 19.296 1.00 38.27 H new ATOM 110 N LYS A 18 61.379 33.842 22.711 1.00 38.70 N ATOM 111 CA LYS A 18 61.256 35.096 23.429 1.00 39.59 C ATOM 112 C LYS A 18 60.402 34.840 24.639 1.00 39.45 C ATOM 113 O LYS A 18 59.352 34.240 24.520 1.00 38.97 O ATOM 114 CB LYS A 18 60.551 36.140 22.541 1.00 39.44 C ATOM 115 CG LYS A 18 60.087 37.378 23.310 1.00 43.16 C ATOM 116 CD LYS A 18 59.817 38.563 22.412 1.00 42.88 C ATOM 117 CE LYS A 18 59.524 39.792 23.280 1.00 46.87 C ATOM 118 NZ LYS A 18 59.137 40.982 22.477 1.00 48.60 N ATOM 0 H LYS A 18 60.747 33.698 22.146 1.00 38.70 H new ATOM 0 HA LYS A 18 62.133 35.429 23.677 1.00 39.59 H new ATOM 0 HB2 LYS A 18 61.156 36.415 21.834 1.00 39.44 H new ATOM 0 HB3 LYS A 18 59.784 35.727 22.114 1.00 39.44 H new ATOM 0 HG2 LYS A 18 59.281 37.162 23.804 1.00 43.16 H new ATOM 0 HG3 LYS A 18 60.763 37.620 23.962 1.00 43.16 H new ATOM 0 HD2 LYS A 18 60.583 38.731 21.841 1.00 42.88 H new ATOM 0 HD3 LYS A 18 59.064 38.377 21.830 1.00 42.88 H new ATOM 0 HE2 LYS A 18 58.811 39.581 23.903 1.00 46.87 H new ATOM 0 HE3 LYS A 18 60.309 40.005 23.809 1.00 46.87 H new ATOM 0 HZ1 LYS A 18 58.921 41.651 23.023 1.00 48.60 H new ATOM 0 HZ2 LYS A 18 59.820 41.228 21.962 1.00 48.60 H new ATOM 0 HZ3 LYS A 18 58.438 40.780 21.965 1.00 48.60 H new ATOM 119 N LYS A 19 60.838 35.318 25.791 1.00 38.13 N ATOM 120 CA LYS A 19 60.025 35.334 26.999 1.00 37.98 C ATOM 121 C LYS A 19 59.228 36.641 26.994 1.00 37.01 C ATOM 122 O LYS A 19 59.757 37.698 27.307 1.00 38.77 O ATOM 123 CB LYS A 19 60.940 35.277 28.216 1.00 38.79 C ATOM 124 CG LYS A 19 60.291 35.550 29.559 1.00 41.12 C ATOM 125 CD LYS A 19 61.299 35.386 30.686 1.00 42.86 C ATOM 126 CE LYS A 19 60.650 35.627 32.069 1.00 42.11 C ATOM 127 NZ LYS A 19 60.306 37.068 32.193 1.00 46.25 N ATOM 0 H LYS A 19 61.625 35.648 25.898 1.00 38.13 H new ATOM 0 HA LYS A 19 59.423 34.574 27.031 1.00 37.98 H new ATOM 0 HB2 LYS A 19 61.349 34.398 28.249 1.00 38.79 H new ATOM 0 HB3 LYS A 19 61.657 35.918 28.088 1.00 38.79 H new ATOM 0 HG2 LYS A 19 59.928 36.450 29.571 1.00 41.12 H new ATOM 0 HG3 LYS A 19 59.547 34.942 29.693 1.00 41.12 H new ATOM 0 HD2 LYS A 19 61.677 34.493 30.656 1.00 42.86 H new ATOM 0 HD3 LYS A 19 62.032 36.008 30.559 1.00 42.86 H new ATOM 0 HE2 LYS A 19 59.853 35.082 32.166 1.00 42.11 H new ATOM 0 HE3 LYS A 19 61.260 35.365 32.776 1.00 42.11 H new ATOM 0 HZ1 LYS A 19 60.449 37.337 33.029 1.00 46.25 H new ATOM 0 HZ2 LYS A 19 60.814 37.544 31.638 1.00 46.25 H new ATOM 0 HZ3 LYS A 19 59.449 37.188 31.985 1.00 46.25 H new ATOM 128 N ILE A 20 57.969 36.548 26.608 1.00 34.71 N ATOM 129 CA ILE A 20 57.040 37.669 26.570 1.00 33.48 C ATOM 130 C ILE A 20 56.751 38.195 27.982 1.00 31.69 C ATOM 131 O ILE A 20 56.840 37.446 28.946 1.00 32.86 O ATOM 132 CB ILE A 20 55.707 37.154 25.890 1.00 33.93 C ATOM 133 CG1 ILE A 20 54.691 38.275 25.761 1.00 36.36 C ATOM 134 CG2 ILE A 20 55.153 35.914 26.636 1.00 36.87 C ATOM 135 CD1 ILE A 20 53.485 37.968 24.900 1.00 33.93 C ATOM 0 H ILE A 20 57.616 35.807 26.351 1.00 34.71 H new ATOM 0 HA ILE A 20 57.423 38.403 26.066 1.00 33.48 H new ATOM 0 HB ILE A 20 55.909 36.866 24.986 1.00 33.93 H new ATOM 0 HG12 ILE A 20 54.382 38.514 26.649 1.00 36.36 H new ATOM 0 HG13 ILE A 20 55.138 39.055 25.397 1.00 36.36 H new ATOM 0 HG21 ILE A 20 54.338 35.614 26.205 1.00 36.87 H new ATOM 0 HG22 ILE A 20 55.811 35.202 26.613 1.00 36.87 H new ATOM 0 HG23 ILE A 20 54.963 36.149 27.558 1.00 36.87 H new ATOM 0 HD11 ILE A 20 52.897 38.740 24.879 1.00 33.93 H new ATOM 0 HD12 ILE A 20 53.776 37.758 23.999 1.00 33.93 H new ATOM 0 HD13 ILE A 20 53.008 37.209 25.270 1.00 33.93 H new ATOM 136 N SER A 21 56.381 39.468 28.090 1.00 30.06 N ATOM 137 CA SER A 21 56.011 40.083 29.355 1.00 30.40 C ATOM 138 C SER A 21 54.774 39.350 29.912 1.00 29.92 C ATOM 139 O SER A 21 53.801 39.165 29.198 1.00 30.80 O ATOM 140 CB SER A 21 55.696 41.562 29.117 1.00 31.47 C ATOM 141 OG SER A 21 55.158 42.087 30.302 1.00 38.26 O ATOM 0 H SER A 21 56.338 40.004 27.419 1.00 30.06 H new ATOM 0 HA SER A 21 56.737 40.018 29.995 1.00 30.40 H new ATOM 0 HB2 SER A 21 56.500 42.044 28.867 1.00 31.47 H new ATOM 0 HB3 SER A 21 55.067 41.661 28.386 1.00 31.47 H new ATOM 0 HG SER A 21 55.562 42.795 30.504 1.00 38.26 H new ATOM 142 N LEU A 22 54.775 39.013 31.203 1.00 29.71 N ATOM 143 CA LEU A 22 53.611 38.355 31.786 1.00 27.25 C ATOM 144 C LEU A 22 52.399 39.264 31.750 1.00 27.67 C ATOM 145 O LEU A 22 51.267 38.805 31.585 1.00 26.76 O ATOM 146 CB LEU A 22 53.917 37.983 33.250 1.00 28.73 C ATOM 147 CG LEU A 22 52.765 37.381 34.034 1.00 29.36 C ATOM 148 CD1 LEU A 22 52.201 36.170 33.459 1.00 27.58 C ATOM 149 CD2 LEU A 22 53.221 37.109 35.462 1.00 31.31 C ATOM 0 H LEU A 22 55.426 39.154 31.747 1.00 29.71 H new ATOM 0 HA LEU A 22 53.417 37.558 31.268 1.00 27.25 H new ATOM 0 HB2 LEU A 22 54.655 37.354 33.258 1.00 28.73 H new ATOM 0 HB3 LEU A 22 54.219 38.781 33.712 1.00 28.73 H new ATOM 0 HG LEU A 22 52.050 38.036 34.007 1.00 29.36 H new ATOM 0 HD11 LEU A 22 51.475 35.853 34.019 1.00 27.58 H new ATOM 0 HD12 LEU A 22 51.864 36.361 32.570 1.00 27.58 H new ATOM 0 HD13 LEU A 22 52.888 35.487 33.404 1.00 27.58 H new ATOM 0 HD21 LEU A 22 52.488 36.724 35.968 1.00 31.31 H new ATOM 0 HD22 LEU A 22 53.967 36.489 35.451 1.00 31.31 H new ATOM 0 HD23 LEU A 22 53.498 37.941 35.877 1.00 31.31 H new ATOM 150 N GLN A 23 52.619 40.569 31.837 1.00 25.96 N ATOM 151 CA GLN A 23 51.477 41.527 31.771 1.00 26.83 C ATOM 152 C GLN A 23 50.674 41.476 30.475 1.00 26.30 C ATOM 153 O GLN A 23 49.522 41.934 30.420 1.00 29.09 O ATOM 154 CB AGLN A 23 51.918 42.943 32.066 0.65 28.09 C ATOM 155 CB BGLN A 23 51.960 42.970 31.979 0.35 26.68 C ATOM 156 CG AGLN A 23 50.758 43.840 32.511 0.65 30.85 C ATOM 157 CG BGLN A 23 53.016 43.507 30.963 0.35 24.64 C ATOM 158 CD AGLN A 23 50.104 44.647 31.389 0.65 32.98 C ATOM 159 CD BGLN A 23 52.460 44.198 29.722 0.35 21.39 C ATOM 160 OE1AGLN A 23 50.761 45.019 30.401 0.65 34.78 O ATOM 161 OE1BGLN A 23 51.333 44.688 29.704 0.35 19.56 O ATOM 162 NE2AGLN A 23 48.820 44.968 31.567 0.65 28.31 N ATOM 163 NE2BGLN A 23 53.279 44.284 28.692 0.35 18.26 N ATOM 0 H GLN A 23 53.394 40.930 31.932 1.00 25.96 H new ATOM 0 HA GLN A 23 50.871 41.229 32.468 1.00 26.83 H new ATOM 0 HB2AGLN A 23 52.596 42.929 32.759 0.65 26.68 H new ATOM 0 HB2BGLN A 23 51.187 43.555 31.951 0.35 26.68 H new ATOM 0 HB3AGLN A 23 52.330 43.322 31.274 0.65 26.68 H new ATOM 0 HB3BGLN A 23 52.335 43.038 32.871 0.35 26.68 H new ATOM 0 HG2AGLN A 23 50.081 43.287 32.931 0.65 24.64 H new ATOM 0 HG2BGLN A 23 53.596 44.131 31.426 0.35 24.64 H new ATOM 0 HG3AGLN A 23 51.082 44.455 33.188 0.65 24.64 H new ATOM 0 HG3BGLN A 23 53.570 42.764 30.677 0.35 24.64 H new ATOM 0 HE21AGLN A 23 48.400 44.691 32.264 0.65 18.26 H new ATOM 0 HE21BGLN A 23 54.062 43.931 28.735 0.35 18.26 H new ATOM 0 HE22AGLN A 23 48.413 45.452 30.984 0.65 18.26 H new ATOM 0 HE22BGLN A 23 53.030 44.693 27.978 0.35 18.26 H new ATOM 164 N ARG A 24 51.254 40.962 29.395 1.00 25.47 N ATOM 165 CA ARG A 24 50.490 40.831 28.158 1.00 25.36 C ATOM 166 C ARG A 24 49.570 39.656 28.147 1.00 26.09 C ATOM 167 O ARG A 24 48.840 39.514 27.191 1.00 26.96 O ATOM 168 CB ARG A 24 51.436 40.655 26.942 1.00 26.88 C ATOM 169 CG ARG A 24 52.061 42.009 26.651 1.00 29.37 C ATOM 170 CD ARG A 24 53.284 41.897 25.756 1.00 35.55 C ATOM 171 NE ARG A 24 52.899 41.441 24.416 1.00 34.18 N ATOM 172 CZ ARG A 24 53.778 41.171 23.462 1.00 34.41 C ATOM 173 NH1 ARG A 24 55.077 41.329 23.708 1.00 34.54 N ATOM 174 NH2 ARG A 24 53.364 40.763 22.276 1.00 38.69 N ATOM 0 H ARG A 24 52.069 40.689 29.356 1.00 25.47 H new ATOM 0 HA ARG A 24 49.970 41.648 28.102 1.00 25.36 H new ATOM 0 HB2 ARG A 24 52.122 39.997 27.136 1.00 26.88 H new ATOM 0 HB3 ARG A 24 50.944 40.333 26.170 1.00 26.88 H new ATOM 0 HG2 ARG A 24 51.403 42.582 26.227 1.00 29.37 H new ATOM 0 HG3 ARG A 24 52.311 42.434 27.486 1.00 29.37 H new ATOM 0 HD2 ARG A 24 53.728 42.758 25.696 1.00 35.55 H new ATOM 0 HD3 ARG A 24 53.920 41.276 26.145 1.00 35.55 H new ATOM 0 HE ARG A 24 52.063 41.344 24.241 1.00 34.18 H new ATOM 0 HH11 ARG A 24 55.338 41.604 24.480 1.00 34.54 H new ATOM 0 HH12 ARG A 24 55.655 41.156 23.095 1.00 34.54 H new ATOM 0 HH21 ARG A 24 52.523 40.672 22.122 1.00 38.69 H new ATOM 0 HH22 ARG A 24 53.936 40.588 21.658 1.00 38.69 H new ATOM 175 N LEU A 25 49.684 38.756 29.126 1.00 24.68 N ATOM 176 CA LEU A 25 48.967 37.480 29.037 1.00 26.36 C ATOM 177 C LEU A 25 47.630 37.431 29.783 1.00 27.59 C ATOM 178 O LEU A 25 47.489 38.035 30.868 1.00 29.27 O ATOM 179 CB LEU A 25 49.871 36.401 29.603 1.00 27.62 C ATOM 180 CG LEU A 25 51.188 36.354 28.833 1.00 25.88 C ATOM 181 CD1 LEU A 25 52.021 35.151 29.325 1.00 28.32 C ATOM 182 CD2 LEU A 25 50.954 36.179 27.342 1.00 27.43 C ATOM 0 H LEU A 25 50.160 38.860 29.835 1.00 24.68 H new ATOM 0 HA LEU A 25 48.751 37.351 28.100 1.00 26.36 H new ATOM 0 HB2 LEU A 25 50.044 36.575 30.541 1.00 27.62 H new ATOM 0 HB3 LEU A 25 49.428 35.540 29.551 1.00 27.62 H new ATOM 0 HG LEU A 25 51.651 37.192 28.986 1.00 25.88 H new ATOM 0 HD11 LEU A 25 52.859 35.117 28.838 1.00 28.32 H new ATOM 0 HD12 LEU A 25 52.202 35.248 30.273 1.00 28.32 H new ATOM 0 HD13 LEU A 25 51.526 34.331 29.173 1.00 28.32 H new ATOM 0 HD21 LEU A 25 51.807 36.153 26.881 1.00 27.43 H new ATOM 0 HD22 LEU A 25 50.476 35.350 27.184 1.00 27.43 H new ATOM 0 HD23 LEU A 25 50.429 36.923 27.007 1.00 27.43 H new ATOM 183 N LYS A 26 46.666 36.718 29.184 1.00 28.98 N ATOM 184 CA LYS A 26 45.317 36.561 29.704 1.00 30.42 C ATOM 185 C LYS A 26 45.126 35.163 30.307 1.00 29.61 C ATOM 186 O LYS A 26 44.480 34.993 31.352 1.00 29.40 O ATOM 187 CB ALYS A 26 44.315 36.719 28.528 0.65 31.56 C ATOM 188 CB BLYS A 26 44.316 36.767 28.563 0.35 31.05 C ATOM 189 CG ALYS A 26 42.896 36.290 28.810 0.65 32.63 C ATOM 190 CG BLYS A 26 42.932 37.192 28.988 0.35 32.48 C ATOM 191 CD ALYS A 26 41.972 36.895 27.754 0.65 34.00 C ATOM 192 CD BLYS A 26 42.141 37.599 27.761 0.35 33.31 C ATOM 193 CE ALYS A 26 40.491 36.650 28.070 0.65 38.69 C ATOM 194 CE BLYS A 26 42.334 36.600 26.627 0.35 33.57 C ATOM 195 NZ ALYS A 26 40.022 37.291 29.345 0.65 40.76 N ATOM 196 NZ BLYS A 26 42.309 37.223 25.270 0.35 36.02 N ATOM 0 H LYS A 26 46.792 36.303 28.441 1.00 28.98 H new ATOM 0 HA LYS A 26 45.167 37.229 30.391 1.00 30.42 H new ATOM 0 HB2ALYS A 26 44.305 37.650 28.257 0.65 31.05 H new ATOM 0 HB2BLYS A 26 44.672 37.436 27.957 0.35 31.05 H new ATOM 0 HB3ALYS A 26 44.645 36.207 27.773 0.65 31.05 H new ATOM 0 HB3BLYS A 26 44.245 35.940 28.062 0.35 31.05 H new ATOM 0 HG2ALYS A 26 42.830 35.322 28.798 0.65 32.48 H new ATOM 0 HG2BLYS A 26 42.485 36.465 29.448 0.35 32.48 H new ATOM 0 HG3ALYS A 26 42.628 36.581 29.696 0.65 32.48 H new ATOM 0 HG3BLYS A 26 42.986 37.932 29.612 0.35 32.48 H new ATOM 0 HD2ALYS A 26 42.134 37.849 27.693 0.65 33.31 H new ATOM 0 HD2BLYS A 26 41.199 37.660 27.985 0.35 33.31 H new ATOM 0 HD3ALYS A 26 42.183 36.516 26.887 0.65 33.31 H new ATOM 0 HD3BLYS A 26 42.421 38.481 27.470 0.35 33.31 H new ATOM 0 HE2ALYS A 26 39.954 36.984 27.335 0.65 33.57 H new ATOM 0 HE2BLYS A 26 43.181 36.143 26.749 0.35 33.57 H new ATOM 0 HE3ALYS A 26 40.335 35.694 28.124 0.65 33.57 H new ATOM 0 HE3BLYS A 26 41.638 35.926 26.678 0.35 33.57 H new ATOM 0 HZ1ALYS A 26 39.138 37.211 29.410 0.65 36.02 H new ATOM 0 HZ1BLYS A 26 41.941 36.657 24.690 0.35 36.02 H new ATOM 0 HZ2ALYS A 26 40.408 36.889 30.039 0.65 36.02 H new ATOM 0 HZ2BLYS A 26 41.831 37.973 25.296 0.35 36.02 H new ATOM 0 HZ3ALYS A 26 40.242 38.153 29.342 0.65 36.02 H new ATOM 0 HZ3BLYS A 26 43.140 37.411 25.014 0.35 36.02 H new ATOM 197 N SER A 27 45.689 34.142 29.673 1.00 28.28 N ATOM 198 CA SER A 27 45.375 32.783 30.079 1.00 28.37 C ATOM 199 C SER A 27 46.320 31.838 29.355 1.00 27.47 C ATOM 200 O SER A 27 47.136 32.279 28.518 1.00 27.15 O ATOM 201 CB SER A 27 43.935 32.429 29.683 1.00 29.29 C ATOM 202 OG SER A 27 43.775 32.483 28.259 1.00 32.96 O ATOM 0 H SER A 27 46.243 34.213 29.019 1.00 28.28 H new ATOM 0 HA SER A 27 45.470 32.704 31.041 1.00 28.37 H new ATOM 0 HB2 SER A 27 43.715 31.541 30.005 1.00 29.29 H new ATOM 0 HB3 SER A 27 43.317 33.045 30.106 1.00 29.29 H new ATOM 0 HG SER A 27 42.984 32.286 28.058 1.00 32.96 H new ATOM 203 N TYR A 28 46.220 30.557 29.718 1.00 27.85 N ATOM 204 CA TYR A 28 46.956 29.535 28.993 1.00 25.95 C ATOM 205 C TYR A 28 46.109 28.263 28.912 1.00 26.48 C ATOM 206 O TYR A 28 45.226 28.050 29.736 1.00 26.58 O ATOM 207 CB TYR A 28 48.312 29.213 29.640 1.00 27.10 C ATOM 208 CG TYR A 28 48.263 28.319 30.850 1.00 27.40 C ATOM 209 CD1 TYR A 28 48.401 26.943 30.712 1.00 27.37 C ATOM 210 CD2 TYR A 28 48.068 28.858 32.132 1.00 29.10 C ATOM 211 CE1 TYR A 28 48.338 26.110 31.817 1.00 28.20 C ATOM 212 CE2 TYR A 28 48.015 28.037 33.262 1.00 29.37 C ATOM 213 CZ TYR A 28 48.157 26.642 33.072 1.00 29.13 C ATOM 214 OH TYR A 28 48.136 25.791 34.165 1.00 32.69 O ATOM 0 H TYR A 28 45.739 30.268 30.370 1.00 27.85 H new ATOM 0 HA TYR A 28 47.138 29.881 28.105 1.00 25.95 H new ATOM 0 HB2 TYR A 28 48.879 28.796 28.973 1.00 27.10 H new ATOM 0 HB3 TYR A 28 48.738 30.047 29.892 1.00 27.10 H new ATOM 0 HD1 TYR A 28 48.537 26.577 29.868 1.00 27.37 H new ATOM 0 HD2 TYR A 28 47.972 29.778 32.231 1.00 29.10 H new ATOM 0 HE1 TYR A 28 48.418 25.190 31.710 1.00 28.20 H new ATOM 0 HE2 TYR A 28 47.890 28.396 34.111 1.00 29.37 H new ATOM 0 HH TYR A 28 48.020 26.238 34.866 1.00 32.69 H new ATOM 215 N VAL A 29 46.468 27.435 27.938 1.00 26.25 N ATOM 216 CA VAL A 29 45.929 26.082 27.821 1.00 26.18 C ATOM 217 C VAL A 29 47.060 25.112 27.519 1.00 25.71 C ATOM 218 O VAL A 29 48.090 25.519 26.976 1.00 28.20 O ATOM 219 CB VAL A 29 44.854 25.958 26.752 1.00 28.32 C ATOM 220 CG1 VAL A 29 43.745 26.845 27.085 1.00 33.47 C ATOM 221 CG2 VAL A 29 45.418 26.272 25.296 1.00 28.44 C ATOM 0 H VAL A 29 47.033 27.641 27.323 1.00 26.25 H new ATOM 0 HA VAL A 29 45.510 25.869 28.669 1.00 26.18 H new ATOM 0 HB VAL A 29 44.543 25.039 26.734 1.00 28.32 H new ATOM 0 HG11 VAL A 29 43.056 26.770 26.407 1.00 33.47 H new ATOM 0 HG12 VAL A 29 43.378 26.595 27.947 1.00 33.47 H new ATOM 0 HG13 VAL A 29 44.063 27.761 27.123 1.00 33.47 H new ATOM 0 HG21 VAL A 29 44.704 26.182 24.646 1.00 28.44 H new ATOM 0 HG22 VAL A 29 45.765 27.177 25.272 1.00 28.44 H new ATOM 0 HG23 VAL A 29 46.129 25.648 25.083 1.00 28.44 H new ATOM 222 N ILE A 30 46.877 23.833 27.860 1.00 26.27 N ATOM 223 CA ILE A 30 47.829 22.820 27.376 1.00 26.38 C ATOM 224 C ILE A 30 47.184 22.222 26.099 1.00 28.76 C ATOM 225 O ILE A 30 45.947 22.032 26.076 1.00 28.53 O ATOM 226 CB ILE A 30 47.962 21.722 28.447 1.00 26.79 C ATOM 227 CG1 ILE A 30 48.463 22.331 29.769 1.00 28.72 C ATOM 228 CG2 ILE A 30 48.851 20.597 27.905 1.00 27.24 C ATOM 229 CD1 ILE A 30 49.742 23.064 29.618 1.00 34.35 C ATOM 0 H ILE A 30 46.236 23.537 28.351 1.00 26.27 H new ATOM 0 HA ILE A 30 48.707 23.189 27.195 1.00 26.38 H new ATOM 0 HB ILE A 30 47.099 21.327 28.648 1.00 26.79 H new ATOM 0 HG12 ILE A 30 47.789 22.935 30.118 1.00 28.72 H new ATOM 0 HG13 ILE A 30 48.576 21.624 30.423 1.00 28.72 H new ATOM 0 HG21 ILE A 30 48.939 19.902 28.576 1.00 27.24 H new ATOM 0 HG22 ILE A 30 48.450 20.224 27.104 1.00 27.24 H new ATOM 0 HG23 ILE A 30 49.728 20.952 27.691 1.00 27.24 H new ATOM 0 HD11 ILE A 30 50.011 23.426 30.477 1.00 34.35 H new ATOM 0 HD12 ILE A 30 50.426 22.458 29.294 1.00 34.35 H new ATOM 0 HD13 ILE A 30 49.627 23.789 28.984 1.00 34.35 H new ATOM 230 N THR A 31 47.979 21.953 25.062 1.00 26.77 N ATOM 231 CA THR A 31 47.409 21.421 23.820 1.00 27.18 C ATOM 232 C THR A 31 46.692 20.101 24.021 1.00 27.77 C ATOM 233 O THR A 31 47.009 19.310 24.976 1.00 28.08 O ATOM 234 CB THR A 31 48.476 21.315 22.746 1.00 26.91 C ATOM 235 OG1 THR A 31 49.643 20.680 23.289 1.00 29.54 O ATOM 236 CG2 THR A 31 48.793 22.801 22.331 1.00 29.54 C ATOM 0 H THR A 31 48.831 22.068 25.054 1.00 26.77 H new ATOM 0 HA THR A 31 46.734 22.052 23.523 1.00 27.18 H new ATOM 0 HB THR A 31 48.188 20.787 21.985 1.00 26.91 H new ATOM 0 HG1 THR A 31 49.465 19.881 23.478 1.00 29.54 H new ATOM 0 HG21 THR A 31 49.474 22.806 21.641 1.00 29.54 H new ATOM 0 HG22 THR A 31 47.987 23.222 21.992 1.00 29.54 H new ATOM 0 HG23 THR A 31 49.113 23.292 23.104 1.00 29.54 H new ATOM 237 N THR A 32 45.741 19.849 23.132 1.00 27.37 N ATOM 238 CA THR A 32 45.079 18.548 23.137 1.00 29.07 C ATOM 239 C THR A 32 46.048 17.382 23.223 1.00 29.07 C ATOM 240 O THR A 32 47.157 17.363 22.627 1.00 30.17 O ATOM 241 CB THR A 32 44.183 18.385 21.913 1.00 28.81 C ATOM 242 OG1 THR A 32 43.598 17.082 21.957 1.00 30.73 O ATOM 243 CG2 THR A 32 44.984 18.475 20.644 1.00 29.24 C ATOM 0 H THR A 32 45.468 20.400 22.531 1.00 27.37 H new ATOM 0 HA THR A 32 44.537 18.530 23.941 1.00 29.07 H new ATOM 0 HB THR A 32 43.514 19.087 21.923 1.00 28.81 H new ATOM 0 HG1 THR A 32 42.999 17.024 21.371 1.00 30.73 H new ATOM 0 HG21 THR A 32 44.395 18.369 19.881 1.00 29.24 H new ATOM 0 HG22 THR A 32 45.420 19.340 20.597 1.00 29.24 H new ATOM 0 HG23 THR A 32 45.655 17.774 20.634 1.00 29.24 H new ATOM 244 N SER A 33 45.612 16.316 23.903 1.00 31.75 N ATOM 245 CA SER A 33 46.466 15.154 24.022 1.00 31.69 C ATOM 246 C SER A 33 46.790 14.449 22.685 1.00 32.58 C ATOM 247 O SER A 33 47.710 13.656 22.614 1.00 32.83 O ATOM 248 CB SER A 33 45.882 14.166 25.044 1.00 32.89 C ATOM 249 OG SER A 33 44.619 13.748 24.620 1.00 34.91 O ATOM 0 H SER A 33 44.846 16.254 24.289 1.00 31.75 H new ATOM 0 HA SER A 33 47.320 15.486 24.339 1.00 31.69 H new ATOM 0 HB2 SER A 33 46.470 13.401 25.141 1.00 32.89 H new ATOM 0 HB3 SER A 33 45.818 14.587 25.915 1.00 32.89 H new ATOM 0 HG SER A 33 44.301 13.207 25.178 1.00 34.91 H new ATOM 250 N ARG A 34 46.048 14.776 21.640 1.00 32.09 N ATOM 251 CA ARG A 34 46.287 14.222 20.315 1.00 32.21 C ATOM 252 C ARG A 34 47.584 14.734 19.630 1.00 31.68 C ATOM 253 O ARG A 34 48.110 14.101 18.687 1.00 30.02 O ATOM 254 CB AARG A 34 45.126 14.683 19.398 0.65 32.67 C ATOM 255 CB BARG A 34 45.058 14.318 19.419 0.35 32.71 C ATOM 256 CG AARG A 34 43.653 14.407 19.828 0.65 33.31 C ATOM 257 CG BARG A 34 43.938 13.390 19.873 0.35 33.28 C ATOM 258 CD AARG A 34 42.769 14.768 18.657 0.65 33.28 C ATOM 259 CD BARG A 34 43.174 12.875 18.707 0.35 35.27 C ATOM 260 NE AARG A 34 41.330 14.694 18.885 0.65 33.94 N ATOM 261 NE BARG A 34 43.777 11.646 18.173 0.35 35.57 N ATOM 262 CZ AARG A 34 40.577 13.620 18.704 0.65 36.43 C ATOM 263 CZ BARG A 34 43.296 10.951 17.152 0.35 37.46 C ATOM 264 NH1AARG A 34 41.091 12.454 18.305 0.65 36.58 N ATOM 265 NH1BARG A 34 42.195 11.344 16.525 0.35 39.06 N ATOM 266 NH2AARG A 34 39.282 13.712 18.939 0.65 36.18 N ATOM 267 NH2BARG A 34 43.912 9.846 16.757 0.35 37.76 N ATOM 0 H ARG A 34 45.389 15.327 21.677 1.00 32.09 H new ATOM 0 HA ARG A 34 46.362 13.262 20.432 1.00 32.21 H new ATOM 0 HB2AARG A 34 45.218 15.640 19.272 0.65 32.71 H new ATOM 0 HB2BARG A 34 44.735 15.233 19.413 0.35 32.71 H new ATOM 0 HB3AARG A 34 45.258 14.269 18.531 0.65 32.71 H new ATOM 0 HB3BARG A 34 45.307 14.099 18.507 0.35 32.71 H new ATOM 0 HG2AARG A 34 43.536 13.475 20.070 0.65 33.28 H new ATOM 0 HG2BARG A 34 44.310 12.648 20.374 0.35 33.28 H new ATOM 0 HG3AARG A 34 43.420 14.934 20.608 0.65 33.28 H new ATOM 0 HG3BARG A 34 43.341 13.865 20.472 0.35 33.28 H new ATOM 0 HD2AARG A 34 42.987 15.671 18.378 0.65 35.27 H new ATOM 0 HD2BARG A 34 42.257 12.700 18.971 0.35 35.27 H new ATOM 0 HD3AARG A 34 42.990 14.182 17.917 0.65 35.27 H new ATOM 0 HD3BARG A 34 43.145 13.552 18.012 0.35 35.27 H new ATOM 0 HE AARG A 34 40.938 15.408 19.160 0.65 35.57 H new ATOM 0 HE BARG A 34 44.494 11.357 18.550 0.35 35.57 H new ATOM 0 HH11AARG A 34 41.935 12.384 18.157 0.65 39.06 H new ATOM 0 HH11BARG A 34 41.786 12.056 16.780 0.35 39.06 H new ATOM 0 HH12AARG A 34 40.578 11.773 18.196 0.65 39.06 H new ATOM 0 HH12BARG A 34 41.890 10.887 15.863 0.35 39.06 H new ATOM 0 HH21AARG A 34 38.945 14.458 19.203 0.65 37.76 H new ATOM 0 HH21BARG A 34 44.622 9.581 17.163 0.35 37.76 H new ATOM 0 HH22AARG A 34 38.775 13.026 18.828 0.65 37.76 H new ATOM 0 HH22BARG A 34 43.601 9.394 16.095 0.35 37.76 H new ATOM 268 N CYS A 35 48.083 15.886 20.070 1.00 30.67 N ATOM 269 CA CYS A 35 49.247 16.502 19.423 1.00 30.61 C ATOM 270 C CYS A 35 50.455 15.633 19.697 1.00 32.68 C ATOM 271 O CYS A 35 50.559 15.049 20.786 1.00 33.64 O ATOM 272 CB CYS A 35 49.521 17.892 20.010 1.00 31.40 C ATOM 273 SG CYS A 35 48.240 19.098 19.617 1.00 33.27 S ATOM 0 H CYS A 35 47.767 16.327 20.737 1.00 30.67 H new ATOM 0 HA CYS A 35 49.073 16.585 18.472 1.00 30.61 H new ATOM 0 HB2 CYS A 35 49.603 17.819 20.974 1.00 31.40 H new ATOM 0 HB3 CYS A 35 50.373 18.215 19.677 1.00 31.40 H new ATOM 274 N PRO A 36 51.376 15.566 18.730 1.00 32.51 N ATOM 275 CA PRO A 36 52.602 14.792 18.922 1.00 32.94 C ATOM 276 C PRO A 36 53.447 15.246 20.122 1.00 34.07 C ATOM 277 O PRO A 36 54.105 14.405 20.732 1.00 33.77 O ATOM 278 CB PRO A 36 53.374 15.058 17.637 1.00 33.40 C ATOM 279 CG PRO A 36 52.354 15.451 16.621 1.00 33.01 C ATOM 280 CD PRO A 36 51.329 16.195 17.392 1.00 33.65 C ATOM 0 HA PRO A 36 52.398 13.861 19.103 1.00 32.94 H new ATOM 0 HB2 PRO A 36 54.028 15.763 17.764 1.00 33.40 H new ATOM 0 HB3 PRO A 36 53.860 14.268 17.354 1.00 33.40 H new ATOM 0 HG2 PRO A 36 52.743 16.004 15.926 1.00 33.01 H new ATOM 0 HG3 PRO A 36 51.972 14.673 16.185 1.00 33.01 H new ATOM 0 HD2 PRO A 36 51.533 17.142 17.436 1.00 33.65 H new ATOM 0 HD3 PRO A 36 50.450 16.113 16.990 1.00 33.65 H new ATOM 281 N GLN A 37 53.478 16.546 20.435 1.00 34.51 N ATOM 282 CA GLN A 37 54.265 17.021 21.562 1.00 37.44 C ATOM 283 C GLN A 37 53.387 17.926 22.432 1.00 34.32 C ATOM 284 O GLN A 37 52.540 18.663 21.909 1.00 36.03 O ATOM 285 CB GLN A 37 55.481 17.784 21.048 1.00 37.73 C ATOM 286 CG GLN A 37 56.864 17.067 21.175 1.00 44.27 C ATOM 287 CD GLN A 37 58.013 18.104 21.146 1.00 43.85 C ATOM 288 OE1 GLN A 37 57.979 19.047 20.347 1.00 52.03 O ATOM 289 NE2 GLN A 37 58.983 17.967 22.058 1.00 50.12 N ATOM 0 H GLN A 37 53.052 17.159 20.008 1.00 34.51 H new ATOM 0 HA GLN A 37 54.575 16.272 22.095 1.00 37.44 H new ATOM 0 HB2 GLN A 37 55.334 17.994 20.113 1.00 37.73 H new ATOM 0 HB3 GLN A 37 55.532 18.628 21.524 1.00 37.73 H new ATOM 0 HG2 GLN A 37 56.898 16.561 22.002 1.00 44.27 H new ATOM 0 HG3 GLN A 37 56.974 16.433 20.449 1.00 44.27 H new ATOM 0 HE21 GLN A 37 58.974 17.298 22.598 1.00 50.12 H new ATOM 0 HE22 GLN A 37 59.615 18.548 22.104 1.00 50.12 H new ATOM 290 N LYS A 38 53.533 17.792 23.742 1.00 32.51 N ATOM 291 CA LYS A 38 52.836 18.658 24.699 1.00 31.22 C ATOM 292 C LYS A 38 53.379 20.106 24.611 1.00 29.08 C ATOM 293 O LYS A 38 54.600 20.325 24.559 1.00 29.30 O ATOM 294 CB LYS A 38 52.998 18.132 26.119 1.00 31.76 C ATOM 295 CG LYS A 38 52.228 18.912 27.159 1.00 37.04 C ATOM 296 CD LYS A 38 52.390 18.336 28.548 1.00 42.48 C ATOM 297 CE LYS A 38 51.820 19.300 29.592 1.00 47.62 C ATOM 298 NZ LYS A 38 51.979 18.722 30.969 1.00 51.10 N ATOM 0 H LYS A 38 54.037 17.199 24.107 1.00 32.51 H new ATOM 0 HA LYS A 38 51.893 18.659 24.473 1.00 31.22 H new ATOM 0 HB2 LYS A 38 52.710 17.206 26.145 1.00 31.76 H new ATOM 0 HB3 LYS A 38 53.940 18.143 26.352 1.00 31.76 H new ATOM 0 HG2 LYS A 38 52.529 19.834 27.157 1.00 37.04 H new ATOM 0 HG3 LYS A 38 51.287 18.920 26.923 1.00 37.04 H new ATOM 0 HD2 LYS A 38 51.935 17.481 28.606 1.00 42.48 H new ATOM 0 HD3 LYS A 38 53.329 18.171 28.729 1.00 42.48 H new ATOM 0 HE2 LYS A 38 52.276 20.154 29.537 1.00 47.62 H new ATOM 0 HE3 LYS A 38 50.882 19.467 29.410 1.00 47.62 H new ATOM 0 HZ1 LYS A 38 51.645 19.288 31.569 1.00 51.10 H new ATOM 0 HZ2 LYS A 38 51.543 17.947 31.018 1.00 51.10 H new ATOM 0 HZ3 LYS A 38 52.843 18.587 31.137 1.00 51.10 H new ATOM 299 N ALA A 39 52.455 21.071 24.658 1.00 28.84 N ATOM 300 CA ALA A 39 52.858 22.443 24.610 1.00 26.55 C ATOM 301 C ALA A 39 51.894 23.259 25.382 1.00 26.97 C ATOM 302 O ALA A 39 50.777 22.824 25.631 1.00 26.93 O ATOM 303 CB ALA A 39 52.852 22.988 23.179 1.00 29.05 C ATOM 0 H ALA A 39 51.607 20.939 24.717 1.00 28.84 H new ATOM 0 HA ALA A 39 53.756 22.493 24.974 1.00 26.55 H new ATOM 0 HB1 ALA A 39 53.130 23.917 23.185 1.00 29.05 H new ATOM 0 HB2 ALA A 39 53.465 22.472 22.633 1.00 29.05 H new ATOM 0 HB3 ALA A 39 51.957 22.921 22.811 1.00 29.05 H new ATOM 304 N VAL A 40 52.387 24.407 25.811 1.00 24.67 N ATOM 305 CA VAL A 40 51.523 25.426 26.432 1.00 26.12 C ATOM 306 C VAL A 40 51.184 26.430 25.349 1.00 26.76 C ATOM 307 O VAL A 40 52.075 26.830 24.572 1.00 28.19 O ATOM 308 CB VAL A 40 52.300 26.124 27.586 1.00 25.89 C ATOM 309 CG1 VAL A 40 51.415 27.211 28.194 1.00 28.02 C ATOM 310 CG2 VAL A 40 52.660 25.111 28.681 1.00 30.45 C ATOM 0 H VAL A 40 53.217 24.626 25.757 1.00 24.67 H new ATOM 0 HA VAL A 40 50.717 25.034 26.801 1.00 26.12 H new ATOM 0 HB VAL A 40 53.116 26.508 27.228 1.00 25.89 H new ATOM 0 HG11 VAL A 40 51.892 27.651 28.915 1.00 28.02 H new ATOM 0 HG12 VAL A 40 51.187 27.862 27.512 1.00 28.02 H new ATOM 0 HG13 VAL A 40 50.603 26.810 28.542 1.00 28.02 H new ATOM 0 HG21 VAL A 40 53.143 25.561 29.392 1.00 30.45 H new ATOM 0 HG22 VAL A 40 51.848 24.720 29.040 1.00 30.45 H new ATOM 0 HG23 VAL A 40 53.217 24.411 28.305 1.00 30.45 H new ATOM 311 N ILE A 41 49.935 26.874 25.262 1.00 26.07 N ATOM 312 CA ILE A 41 49.633 28.023 24.396 1.00 26.74 C ATOM 313 C ILE A 41 49.162 29.149 25.322 1.00 27.16 C ATOM 314 O ILE A 41 48.189 28.967 26.094 1.00 26.18 O ATOM 315 CB ILE A 41 48.561 27.715 23.365 1.00 25.87 C ATOM 316 CG1 ILE A 41 49.056 26.657 22.382 1.00 27.70 C ATOM 317 CG2 ILE A 41 48.112 28.995 22.646 1.00 27.98 C ATOM 318 CD1 ILE A 41 47.946 26.091 21.454 1.00 30.22 C ATOM 0 H ILE A 41 49.262 26.540 25.680 1.00 26.07 H new ATOM 0 HA ILE A 41 50.425 28.267 23.892 1.00 26.74 H new ATOM 0 HB ILE A 41 47.785 27.354 23.821 1.00 25.87 H new ATOM 0 HG12 ILE A 41 49.759 27.041 21.834 1.00 27.70 H new ATOM 0 HG13 ILE A 41 49.453 25.925 22.880 1.00 27.70 H new ATOM 0 HG21 ILE A 41 47.429 28.777 21.993 1.00 27.98 H new ATOM 0 HG22 ILE A 41 47.752 29.621 23.294 1.00 27.98 H new ATOM 0 HG23 ILE A 41 48.872 29.397 22.196 1.00 27.98 H new ATOM 0 HD11 ILE A 41 48.329 25.428 20.859 1.00 30.22 H new ATOM 0 HD12 ILE A 41 47.252 25.680 21.993 1.00 30.22 H new ATOM 0 HD13 ILE A 41 47.563 26.812 20.930 1.00 30.22 H new ATOM 319 N PHE A 42 49.926 30.238 25.351 1.00 26.40 N ATOM 320 CA PHE A 42 49.489 31.414 26.041 1.00 25.27 C ATOM 321 C PHE A 42 48.565 32.227 25.152 1.00 27.00 C ATOM 322 O PHE A 42 48.828 32.364 23.951 1.00 28.54 O ATOM 323 CB PHE A 42 50.713 32.264 26.427 1.00 25.48 C ATOM 324 CG PHE A 42 51.517 31.679 27.570 1.00 24.23 C ATOM 325 CD1 PHE A 42 50.956 31.516 28.866 1.00 23.45 C ATOM 326 CD2 PHE A 42 52.812 31.264 27.327 1.00 28.19 C ATOM 327 CE1 PHE A 42 51.709 30.934 29.892 1.00 25.80 C ATOM 328 CE2 PHE A 42 53.592 30.710 28.341 1.00 29.72 C ATOM 329 CZ PHE A 42 53.024 30.518 29.636 1.00 27.83 C ATOM 0 H PHE A 42 50.696 30.303 24.975 1.00 26.40 H new ATOM 0 HA PHE A 42 49.007 31.153 26.841 1.00 25.27 H new ATOM 0 HB2 PHE A 42 51.288 32.361 25.652 1.00 25.48 H new ATOM 0 HB3 PHE A 42 50.416 33.154 26.672 1.00 25.48 H new ATOM 0 HD1 PHE A 42 50.085 31.797 29.033 1.00 23.45 H new ATOM 0 HD2 PHE A 42 53.169 31.356 26.473 1.00 28.19 H new ATOM 0 HE1 PHE A 42 51.340 30.824 30.738 1.00 25.80 H new ATOM 0 HE2 PHE A 42 54.474 30.468 28.175 1.00 29.72 H new ATOM 0 HZ PHE A 42 53.525 30.118 30.309 1.00 27.83 H new ATOM 330 N ARG A 43 47.508 32.801 25.750 1.00 26.79 N ATOM 331 CA ARG A 43 46.665 33.720 24.982 1.00 28.06 C ATOM 332 C ARG A 43 46.918 35.124 25.525 1.00 27.01 C ATOM 333 O ARG A 43 46.834 35.349 26.757 1.00 27.44 O ATOM 334 CB ARG A 43 45.241 33.332 25.190 1.00 28.87 C ATOM 335 CG ARG A 43 44.289 34.342 24.470 1.00 34.22 C ATOM 336 CD ARG A 43 42.886 33.811 24.167 1.00 39.80 C ATOM 337 NE ARG A 43 42.325 34.461 22.964 1.00 46.56 N ATOM 338 CZ ARG A 43 42.361 33.980 21.709 1.00 46.51 C ATOM 339 NH1 ARG A 43 42.898 32.799 21.405 1.00 53.25 N ATOM 340 NH2 ARG A 43 41.813 34.689 20.719 1.00 53.53 N ATOM 0 H ARG A 43 47.272 32.676 26.567 1.00 26.79 H new ATOM 0 HA ARG A 43 46.864 33.690 24.033 1.00 28.06 H new ATOM 0 HB2 ARG A 43 45.090 32.437 24.848 1.00 28.87 H new ATOM 0 HB3 ARG A 43 45.041 33.310 26.139 1.00 28.87 H new ATOM 0 HG2 ARG A 43 44.207 35.136 25.021 1.00 34.22 H new ATOM 0 HG3 ARG A 43 44.703 34.616 23.637 1.00 34.22 H new ATOM 0 HD2 ARG A 43 42.921 32.851 24.034 1.00 39.80 H new ATOM 0 HD3 ARG A 43 42.304 33.971 24.927 1.00 39.80 H new ATOM 0 HE ARG A 43 41.938 35.221 23.078 1.00 46.56 H new ATOM 0 HH11 ARG A 43 43.241 32.310 22.024 1.00 53.25 H new ATOM 0 HH12 ARG A 43 42.902 32.526 20.590 1.00 53.25 H new ATOM 0 HH21 ARG A 43 41.441 35.446 20.887 1.00 53.53 H new ATOM 0 HH22 ARG A 43 41.832 34.388 19.913 1.00 53.53 H new ATOM 341 N THR A 44 47.271 36.072 24.645 1.00 27.42 N ATOM 342 CA THR A 44 47.547 37.415 25.139 1.00 26.74 C ATOM 343 C THR A 44 46.210 38.171 25.254 1.00 25.64 C ATOM 344 O THR A 44 45.207 37.764 24.641 1.00 26.78 O ATOM 345 CB THR A 44 48.476 38.239 24.167 1.00 28.60 C ATOM 346 OG1 THR A 44 47.732 38.626 23.001 1.00 28.40 O ATOM 347 CG2 THR A 44 49.716 37.406 23.713 1.00 28.57 C ATOM 0 H THR A 44 47.352 35.961 23.796 1.00 27.42 H new ATOM 0 HA THR A 44 48.001 37.326 25.992 1.00 26.74 H new ATOM 0 HB THR A 44 48.787 39.021 24.650 1.00 28.60 H new ATOM 0 HG1 THR A 44 48.082 39.309 22.659 1.00 28.40 H new ATOM 0 HG21 THR A 44 50.265 37.940 23.118 1.00 28.57 H new ATOM 0 HG22 THR A 44 50.237 37.151 24.490 1.00 28.57 H new ATOM 0 HG23 THR A 44 49.418 36.609 23.248 1.00 28.57 H new ATOM 348 N LYS A 45 46.205 39.278 26.002 1.00 24.19 N ATOM 349 CA LYS A 45 45.018 40.110 26.176 1.00 25.82 C ATOM 350 C LYS A 45 44.539 40.643 24.844 1.00 26.95 C ATOM 351 O LYS A 45 43.359 41.047 24.729 1.00 28.53 O ATOM 352 CB LYS A 45 45.319 41.256 27.124 1.00 25.99 C ATOM 353 CG LYS A 45 45.503 40.795 28.552 1.00 24.95 C ATOM 354 CD LYS A 45 46.059 41.920 29.433 1.00 27.49 C ATOM 355 CE LYS A 45 46.294 41.364 30.836 1.00 30.98 C ATOM 356 NZ LYS A 45 46.947 42.465 31.569 1.00 31.03 N ATOM 0 H LYS A 45 46.897 39.566 26.424 1.00 24.19 H new ATOM 0 HA LYS A 45 44.313 39.564 26.557 1.00 25.82 H new ATOM 0 HB2 LYS A 45 46.122 41.713 26.829 1.00 25.99 H new ATOM 0 HB3 LYS A 45 44.596 41.901 27.086 1.00 25.99 H new ATOM 0 HG2 LYS A 45 44.653 40.492 28.908 1.00 24.95 H new ATOM 0 HG3 LYS A 45 46.106 40.036 28.574 1.00 24.95 H new ATOM 0 HD2 LYS A 45 46.888 42.261 29.062 1.00 27.49 H new ATOM 0 HD3 LYS A 45 45.436 42.663 29.465 1.00 27.49 H new ATOM 0 HE2 LYS A 45 45.459 41.106 31.257 1.00 30.98 H new ATOM 0 HE3 LYS A 45 46.856 40.574 30.813 1.00 30.98 H new ATOM 0 HZ1 LYS A 45 46.856 42.334 32.445 1.00 31.03 H new ATOM 0 HZ2 LYS A 45 47.812 42.488 31.361 1.00 31.03 H new ATOM 0 HZ3 LYS A 45 46.568 43.238 31.344 1.00 31.03 H new ATOM 357 N LEU A 46 45.435 40.716 23.859 1.00 25.52 N ATOM 358 CA LEU A 46 44.975 41.189 22.543 1.00 25.12 C ATOM 359 C LEU A 46 44.562 40.035 21.614 1.00 27.30 C ATOM 360 O LEU A 46 44.143 40.285 20.496 1.00 28.78 O ATOM 361 CB LEU A 46 46.011 42.036 21.867 1.00 26.47 C ATOM 362 CG LEU A 46 46.405 43.297 22.680 1.00 25.48 C ATOM 363 CD1 LEU A 46 47.305 44.119 21.850 1.00 28.63 C ATOM 364 CD2 LEU A 46 45.160 44.135 23.180 1.00 25.75 C ATOM 0 H LEU A 46 46.268 40.511 23.919 1.00 25.52 H new ATOM 0 HA LEU A 46 44.189 41.731 22.715 1.00 25.12 H new ATOM 0 HB2 LEU A 46 46.804 41.500 21.710 1.00 26.47 H new ATOM 0 HB3 LEU A 46 45.678 42.311 20.999 1.00 26.47 H new ATOM 0 HG LEU A 46 46.857 43.009 23.489 1.00 25.48 H new ATOM 0 HD11 LEU A 46 47.563 44.914 22.342 1.00 28.63 H new ATOM 0 HD12 LEU A 46 48.097 43.606 21.626 1.00 28.63 H new ATOM 0 HD13 LEU A 46 46.847 44.378 21.035 1.00 28.63 H new ATOM 0 HD21 LEU A 46 45.469 44.907 23.680 1.00 25.75 H new ATOM 0 HD22 LEU A 46 44.641 44.431 22.416 1.00 25.75 H new ATOM 0 HD23 LEU A 46 44.605 43.581 23.752 1.00 25.75 H new ATOM 365 N GLY A 47 44.651 38.816 22.094 1.00 28.43 N ATOM 366 CA GLY A 47 44.099 37.669 21.336 1.00 30.49 C ATOM 367 C GLY A 47 45.137 36.825 20.620 1.00 31.96 C ATOM 368 O GLY A 47 44.761 35.844 19.977 1.00 33.77 O ATOM 0 H GLY A 47 45.018 38.613 22.845 1.00 28.43 H new ATOM 0 HA2 GLY A 47 43.604 37.101 21.947 1.00 30.49 H new ATOM 0 HA3 GLY A 47 43.465 38.004 20.683 1.00 30.49 H new ATOM 369 N LYS A 48 46.427 37.136 20.752 1.00 30.40 N ATOM 370 CA LYS A 48 47.464 36.391 19.980 1.00 30.25 C ATOM 371 C LYS A 48 47.623 35.043 20.731 1.00 30.78 C ATOM 372 O LYS A 48 47.483 35.022 21.945 1.00 32.26 O ATOM 373 CB LYS A 48 48.810 37.180 19.964 1.00 30.91 C ATOM 374 CG LYS A 48 50.025 36.484 19.250 1.00 32.65 C ATOM 375 CD LYS A 48 51.328 37.371 19.253 1.00 33.97 C ATOM 376 CE LYS A 48 51.315 38.420 18.162 1.00 39.71 C ATOM 377 NZ LYS A 48 52.570 39.228 18.193 1.00 33.91 N ATOM 0 H LYS A 48 46.730 37.756 21.265 1.00 30.40 H new ATOM 0 HA LYS A 48 47.211 36.264 19.052 1.00 30.25 H new ATOM 0 HB2 LYS A 48 48.655 38.035 19.534 1.00 30.91 H new ATOM 0 HB3 LYS A 48 49.063 37.366 20.882 1.00 30.91 H new ATOM 0 HG2 LYS A 48 50.213 35.640 19.690 1.00 32.65 H new ATOM 0 HG3 LYS A 48 49.781 36.278 18.334 1.00 32.65 H new ATOM 0 HD2 LYS A 48 51.418 37.806 20.115 1.00 33.97 H new ATOM 0 HD3 LYS A 48 52.105 36.801 19.141 1.00 33.97 H new ATOM 0 HE2 LYS A 48 51.221 37.992 17.296 1.00 39.71 H new ATOM 0 HE3 LYS A 48 50.547 39.002 18.275 1.00 39.71 H new ATOM 0 HZ1 LYS A 48 52.443 39.991 17.753 1.00 33.91 H new ATOM 0 HZ2 LYS A 48 52.788 39.405 19.037 1.00 33.91 H new ATOM 0 HZ3 LYS A 48 53.228 38.770 17.807 1.00 33.91 H new ATOM 378 N GLU A 49 47.946 33.969 20.021 1.00 30.08 N ATOM 379 CA GLU A 49 48.274 32.680 20.669 1.00 28.89 C ATOM 380 C GLU A 49 49.768 32.463 20.514 1.00 29.51 C ATOM 381 O GLU A 49 50.271 32.590 19.377 1.00 29.66 O ATOM 382 CB GLU A 49 47.525 31.527 19.969 1.00 31.03 C ATOM 383 CG GLU A 49 46.020 31.611 20.117 1.00 33.79 C ATOM 384 CD GLU A 49 45.280 30.566 19.233 1.00 37.08 C ATOM 385 OE1 GLU A 49 45.918 29.646 18.666 1.00 48.58 O ATOM 386 OE2 GLU A 49 44.050 30.667 19.174 1.00 47.44 O ATOM 0 H GLU A 49 47.984 33.955 19.162 1.00 30.08 H new ATOM 0 HA GLU A 49 48.013 32.698 21.603 1.00 28.89 H new ATOM 0 HB2 GLU A 49 47.751 31.529 19.026 1.00 31.03 H new ATOM 0 HB3 GLU A 49 47.833 30.682 20.333 1.00 31.03 H new ATOM 0 HG2 GLU A 49 45.780 31.473 21.047 1.00 33.79 H new ATOM 0 HG3 GLU A 49 45.723 32.503 19.877 1.00 33.79 H new ATOM 387 N ILE A 50 50.447 32.125 21.630 1.00 25.45 N ATOM 388 CA ILE A 50 51.903 31.947 21.626 1.00 27.58 C ATOM 389 C ILE A 50 52.235 30.523 22.123 1.00 26.40 C ATOM 390 O ILE A 50 51.776 30.153 23.204 1.00 28.71 O ATOM 391 CB ILE A 50 52.503 33.002 22.573 1.00 29.51 C ATOM 392 CG1 ILE A 50 52.224 34.391 21.934 1.00 32.97 C ATOM 393 CG2 ILE A 50 54.025 32.782 22.817 1.00 32.82 C ATOM 394 CD1 ILE A 50 52.517 35.477 22.928 1.00 37.81 C ATOM 0 H ILE A 50 50.077 31.996 22.395 1.00 25.45 H new ATOM 0 HA ILE A 50 52.271 32.056 20.735 1.00 27.58 H new ATOM 0 HB ILE A 50 52.092 32.934 23.449 1.00 29.51 H new ATOM 0 HG12 ILE A 50 52.773 34.508 21.143 1.00 32.97 H new ATOM 0 HG13 ILE A 50 51.299 34.444 21.648 1.00 32.97 H new ATOM 0 HG21 ILE A 50 54.359 33.467 23.417 1.00 32.82 H new ATOM 0 HG22 ILE A 50 54.166 31.908 23.214 1.00 32.82 H new ATOM 0 HG23 ILE A 50 54.499 32.833 21.972 1.00 32.82 H new ATOM 0 HD11 ILE A 50 52.341 36.341 22.524 1.00 37.81 H new ATOM 0 HD12 ILE A 50 51.951 35.364 23.708 1.00 37.81 H new ATOM 0 HD13 ILE A 50 53.448 35.429 23.195 1.00 37.81 H new ATOM 395 N CYS A 51 53.046 29.798 21.355 1.00 25.85 N ATOM 396 CA CYS A 51 53.497 28.455 21.746 1.00 26.62 C ATOM 397 C CYS A 51 54.655 28.565 22.730 1.00 25.33 C ATOM 398 O CYS A 51 55.594 29.385 22.516 1.00 25.95 O ATOM 399 CB CYS A 51 54.021 27.701 20.511 1.00 28.44 C ATOM 400 SG CYS A 51 52.654 27.166 19.430 1.00 36.28 S ATOM 0 H CYS A 51 53.351 30.065 20.597 1.00 25.85 H new ATOM 0 HA CYS A 51 52.747 27.986 22.145 1.00 26.62 H new ATOM 0 HB2 CYS A 51 54.625 28.273 20.012 1.00 28.44 H new ATOM 0 HB3 CYS A 51 54.533 26.928 20.795 1.00 28.44 H new ATOM 401 N ALA A 52 54.663 27.717 23.764 1.00 24.56 N ATOM 402 CA ALA A 52 55.760 27.757 24.739 1.00 25.61 C ATOM 403 C ALA A 52 56.032 26.396 25.294 1.00 24.95 C ATOM 404 O ALA A 52 55.136 25.529 25.301 1.00 26.20 O ATOM 405 CB ALA A 52 55.396 28.736 25.827 1.00 26.65 C ATOM 0 H ALA A 52 54.059 27.125 23.917 1.00 24.56 H new ATOM 0 HA ALA A 52 56.577 28.049 24.305 1.00 25.61 H new ATOM 0 HB1 ALA A 52 56.112 28.774 26.481 1.00 26.65 H new ATOM 0 HB2 ALA A 52 55.264 29.616 25.440 1.00 26.65 H new ATOM 0 HB3 ALA A 52 54.578 28.448 26.261 1.00 26.65 H new ATOM 406 N ASP A 53 57.287 26.190 25.712 1.00 23.02 N ATOM 407 CA ASP A 53 57.754 24.867 26.119 1.00 24.68 C ATOM 408 C ASP A 53 57.358 24.649 27.585 1.00 23.14 C ATOM 409 O ASP A 53 57.778 25.355 28.436 1.00 22.08 O ATOM 410 CB ASP A 53 59.252 24.883 25.952 1.00 24.78 C ATOM 411 CG ASP A 53 59.907 23.524 26.276 1.00 26.86 C ATOM 412 OD1 ASP A 53 59.196 22.614 26.805 1.00 25.88 O ATOM 413 OD2 ASP A 53 61.097 23.402 25.938 1.00 29.83 O ATOM 0 H ASP A 53 57.882 26.808 25.766 1.00 23.02 H new ATOM 0 HA ASP A 53 57.368 24.149 25.594 1.00 24.68 H new ATOM 0 HB2 ASP A 53 59.468 25.132 25.040 1.00 24.78 H new ATOM 0 HB3 ASP A 53 59.630 25.565 26.529 1.00 24.78 H new ATOM 414 N PRO A 54 56.537 23.643 27.879 1.00 24.73 N ATOM 415 CA PRO A 54 56.120 23.354 29.260 1.00 25.76 C ATOM 416 C PRO A 54 57.275 23.071 30.223 1.00 24.61 C ATOM 417 O PRO A 54 57.114 23.159 31.478 1.00 23.64 O ATOM 418 CB PRO A 54 55.332 22.012 29.075 1.00 26.87 C ATOM 419 CG PRO A 54 54.856 22.034 27.769 1.00 30.41 C ATOM 420 CD PRO A 54 56.025 22.633 26.939 1.00 27.19 C ATOM 0 HA PRO A 54 55.642 24.107 29.641 1.00 25.76 H new ATOM 0 HB2 PRO A 54 55.908 21.246 29.223 1.00 26.87 H new ATOM 0 HB3 PRO A 54 54.603 21.945 29.711 1.00 26.87 H new ATOM 0 HG2 PRO A 54 54.625 21.143 27.462 1.00 30.41 H new ATOM 0 HG3 PRO A 54 54.055 22.576 27.694 1.00 30.41 H new ATOM 0 HD2 PRO A 54 56.694 21.968 26.712 1.00 27.19 H new ATOM 0 HD3 PRO A 54 55.722 23.026 26.106 1.00 27.19 H new ATOM 421 N LYS A 55 58.443 22.667 29.690 1.00 23.11 N ATOM 422 CA LYS A 55 59.596 22.345 30.509 1.00 22.38 C ATOM 423 C LYS A 55 60.371 23.584 30.983 1.00 22.29 C ATOM 424 O LYS A 55 61.133 23.526 31.922 1.00 24.78 O ATOM 425 CB ALYS A 55 60.549 21.479 29.699 0.65 23.09 C ATOM 426 CB BLYS A 55 60.500 21.391 29.732 0.35 22.72 C ATOM 427 CG ALYS A 55 59.995 20.077 29.415 0.65 22.23 C ATOM 428 CG BLYS A 55 59.763 20.092 29.353 0.35 19.89 C ATOM 429 CD ALYS A 55 61.167 19.181 29.013 0.65 23.79 C ATOM 430 CD BLYS A 55 60.712 19.075 28.744 0.35 21.40 C ATOM 431 CE ALYS A 55 60.700 17.728 28.719 0.65 27.17 C ATOM 432 CE BLYS A 55 60.247 17.644 29.102 0.35 20.09 C ATOM 433 NZ ALYS A 55 59.686 17.731 27.602 0.65 28.40 N ATOM 434 NZ BLYS A 55 61.158 16.613 28.572 0.35 18.71 N ATOM 0 H LYS A 55 58.575 22.576 28.845 1.00 23.11 H new ATOM 0 HA LYS A 55 59.261 21.887 31.296 1.00 22.38 H new ATOM 0 HB2ALYS A 55 60.743 21.921 28.857 0.65 22.72 H new ATOM 0 HB2BLYS A 55 60.819 21.829 28.928 0.35 22.72 H new ATOM 0 HB3ALYS A 55 61.389 21.398 30.177 0.65 22.72 H new ATOM 0 HB3BLYS A 55 61.281 21.177 30.266 0.35 22.72 H new ATOM 0 HG2ALYS A 55 59.550 19.722 30.201 0.65 19.89 H new ATOM 0 HG2BLYS A 55 59.344 19.714 30.142 0.35 19.89 H new ATOM 0 HG3ALYS A 55 59.334 20.110 28.706 0.65 19.89 H new ATOM 0 HG3BLYS A 55 59.053 20.293 28.723 0.35 19.89 H new ATOM 0 HD2ALYS A 55 61.601 19.548 28.227 0.65 21.40 H new ATOM 0 HD2BLYS A 55 60.740 19.183 27.780 0.35 21.40 H new ATOM 0 HD3ALYS A 55 61.827 19.172 29.723 0.65 21.40 H new ATOM 0 HD3BLYS A 55 61.612 19.223 29.073 0.35 21.40 H new ATOM 0 HE2ALYS A 55 61.461 17.178 28.474 0.65 20.09 H new ATOM 0 HE2BLYS A 55 60.188 17.557 30.066 0.35 20.09 H new ATOM 0 HE3ALYS A 55 60.312 17.337 29.517 0.65 20.09 H new ATOM 0 HE3BLYS A 55 59.355 17.498 28.749 0.35 20.09 H new ATOM 0 HZ1ALYS A 55 59.852 17.054 27.048 0.65 18.71 H new ATOM 0 HZ1BLYS A 55 60.857 15.806 28.798 0.35 18.71 H new ATOM 0 HZ2ALYS A 55 58.869 17.641 27.943 0.65 18.71 H new ATOM 0 HZ2BLYS A 55 61.196 16.677 27.685 0.35 18.71 H new ATOM 0 HZ3ALYS A 55 59.738 18.499 27.155 0.65 18.71 H new ATOM 0 HZ3BLYS A 55 61.972 16.732 28.912 0.35 18.71 H new ATOM 435 N GLU A 56 60.190 24.720 30.305 1.00 22.06 N ATOM 436 CA GLU A 56 60.989 25.943 30.665 1.00 23.55 C ATOM 437 C GLU A 56 60.540 26.588 31.992 1.00 23.48 C ATOM 438 O GLU A 56 59.338 26.745 32.266 1.00 23.98 O ATOM 439 CB GLU A 56 60.916 27.006 29.547 1.00 25.08 C ATOM 440 CG GLU A 56 61.617 26.571 28.320 1.00 28.59 C ATOM 441 CD GLU A 56 63.105 26.930 28.321 1.00 36.55 C ATOM 442 OE1 GLU A 56 63.669 26.910 27.219 1.00 42.89 O ATOM 443 OE2 GLU A 56 63.715 27.256 29.375 1.00 42.00 O ATOM 0 H GLU A 56 59.636 24.822 29.655 1.00 22.06 H new ATOM 0 HA GLU A 56 61.902 25.635 30.773 1.00 23.55 H new ATOM 0 HB2 GLU A 56 59.987 27.192 29.339 1.00 25.08 H new ATOM 0 HB3 GLU A 56 61.307 27.835 29.865 1.00 25.08 H new ATOM 0 HG2 GLU A 56 61.521 25.611 28.222 1.00 28.59 H new ATOM 0 HG3 GLU A 56 61.192 26.978 27.549 1.00 28.59 H new ATOM 444 N LYS A 57 61.505 27.030 32.805 1.00 23.14 N ATOM 445 CA LYS A 57 61.177 27.620 34.116 1.00 22.32 C ATOM 446 C LYS A 57 60.206 28.813 33.920 1.00 24.03 C ATOM 447 O LYS A 57 59.244 28.951 34.661 1.00 25.73 O ATOM 448 CB LYS A 57 62.466 28.123 34.788 1.00 23.14 C ATOM 449 CG LYS A 57 62.250 28.684 36.173 1.00 26.09 C ATOM 450 CD LYS A 57 63.625 28.940 36.828 1.00 34.21 C ATOM 451 CE LYS A 57 63.492 29.198 38.330 1.00 40.12 C ATOM 452 NZ LYS A 57 64.762 29.642 38.994 1.00 43.44 N ATOM 0 H LYS A 57 62.345 27.000 32.623 1.00 23.14 H new ATOM 0 HA LYS A 57 60.757 26.947 34.675 1.00 22.32 H new ATOM 0 HB2 LYS A 57 63.101 27.391 34.840 1.00 23.14 H new ATOM 0 HB3 LYS A 57 62.867 28.807 34.229 1.00 23.14 H new ATOM 0 HG2 LYS A 57 61.742 29.509 36.125 1.00 26.09 H new ATOM 0 HG3 LYS A 57 61.733 28.063 36.710 1.00 26.09 H new ATOM 0 HD2 LYS A 57 64.203 28.175 36.680 1.00 34.21 H new ATOM 0 HD3 LYS A 57 64.050 29.702 36.404 1.00 34.21 H new ATOM 0 HE2 LYS A 57 62.811 29.874 38.473 1.00 40.12 H new ATOM 0 HE3 LYS A 57 63.181 28.387 38.761 1.00 40.12 H new ATOM 0 HZ1 LYS A 57 64.613 29.773 39.862 1.00 43.44 H new ATOM 0 HZ2 LYS A 57 65.386 29.015 38.892 1.00 43.44 H new ATOM 0 HZ3 LYS A 57 65.041 30.401 38.623 1.00 43.44 H new ATOM 453 N TRP A 58 60.484 29.699 32.976 1.00 24.70 N ATOM 454 CA TRP A 58 59.610 30.898 32.848 1.00 25.51 C ATOM 455 C TRP A 58 58.188 30.562 32.516 1.00 25.66 C ATOM 456 O TRP A 58 57.273 31.197 33.037 1.00 27.05 O ATOM 457 CB TRP A 58 60.156 31.926 31.859 1.00 27.30 C ATOM 458 CG TRP A 58 60.110 31.605 30.444 1.00 27.39 C ATOM 459 CD1 TRP A 58 61.111 31.041 29.685 1.00 30.42 C ATOM 460 CD2 TRP A 58 59.044 31.930 29.519 1.00 27.69 C ATOM 461 NE1 TRP A 58 60.706 30.967 28.343 1.00 29.86 N ATOM 462 CE2 TRP A 58 59.446 31.492 28.224 1.00 27.76 C ATOM 463 CE3 TRP A 58 57.758 32.464 29.668 1.00 29.18 C ATOM 464 CZ2 TRP A 58 58.604 31.612 27.075 1.00 30.19 C ATOM 465 CZ3 TRP A 58 56.931 32.634 28.520 1.00 31.19 C ATOM 466 CH2 TRP A 58 57.355 32.202 27.238 1.00 30.88 C ATOM 0 H TRP A 58 61.136 29.647 32.417 1.00 24.70 H new ATOM 0 HA TRP A 58 59.615 31.300 33.731 1.00 25.51 H new ATOM 0 HB2 TRP A 58 59.668 32.754 31.992 1.00 27.30 H new ATOM 0 HB3 TRP A 58 61.081 32.101 32.094 1.00 27.30 H new ATOM 0 HD1 TRP A 58 61.932 30.752 30.012 1.00 30.42 H new ATOM 0 HE1 TRP A 58 61.174 30.644 27.698 1.00 29.86 H new ATOM 0 HE3 TRP A 58 57.446 32.706 30.510 1.00 29.18 H new ATOM 0 HZ2 TRP A 58 58.883 31.305 26.243 1.00 30.19 H new ATOM 0 HZ3 TRP A 58 56.098 33.036 28.614 1.00 31.19 H new ATOM 0 HH2 TRP A 58 56.796 32.314 26.503 1.00 30.88 H new ATOM 467 N VAL A 59 58.006 29.534 31.686 1.00 24.51 N ATOM 468 CA VAL A 59 56.687 29.119 31.232 1.00 23.24 C ATOM 469 C VAL A 59 55.944 28.590 32.457 1.00 23.19 C ATOM 470 O VAL A 59 54.793 28.981 32.707 1.00 24.69 O ATOM 471 CB VAL A 59 56.845 28.044 30.156 1.00 24.03 C ATOM 472 CG1 VAL A 59 55.501 27.477 29.756 1.00 23.77 C ATOM 473 CG2 VAL A 59 57.554 28.703 28.921 1.00 23.20 C ATOM 0 H VAL A 59 58.650 29.058 31.371 1.00 24.51 H new ATOM 0 HA VAL A 59 56.186 29.851 30.839 1.00 23.24 H new ATOM 0 HB VAL A 59 57.376 27.308 30.498 1.00 24.03 H new ATOM 0 HG11 VAL A 59 55.626 26.799 29.074 1.00 23.77 H new ATOM 0 HG12 VAL A 59 55.073 27.081 30.531 1.00 23.77 H new ATOM 0 HG13 VAL A 59 54.941 28.188 29.406 1.00 23.77 H new ATOM 0 HG21 VAL A 59 57.667 28.041 28.221 1.00 23.20 H new ATOM 0 HG22 VAL A 59 57.011 29.435 28.588 1.00 23.20 H new ATOM 0 HG23 VAL A 59 58.423 29.041 29.189 1.00 23.20 H new ATOM 474 N GLN A 60 56.612 27.758 33.240 1.00 22.39 N ATOM 475 CA GLN A 60 56.018 27.238 34.482 1.00 23.06 C ATOM 476 C GLN A 60 55.653 28.321 35.482 1.00 24.47 C ATOM 477 O GLN A 60 54.551 28.286 36.055 1.00 25.78 O ATOM 478 CB GLN A 60 56.890 26.141 35.123 1.00 22.49 C ATOM 479 CG GLN A 60 57.002 24.946 34.246 1.00 23.36 C ATOM 480 CD GLN A 60 57.715 23.804 34.986 1.00 26.00 C ATOM 481 OE1 GLN A 60 57.681 23.734 36.231 1.00 30.03 O ATOM 482 NE2 GLN A 60 58.432 22.988 34.251 1.00 26.16 N ATOM 0 H GLN A 60 57.409 27.477 33.079 1.00 22.39 H new ATOM 0 HA GLN A 60 55.179 26.830 34.217 1.00 23.06 H new ATOM 0 HB2 GLN A 60 57.775 26.495 35.303 1.00 22.49 H new ATOM 0 HB3 GLN A 60 56.509 25.882 35.977 1.00 22.49 H new ATOM 0 HG2 GLN A 60 56.119 24.657 33.968 1.00 23.36 H new ATOM 0 HG3 GLN A 60 57.492 25.173 33.441 1.00 23.36 H new ATOM 0 HE21 GLN A 60 58.430 23.067 33.395 1.00 26.16 H new ATOM 0 HE22 GLN A 60 58.904 22.374 34.625 1.00 26.16 H new ATOM 483 N ASN A 61 56.511 29.318 35.634 1.00 25.95 N ATOM 484 CA ASN A 61 56.233 30.410 36.570 1.00 26.38 C ATOM 485 C ASN A 61 55.012 31.169 36.066 1.00 25.98 C ATOM 486 O ASN A 61 54.139 31.566 36.855 1.00 26.65 O ATOM 487 CB AASN A 61 57.434 31.337 36.658 0.65 26.72 C ATOM 488 CB BASN A 61 57.433 31.360 36.646 0.35 26.13 C ATOM 489 CG AASN A 61 58.560 30.767 37.512 0.65 29.99 C ATOM 490 CG BASN A 61 57.146 32.619 37.467 0.35 27.13 C ATOM 491 OD1AASN A 61 58.392 29.776 38.239 0.65 34.96 O ATOM 492 OD1BASN A 61 57.071 33.724 36.927 0.35 29.89 O ATOM 493 ND2AASN A 61 59.720 31.412 37.438 0.65 36.80 N ATOM 494 ND2BASN A 61 56.970 32.450 38.775 0.35 27.79 N ATOM 0 H ASN A 61 57.256 29.386 35.211 1.00 25.95 H new ATOM 0 HA ASN A 61 56.059 30.057 37.457 1.00 26.38 H new ATOM 0 HB2AASN A 61 57.768 31.512 35.764 0.65 26.13 H new ATOM 0 HB2BASN A 61 58.187 30.890 37.036 0.35 26.13 H new ATOM 0 HB3AASN A 61 57.153 32.189 37.027 0.65 26.13 H new ATOM 0 HB3BASN A 61 57.693 31.618 35.748 0.35 26.13 H new ATOM 0 HD21AASN A 61 60.391 31.145 37.906 0.65 27.79 H new ATOM 0 HD21BASN A 61 56.797 33.127 39.277 0.35 27.79 H new ATOM 0 HD22AASN A 61 59.800 32.096 36.923 0.65 27.79 H new ATOM 0 HD22BASN A 61 57.029 31.664 39.119 0.35 27.79 H new ATOM 495 N TYR A 62 54.913 31.366 34.734 1.00 24.51 N ATOM 496 CA TYR A 62 53.776 32.113 34.214 1.00 24.98 C ATOM 497 C TYR A 62 52.503 31.329 34.403 1.00 25.96 C ATOM 498 O TYR A 62 51.480 31.937 34.693 1.00 26.88 O ATOM 499 CB TYR A 62 53.962 32.423 32.719 1.00 25.09 C ATOM 500 CG TYR A 62 54.916 33.550 32.388 1.00 24.06 C ATOM 501 CD1 TYR A 62 55.779 34.094 33.349 1.00 27.57 C ATOM 502 CD2 TYR A 62 54.886 34.116 31.115 1.00 27.40 C ATOM 503 CE1 TYR A 62 56.629 35.183 33.040 1.00 27.35 C ATOM 504 CE2 TYR A 62 55.728 35.210 30.804 1.00 26.73 C ATOM 505 CZ TYR A 62 56.605 35.700 31.747 1.00 29.48 C ATOM 506 OH TYR A 62 57.434 36.769 31.394 1.00 30.60 O ATOM 0 H TYR A 62 55.474 31.084 34.146 1.00 24.51 H new ATOM 0 HA TYR A 62 53.719 32.947 34.705 1.00 24.98 H new ATOM 0 HB2 TYR A 62 54.274 31.618 32.277 1.00 25.09 H new ATOM 0 HB3 TYR A 62 53.095 32.636 32.341 1.00 25.09 H new ATOM 0 HD1 TYR A 62 55.794 33.733 34.206 1.00 27.57 H new ATOM 0 HD2 TYR A 62 54.311 33.774 30.469 1.00 27.40 H new ATOM 0 HE1 TYR A 62 57.191 35.545 33.686 1.00 27.35 H new ATOM 0 HE2 TYR A 62 55.689 35.600 29.960 1.00 26.73 H new ATOM 0 HH TYR A 62 57.183 37.087 30.658 1.00 30.60 H new ATOM 507 N MET A 63 52.547 30.000 34.226 1.00 24.56 N ATOM 508 CA MET A 63 51.346 29.176 34.391 1.00 26.07 C ATOM 509 C MET A 63 50.862 29.285 35.840 1.00 27.14 C ATOM 510 O MET A 63 49.656 29.369 36.093 1.00 27.87 O ATOM 511 CB AMET A 63 51.653 27.734 34.059 0.65 26.50 C ATOM 512 CB BMET A 63 51.622 27.717 34.040 0.35 26.19 C ATOM 513 CG AMET A 63 51.993 27.523 32.585 0.65 25.88 C ATOM 514 CG BMET A 63 51.654 27.433 32.536 0.35 24.98 C ATOM 515 SD AMET A 63 52.915 25.974 32.329 0.65 28.20 S ATOM 516 SD BMET A 63 51.572 25.662 32.098 0.35 27.61 S ATOM 517 CE AMET A 63 51.656 24.792 32.751 0.65 29.42 C ATOM 518 CE BMET A 63 53.170 25.055 32.658 0.35 21.93 C ATOM 0 H MET A 63 53.256 29.563 34.012 1.00 24.56 H new ATOM 0 HA MET A 63 50.653 29.491 33.789 1.00 26.07 H new ATOM 0 HB2AMET A 63 52.397 27.433 34.604 0.65 26.19 H new ATOM 0 HB2BMET A 63 52.472 27.456 34.427 0.35 26.19 H new ATOM 0 HB3AMET A 63 50.889 27.184 34.292 0.65 26.19 H new ATOM 0 HB3BMET A 63 50.941 27.161 34.450 0.35 26.19 H new ATOM 0 HG2AMET A 63 51.176 27.505 32.063 0.65 24.98 H new ATOM 0 HG2BMET A 63 50.911 27.893 32.116 0.35 24.98 H new ATOM 0 HG3AMET A 63 52.519 28.271 32.263 0.65 24.98 H new ATOM 0 HG3BMET A 63 52.467 27.809 32.165 0.35 24.98 H new ATOM 0 HE1AMET A 63 52.006 23.894 32.644 0.65 21.93 H new ATOM 0 HE1BMET A 63 53.239 24.105 32.472 0.35 21.93 H new ATOM 0 HE2AMET A 63 51.383 24.924 33.672 0.65 21.93 H new ATOM 0 HE2BMET A 63 53.877 25.527 32.192 0.35 21.93 H new ATOM 0 HE3AMET A 63 50.891 24.912 32.167 0.65 21.93 H new ATOM 0 HE3BMET A 63 53.257 25.205 33.612 0.35 21.93 H new ATOM 519 N LYS A 64 51.803 29.316 36.774 1.00 27.08 N ATOM 520 CA LYS A 64 51.454 29.475 38.215 1.00 28.38 C ATOM 521 C LYS A 64 50.782 30.825 38.438 1.00 29.24 C ATOM 522 O LYS A 64 49.828 30.915 39.244 1.00 30.45 O ATOM 523 CB LYS A 64 52.701 29.270 39.097 1.00 27.98 C ATOM 524 CG LYS A 64 52.568 29.362 40.686 1.00 30.43 C ATOM 525 CD LYS A 64 51.783 28.158 41.245 1.00 36.76 C ATOM 526 CE LYS A 64 51.601 28.189 42.769 1.00 37.15 C ATOM 527 NZ LYS A 64 52.924 28.302 43.505 1.00 39.30 N ATOM 0 H LYS A 64 52.645 29.249 36.614 1.00 27.08 H new ATOM 0 HA LYS A 64 50.817 28.792 38.477 1.00 28.38 H new ATOM 0 HB2 LYS A 64 53.065 28.396 38.886 1.00 27.98 H new ATOM 0 HB3 LYS A 64 53.361 29.925 38.823 1.00 27.98 H new ATOM 0 HG2 LYS A 64 53.451 29.391 41.087 1.00 30.43 H new ATOM 0 HG3 LYS A 64 52.119 30.187 40.929 1.00 30.43 H new ATOM 0 HD2 LYS A 64 50.910 28.129 40.824 1.00 36.76 H new ATOM 0 HD3 LYS A 64 52.244 27.340 40.999 1.00 36.76 H new ATOM 0 HE2 LYS A 64 51.034 28.938 43.010 1.00 37.15 H new ATOM 0 HE3 LYS A 64 51.142 27.383 43.054 1.00 37.15 H new ATOM 0 HZ1 LYS A 64 52.782 28.244 44.382 1.00 39.30 H new ATOM 0 HZ2 LYS A 64 53.464 27.643 43.248 1.00 39.30 H new ATOM 0 HZ3 LYS A 64 53.302 29.085 43.317 1.00 39.30 H new ATOM 528 N HIS A 65 51.247 31.877 37.774 1.00 28.64 N ATOM 529 CA HIS A 65 50.606 33.189 38.001 1.00 29.74 C ATOM 530 C HIS A 65 49.241 33.266 37.387 1.00 31.09 C ATOM 531 O HIS A 65 48.306 33.797 38.008 1.00 33.67 O ATOM 532 CB AHIS A 65 51.481 34.340 37.506 0.65 28.83 C ATOM 533 CB BHIS A 65 51.519 34.336 37.550 0.35 29.09 C ATOM 534 CG AHIS A 65 52.549 34.707 38.468 0.65 31.40 C ATOM 535 CG BHIS A 65 51.169 35.653 38.163 0.35 30.47 C ATOM 536 ND1AHIS A 65 53.821 34.186 38.407 0.65 31.89 N ATOM 537 ND1BHIS A 65 50.715 36.804 37.610 0.35 29.20 N flip ATOM 538 CD2AHIS A 65 52.513 35.481 39.577 0.65 31.25 C ATOM 539 CD2BHIS A 65 51.255 35.886 39.521 0.35 30.24 C flip ATOM 540 CE1AHIS A 65 54.537 34.653 39.416 0.65 33.26 C ATOM 541 CE1BHIS A 65 50.552 37.706 38.631 0.35 29.48 C flip ATOM 542 NE2AHIS A 65 53.768 35.439 40.139 0.65 34.48 N ATOM 543 NE2BHIS A 65 50.864 37.124 39.775 0.35 29.70 N flip ATOM 0 H HIS A 65 51.899 31.868 37.213 1.00 28.64 H new ATOM 0 HA HIS A 65 50.503 33.279 38.961 1.00 29.74 H new ATOM 0 HB2AHIS A 65 51.885 34.092 36.660 0.65 29.09 H new ATOM 0 HB2BHIS A 65 52.437 34.117 37.775 0.35 29.09 H new ATOM 0 HB3AHIS A 65 50.923 35.115 37.338 0.65 29.09 H new ATOM 0 HB3BHIS A 65 51.474 34.415 36.584 0.35 29.09 H new ATOM 0 HD1AHIS A 65 54.106 33.641 37.806 0.65 29.20 H new ATOM 0 HD2AHIS A 65 51.779 35.952 39.899 0.65 30.24 H new ATOM 0 HD2BHIS A 65 51.542 35.270 40.156 0.35 30.24 H new ATOM 0 HE1AHIS A 65 55.431 34.459 39.586 0.65 29.48 H new ATOM 0 HE1BHIS A 65 50.267 38.586 38.533 0.35 29.48 H new ATOM 0 HE2BHIS A 65 50.820 37.488 40.553 0.35 29.70 H new ATOM 544 N LEU A 66 49.080 32.697 36.200 1.00 31.79 N ATOM 545 CA LEU A 66 47.842 32.799 35.477 1.00 33.28 C ATOM 546 C LEU A 66 46.721 31.920 36.043 1.00 36.06 C ATOM 547 O LEU A 66 45.554 32.342 36.066 1.00 38.39 O ATOM 548 CB LEU A 66 48.072 32.526 33.984 1.00 30.29 C ATOM 549 CG LEU A 66 48.930 33.555 33.257 1.00 28.97 C ATOM 550 CD1 LEU A 66 49.303 33.036 31.855 1.00 30.09 C ATOM 551 CD2 LEU A 66 48.120 34.856 33.117 1.00 32.84 C ATOM 0 H LEU A 66 49.690 32.243 35.798 1.00 31.79 H new ATOM 0 HA LEU A 66 47.532 33.711 35.588 1.00 33.28 H new ATOM 0 HB2 LEU A 66 48.489 31.655 33.890 1.00 30.29 H new ATOM 0 HB3 LEU A 66 47.209 32.477 33.543 1.00 30.29 H new ATOM 0 HG LEU A 66 49.744 33.715 33.760 1.00 28.97 H new ATOM 0 HD11 LEU A 66 49.848 33.696 31.400 1.00 30.09 H new ATOM 0 HD12 LEU A 66 49.801 32.208 31.938 1.00 30.09 H new ATOM 0 HD13 LEU A 66 48.495 32.877 31.343 1.00 30.09 H new ATOM 0 HD21 LEU A 66 48.654 35.522 32.656 1.00 32.84 H new ATOM 0 HD22 LEU A 66 47.312 34.681 32.609 1.00 32.84 H new ATOM 0 HD23 LEU A 66 47.883 35.186 33.998 1.00 32.84 H new ATOM 552 N GLY A 67 47.069 30.735 36.530 1.00 38.33 N ATOM 553 CA GLY A 67 46.083 29.809 37.106 1.00 40.63 C ATOM 554 C GLY A 67 45.359 28.909 36.092 1.00 42.57 C ATOM 555 O GLY A 67 45.207 29.226 34.882 1.00 44.24 O ATOM 0 H GLY A 67 47.877 30.441 36.539 1.00 38.33 H new ATOM 0 HA2 GLY A 67 46.531 29.245 37.755 1.00 40.63 H new ATOM 0 HA3 GLY A 67 45.420 30.326 37.590 1.00 40.63 H new TER 556 GLY A 67 ATOM 557 N ASP B 3 65.522 36.132 18.547 1.00 30.97 N ATOM 558 CA ASP B 3 64.435 35.461 19.359 1.00 30.70 C ATOM 559 C ASP B 3 63.066 36.009 18.997 1.00 29.52 C ATOM 560 O ASP B 3 62.902 37.213 18.808 1.00 29.28 O ATOM 561 CB ASP B 3 64.666 35.624 20.860 1.00 32.31 C ATOM 562 CG ASP B 3 65.837 34.785 21.364 1.00 36.49 C ATOM 563 OD1 ASP B 3 66.167 34.883 22.574 1.00 40.28 O ATOM 564 OD2 ASP B 3 66.431 34.042 20.532 1.00 42.15 O ATOM 0 HA ASP B 3 64.468 34.516 19.143 1.00 30.70 H new ATOM 0 HB2 ASP B 3 64.832 36.559 21.059 1.00 32.31 H new ATOM 0 HB3 ASP B 3 63.861 35.371 21.338 1.00 32.31 H new ATOM 565 N ALA B 4 62.077 35.120 18.945 1.00 27.61 N ATOM 566 CA ALA B 4 60.794 35.469 18.339 1.00 26.37 C ATOM 567 C ALA B 4 59.751 34.635 19.019 1.00 24.72 C ATOM 568 O ALA B 4 60.049 33.607 19.661 1.00 26.41 O ATOM 569 CB ALA B 4 60.788 35.177 16.860 1.00 25.31 C ATOM 0 H ALA B 4 62.127 34.318 19.251 1.00 27.61 H new ATOM 0 HA ALA B 4 60.623 36.418 18.447 1.00 26.37 H new ATOM 0 HB1 ALA B 4 59.926 35.418 16.486 1.00 25.31 H new ATOM 0 HB2 ALA B 4 61.485 35.693 16.425 1.00 25.31 H new ATOM 0 HB3 ALA B 4 60.949 34.231 16.716 1.00 25.31 H new ATOM 570 N LEU B 5 58.534 35.126 18.951 1.00 23.70 N ATOM 571 CA LEU B 5 57.416 34.328 19.379 1.00 21.87 C ATOM 572 C LEU B 5 57.060 33.379 18.266 1.00 23.65 C ATOM 573 O LEU B 5 57.161 33.745 17.078 1.00 23.20 O ATOM 574 CB LEU B 5 56.177 35.234 19.609 1.00 22.56 C ATOM 575 CG LEU B 5 56.313 36.224 20.751 1.00 25.36 C ATOM 576 CD1 LEU B 5 54.969 37.017 20.855 1.00 27.70 C ATOM 577 CD2 LEU B 5 56.730 35.624 22.116 1.00 27.66 C ATOM 0 H LEU B 5 58.336 35.912 18.663 1.00 23.70 H new ATOM 0 HA LEU B 5 57.653 33.861 20.196 1.00 21.87 H new ATOM 0 HB2 LEU B 5 55.996 35.725 18.792 1.00 22.56 H new ATOM 0 HB3 LEU B 5 55.407 34.669 19.778 1.00 22.56 H new ATOM 0 HG LEU B 5 57.057 36.808 20.537 1.00 25.36 H new ATOM 0 HD11 LEU B 5 55.027 37.659 21.579 1.00 27.70 H new ATOM 0 HD12 LEU B 5 54.804 37.484 20.021 1.00 27.70 H new ATOM 0 HD13 LEU B 5 54.241 36.400 21.029 1.00 27.70 H new ATOM 0 HD21 LEU B 5 56.789 36.332 22.776 1.00 27.66 H new ATOM 0 HD22 LEU B 5 56.069 34.973 22.399 1.00 27.66 H new ATOM 0 HD23 LEU B 5 57.593 35.191 22.029 1.00 27.66 H new ATOM 578 N ASN B 6 56.549 32.198 18.614 1.00 23.61 N ATOM 579 CA ASN B 6 56.079 31.245 17.592 1.00 25.78 C ATOM 580 C ASN B 6 54.612 30.963 17.907 1.00 26.13 C ATOM 581 O ASN B 6 54.216 31.030 19.081 1.00 24.98 O ATOM 582 CB ASN B 6 56.840 29.913 17.652 1.00 28.01 C ATOM 583 CG ASN B 6 58.365 30.028 17.425 1.00 33.87 C ATOM 584 OD1 ASN B 6 59.039 30.930 18.139 1.00 41.29 O flip ATOM 585 ND2 ASN B 6 58.930 29.213 16.688 1.00 35.22 N flip ATOM 0 H ASN B 6 56.464 31.927 19.426 1.00 23.61 H new ATOM 0 HA ASN B 6 56.216 31.626 16.711 1.00 25.78 H new ATOM 0 HB2 ASN B 6 56.684 29.505 18.518 1.00 28.01 H new ATOM 0 HB3 ASN B 6 56.471 29.313 16.985 1.00 28.01 H new ATOM 0 HD21 ASN B 6 58.466 28.644 16.241 1.00 35.22 H new ATOM 0 HD22 ASN B 6 59.787 29.215 16.622 1.00 35.22 H new ATOM 586 N VAL B 7 53.823 30.684 16.876 1.00 26.23 N ATOM 587 CA VAL B 7 52.382 30.524 17.034 1.00 26.01 C ATOM 588 C VAL B 7 51.929 29.113 16.603 1.00 25.76 C ATOM 589 O VAL B 7 52.687 28.375 15.875 1.00 26.39 O ATOM 590 CB VAL B 7 51.585 31.637 16.321 1.00 27.20 C ATOM 591 CG1 VAL B 7 52.113 33.002 16.792 1.00 25.60 C ATOM 592 CG2 VAL B 7 51.687 31.490 14.778 1.00 27.15 C ATOM 0 H VAL B 7 54.105 30.583 16.070 1.00 26.23 H new ATOM 0 HA VAL B 7 52.184 30.617 17.979 1.00 26.01 H new ATOM 0 HB VAL B 7 50.645 31.564 16.550 1.00 27.20 H new ATOM 0 HG11 VAL B 7 51.619 33.710 16.350 1.00 25.60 H new ATOM 0 HG12 VAL B 7 51.999 33.079 17.752 1.00 25.60 H new ATOM 0 HG13 VAL B 7 53.054 33.079 16.571 1.00 25.60 H new ATOM 0 HG21 VAL B 7 51.180 32.198 14.351 1.00 27.15 H new ATOM 0 HG22 VAL B 7 52.617 31.550 14.508 1.00 27.15 H new ATOM 0 HG23 VAL B 7 51.328 30.629 14.510 1.00 27.15 H new ATOM 593 N PRO B 8 50.764 28.705 17.079 1.00 25.58 N ATOM 594 CA PRO B 8 50.335 27.325 16.782 1.00 25.87 C ATOM 595 C PRO B 8 50.015 27.028 15.327 1.00 27.58 C ATOM 596 O PRO B 8 49.765 27.969 14.512 1.00 28.42 O ATOM 597 CB PRO B 8 49.073 27.141 17.646 1.00 27.14 C ATOM 598 CG PRO B 8 49.142 28.207 18.754 1.00 26.03 C ATOM 599 CD PRO B 8 49.834 29.400 17.989 1.00 24.95 C ATOM 0 HA PRO B 8 51.063 26.714 16.975 1.00 25.87 H new ATOM 0 HB2 PRO B 8 48.270 27.250 17.112 1.00 27.14 H new ATOM 0 HB3 PRO B 8 49.042 26.249 18.026 1.00 27.14 H new ATOM 0 HG2 PRO B 8 48.263 28.446 19.087 1.00 26.03 H new ATOM 0 HG3 PRO B 8 49.663 27.910 19.516 1.00 26.03 H new ATOM 0 HD2 PRO B 8 49.190 29.939 17.503 1.00 24.95 H new ATOM 0 HD3 PRO B 8 50.301 29.995 18.596 1.00 24.95 H new ATOM 600 N SER B 9 49.925 25.716 15.050 1.00 26.17 N ATOM 601 CA SER B 9 49.613 25.154 13.742 1.00 28.63 C ATOM 602 C SER B 9 48.221 24.533 13.879 1.00 27.60 C ATOM 603 O SER B 9 47.737 24.244 14.998 1.00 29.76 O ATOM 604 CB SER B 9 50.620 24.027 13.404 1.00 27.98 C ATOM 605 OG SER B 9 51.933 24.628 13.202 1.00 31.66 O ATOM 0 H SER B 9 50.051 25.112 15.650 1.00 26.17 H new ATOM 0 HA SER B 9 49.654 25.830 13.047 1.00 28.63 H new ATOM 0 HB2 SER B 9 50.653 23.377 14.124 1.00 27.98 H new ATOM 0 HB3 SER B 9 50.340 23.552 12.606 1.00 27.98 H new ATOM 0 HG SER B 9 52.317 24.718 13.944 1.00 31.66 H new ATOM 606 N THR B 10 47.569 24.362 12.738 1.00 26.44 N ATOM 607 CA THR B 10 46.242 23.795 12.703 1.00 26.89 C ATOM 608 C THR B 10 46.280 22.439 12.050 1.00 27.14 C ATOM 609 O THR B 10 46.793 22.306 10.927 1.00 28.29 O ATOM 610 CB THR B 10 45.367 24.760 11.848 1.00 28.13 C ATOM 611 OG1 THR B 10 45.312 26.007 12.578 1.00 33.83 O ATOM 612 CG2 THR B 10 43.986 24.233 11.802 1.00 30.42 C ATOM 0 H THR B 10 47.886 24.572 11.967 1.00 26.44 H new ATOM 0 HA THR B 10 45.884 23.691 13.599 1.00 26.89 H new ATOM 0 HB THR B 10 45.726 24.859 10.953 1.00 28.13 H new ATOM 0 HG1 THR B 10 44.848 26.562 12.151 1.00 33.83 H new ATOM 0 HG21 THR B 10 43.431 24.826 11.272 1.00 30.42 H new ATOM 0 HG22 THR B 10 43.990 23.350 11.401 1.00 30.42 H new ATOM 0 HG23 THR B 10 43.631 24.177 12.703 1.00 30.42 H new ATOM 613 N CYS B 11 45.769 21.418 12.747 1.00 26.86 N ATOM 614 CA CYS B 11 45.863 20.050 12.171 1.00 27.05 C ATOM 615 C CYS B 11 44.527 19.384 12.356 1.00 28.24 C ATOM 616 O CYS B 11 43.726 19.766 13.244 1.00 29.57 O ATOM 617 CB CYS B 11 46.898 19.192 12.909 1.00 29.94 C ATOM 618 SG CYS B 11 48.574 19.786 12.877 1.00 32.54 S ATOM 0 H CYS B 11 45.383 21.478 13.513 1.00 26.86 H new ATOM 0 HA CYS B 11 46.123 20.127 11.240 1.00 27.05 H new ATOM 0 HB2 CYS B 11 46.621 19.109 13.835 1.00 29.94 H new ATOM 0 HB3 CYS B 11 46.883 18.300 12.528 1.00 29.94 H new ATOM 619 N CYS B 12 44.311 18.349 11.559 1.00 26.16 N ATOM 620 CA CYS B 12 43.070 17.556 11.696 1.00 25.84 C ATOM 621 C CYS B 12 43.344 16.163 12.164 1.00 26.42 C ATOM 622 O CYS B 12 44.111 15.442 11.532 1.00 26.82 O ATOM 623 CB CYS B 12 42.418 17.474 10.326 1.00 28.36 C ATOM 624 SG CYS B 12 41.787 19.055 9.693 1.00 32.25 S ATOM 0 H CYS B 12 44.849 18.084 10.942 1.00 26.16 H new ATOM 0 HA CYS B 12 42.500 17.988 12.351 1.00 25.84 H new ATOM 0 HB2 CYS B 12 43.064 17.121 9.694 1.00 28.36 H new ATOM 0 HB3 CYS B 12 41.685 16.840 10.367 1.00 28.36 H new ATOM 625 N PHE B 13 42.671 15.719 13.222 1.00 25.93 N ATOM 626 CA PHE B 13 42.893 14.367 13.727 1.00 25.59 C ATOM 627 C PHE B 13 41.746 13.403 13.412 1.00 25.51 C ATOM 628 O PHE B 13 41.850 12.200 13.597 1.00 26.26 O ATOM 629 CB PHE B 13 43.112 14.411 15.237 1.00 26.21 C ATOM 630 CG PHE B 13 44.436 15.010 15.587 1.00 27.63 C ATOM 631 CD1 PHE B 13 44.539 16.285 16.030 1.00 32.45 C ATOM 632 CD2 PHE B 13 45.578 14.242 15.473 1.00 31.48 C ATOM 633 CE1 PHE B 13 45.817 16.845 16.299 1.00 28.56 C ATOM 634 CE2 PHE B 13 46.816 14.768 15.759 1.00 31.01 C ATOM 635 CZ PHE B 13 46.934 16.073 16.116 1.00 30.45 C ATOM 0 H PHE B 13 42.088 16.178 13.657 1.00 25.93 H new ATOM 0 HA PHE B 13 43.680 14.029 13.272 1.00 25.59 H new ATOM 0 HB2 PHE B 13 42.403 14.927 15.652 1.00 26.21 H new ATOM 0 HB3 PHE B 13 43.057 13.512 15.598 1.00 26.21 H new ATOM 0 HD1 PHE B 13 43.772 16.795 16.158 1.00 32.45 H new ATOM 0 HD2 PHE B 13 45.509 13.356 15.199 1.00 31.48 H new ATOM 0 HE1 PHE B 13 45.894 17.723 16.595 1.00 28.56 H new ATOM 0 HE2 PHE B 13 47.573 14.230 15.708 1.00 31.01 H new ATOM 0 HZ PHE B 13 47.778 16.445 16.237 1.00 30.45 H new ATOM 636 N THR B 14 40.614 14.000 13.026 1.00 27.24 N ATOM 637 CA THR B 14 39.431 13.227 12.608 1.00 28.06 C ATOM 638 C THR B 14 38.841 13.969 11.396 1.00 28.69 C ATOM 639 O THR B 14 39.059 15.182 11.246 1.00 31.25 O ATOM 640 CB THR B 14 38.388 13.185 13.720 1.00 28.34 C ATOM 641 OG1 THR B 14 37.929 14.512 13.983 1.00 32.27 O ATOM 642 CG2 THR B 14 38.966 12.622 14.956 1.00 31.77 C ATOM 0 H THR B 14 40.508 14.853 12.998 1.00 27.24 H new ATOM 0 HA THR B 14 39.678 12.313 12.398 1.00 28.06 H new ATOM 0 HB THR B 14 37.651 12.623 13.434 1.00 28.34 H new ATOM 0 HG1 THR B 14 37.090 14.531 13.947 1.00 32.27 H new ATOM 0 HG21 THR B 14 38.289 12.603 15.651 1.00 31.77 H new ATOM 0 HG22 THR B 14 39.279 11.720 14.785 1.00 31.77 H new ATOM 0 HG23 THR B 14 39.710 13.172 15.245 1.00 31.77 H new ATOM 643 N PHE B 15 38.158 13.235 10.519 1.00 28.43 N ATOM 644 CA PHE B 15 37.651 13.781 9.262 1.00 28.35 C ATOM 645 C PHE B 15 36.147 13.818 9.346 1.00 29.32 C ATOM 646 O PHE B 15 35.521 12.871 9.854 1.00 30.10 O ATOM 647 CB PHE B 15 38.064 12.873 8.080 1.00 28.50 C ATOM 648 CG PHE B 15 39.549 12.853 7.808 1.00 31.03 C ATOM 649 CD1 PHE B 15 40.249 14.043 7.585 1.00 31.94 C ATOM 650 CD2 PHE B 15 40.247 11.657 7.770 1.00 34.01 C ATOM 651 CE1 PHE B 15 41.615 14.012 7.313 1.00 34.50 C ATOM 652 CE2 PHE B 15 41.626 11.629 7.502 1.00 35.54 C ATOM 653 CZ PHE B 15 42.301 12.813 7.297 1.00 34.45 C ATOM 0 H PHE B 15 37.975 12.403 10.637 1.00 28.43 H new ATOM 0 HA PHE B 15 38.015 14.668 9.118 1.00 28.35 H new ATOM 0 HB2 PHE B 15 37.766 11.968 8.260 1.00 28.50 H new ATOM 0 HB3 PHE B 15 37.602 13.170 7.280 1.00 28.50 H new ATOM 0 HD1 PHE B 15 39.801 14.857 7.618 1.00 31.94 H new ATOM 0 HD2 PHE B 15 39.795 10.859 7.925 1.00 34.01 H new ATOM 0 HE1 PHE B 15 42.069 14.805 7.141 1.00 34.50 H new ATOM 0 HE2 PHE B 15 42.080 10.818 7.463 1.00 35.54 H new ATOM 0 HZ PHE B 15 43.219 12.805 7.148 1.00 34.45 H new ATOM 654 N SER B 16 35.555 14.861 8.781 1.00 30.32 N ATOM 655 CA SER B 16 34.100 15.002 8.771 1.00 29.47 C ATOM 656 C SER B 16 33.420 13.871 8.039 1.00 31.53 C ATOM 657 O SER B 16 33.845 13.492 6.934 1.00 31.62 O ATOM 658 CB SER B 16 33.725 16.296 8.062 1.00 27.04 C ATOM 659 OG SER B 16 34.184 17.408 8.817 1.00 27.29 O ATOM 0 H SER B 16 35.978 15.503 8.395 1.00 30.32 H new ATOM 0 HA SER B 16 33.808 14.998 9.696 1.00 29.47 H new ATOM 0 HB2 SER B 16 34.116 16.313 7.174 1.00 27.04 H new ATOM 0 HB3 SER B 16 32.763 16.346 7.949 1.00 27.04 H new ATOM 0 HG SER B 16 34.980 17.578 8.611 1.00 27.29 H new ATOM 660 N SER B 17 32.351 13.340 8.663 1.00 33.14 N ATOM 661 CA SER B 17 31.483 12.338 8.040 1.00 35.05 C ATOM 662 C SER B 17 30.341 12.927 7.200 1.00 36.41 C ATOM 663 O SER B 17 29.818 12.251 6.310 1.00 38.07 O ATOM 664 CB SER B 17 30.935 11.339 9.075 1.00 35.18 C ATOM 665 OG SER B 17 30.858 11.878 10.397 1.00 37.53 O ATOM 0 H SER B 17 32.115 13.556 9.461 1.00 33.14 H new ATOM 0 HA SER B 17 32.057 11.864 7.417 1.00 35.05 H new ATOM 0 HB2 SER B 17 30.051 11.049 8.799 1.00 35.18 H new ATOM 0 HB3 SER B 17 31.501 10.552 9.086 1.00 35.18 H new ATOM 0 HG SER B 17 30.553 11.296 10.920 1.00 37.53 H new ATOM 666 N LYS B 18 29.923 14.144 7.510 1.00 36.87 N ATOM 667 CA LYS B 18 28.898 14.806 6.723 1.00 37.96 C ATOM 668 C LYS B 18 29.524 15.445 5.506 1.00 36.98 C ATOM 669 O LYS B 18 30.457 16.235 5.640 1.00 37.56 O ATOM 670 CB LYS B 18 28.182 15.885 7.549 1.00 37.39 C ATOM 671 CG LYS B 18 27.099 16.647 6.774 1.00 40.62 C ATOM 672 CD LYS B 18 26.514 17.767 7.637 1.00 38.80 C ATOM 673 CE LYS B 18 25.261 18.390 6.990 1.00 43.24 C ATOM 674 NZ LYS B 18 24.617 19.340 7.952 1.00 43.74 N ATOM 0 H LYS B 18 30.220 14.604 8.173 1.00 36.87 H new ATOM 0 HA LYS B 18 28.247 14.140 6.450 1.00 37.96 H new ATOM 0 HB2 LYS B 18 27.778 15.469 8.327 1.00 37.39 H new ATOM 0 HB3 LYS B 18 28.840 16.519 7.876 1.00 37.39 H new ATOM 0 HG2 LYS B 18 27.476 17.020 5.962 1.00 40.62 H new ATOM 0 HG3 LYS B 18 26.395 16.036 6.505 1.00 40.62 H new ATOM 0 HD2 LYS B 18 26.286 17.416 8.512 1.00 38.80 H new ATOM 0 HD3 LYS B 18 27.184 18.455 7.773 1.00 38.80 H new ATOM 0 HE2 LYS B 18 25.505 18.856 6.175 1.00 43.24 H new ATOM 0 HE3 LYS B 18 24.634 17.693 6.741 1.00 43.24 H new ATOM 0 HZ1 LYS B 18 23.994 19.815 7.529 1.00 43.74 H new ATOM 0 HZ2 LYS B 18 24.240 18.881 8.615 1.00 43.74 H new ATOM 0 HZ3 LYS B 18 25.233 19.889 8.285 1.00 43.74 H new ATOM 675 N LYS B 19 29.022 15.129 4.325 1.00 36.59 N ATOM 676 CA LYS B 19 29.358 15.918 3.137 1.00 37.03 C ATOM 677 C LYS B 19 28.588 17.244 3.146 1.00 36.86 C ATOM 678 O LYS B 19 27.401 17.275 2.821 1.00 37.63 O ATOM 679 CB LYS B 19 29.069 15.121 1.864 1.00 37.80 C ATOM 680 CG LYS B 19 29.208 15.898 0.581 1.00 38.96 C ATOM 681 CD LYS B 19 29.013 14.985 -0.642 1.00 38.59 C ATOM 682 CE LYS B 19 28.310 15.764 -1.766 1.00 42.52 C ATOM 683 NZ LYS B 19 28.853 15.432 -3.099 1.00 46.29 N ATOM 0 H LYS B 19 28.489 14.469 4.183 1.00 36.59 H new ATOM 0 HA LYS B 19 30.307 16.119 3.153 1.00 37.03 H new ATOM 0 HB2 LYS B 19 29.669 14.360 1.832 1.00 37.80 H new ATOM 0 HB3 LYS B 19 28.167 14.769 1.917 1.00 37.80 H new ATOM 0 HG2 LYS B 19 28.555 16.615 0.561 1.00 38.96 H new ATOM 0 HG3 LYS B 19 30.084 16.312 0.543 1.00 38.96 H new ATOM 0 HD2 LYS B 19 29.872 14.658 -0.952 1.00 38.59 H new ATOM 0 HD3 LYS B 19 28.486 14.209 -0.396 1.00 38.59 H new ATOM 0 HE2 LYS B 19 27.360 15.568 -1.748 1.00 42.52 H new ATOM 0 HE3 LYS B 19 28.407 16.716 -1.607 1.00 42.52 H new ATOM 0 HZ1 LYS B 19 28.422 15.901 -3.721 1.00 46.29 H new ATOM 0 HZ2 LYS B 19 29.720 15.632 -3.125 1.00 46.29 H new ATOM 0 HZ3 LYS B 19 28.745 14.563 -3.256 1.00 46.29 H new ATOM 684 N ILE B 20 29.278 18.324 3.489 1.00 35.91 N ATOM 685 CA ILE B 20 28.696 19.670 3.536 1.00 34.94 C ATOM 686 C ILE B 20 28.311 20.121 2.129 1.00 33.44 C ATOM 687 O ILE B 20 28.956 19.740 1.156 1.00 33.01 O ATOM 688 CB ILE B 20 29.728 20.695 4.145 1.00 35.63 C ATOM 689 CG1 ILE B 20 29.141 22.119 4.182 1.00 37.85 C ATOM 690 CG2 ILE B 20 31.078 20.573 3.444 1.00 35.39 C ATOM 691 CD1 ILE B 20 29.949 23.103 5.101 1.00 36.42 C ATOM 0 H ILE B 20 30.110 18.301 3.705 1.00 35.91 H new ATOM 0 HA ILE B 20 27.905 19.642 4.097 1.00 34.94 H new ATOM 0 HB ILE B 20 29.899 20.475 5.074 1.00 35.63 H new ATOM 0 HG12 ILE B 20 29.117 22.475 3.280 1.00 37.85 H new ATOM 0 HG13 ILE B 20 28.224 22.075 4.494 1.00 37.85 H new ATOM 0 HG21 ILE B 20 31.701 21.209 3.829 1.00 35.39 H new ATOM 0 HG22 ILE B 20 31.422 19.673 3.559 1.00 35.39 H new ATOM 0 HG23 ILE B 20 30.970 20.759 2.498 1.00 35.39 H new ATOM 0 HD11 ILE B 20 29.532 23.979 5.083 1.00 36.42 H new ATOM 0 HD12 ILE B 20 29.954 22.766 6.011 1.00 36.42 H new ATOM 0 HD13 ILE B 20 30.861 23.173 4.778 1.00 36.42 H new ATOM 692 N SER B 21 27.277 20.940 2.028 1.00 31.29 N ATOM 693 CA SER B 21 26.931 21.602 0.791 1.00 31.00 C ATOM 694 C SER B 21 28.094 22.416 0.192 1.00 30.24 C ATOM 695 O SER B 21 28.715 23.246 0.861 1.00 28.51 O ATOM 696 CB SER B 21 25.696 22.481 1.027 1.00 32.00 C ATOM 697 OG SER B 21 25.462 23.284 -0.093 1.00 36.85 O ATOM 0 H SER B 21 26.753 21.127 2.684 1.00 31.29 H new ATOM 0 HA SER B 21 26.730 20.919 0.132 1.00 31.00 H new ATOM 0 HB2 SER B 21 24.922 21.924 1.203 1.00 32.00 H new ATOM 0 HB3 SER B 21 25.830 23.037 1.811 1.00 32.00 H new ATOM 0 HG SER B 21 24.686 23.144 -0.381 1.00 36.85 H new ATOM 698 N LEU B 22 28.380 22.223 -1.091 1.00 29.58 N ATOM 699 CA LEU B 22 29.427 23.021 -1.725 1.00 28.87 C ATOM 700 C LEU B 22 29.158 24.538 -1.685 1.00 28.44 C ATOM 701 O LEU B 22 30.103 25.340 -1.548 1.00 28.72 O ATOM 702 CB LEU B 22 29.662 22.537 -3.164 1.00 28.63 C ATOM 703 CG LEU B 22 30.781 23.220 -3.952 1.00 29.29 C ATOM 704 CD1 LEU B 22 32.173 22.994 -3.387 1.00 28.60 C ATOM 705 CD2 LEU B 22 30.686 22.697 -5.418 1.00 30.49 C ATOM 0 H LEU B 22 27.992 21.651 -1.602 1.00 29.58 H new ATOM 0 HA LEU B 22 30.234 22.886 -1.204 1.00 28.87 H new ATOM 0 HB2 LEU B 22 29.851 21.586 -3.135 1.00 28.63 H new ATOM 0 HB3 LEU B 22 28.835 22.647 -3.658 1.00 28.63 H new ATOM 0 HG LEU B 22 30.653 24.180 -3.897 1.00 29.29 H new ATOM 0 HD11 LEU B 22 32.825 23.456 -3.938 1.00 28.60 H new ATOM 0 HD12 LEU B 22 32.214 23.338 -2.481 1.00 28.60 H new ATOM 0 HD13 LEU B 22 32.370 22.044 -3.381 1.00 28.60 H new ATOM 0 HD21 LEU B 22 31.382 23.108 -5.954 1.00 30.49 H new ATOM 0 HD22 LEU B 22 30.799 21.734 -5.426 1.00 30.49 H new ATOM 0 HD23 LEU B 22 29.818 22.924 -5.787 1.00 30.49 H new ATOM 706 N GLN B 23 27.882 24.929 -1.753 1.00 27.19 N ATOM 707 CA GLN B 23 27.488 26.347 -1.730 1.00 27.87 C ATOM 708 C GLN B 23 27.912 27.048 -0.445 1.00 27.60 C ATOM 709 O GLN B 23 28.030 28.263 -0.425 1.00 29.74 O ATOM 710 CB AGLN B 23 25.989 26.522 -1.996 0.65 27.88 C ATOM 711 CB BGLN B 23 25.954 26.551 -1.908 0.35 27.39 C ATOM 712 CG AGLN B 23 25.574 27.942 -2.452 0.65 29.12 C ATOM 713 CG BGLN B 23 24.958 25.699 -1.021 0.35 26.24 C ATOM 714 CD AGLN B 23 25.478 28.940 -1.315 0.65 28.90 C ATOM 715 CD BGLN B 23 24.388 26.359 0.286 0.35 24.87 C ATOM 716 OE1AGLN B 23 25.146 28.576 -0.175 0.65 34.77 O ATOM 717 OE1BGLN B 23 24.322 27.683 0.349 0.35 23.45 O flip ATOM 718 NE2AGLN B 23 25.798 30.199 -1.602 0.65 29.45 N ATOM 719 NE2BGLN B 23 23.989 25.649 1.197 0.35 17.00 N flip ATOM 0 H GLN B 23 27.220 24.383 -1.814 1.00 27.19 H new ATOM 0 HA GLN B 23 27.967 26.778 -2.455 1.00 27.87 H new ATOM 0 HB2AGLN B 23 25.717 25.885 -2.675 0.65 27.39 H new ATOM 0 HB2BGLN B 23 25.762 27.488 -1.745 0.35 27.39 H new ATOM 0 HB3AGLN B 23 25.501 26.300 -1.187 0.65 27.39 H new ATOM 0 HB3BGLN B 23 25.741 26.375 -2.838 0.35 27.39 H new ATOM 0 HG2AGLN B 23 26.216 28.265 -3.103 0.65 26.24 H new ATOM 0 HG2BGLN B 23 24.206 25.445 -1.579 0.35 26.24 H new ATOM 0 HG3AGLN B 23 24.716 27.891 -2.901 0.65 26.24 H new ATOM 0 HG3BGLN B 23 25.412 24.880 -0.767 0.35 26.24 H new ATOM 0 HE21AGLN B 23 26.023 30.413 -2.404 0.65 17.00 H new ATOM 0 HE21BGLN B 23 24.043 24.793 1.131 0.35 17.00 H new ATOM 0 HE22AGLN B 23 25.780 30.798 -0.986 0.65 17.00 H new ATOM 0 HE22BGLN B 23 23.654 26.005 1.904 0.35 17.00 H new ATOM 720 N ARG B 24 28.121 26.290 0.635 1.00 26.50 N ATOM 721 CA ARG B 24 28.566 26.882 1.906 1.00 27.03 C ATOM 722 C ARG B 24 30.035 27.265 1.925 1.00 26.20 C ATOM 723 O ARG B 24 30.476 27.928 2.877 1.00 26.31 O ATOM 724 CB ARG B 24 28.282 25.929 3.073 1.00 26.59 C ATOM 725 CG ARG B 24 26.772 25.780 3.267 1.00 29.36 C ATOM 726 CD ARG B 24 26.295 24.804 4.331 1.00 31.12 C ATOM 727 NE ARG B 24 26.956 25.067 5.628 1.00 31.96 N ATOM 728 CZ ARG B 24 26.898 24.208 6.649 1.00 33.35 C ATOM 729 NH1 ARG B 24 26.202 23.087 6.538 1.00 34.11 N ATOM 730 NH2 ARG B 24 27.543 24.465 7.773 1.00 38.35 N ATOM 0 H ARG B 24 28.012 25.437 0.655 1.00 26.50 H new ATOM 0 HA ARG B 24 28.056 27.702 2.002 1.00 27.03 H new ATOM 0 HB2 ARG B 24 28.681 25.062 2.898 1.00 26.59 H new ATOM 0 HB3 ARG B 24 28.689 26.269 3.885 1.00 26.59 H new ATOM 0 HG2 ARG B 24 26.409 26.654 3.479 1.00 29.36 H new ATOM 0 HG3 ARG B 24 26.386 25.511 2.419 1.00 29.36 H new ATOM 0 HD2 ARG B 24 25.333 24.877 4.434 1.00 31.12 H new ATOM 0 HD3 ARG B 24 26.482 23.895 4.048 1.00 31.12 H new ATOM 0 HE ARG B 24 27.394 25.800 5.728 1.00 31.96 H new ATOM 0 HH11 ARG B 24 25.785 22.910 5.807 1.00 34.11 H new ATOM 0 HH12 ARG B 24 26.167 22.536 7.197 1.00 34.11 H new ATOM 0 HH21 ARG B 24 28.003 25.188 7.849 1.00 38.35 H new ATOM 0 HH22 ARG B 24 27.503 23.909 8.428 1.00 38.35 H new ATOM 731 N LEU B 25 30.805 26.752 0.954 1.00 26.20 N ATOM 732 CA LEU B 25 32.254 26.853 1.018 1.00 26.24 C ATOM 733 C LEU B 25 32.848 28.038 0.289 1.00 27.17 C ATOM 734 O LEU B 25 32.347 28.459 -0.751 1.00 27.46 O ATOM 735 CB LEU B 25 32.893 25.558 0.502 1.00 26.57 C ATOM 736 CG LEU B 25 32.395 24.336 1.264 1.00 24.63 C ATOM 737 CD1 LEU B 25 33.085 23.021 0.797 1.00 24.58 C ATOM 738 CD2 LEU B 25 32.543 24.538 2.801 1.00 25.21 C ATOM 0 H LEU B 25 30.503 26.346 0.259 1.00 26.20 H new ATOM 0 HA LEU B 25 32.458 26.995 1.956 1.00 26.24 H new ATOM 0 HB2 LEU B 25 32.694 25.453 -0.442 1.00 26.57 H new ATOM 0 HB3 LEU B 25 33.858 25.619 0.584 1.00 26.57 H new ATOM 0 HG LEU B 25 31.451 24.241 1.060 1.00 24.63 H new ATOM 0 HD11 LEU B 25 32.737 22.274 1.308 1.00 24.58 H new ATOM 0 HD12 LEU B 25 32.906 22.878 -0.146 1.00 24.58 H new ATOM 0 HD13 LEU B 25 34.042 23.090 0.937 1.00 24.58 H new ATOM 0 HD21 LEU B 25 32.220 23.749 3.264 1.00 25.21 H new ATOM 0 HD22 LEU B 25 33.477 24.682 3.020 1.00 25.21 H new ATOM 0 HD23 LEU B 25 32.024 25.309 3.078 1.00 25.21 H new ATOM 739 N LYS B 26 33.962 28.525 0.845 1.00 27.14 N ATOM 740 CA LYS B 26 34.679 29.707 0.350 1.00 29.24 C ATOM 741 C LYS B 26 36.032 29.253 -0.234 1.00 28.18 C ATOM 742 O LYS B 26 36.421 29.645 -1.348 1.00 27.49 O ATOM 743 CB LYS B 26 34.934 30.661 1.550 1.00 30.35 C ATOM 744 CG LYS B 26 35.481 32.032 1.207 1.00 34.79 C ATOM 745 CD LYS B 26 35.612 32.873 2.492 1.00 33.09 C ATOM 746 CE LYS B 26 36.692 33.935 2.369 1.00 41.95 C ATOM 747 NZ LYS B 26 36.375 35.148 3.201 1.00 45.65 N ATOM 0 H LYS B 26 34.330 28.169 1.536 1.00 27.14 H new ATOM 0 HA LYS B 26 34.162 30.161 -0.333 1.00 29.24 H new ATOM 0 HB2 LYS B 26 34.100 30.777 2.031 1.00 30.35 H new ATOM 0 HB3 LYS B 26 35.554 30.228 2.158 1.00 30.35 H new ATOM 0 HG2 LYS B 26 36.346 31.947 0.776 1.00 34.79 H new ATOM 0 HG3 LYS B 26 34.893 32.477 0.577 1.00 34.79 H new ATOM 0 HD2 LYS B 26 34.762 33.298 2.688 1.00 33.09 H new ATOM 0 HD3 LYS B 26 35.816 32.290 3.240 1.00 33.09 H new ATOM 0 HE2 LYS B 26 37.544 33.565 2.648 1.00 41.95 H new ATOM 0 HE3 LYS B 26 36.786 34.195 1.439 1.00 41.95 H new ATOM 0 HZ1 LYS B 26 36.486 35.882 2.710 1.00 45.65 H new ATOM 0 HZ2 LYS B 26 35.532 35.104 3.482 1.00 45.65 H new ATOM 0 HZ3 LYS B 26 36.920 35.177 3.904 1.00 45.65 H new ATOM 748 N SER B 27 36.747 28.392 0.501 1.00 25.41 N ATOM 749 CA SER B 27 38.120 28.058 0.098 1.00 24.99 C ATOM 750 C SER B 27 38.526 26.744 0.765 1.00 24.89 C ATOM 751 O SER B 27 37.783 26.178 1.599 1.00 23.84 O ATOM 752 CB SER B 27 39.061 29.196 0.525 1.00 26.54 C ATOM 753 OG SER B 27 38.948 29.337 1.897 1.00 31.05 O ATOM 0 H SER B 27 36.467 28.001 1.214 1.00 25.41 H new ATOM 0 HA SER B 27 38.175 27.953 -0.865 1.00 24.99 H new ATOM 0 HB2 SER B 27 39.977 28.993 0.277 1.00 26.54 H new ATOM 0 HB3 SER B 27 38.823 30.022 0.076 1.00 26.54 H new ATOM 0 HG SER B 27 39.455 29.954 2.158 1.00 31.05 H new ATOM 754 N TYR B 28 39.692 26.257 0.371 1.00 25.81 N ATOM 755 CA TYR B 28 40.335 25.188 1.137 1.00 25.08 C ATOM 756 C TYR B 28 41.852 25.332 1.199 1.00 24.99 C ATOM 757 O TYR B 28 42.458 26.032 0.378 1.00 24.15 O ATOM 758 CB TYR B 28 40.009 23.831 0.505 1.00 25.69 C ATOM 759 CG TYR B 28 40.864 23.495 -0.696 1.00 25.32 C ATOM 760 CD1 TYR B 28 42.051 22.771 -0.537 1.00 25.40 C ATOM 761 CD2 TYR B 28 40.514 23.908 -1.967 1.00 27.71 C ATOM 762 CE1 TYR B 28 42.854 22.461 -1.614 1.00 26.82 C ATOM 763 CE2 TYR B 28 41.347 23.612 -3.067 1.00 30.23 C ATOM 764 CZ TYR B 28 42.488 22.883 -2.872 1.00 29.69 C ATOM 765 OH TYR B 28 43.307 22.526 -3.944 1.00 30.79 O ATOM 0 H TYR B 28 40.125 26.522 -0.323 1.00 25.81 H new ATOM 0 HA TYR B 28 39.989 25.250 2.041 1.00 25.08 H new ATOM 0 HB2 TYR B 28 40.119 23.137 1.174 1.00 25.69 H new ATOM 0 HB3 TYR B 28 39.076 23.823 0.240 1.00 25.69 H new ATOM 0 HD1 TYR B 28 42.304 22.493 0.314 1.00 25.40 H new ATOM 0 HD2 TYR B 28 39.726 24.383 -2.098 1.00 27.71 H new ATOM 0 HE1 TYR B 28 43.635 21.972 -1.492 1.00 26.82 H new ATOM 0 HE2 TYR B 28 41.122 23.910 -3.919 1.00 30.23 H new ATOM 0 HH TYR B 28 42.987 22.835 -4.656 1.00 30.79 H new ATOM 766 N VAL B 29 42.444 24.680 2.219 1.00 25.07 N ATOM 767 CA VAL B 29 43.879 24.524 2.338 1.00 24.49 C ATOM 768 C VAL B 29 44.198 23.096 2.694 1.00 24.26 C ATOM 769 O VAL B 29 43.353 22.370 3.204 1.00 25.03 O ATOM 770 CB VAL B 29 44.518 25.452 3.409 1.00 26.30 C ATOM 771 CG1 VAL B 29 44.245 26.883 3.053 1.00 28.91 C ATOM 772 CG2 VAL B 29 43.964 25.124 4.799 1.00 24.63 C ATOM 0 H VAL B 29 42.004 24.317 2.862 1.00 25.07 H new ATOM 0 HA VAL B 29 44.254 24.772 1.479 1.00 24.49 H new ATOM 0 HB VAL B 29 45.477 25.308 3.428 1.00 26.30 H new ATOM 0 HG11 VAL B 29 44.643 27.464 3.720 1.00 28.91 H new ATOM 0 HG12 VAL B 29 44.628 27.079 2.184 1.00 28.91 H new ATOM 0 HG13 VAL B 29 43.287 27.033 3.025 1.00 28.91 H new ATOM 0 HG21 VAL B 29 44.371 25.710 5.456 1.00 24.63 H new ATOM 0 HG22 VAL B 29 43.003 25.253 4.803 1.00 24.63 H new ATOM 0 HG23 VAL B 29 44.167 24.201 5.019 1.00 24.63 H new ATOM 773 N ILE B 30 45.418 22.686 2.355 1.00 23.24 N ATOM 774 CA ILE B 30 45.911 21.428 2.864 1.00 23.26 C ATOM 775 C ILE B 30 46.692 21.749 4.149 1.00 26.23 C ATOM 776 O ILE B 30 47.411 22.758 4.232 1.00 27.01 O ATOM 777 CB ILE B 30 46.841 20.789 1.827 1.00 21.98 C ATOM 778 CG1 ILE B 30 46.128 20.569 0.500 1.00 26.24 C ATOM 779 CG2 ILE B 30 47.443 19.485 2.442 1.00 23.45 C ATOM 780 CD1 ILE B 30 44.912 19.651 0.635 1.00 26.80 C ATOM 0 H ILE B 30 45.959 23.115 1.843 1.00 23.24 H new ATOM 0 HA ILE B 30 45.188 20.808 3.045 1.00 23.26 H new ATOM 0 HB ILE B 30 47.575 21.387 1.616 1.00 21.98 H new ATOM 0 HG12 ILE B 30 45.845 21.425 0.142 1.00 26.24 H new ATOM 0 HG13 ILE B 30 46.750 20.186 -0.138 1.00 26.24 H new ATOM 0 HG21 ILE B 30 48.035 19.067 1.798 1.00 23.45 H new ATOM 0 HG22 ILE B 30 47.942 19.706 3.244 1.00 23.45 H new ATOM 0 HG23 ILE B 30 46.726 18.872 2.667 1.00 23.45 H new ATOM 0 HD11 ILE B 30 44.492 19.541 -0.232 1.00 26.80 H new ATOM 0 HD12 ILE B 30 45.195 18.786 0.969 1.00 26.80 H new ATOM 0 HD13 ILE B 30 44.277 20.044 1.254 1.00 26.80 H new ATOM 781 N THR B 31 46.580 20.912 5.152 1.00 24.15 N ATOM 782 CA THR B 31 47.308 21.197 6.409 1.00 25.01 C ATOM 783 C THR B 31 48.835 21.231 6.247 1.00 27.11 C ATOM 784 O THR B 31 49.374 20.565 5.382 1.00 25.28 O ATOM 785 CB THR B 31 46.862 20.257 7.543 1.00 24.15 C ATOM 786 OG1 THR B 31 46.936 18.891 7.122 1.00 25.68 O ATOM 787 CG2 THR B 31 45.439 20.602 7.917 1.00 27.28 C ATOM 0 H THR B 31 46.110 20.192 5.149 1.00 24.15 H new ATOM 0 HA THR B 31 47.062 22.101 6.661 1.00 25.01 H new ATOM 0 HB THR B 31 47.448 20.370 8.308 1.00 24.15 H new ATOM 0 HG1 THR B 31 47.704 18.731 6.823 1.00 25.68 H new ATOM 0 HG21 THR B 31 45.141 20.018 8.632 1.00 27.28 H new ATOM 0 HG22 THR B 31 45.397 21.524 8.215 1.00 27.28 H new ATOM 0 HG23 THR B 31 44.864 20.486 7.145 1.00 27.28 H new ATOM 788 N THR B 32 49.502 22.017 7.111 1.00 27.35 N ATOM 789 CA THR B 32 50.962 22.016 7.130 1.00 30.68 C ATOM 790 C THR B 32 51.619 20.618 7.244 1.00 29.63 C ATOM 791 O THR B 32 51.100 19.733 7.957 1.00 28.83 O ATOM 792 CB THR B 32 51.438 22.942 8.258 1.00 29.93 C ATOM 793 OG1 THR B 32 52.848 22.917 8.320 1.00 36.60 O ATOM 794 CG2 THR B 32 50.880 22.544 9.612 1.00 34.05 C ATOM 0 H THR B 32 49.130 22.545 7.680 1.00 27.35 H new ATOM 0 HA THR B 32 51.251 22.341 6.263 1.00 30.68 H new ATOM 0 HB THR B 32 51.114 23.833 8.055 1.00 29.93 H new ATOM 0 HG1 THR B 32 53.111 23.424 8.936 1.00 36.60 H new ATOM 0 HG21 THR B 32 51.208 23.156 10.290 1.00 34.05 H new ATOM 0 HG22 THR B 32 49.911 22.580 9.586 1.00 34.05 H new ATOM 0 HG23 THR B 32 51.164 21.642 9.827 1.00 34.05 H new ATOM 795 N SER B 33 52.746 20.396 6.561 1.00 31.15 N ATOM 796 CA SER B 33 53.385 19.107 6.671 1.00 31.16 C ATOM 797 C SER B 33 53.852 18.786 8.096 1.00 32.10 C ATOM 798 O SER B 33 54.241 17.659 8.378 1.00 33.40 O ATOM 799 CB ASER B 33 54.639 19.101 5.770 0.65 33.22 C ATOM 800 CB BSER B 33 54.512 18.889 5.644 0.35 31.61 C ATOM 801 OG ASER B 33 55.332 20.346 5.928 0.65 34.35 O ATOM 802 OG BSER B 33 55.756 18.845 6.299 0.35 27.83 O ATOM 0 H SER B 33 53.137 20.964 6.048 1.00 31.15 H new ATOM 0 HA SER B 33 52.728 18.444 6.408 1.00 31.16 H new ATOM 0 HB2ASER B 33 55.220 18.362 6.009 0.65 31.61 H new ATOM 0 HB2BSER B 33 54.363 18.062 5.160 0.35 31.61 H new ATOM 0 HB3ASER B 33 54.385 18.974 4.843 0.65 31.61 H new ATOM 0 HB3BSER B 33 54.507 19.605 4.990 0.35 31.61 H new ATOM 0 HG ASER B 33 56.017 20.349 5.442 0.65 27.83 H new ATOM 0 HG BSER B 33 56.366 18.725 5.734 0.35 27.83 H new ATOM 803 N ARG B 34 53.819 19.769 8.983 1.00 31.51 N ATOM 804 CA ARG B 34 54.187 19.489 10.388 1.00 32.79 C ATOM 805 C ARG B 34 53.159 18.582 11.079 1.00 30.65 C ATOM 806 O ARG B 34 53.466 17.892 12.077 1.00 28.99 O ATOM 807 CB ARG B 34 54.259 20.809 11.145 1.00 33.93 C ATOM 808 CG ARG B 34 55.469 21.590 10.750 1.00 40.45 C ATOM 809 CD ARG B 34 55.516 22.897 11.462 1.00 50.65 C ATOM 810 NE ARG B 34 56.836 23.493 11.272 1.00 56.66 N ATOM 811 CZ ARG B 34 57.093 24.778 11.448 1.00 57.96 C ATOM 812 NH1 ARG B 34 56.111 25.597 11.814 1.00 59.49 N ATOM 813 NH2 ARG B 34 58.316 25.236 11.239 1.00 57.89 N ATOM 0 H ARG B 34 53.596 20.582 8.813 1.00 31.51 H new ATOM 0 HA ARG B 34 55.043 19.032 10.391 1.00 32.79 H new ATOM 0 HB2 ARG B 34 53.461 21.331 10.967 1.00 33.93 H new ATOM 0 HB3 ARG B 34 54.279 20.637 12.099 1.00 33.93 H new ATOM 0 HG2 ARG B 34 56.268 21.079 10.952 1.00 40.45 H new ATOM 0 HG3 ARG B 34 55.463 21.740 9.792 1.00 40.45 H new ATOM 0 HD2 ARG B 34 54.828 23.490 11.121 1.00 50.65 H new ATOM 0 HD3 ARG B 34 55.338 22.771 12.407 1.00 50.65 H new ATOM 0 HE ARG B 34 57.482 22.979 11.032 1.00 56.66 H new ATOM 0 HH11 ARG B 34 55.317 25.289 11.934 1.00 59.49 H new ATOM 0 HH12 ARG B 34 56.270 26.434 11.931 1.00 59.49 H new ATOM 0 HH21 ARG B 34 58.940 24.699 10.990 1.00 57.89 H new ATOM 0 HH22 ARG B 34 58.488 26.071 11.352 1.00 57.89 H new ATOM 814 N CYS B 35 51.925 18.601 10.560 1.00 29.25 N ATOM 815 CA CYS B 35 50.839 17.795 11.156 1.00 28.09 C ATOM 816 C CYS B 35 51.122 16.337 10.957 1.00 27.78 C ATOM 817 O CYS B 35 51.643 15.988 9.884 1.00 28.20 O ATOM 818 CB CYS B 35 49.524 18.113 10.478 1.00 27.43 C ATOM 819 SG CYS B 35 48.966 19.797 10.824 1.00 30.33 S ATOM 0 H CYS B 35 51.694 19.065 9.874 1.00 29.25 H new ATOM 0 HA CYS B 35 50.786 18.004 12.102 1.00 28.09 H new ATOM 0 HB2 CYS B 35 49.620 17.996 9.520 1.00 27.43 H new ATOM 0 HB3 CYS B 35 48.849 17.483 10.774 1.00 27.43 H new ATOM 820 N PRO B 36 50.760 15.464 11.913 1.00 27.91 N ATOM 821 CA PRO B 36 50.991 14.004 11.708 1.00 28.51 C ATOM 822 C PRO B 36 50.141 13.246 10.661 1.00 27.84 C ATOM 823 O PRO B 36 50.399 12.089 10.386 1.00 26.27 O ATOM 824 CB PRO B 36 50.820 13.416 13.119 1.00 30.33 C ATOM 825 CG PRO B 36 49.992 14.373 13.846 1.00 29.71 C ATOM 826 CD PRO B 36 50.210 15.738 13.268 1.00 28.56 C ATOM 0 HA PRO B 36 51.865 13.890 11.303 1.00 28.51 H new ATOM 0 HB2 PRO B 36 50.396 12.544 13.084 1.00 30.33 H new ATOM 0 HB3 PRO B 36 51.679 13.297 13.554 1.00 30.33 H new ATOM 0 HG2 PRO B 36 49.056 14.126 13.780 1.00 29.71 H new ATOM 0 HG3 PRO B 36 50.221 14.367 14.789 1.00 29.71 H new ATOM 0 HD2 PRO B 36 49.382 16.242 13.221 1.00 28.56 H new ATOM 0 HD3 PRO B 36 50.828 16.258 13.805 1.00 28.56 H new ATOM 827 N GLN B 37 49.109 13.875 10.096 1.00 27.57 N ATOM 828 CA GLN B 37 48.369 13.290 8.969 1.00 28.84 C ATOM 829 C GLN B 37 47.890 14.370 8.009 1.00 27.93 C ATOM 830 O GLN B 37 47.557 15.496 8.445 1.00 29.45 O ATOM 831 CB GLN B 37 47.209 12.394 9.438 1.00 30.53 C ATOM 832 CG GLN B 37 45.877 13.082 9.816 1.00 32.36 C ATOM 833 CD GLN B 37 44.701 12.079 10.042 1.00 33.37 C ATOM 834 OE1 GLN B 37 44.811 10.873 9.777 1.00 37.94 O ATOM 835 NE2 GLN B 37 43.559 12.604 10.492 1.00 34.85 N ATOM 0 H GLN B 37 48.819 14.644 10.350 1.00 27.57 H new ATOM 0 HA GLN B 37 48.986 12.717 8.488 1.00 28.84 H new ATOM 0 HB2 GLN B 37 47.024 11.752 8.734 1.00 30.53 H new ATOM 0 HB3 GLN B 37 47.514 11.890 10.209 1.00 30.53 H new ATOM 0 HG2 GLN B 37 46.008 13.603 10.624 1.00 32.36 H new ATOM 0 HG3 GLN B 37 45.632 13.704 9.113 1.00 32.36 H new ATOM 0 HE21 GLN B 37 43.512 13.445 10.668 1.00 34.85 H new ATOM 0 HE22 GLN B 37 42.870 12.102 10.606 1.00 34.85 H new ATOM 836 N LYS B 38 47.755 14.003 6.738 1.00 24.91 N ATOM 837 CA LYS B 38 47.382 14.987 5.746 1.00 24.99 C ATOM 838 C LYS B 38 45.865 15.205 5.765 1.00 25.13 C ATOM 839 O LYS B 38 45.079 14.217 5.709 1.00 25.13 O ATOM 840 CB LYS B 38 47.805 14.479 4.352 1.00 25.10 C ATOM 841 CG LYS B 38 47.521 15.466 3.183 1.00 26.67 C ATOM 842 CD LYS B 38 48.106 14.923 1.864 1.00 26.86 C ATOM 843 CE LYS B 38 47.616 15.720 0.679 1.00 32.51 C ATOM 844 NZ LYS B 38 48.251 15.209 -0.633 1.00 33.77 N ATOM 0 H LYS B 38 47.873 13.205 6.440 1.00 24.91 H new ATOM 0 HA LYS B 38 47.825 15.827 5.945 1.00 24.99 H new ATOM 0 HB2 LYS B 38 48.755 14.282 4.368 1.00 25.10 H new ATOM 0 HB3 LYS B 38 47.345 13.644 4.173 1.00 25.10 H new ATOM 0 HG2 LYS B 38 46.565 15.598 3.089 1.00 26.67 H new ATOM 0 HG3 LYS B 38 47.909 16.333 3.383 1.00 26.67 H new ATOM 0 HD2 LYS B 38 49.075 14.955 1.900 1.00 26.86 H new ATOM 0 HD3 LYS B 38 47.857 13.992 1.756 1.00 26.86 H new ATOM 0 HE2 LYS B 38 46.650 15.658 0.620 1.00 32.51 H new ATOM 0 HE3 LYS B 38 47.833 16.657 0.803 1.00 32.51 H new ATOM 0 HZ1 LYS B 38 47.949 15.692 -1.317 1.00 33.77 H new ATOM 0 HZ2 LYS B 38 49.136 15.286 -0.584 1.00 33.77 H new ATOM 0 HZ3 LYS B 38 48.034 14.354 -0.755 1.00 33.77 H new ATOM 845 N ALA B 39 45.467 16.468 5.710 1.00 24.82 N ATOM 846 CA ALA B 39 44.043 16.767 5.697 1.00 23.79 C ATOM 847 C ALA B 39 43.754 17.978 4.847 1.00 24.49 C ATOM 848 O ALA B 39 44.619 18.812 4.609 1.00 24.13 O ATOM 849 CB ALA B 39 43.578 16.962 7.114 1.00 26.71 C ATOM 0 H ALA B 39 45.989 17.151 5.680 1.00 24.82 H new ATOM 0 HA ALA B 39 43.557 16.026 5.303 1.00 23.79 H new ATOM 0 HB1 ALA B 39 42.629 17.162 7.119 1.00 26.71 H new ATOM 0 HB2 ALA B 39 43.740 16.152 7.622 1.00 26.71 H new ATOM 0 HB3 ALA B 39 44.065 17.698 7.516 1.00 26.71 H new ATOM 850 N VAL B 40 42.507 18.046 4.409 1.00 23.07 N ATOM 851 CA VAL B 40 41.998 19.252 3.795 1.00 24.03 C ATOM 852 C VAL B 40 41.191 20.002 4.834 1.00 25.40 C ATOM 853 O VAL B 40 40.438 19.391 5.627 1.00 25.31 O ATOM 854 CB VAL B 40 41.048 18.840 2.611 1.00 21.40 C ATOM 855 CG1 VAL B 40 40.365 20.066 2.047 1.00 24.78 C ATOM 856 CG2 VAL B 40 41.851 18.174 1.568 1.00 27.94 C ATOM 0 H VAL B 40 41.940 17.401 4.459 1.00 23.07 H new ATOM 0 HA VAL B 40 42.722 19.806 3.465 1.00 24.03 H new ATOM 0 HB VAL B 40 40.365 18.231 2.932 1.00 21.40 H new ATOM 0 HG11 VAL B 40 39.781 19.805 1.318 1.00 24.78 H new ATOM 0 HG12 VAL B 40 39.841 20.494 2.743 1.00 24.78 H new ATOM 0 HG13 VAL B 40 41.034 20.687 1.718 1.00 24.78 H new ATOM 0 HG21 VAL B 40 41.275 17.915 0.832 1.00 27.94 H new ATOM 0 HG22 VAL B 40 42.533 18.784 1.245 1.00 27.94 H new ATOM 0 HG23 VAL B 40 42.274 17.384 1.940 1.00 27.94 H new ATOM 857 N ILE B 41 41.352 21.328 4.910 1.00 23.73 N ATOM 858 CA ILE B 41 40.433 22.131 5.760 1.00 24.00 C ATOM 859 C ILE B 41 39.665 23.001 4.781 1.00 25.25 C ATOM 860 O ILE B 41 40.263 23.791 4.074 1.00 24.37 O ATOM 861 CB ILE B 41 41.234 22.993 6.712 1.00 24.67 C ATOM 862 CG1 ILE B 41 41.876 22.101 7.780 1.00 24.80 C ATOM 863 CG2 ILE B 41 40.297 23.985 7.432 1.00 26.36 C ATOM 864 CD1 ILE B 41 42.825 22.961 8.710 1.00 27.14 C ATOM 0 H ILE B 41 41.960 21.776 4.498 1.00 23.73 H new ATOM 0 HA ILE B 41 39.845 21.579 6.299 1.00 24.00 H new ATOM 0 HB ILE B 41 41.910 23.472 6.208 1.00 24.67 H new ATOM 0 HG12 ILE B 41 41.186 21.677 8.314 1.00 24.80 H new ATOM 0 HG13 ILE B 41 42.384 21.391 7.356 1.00 24.80 H new ATOM 0 HG21 ILE B 41 40.814 24.535 8.041 1.00 26.36 H new ATOM 0 HG22 ILE B 41 39.860 24.551 6.777 1.00 26.36 H new ATOM 0 HG23 ILE B 41 39.627 23.493 7.932 1.00 26.36 H new ATOM 0 HD11 ILE B 41 43.226 22.388 9.382 1.00 27.14 H new ATOM 0 HD12 ILE B 41 43.524 23.367 8.173 1.00 27.14 H new ATOM 0 HD13 ILE B 41 42.308 23.656 9.146 1.00 27.14 H new ATOM 865 N PHE B 42 38.345 22.855 4.762 1.00 25.77 N ATOM 866 CA PHE B 42 37.469 23.760 4.011 1.00 26.41 C ATOM 867 C PHE B 42 37.078 24.917 4.918 1.00 26.91 C ATOM 868 O PHE B 42 36.838 24.726 6.128 1.00 27.67 O ATOM 869 CB PHE B 42 36.193 23.006 3.610 1.00 25.34 C ATOM 870 CG PHE B 42 36.420 21.945 2.560 1.00 26.38 C ATOM 871 CD1 PHE B 42 36.824 22.311 1.265 1.00 25.10 C ATOM 872 CD2 PHE B 42 36.163 20.585 2.826 1.00 27.50 C ATOM 873 CE1 PHE B 42 37.035 21.340 0.290 1.00 26.52 C ATOM 874 CE2 PHE B 42 36.393 19.607 1.860 1.00 29.89 C ATOM 875 CZ PHE B 42 36.799 19.960 0.581 1.00 28.21 C ATOM 0 H PHE B 42 37.929 22.231 5.182 1.00 25.77 H new ATOM 0 HA PHE B 42 37.927 24.085 3.220 1.00 26.41 H new ATOM 0 HB2 PHE B 42 35.810 22.592 4.399 1.00 25.34 H new ATOM 0 HB3 PHE B 42 35.541 23.643 3.279 1.00 25.34 H new ATOM 0 HD1 PHE B 42 36.951 23.209 1.058 1.00 25.10 H new ATOM 0 HD2 PHE B 42 35.835 20.336 3.660 1.00 27.50 H new ATOM 0 HE1 PHE B 42 37.331 21.590 -0.555 1.00 26.52 H new ATOM 0 HE2 PHE B 42 36.273 18.710 2.075 1.00 29.89 H new ATOM 0 HZ PHE B 42 36.915 19.311 -0.075 1.00 28.21 H new ATOM 876 N ARG B 43 36.982 26.127 4.338 1.00 27.44 N ATOM 877 CA ARG B 43 36.593 27.298 5.115 1.00 28.19 C ATOM 878 C ARG B 43 35.227 27.696 4.585 1.00 28.14 C ATOM 879 O ARG B 43 35.070 27.821 3.364 1.00 27.23 O ATOM 880 CB AARG B 43 37.600 28.429 4.939 0.65 28.40 C ATOM 881 CB BARG B 43 37.609 28.430 4.891 0.35 27.83 C ATOM 882 CG AARG B 43 37.265 29.627 5.838 0.65 32.01 C ATOM 883 CG BARG B 43 37.074 29.847 5.165 0.35 28.95 C ATOM 884 CD AARG B 43 38.493 30.126 6.614 0.65 34.79 C ATOM 885 CD BARG B 43 38.167 30.802 5.645 0.35 27.07 C ATOM 886 NE AARG B 43 37.994 31.020 7.652 0.65 36.43 N ATOM 887 NE BARG B 43 37.615 32.133 5.903 0.35 30.39 N ATOM 888 CZ AARG B 43 38.434 31.118 8.900 0.65 36.25 C ATOM 889 CZ BARG B 43 37.974 32.929 6.905 0.35 33.33 C ATOM 890 NH1AARG B 43 39.473 30.410 9.358 0.65 38.61 N ATOM 891 NH1BARG B 43 38.897 32.547 7.791 0.35 34.35 N ATOM 892 NH2AARG B 43 37.792 31.949 9.704 0.65 39.75 N ATOM 893 NH2BARG B 43 37.392 34.111 7.032 0.35 34.20 N ATOM 0 H ARG B 43 37.137 26.281 3.506 1.00 27.44 H new ATOM 0 HA ARG B 43 36.567 27.106 6.066 1.00 28.19 H new ATOM 0 HB2AARG B 43 38.491 28.106 5.147 0.65 27.83 H new ATOM 0 HB2BARG B 43 38.378 28.273 5.461 0.35 27.83 H new ATOM 0 HB3AARG B 43 37.611 28.712 4.011 0.65 27.83 H new ATOM 0 HB3BARG B 43 37.922 28.389 3.974 0.35 27.83 H new ATOM 0 HG2AARG B 43 36.911 30.349 5.295 0.65 28.95 H new ATOM 0 HG2BARG B 43 36.672 30.200 4.356 0.35 28.95 H new ATOM 0 HG3AARG B 43 36.568 29.375 6.464 0.65 28.95 H new ATOM 0 HG3BARG B 43 36.372 29.801 5.833 0.35 28.95 H new ATOM 0 HD2AARG B 43 38.980 29.383 7.004 0.65 27.07 H new ATOM 0 HD2BARG B 43 38.575 30.454 6.453 0.35 27.07 H new ATOM 0 HD3AARG B 43 39.108 30.591 6.025 0.65 27.07 H new ATOM 0 HD3BARG B 43 38.867 30.861 4.977 0.35 27.07 H new ATOM 0 HE AARG B 43 37.345 31.539 7.432 0.65 30.39 H new ATOM 0 HE BARG B 43 37.011 32.423 5.364 0.35 30.39 H new ATOM 0 HH11AARG B 43 39.885 29.864 8.836 0.65 34.35 H new ATOM 0 HH11BARG B 43 39.269 31.775 7.718 0.35 34.35 H new ATOM 0 HH12AARG B 43 39.729 30.501 10.174 0.65 34.35 H new ATOM 0 HH12BARG B 43 39.119 33.073 8.434 0.35 34.35 H new ATOM 0 HH21AARG B 43 37.120 32.398 9.411 0.65 34.20 H new ATOM 0 HH21BARG B 43 36.789 34.356 6.470 0.35 34.20 H new ATOM 0 HH22AARG B 43 38.047 32.040 10.520 0.65 34.20 H new ATOM 0 HH22BARG B 43 37.617 34.634 7.677 0.35 34.20 H new ATOM 894 N THR B 44 34.206 27.772 5.451 1.00 26.69 N ATOM 895 CA THR B 44 32.863 28.120 4.915 1.00 26.77 C ATOM 896 C THR B 44 32.761 29.626 4.793 1.00 26.22 C ATOM 897 O THR B 44 33.555 30.360 5.420 1.00 26.46 O ATOM 898 CB THR B 44 31.722 27.654 5.848 1.00 29.34 C ATOM 899 OG1 THR B 44 31.696 28.473 7.050 1.00 28.45 O ATOM 900 CG2 THR B 44 31.966 26.180 6.304 1.00 27.75 C ATOM 0 H THR B 44 34.253 27.637 6.299 1.00 26.69 H new ATOM 0 HA THR B 44 32.768 27.675 4.058 1.00 26.77 H new ATOM 0 HB THR B 44 30.888 27.729 5.358 1.00 29.34 H new ATOM 0 HG1 THR B 44 30.962 28.879 7.097 1.00 28.45 H new ATOM 0 HG21 THR B 44 31.245 25.898 6.888 1.00 27.75 H new ATOM 0 HG22 THR B 44 31.996 25.601 5.526 1.00 27.75 H new ATOM 0 HG23 THR B 44 32.809 26.124 6.781 1.00 27.75 H new ATOM 901 N LYS B 45 31.756 30.078 4.050 1.00 26.17 N ATOM 902 CA LYS B 45 31.497 31.495 3.864 1.00 27.70 C ATOM 903 C LYS B 45 31.241 32.195 5.175 1.00 28.21 C ATOM 904 O LYS B 45 31.429 33.430 5.262 1.00 30.77 O ATOM 905 CB LYS B 45 30.329 31.682 2.915 1.00 28.26 C ATOM 906 CG LYS B 45 30.736 31.399 1.468 1.00 27.93 C ATOM 907 CD LYS B 45 29.545 31.522 0.556 1.00 32.21 C ATOM 908 CE LYS B 45 29.936 31.166 -0.832 1.00 33.35 C ATOM 909 NZ LYS B 45 28.694 31.050 -1.523 1.00 33.91 N ATOM 0 H LYS B 45 31.203 29.565 3.638 1.00 26.17 H new ATOM 0 HA LYS B 45 32.290 31.899 3.477 1.00 27.70 H new ATOM 0 HB2 LYS B 45 29.604 31.090 3.171 1.00 28.26 H new ATOM 0 HB3 LYS B 45 29.993 32.589 2.987 1.00 28.26 H new ATOM 0 HG2 LYS B 45 31.428 32.021 1.193 1.00 27.93 H new ATOM 0 HG3 LYS B 45 31.113 30.508 1.400 1.00 27.93 H new ATOM 0 HD2 LYS B 45 28.832 30.938 0.860 1.00 32.21 H new ATOM 0 HD3 LYS B 45 29.200 32.428 0.581 1.00 32.21 H new ATOM 0 HE2 LYS B 45 30.500 31.849 -1.228 1.00 33.35 H new ATOM 0 HE3 LYS B 45 30.436 30.335 -0.858 1.00 33.35 H new ATOM 0 HZ1 LYS B 45 28.825 31.183 -2.393 1.00 33.91 H new ATOM 0 HZ2 LYS B 45 28.358 30.236 -1.395 1.00 33.91 H new ATOM 0 HZ3 LYS B 45 28.123 31.658 -1.213 1.00 33.91 H new ATOM 910 N LEU B 46 30.776 31.458 6.182 1.00 25.60 N ATOM 911 CA LEU B 46 30.565 32.087 7.489 1.00 25.34 C ATOM 912 C LEU B 46 31.770 31.936 8.427 1.00 27.43 C ATOM 913 O LEU B 46 31.674 32.282 9.620 1.00 29.46 O ATOM 914 CB LEU B 46 29.340 31.512 8.150 1.00 25.84 C ATOM 915 CG LEU B 46 28.039 31.739 7.346 1.00 24.54 C ATOM 916 CD1 LEU B 46 26.918 31.346 8.241 1.00 24.93 C ATOM 917 CD2 LEU B 46 27.821 33.159 6.855 1.00 25.00 C ATOM 0 H LEU B 46 30.582 30.621 6.136 1.00 25.60 H new ATOM 0 HA LEU B 46 30.444 33.035 7.324 1.00 25.34 H new ATOM 0 HB2 LEU B 46 29.469 30.559 8.280 1.00 25.84 H new ATOM 0 HB3 LEU B 46 29.241 31.908 9.030 1.00 25.84 H new ATOM 0 HG LEU B 46 28.096 31.207 6.537 1.00 24.54 H new ATOM 0 HD11 LEU B 46 26.075 31.472 7.778 1.00 24.93 H new ATOM 0 HD12 LEU B 46 27.014 30.413 8.490 1.00 24.93 H new ATOM 0 HD13 LEU B 46 26.933 31.896 9.040 1.00 24.93 H new ATOM 0 HD21 LEU B 46 26.986 33.207 6.364 1.00 25.00 H new ATOM 0 HD22 LEU B 46 27.785 33.762 7.614 1.00 25.00 H new ATOM 0 HD23 LEU B 46 28.553 33.416 6.273 1.00 25.00 H new ATOM 918 N GLY B 47 32.867 31.432 7.891 1.00 26.25 N ATOM 919 CA GLY B 47 34.165 31.353 8.666 1.00 28.38 C ATOM 920 C GLY B 47 34.477 30.089 9.438 1.00 30.19 C ATOM 921 O GLY B 47 35.516 30.053 10.133 1.00 32.48 O ATOM 0 H GLY B 47 32.912 31.125 7.089 1.00 26.25 H new ATOM 0 HA2 GLY B 47 34.891 31.501 8.040 1.00 28.38 H new ATOM 0 HA3 GLY B 47 34.177 32.092 9.295 1.00 28.38 H new ATOM 922 N LYS B 48 33.676 29.030 9.295 1.00 29.14 N ATOM 923 CA LYS B 48 33.887 27.803 10.073 1.00 28.69 C ATOM 924 C LYS B 48 34.972 27.026 9.320 1.00 28.28 C ATOM 925 O LYS B 48 34.977 27.054 8.095 1.00 29.40 O ATOM 926 CB LYS B 48 32.575 26.982 10.119 1.00 31.01 C ATOM 927 CG LYS B 48 32.608 25.703 11.022 1.00 34.13 C ATOM 928 CD LYS B 48 31.248 24.890 11.045 1.00 31.66 C ATOM 929 CE LYS B 48 30.235 25.473 12.029 1.00 35.60 C ATOM 930 NZ LYS B 48 29.011 24.622 11.981 1.00 30.82 N ATOM 0 H LYS B 48 33.007 29.001 8.755 1.00 29.14 H new ATOM 0 HA LYS B 48 34.148 27.989 10.988 1.00 28.69 H new ATOM 0 HB2 LYS B 48 31.861 27.560 10.431 1.00 31.01 H new ATOM 0 HB3 LYS B 48 32.348 26.714 9.215 1.00 31.01 H new ATOM 0 HG2 LYS B 48 33.317 25.119 10.712 1.00 34.13 H new ATOM 0 HG3 LYS B 48 32.832 25.965 11.929 1.00 34.13 H new ATOM 0 HD2 LYS B 48 30.863 24.884 10.155 1.00 31.66 H new ATOM 0 HD3 LYS B 48 31.430 23.967 11.282 1.00 31.66 H new ATOM 0 HE2 LYS B 48 30.603 25.489 12.926 1.00 35.60 H new ATOM 0 HE3 LYS B 48 30.021 26.389 11.794 1.00 35.60 H new ATOM 0 HZ1 LYS B 48 28.339 25.045 12.383 1.00 30.82 H new ATOM 0 HZ2 LYS B 48 28.794 24.461 11.133 1.00 30.82 H new ATOM 0 HZ3 LYS B 48 29.168 23.852 12.398 1.00 30.82 H new ATOM 931 N GLU B 49 35.797 26.294 10.034 1.00 28.31 N ATOM 932 CA GLU B 49 36.821 25.439 9.386 1.00 27.87 C ATOM 933 C GLU B 49 36.341 23.992 9.556 1.00 29.22 C ATOM 934 O GLU B 49 35.983 23.595 10.678 1.00 29.37 O ATOM 935 CB GLU B 49 38.165 25.569 10.109 1.00 30.18 C ATOM 936 CG GLU B 49 38.818 26.934 9.902 1.00 32.50 C ATOM 937 CD GLU B 49 40.030 27.197 10.823 1.00 37.28 C ATOM 938 OE1 GLU B 49 40.441 26.307 11.611 1.00 46.14 O ATOM 939 OE2 GLU B 49 40.552 28.328 10.731 1.00 48.44 O ATOM 0 H GLU B 49 35.797 26.264 10.893 1.00 28.31 H new ATOM 0 HA GLU B 49 36.936 25.696 8.458 1.00 27.87 H new ATOM 0 HB2 GLU B 49 38.033 25.419 11.058 1.00 30.18 H new ATOM 0 HB3 GLU B 49 38.766 24.876 9.793 1.00 30.18 H new ATOM 0 HG2 GLU B 49 39.103 27.009 8.978 1.00 32.50 H new ATOM 0 HG3 GLU B 49 38.154 27.626 10.051 1.00 32.50 H new ATOM 940 N ILE B 50 36.338 23.221 8.469 1.00 25.48 N ATOM 941 CA ILE B 50 35.870 21.816 8.466 1.00 27.79 C ATOM 942 C ILE B 50 37.002 20.874 8.027 1.00 27.09 C ATOM 943 O ILE B 50 37.532 21.073 6.949 1.00 29.23 O ATOM 944 CB ILE B 50 34.729 21.716 7.410 1.00 28.80 C ATOM 945 CG1AILE B 50 33.445 22.231 8.054 0.50 29.82 C ATOM 946 CG1BILE B 50 33.704 22.803 7.720 0.50 30.34 C ATOM 947 CG2AILE B 50 34.480 20.281 6.946 0.50 30.91 C ATOM 948 CG2BILE B 50 34.065 20.334 7.391 0.50 30.12 C ATOM 949 CD1AILE B 50 32.406 22.648 7.041 0.50 25.25 C ATOM 950 CD1BILE B 50 33.184 22.680 9.146 0.50 32.08 C ATOM 0 H ILE B 50 36.609 23.494 7.700 1.00 25.48 H new ATOM 0 HA ILE B 50 35.574 21.565 9.355 1.00 27.79 H new ATOM 0 HB AILE B 50 34.993 22.238 6.636 0.50 28.80 H new ATOM 0 HB BILE B 50 35.108 21.843 6.526 0.50 28.80 H new ATOM 0 HG12AILE B 50 33.075 21.539 8.624 0.50 30.34 H new ATOM 0 HG12BILE B 50 34.107 23.676 7.594 0.50 30.34 H new ATOM 0 HG13AILE B 50 33.655 22.987 8.625 0.50 30.34 H new ATOM 0 HG13BILE B 50 32.964 22.740 7.097 0.50 30.34 H new ATOM 0 HG21AILE B 50 33.764 20.272 6.292 0.50 30.12 H new ATOM 0 HG21BILE B 50 33.364 20.321 6.721 0.50 30.12 H new ATOM 0 HG22AILE B 50 35.288 19.926 6.545 0.50 30.12 H new ATOM 0 HG22BILE B 50 34.728 19.659 7.178 0.50 30.12 H new ATOM 0 HG23AILE B 50 34.230 19.734 7.707 0.50 30.12 H new ATOM 0 HG23BILE B 50 33.682 20.147 8.262 0.50 30.12 H new ATOM 0 HD11AILE B 50 31.614 22.966 7.502 0.50 32.08 H new ATOM 0 HD11BILE B 50 32.536 23.381 9.316 0.50 32.08 H new ATOM 0 HD12AILE B 50 32.763 23.358 6.485 0.50 32.08 H new ATOM 0 HD12BILE B 50 32.762 21.815 9.263 0.50 32.08 H new ATOM 0 HD13AILE B 50 32.173 21.888 6.485 0.50 32.08 H new ATOM 0 HD13BILE B 50 33.923 22.766 9.769 0.50 32.08 H new ATOM 951 N CYS B 51 37.244 19.812 8.789 1.00 26.37 N ATOM 952 CA CYS B 51 38.309 18.843 8.395 1.00 25.78 C ATOM 953 C CYS B 51 37.715 17.868 7.394 1.00 24.88 C ATOM 954 O CYS B 51 36.628 17.310 7.644 1.00 25.67 O ATOM 955 CB CYS B 51 38.795 18.066 9.604 1.00 28.05 C ATOM 956 SG CYS B 51 39.836 19.113 10.671 1.00 35.31 S ATOM 0 H CYS B 51 36.827 19.624 9.517 1.00 26.37 H new ATOM 0 HA CYS B 51 39.058 19.325 8.011 1.00 25.78 H new ATOM 0 HB2 CYS B 51 38.035 17.737 10.109 1.00 28.05 H new ATOM 0 HB3 CYS B 51 39.300 17.290 9.314 1.00 28.05 H new ATOM 957 N ALA B 52 38.480 17.519 6.355 1.00 23.55 N ATOM 958 CA ALA B 52 37.988 16.529 5.370 1.00 24.23 C ATOM 959 C ALA B 52 39.155 15.677 4.838 1.00 26.16 C ATOM 960 O ALA B 52 40.317 16.133 4.797 1.00 25.59 O ATOM 961 CB ALA B 52 37.304 17.252 4.213 1.00 25.64 C ATOM 0 H ALA B 52 39.266 17.830 6.199 1.00 23.55 H new ATOM 0 HA ALA B 52 37.349 15.943 5.806 1.00 24.23 H new ATOM 0 HB1 ALA B 52 36.983 16.601 3.569 1.00 25.64 H new ATOM 0 HB2 ALA B 52 36.556 17.769 4.551 1.00 25.64 H new ATOM 0 HB3 ALA B 52 37.938 17.846 3.782 1.00 25.64 H new ATOM 962 N ASP B 53 38.810 14.469 4.437 1.00 24.79 N ATOM 963 CA ASP B 53 39.803 13.415 4.054 1.00 26.75 C ATOM 964 C ASP B 53 40.162 13.592 2.601 1.00 26.24 C ATOM 965 O ASP B 53 39.328 13.444 1.739 1.00 26.27 O ATOM 966 CB ASP B 53 39.125 12.047 4.227 1.00 27.01 C ATOM 967 CG ASP B 53 40.078 10.882 4.021 1.00 32.05 C ATOM 968 OD1 ASP B 53 41.200 11.111 3.485 1.00 32.54 O ATOM 969 OD2 ASP B 53 39.682 9.730 4.397 1.00 34.31 O ATOM 0 H ASP B 53 37.992 14.212 4.371 1.00 24.79 H new ATOM 0 HA ASP B 53 40.600 13.479 4.603 1.00 26.75 H new ATOM 0 HB2 ASP B 53 38.742 11.992 5.116 1.00 27.01 H new ATOM 0 HB3 ASP B 53 38.391 11.973 3.597 1.00 27.01 H new ATOM 970 N PRO B 54 41.427 13.906 2.287 1.00 27.28 N ATOM 971 CA PRO B 54 41.653 14.085 0.858 1.00 28.00 C ATOM 972 C PRO B 54 41.572 12.818 -0.014 1.00 29.13 C ATOM 973 O PRO B 54 41.508 12.961 -1.232 1.00 28.70 O ATOM 974 CB PRO B 54 43.036 14.744 0.807 1.00 29.45 C ATOM 975 CG PRO B 54 43.726 14.249 2.044 1.00 28.34 C ATOM 976 CD PRO B 54 42.641 14.137 3.096 1.00 27.82 C ATOM 0 HA PRO B 54 40.940 14.614 0.467 1.00 28.00 H new ATOM 0 HB2 PRO B 54 43.520 14.490 0.006 1.00 29.45 H new ATOM 0 HB3 PRO B 54 42.968 15.712 0.803 1.00 29.45 H new ATOM 0 HG2 PRO B 54 44.150 13.391 1.887 1.00 28.34 H new ATOM 0 HG3 PRO B 54 44.423 14.863 2.325 1.00 28.34 H new ATOM 0 HD2 PRO B 54 42.809 13.406 3.711 1.00 27.82 H new ATOM 0 HD3 PRO B 54 42.571 14.945 3.629 1.00 27.82 H new ATOM 977 N LYS B 55 41.524 11.620 0.593 1.00 28.10 N ATOM 978 CA LYS B 55 41.300 10.377 -0.180 1.00 30.11 C ATOM 979 C LYS B 55 39.888 10.244 -0.735 1.00 29.55 C ATOM 980 O LYS B 55 39.686 9.486 -1.707 1.00 31.19 O ATOM 981 CB LYS B 55 41.593 9.170 0.702 1.00 29.51 C ATOM 982 CG LYS B 55 43.020 9.109 1.210 1.00 33.94 C ATOM 983 CD LYS B 55 43.363 7.655 1.508 1.00 38.93 C ATOM 984 CE LYS B 55 44.390 7.547 2.604 1.00 42.38 C ATOM 985 NZ LYS B 55 44.699 6.092 2.799 1.00 44.28 N ATOM 0 H LYS B 55 41.617 11.503 1.440 1.00 28.10 H new ATOM 0 HA LYS B 55 41.902 10.419 -0.940 1.00 30.11 H new ATOM 0 HB2 LYS B 55 40.989 9.182 1.461 1.00 29.51 H new ATOM 0 HB3 LYS B 55 41.403 8.361 0.201 1.00 29.51 H new ATOM 0 HG2 LYS B 55 43.630 9.471 0.548 1.00 33.94 H new ATOM 0 HG3 LYS B 55 43.117 9.649 2.010 1.00 33.94 H new ATOM 0 HD2 LYS B 55 42.559 7.178 1.767 1.00 38.93 H new ATOM 0 HD3 LYS B 55 43.699 7.229 0.704 1.00 38.93 H new ATOM 0 HE2 LYS B 55 45.193 8.037 2.367 1.00 42.38 H new ATOM 0 HE3 LYS B 55 44.053 7.936 3.426 1.00 42.38 H new ATOM 0 HZ1 LYS B 55 45.306 6.001 3.444 1.00 44.28 H new ATOM 0 HZ2 LYS B 55 43.956 5.659 3.028 1.00 44.28 H new ATOM 0 HZ3 LYS B 55 45.019 5.752 2.041 1.00 44.28 H new ATOM 986 N GLU B 56 38.917 10.935 -0.111 1.00 29.84 N ATOM 987 CA GLU B 56 37.489 10.786 -0.442 1.00 31.29 C ATOM 988 C GLU B 56 37.147 11.455 -1.773 1.00 28.79 C ATOM 989 O GLU B 56 37.648 12.533 -2.070 1.00 29.27 O ATOM 990 CB GLU B 56 36.592 11.318 0.708 1.00 30.66 C ATOM 991 CG GLU B 56 36.689 10.460 1.982 1.00 35.04 C ATOM 992 CD GLU B 56 35.622 10.790 3.056 1.00 38.01 C ATOM 993 OE1 GLU B 56 34.403 10.768 2.746 1.00 47.67 O ATOM 994 OE2 GLU B 56 36.002 11.014 4.232 1.00 47.14 O ATOM 0 H GLU B 56 39.070 11.503 0.516 1.00 29.84 H new ATOM 0 HA GLU B 56 37.309 9.838 -0.544 1.00 31.29 H new ATOM 0 HB2 GLU B 56 36.847 12.230 0.917 1.00 30.66 H new ATOM 0 HB3 GLU B 56 35.670 11.343 0.409 1.00 30.66 H new ATOM 0 HG2 GLU B 56 36.607 9.525 1.737 1.00 35.04 H new ATOM 0 HG3 GLU B 56 37.570 10.575 2.371 1.00 35.04 H new ATOM 995 N LYS B 57 36.303 10.816 -2.595 1.00 30.29 N ATOM 996 CA LYS B 57 35.989 11.365 -3.923 1.00 28.82 C ATOM 997 C LYS B 57 35.386 12.788 -3.839 1.00 28.90 C ATOM 998 O LYS B 57 35.788 13.680 -4.590 1.00 30.58 O ATOM 999 CB LYS B 57 35.059 10.423 -4.735 1.00 30.31 C ATOM 1000 CG LYS B 57 35.151 10.699 -6.238 1.00 30.60 C ATOM 1001 CD LYS B 57 34.611 9.511 -7.040 1.00 34.66 C ATOM 1002 CE LYS B 57 34.167 9.940 -8.441 1.00 37.51 C ATOM 1003 NZ LYS B 57 33.735 8.752 -9.284 1.00 38.36 N ATOM 0 H LYS B 57 35.908 10.076 -2.407 1.00 30.29 H new ATOM 0 HA LYS B 57 36.833 11.431 -4.396 1.00 28.82 H new ATOM 0 HB2 LYS B 57 35.299 9.500 -4.559 1.00 30.31 H new ATOM 0 HB3 LYS B 57 34.142 10.539 -4.440 1.00 30.31 H new ATOM 0 HG2 LYS B 57 34.647 11.499 -6.456 1.00 30.60 H new ATOM 0 HG3 LYS B 57 36.074 10.869 -6.485 1.00 30.60 H new ATOM 0 HD2 LYS B 57 35.296 8.828 -7.111 1.00 34.66 H new ATOM 0 HD3 LYS B 57 33.862 9.114 -6.569 1.00 34.66 H new ATOM 0 HE2 LYS B 57 33.433 10.570 -8.369 1.00 37.51 H new ATOM 0 HE3 LYS B 57 34.895 10.403 -8.884 1.00 37.51 H new ATOM 0 HZ1 LYS B 57 33.484 9.035 -10.090 1.00 38.36 H new ATOM 0 HZ2 LYS B 57 34.415 8.184 -9.368 1.00 38.36 H new ATOM 0 HZ3 LYS B 57 33.052 8.340 -8.889 1.00 38.36 H new ATOM 1004 N TRP B 58 34.435 13.014 -2.936 1.00 28.51 N ATOM 1005 CA TRP B 58 33.749 14.303 -2.892 1.00 28.92 C ATOM 1006 C TRP B 58 34.699 15.396 -2.521 1.00 27.69 C ATOM 1007 O TRP B 58 34.590 16.506 -3.036 1.00 28.51 O ATOM 1008 CB TRP B 58 32.532 14.318 -1.962 1.00 30.23 C ATOM 1009 CG TRP B 58 32.778 14.165 -0.529 1.00 30.47 C ATOM 1010 CD1 TRP B 58 32.853 13.000 0.177 1.00 32.75 C ATOM 1011 CD2 TRP B 58 32.920 15.223 0.421 1.00 32.33 C ATOM 1012 NE1 TRP B 58 33.055 13.269 1.520 1.00 32.55 N ATOM 1013 CE2 TRP B 58 33.123 14.625 1.692 1.00 33.94 C ATOM 1014 CE3 TRP B 58 32.939 16.615 0.319 1.00 32.24 C ATOM 1015 CZ2 TRP B 58 33.302 15.380 2.855 1.00 31.52 C ATOM 1016 CZ3 TRP B 58 33.121 17.364 1.464 1.00 31.20 C ATOM 1017 CH2 TRP B 58 33.293 16.744 2.727 1.00 32.81 C ATOM 0 H TRP B 58 34.175 12.443 -2.348 1.00 28.51 H new ATOM 0 HA TRP B 58 33.412 14.457 -3.788 1.00 28.92 H new ATOM 0 HB2 TRP B 58 32.062 15.155 -2.098 1.00 30.23 H new ATOM 0 HB3 TRP B 58 31.933 13.608 -2.241 1.00 30.23 H new ATOM 0 HD1 TRP B 58 32.779 12.149 -0.190 1.00 32.75 H new ATOM 0 HE1 TRP B 58 33.126 12.681 2.143 1.00 32.55 H new ATOM 0 HE3 TRP B 58 32.831 17.030 -0.506 1.00 32.24 H new ATOM 0 HZ2 TRP B 58 33.422 14.973 3.682 1.00 31.52 H new ATOM 0 HZ3 TRP B 58 33.131 18.292 1.406 1.00 31.20 H new ATOM 0 HH2 TRP B 58 33.402 17.274 3.484 1.00 32.81 H new ATOM 1018 N VAL B 59 35.630 15.067 -1.626 1.00 26.94 N ATOM 1019 CA VAL B 59 36.627 16.043 -1.168 1.00 26.09 C ATOM 1020 C VAL B 59 37.452 16.516 -2.372 1.00 26.51 C ATOM 1021 O VAL B 59 37.547 17.720 -2.631 1.00 27.45 O ATOM 1022 CB VAL B 59 37.491 15.453 -0.056 1.00 26.79 C ATOM 1023 CG1 VAL B 59 38.556 16.502 0.414 1.00 25.32 C ATOM 1024 CG2 VAL B 59 36.600 15.149 1.176 1.00 27.15 C ATOM 0 H VAL B 59 35.704 14.287 -1.271 1.00 26.94 H new ATOM 0 HA VAL B 59 36.185 16.816 -0.784 1.00 26.09 H new ATOM 0 HB VAL B 59 37.920 14.653 -0.397 1.00 26.79 H new ATOM 0 HG11 VAL B 59 39.099 16.118 1.120 1.00 25.32 H new ATOM 0 HG12 VAL B 59 39.123 16.745 -0.334 1.00 25.32 H new ATOM 0 HG13 VAL B 59 38.105 17.294 0.748 1.00 25.32 H new ATOM 0 HG21 VAL B 59 37.145 14.774 1.885 1.00 27.15 H new ATOM 0 HG22 VAL B 59 36.186 15.969 1.487 1.00 27.15 H new ATOM 0 HG23 VAL B 59 35.911 14.513 0.928 1.00 27.15 H new ATOM 1025 N GLN B 60 37.967 15.568 -3.159 1.00 26.96 N ATOM 1026 CA GLN B 60 38.739 15.937 -4.338 1.00 28.60 C ATOM 1027 C GLN B 60 37.886 16.753 -5.349 1.00 28.22 C ATOM 1028 O GLN B 60 38.358 17.736 -5.952 1.00 27.57 O ATOM 1029 CB GLN B 60 39.333 14.671 -4.963 1.00 28.15 C ATOM 1030 CG GLN B 60 40.342 13.956 -4.017 1.00 29.15 C ATOM 1031 CD GLN B 60 40.771 12.545 -4.484 1.00 32.85 C ATOM 1032 OE1 GLN B 60 40.223 12.071 -5.629 1.00 39.67 O flip ATOM 1033 NE2 GLN B 60 41.620 11.903 -3.836 1.00 36.15 N flip ATOM 0 H GLN B 60 37.881 14.722 -3.028 1.00 26.96 H new ATOM 0 HA GLN B 60 39.467 16.522 -4.075 1.00 28.60 H new ATOM 0 HB2 GLN B 60 38.616 14.058 -5.189 1.00 28.15 H new ATOM 0 HB3 GLN B 60 39.780 14.902 -5.792 1.00 28.15 H new ATOM 0 HG2 GLN B 60 41.134 14.510 -3.929 1.00 29.15 H new ATOM 0 HG3 GLN B 60 39.946 13.886 -3.134 1.00 29.15 H new ATOM 0 HE21 GLN B 60 41.948 12.233 -3.113 1.00 36.15 H new ATOM 0 HE22 GLN B 60 41.878 11.130 -4.112 1.00 36.15 H new ATOM 1034 N ASN B 61 36.628 16.357 -5.519 1.00 29.35 N ATOM 1035 CA ASN B 61 35.705 17.076 -6.409 1.00 29.51 C ATOM 1036 C ASN B 61 35.536 18.526 -5.927 1.00 28.28 C ATOM 1037 O ASN B 61 35.614 19.470 -6.719 1.00 27.88 O ATOM 1038 CB ASN B 61 34.332 16.363 -6.480 1.00 30.04 C ATOM 1039 CG ASN B 61 34.342 15.102 -7.389 1.00 35.36 C ATOM 1040 OD1 ASN B 61 35.317 14.815 -8.102 1.00 36.55 O ATOM 1041 ND2 ASN B 61 33.227 14.354 -7.366 1.00 37.57 N ATOM 0 H ASN B 61 36.284 15.672 -5.129 1.00 29.35 H new ATOM 0 HA ASN B 61 36.082 17.082 -7.303 1.00 29.51 H new ATOM 0 HB2 ASN B 61 34.061 16.107 -5.585 1.00 30.04 H new ATOM 0 HB3 ASN B 61 33.667 16.987 -6.810 1.00 30.04 H new ATOM 0 HD21 ASN B 61 33.172 13.650 -7.856 1.00 37.57 H new ATOM 0 HD22 ASN B 61 32.568 14.579 -6.861 1.00 37.57 H new ATOM 1042 N TYR B 62 35.334 18.702 -4.612 1.00 26.00 N ATOM 1043 CA TYR B 62 35.177 20.034 -4.063 1.00 26.12 C ATOM 1044 C TYR B 62 36.440 20.869 -4.278 1.00 26.96 C ATOM 1045 O TYR B 62 36.350 22.062 -4.534 1.00 27.76 O ATOM 1046 CB TYR B 62 34.834 19.959 -2.547 1.00 25.75 C ATOM 1047 CG TYR B 62 33.376 19.659 -2.238 1.00 26.34 C ATOM 1048 CD1 TYR B 62 32.534 19.017 -3.173 1.00 26.96 C ATOM 1049 CD2 TYR B 62 32.807 20.041 -1.028 1.00 28.57 C ATOM 1050 CE1 TYR B 62 31.194 18.761 -2.881 1.00 30.22 C ATOM 1051 CE2 TYR B 62 31.456 19.772 -0.744 1.00 29.86 C ATOM 1052 CZ TYR B 62 30.663 19.143 -1.660 1.00 30.08 C ATOM 1053 OH TYR B 62 29.342 18.919 -1.324 1.00 30.23 O ATOM 0 H TYR B 62 35.287 18.065 -4.037 1.00 26.00 H new ATOM 0 HA TYR B 62 34.445 20.466 -4.530 1.00 26.12 H new ATOM 0 HB2 TYR B 62 35.386 19.275 -2.137 1.00 25.75 H new ATOM 0 HB3 TYR B 62 35.073 20.803 -2.132 1.00 25.75 H new ATOM 0 HD1 TYR B 62 32.879 18.760 -3.998 1.00 26.96 H new ATOM 0 HD2 TYR B 62 33.328 20.482 -0.396 1.00 28.57 H new ATOM 0 HE1 TYR B 62 30.656 18.333 -3.507 1.00 30.22 H new ATOM 0 HE2 TYR B 62 31.099 20.025 0.077 1.00 29.86 H new ATOM 0 HH TYR B 62 29.252 18.970 -0.490 1.00 30.23 H new ATOM 1054 N MET B 63 37.616 20.254 -4.110 1.00 26.52 N ATOM 1055 CA MET B 63 38.885 20.997 -4.273 1.00 27.58 C ATOM 1056 C MET B 63 39.001 21.504 -5.734 1.00 28.41 C ATOM 1057 O MET B 63 39.502 22.600 -5.992 1.00 28.08 O ATOM 1058 CB MET B 63 40.064 20.095 -3.901 1.00 27.46 C ATOM 1059 CG MET B 63 40.000 19.670 -2.402 1.00 26.46 C ATOM 1060 SD MET B 63 41.227 18.338 -2.126 1.00 34.43 S ATOM 1061 CE MET B 63 42.534 19.484 -2.177 1.00 33.87 C ATOM 0 H MET B 63 37.706 19.424 -3.905 1.00 26.52 H new ATOM 0 HA MET B 63 38.898 21.765 -3.681 1.00 27.58 H new ATOM 0 HB2 MET B 63 40.060 19.305 -4.464 1.00 27.46 H new ATOM 0 HB3 MET B 63 40.897 20.561 -4.072 1.00 27.46 H new ATOM 0 HG2 MET B 63 40.190 20.428 -1.828 1.00 26.46 H new ATOM 0 HG3 MET B 63 39.109 19.360 -2.177 1.00 26.46 H new ATOM 0 HE1 MET B 63 43.377 19.010 -2.255 1.00 33.87 H new ATOM 0 HE2 MET B 63 42.421 20.070 -2.941 1.00 33.87 H new ATOM 0 HE3 MET B 63 42.534 20.011 -1.363 1.00 33.87 H new ATOM 1062 N LYS B 64 38.493 20.709 -6.656 1.00 27.95 N ATOM 1063 CA LYS B 64 38.577 21.053 -8.069 1.00 30.55 C ATOM 1064 C LYS B 64 37.752 22.289 -8.331 1.00 31.44 C ATOM 1065 O LYS B 64 38.189 23.195 -9.085 1.00 32.43 O ATOM 1066 CB LYS B 64 38.040 19.922 -8.940 1.00 29.94 C ATOM 1067 CG LYS B 64 38.930 18.685 -8.955 1.00 35.43 C ATOM 1068 CD LYS B 64 38.285 17.621 -9.846 1.00 37.75 C ATOM 1069 CE LYS B 64 38.964 16.285 -9.692 1.00 42.30 C ATOM 1070 NZ LYS B 64 39.737 15.970 -10.937 1.00 42.09 N ATOM 0 H LYS B 64 38.095 19.965 -6.489 1.00 27.95 H new ATOM 0 HA LYS B 64 39.509 21.208 -8.289 1.00 30.55 H new ATOM 0 HB2 LYS B 64 37.158 19.672 -8.624 1.00 29.94 H new ATOM 0 HB3 LYS B 64 37.935 20.246 -9.848 1.00 29.94 H new ATOM 0 HG2 LYS B 64 39.813 18.911 -9.288 1.00 35.43 H new ATOM 0 HG3 LYS B 64 39.045 18.344 -8.054 1.00 35.43 H new ATOM 0 HD2 LYS B 64 37.345 17.535 -9.621 1.00 37.75 H new ATOM 0 HD3 LYS B 64 38.330 17.903 -10.773 1.00 37.75 H new ATOM 0 HE2 LYS B 64 39.559 16.300 -8.926 1.00 42.30 H new ATOM 0 HE3 LYS B 64 38.304 15.593 -9.526 1.00 42.30 H new ATOM 0 HZ1 LYS B 64 40.138 15.181 -10.846 1.00 42.09 H new ATOM 0 HZ2 LYS B 64 39.182 15.942 -11.632 1.00 42.09 H new ATOM 0 HZ3 LYS B 64 40.351 16.600 -11.073 1.00 42.09 H new ATOM 1071 N HIS B 65 36.537 22.292 -7.774 1.00 30.80 N ATOM 1072 CA HIS B 65 35.623 23.412 -7.956 1.00 31.61 C ATOM 1073 C HIS B 65 36.152 24.673 -7.295 1.00 33.28 C ATOM 1074 O HIS B 65 36.154 25.736 -7.919 1.00 34.96 O ATOM 1075 CB AHIS B 65 34.234 23.084 -7.439 0.65 30.91 C ATOM 1076 CB BHIS B 65 34.241 23.056 -7.395 0.35 31.22 C ATOM 1077 CG AHIS B 65 33.444 22.262 -8.400 0.65 30.25 C ATOM 1078 CG BHIS B 65 33.152 23.994 -7.815 0.35 30.93 C ATOM 1079 ND1AHIS B 65 32.992 20.997 -8.104 0.65 31.26 N ATOM 1080 ND1BHIS B 65 32.507 24.968 -7.131 0.35 29.55 N flip ATOM 1081 CD2AHIS B 65 33.075 22.504 -9.681 0.65 30.11 C ATOM 1082 CD2BHIS B 65 32.610 23.994 -9.085 0.35 30.19 C flip ATOM 1083 CE1AHIS B 65 32.335 20.512 -9.144 0.65 30.95 C ATOM 1084 CE1BHIS B 65 31.592 25.529 -7.988 0.35 30.14 C flip ATOM 1085 NE2AHIS B 65 32.397 21.395 -10.120 0.65 29.04 N ATOM 1086 NE2BHIS B 65 31.677 24.927 -9.162 0.35 30.13 N flip ATOM 0 H HIS B 65 36.228 21.653 -7.288 1.00 30.80 H new ATOM 0 HA HIS B 65 35.559 23.576 -8.910 1.00 31.61 H new ATOM 0 HB2AHIS B 65 34.310 22.608 -6.597 0.65 31.22 H new ATOM 0 HB2BHIS B 65 34.009 22.158 -7.679 0.35 31.22 H new ATOM 0 HB3AHIS B 65 33.757 23.909 -7.256 0.65 31.22 H new ATOM 0 HB3BHIS B 65 34.289 23.044 -6.426 0.35 31.22 H new ATOM 0 HD2AHIS B 65 33.248 23.276 -10.170 0.65 30.19 H new ATOM 0 HD2BHIS B 65 32.862 23.427 -9.777 0.35 30.19 H new ATOM 0 HE1AHIS B 65 31.903 19.689 -9.180 0.65 30.14 H new ATOM 0 HE1BHIS B 65 31.007 26.221 -7.777 0.35 30.14 H new ATOM 0 HE2AHIS B 65 32.065 21.293 -10.907 0.65 30.13 H new ATOM 0 HE2BHIS B 65 31.206 25.111 -9.857 0.35 30.13 H new ATOM 1087 N LEU B 66 36.624 24.563 -6.056 1.00 32.96 N ATOM 1088 CA LEU B 66 37.136 25.758 -5.373 1.00 33.49 C ATOM 1089 C LEU B 66 38.414 26.268 -6.006 1.00 35.53 C ATOM 1090 O LEU B 66 38.663 27.461 -5.983 1.00 36.06 O ATOM 1091 CB LEU B 66 37.347 25.509 -3.858 1.00 32.19 C ATOM 1092 CG LEU B 66 36.030 25.205 -3.140 1.00 29.71 C ATOM 1093 CD1 LEU B 66 36.266 24.478 -1.763 1.00 32.84 C ATOM 1094 CD2 LEU B 66 35.078 26.468 -3.012 1.00 34.16 C ATOM 0 H LEU B 66 36.659 23.833 -5.602 1.00 32.96 H new ATOM 0 HA LEU B 66 36.457 26.444 -5.475 1.00 33.49 H new ATOM 0 HB2 LEU B 66 37.960 24.768 -3.735 1.00 32.19 H new ATOM 0 HB3 LEU B 66 37.761 26.289 -3.457 1.00 32.19 H new ATOM 0 HG LEU B 66 35.550 24.582 -3.708 1.00 29.71 H new ATOM 0 HD11 LEU B 66 35.411 24.302 -1.339 1.00 32.84 H new ATOM 0 HD12 LEU B 66 36.729 23.640 -1.915 1.00 32.84 H new ATOM 0 HD13 LEU B 66 36.803 25.044 -1.186 1.00 32.84 H new ATOM 0 HD21 LEU B 66 34.263 26.214 -2.551 1.00 34.16 H new ATOM 0 HD22 LEU B 66 35.530 27.164 -2.510 1.00 34.16 H new ATOM 0 HD23 LEU B 66 34.858 26.799 -3.897 1.00 34.16 H new ATOM 1095 N GLY B 67 39.226 25.352 -6.541 1.00 37.73 N ATOM 1096 CA GLY B 67 40.535 25.648 -7.117 1.00 39.87 C ATOM 1097 C GLY B 67 41.617 24.864 -6.385 1.00 42.07 C ATOM 1098 O GLY B 67 42.190 23.898 -6.927 1.00 45.12 O ATOM 0 H GLY B 67 39.021 24.518 -6.578 1.00 37.73 H new ATOM 0 HA2 GLY B 67 40.541 25.419 -8.060 1.00 39.87 H new ATOM 0 HA3 GLY B 67 40.716 26.599 -7.055 1.00 39.87 H new TER 1099 GLY B 67 HETATM 1100 S SO4 A 76 57.676 42.288 25.919 1.00 41.82 S HETATM 1101 O1 SO4 A 76 56.978 43.444 26.434 1.00 50.50 O HETATM 1102 O2 SO4 A 76 58.744 41.925 26.837 1.00 48.60 O HETATM 1103 O3 SO4 A 76 58.169 42.495 24.562 1.00 46.74 O HETATM 1104 O4 SO4 A 76 56.710 41.183 25.883 1.00 46.49 O HETATM 1105 S SO4 A 77 56.112 40.599 19.943 1.00 45.07 S HETATM 1106 O1 SO4 A 77 54.683 40.745 19.837 1.00 42.49 O HETATM 1107 O2 SO4 A 77 56.651 40.323 21.296 1.00 40.79 O HETATM 1108 O3 SO4 A 77 56.697 41.889 19.587 1.00 48.79 O HETATM 1109 O4 SO4 A 77 56.547 39.559 18.968 1.00 42.84 O HETATM 1110 S SO4 A 78 50.046 40.662 21.445 0.50 28.78 S HETATM 1111 O1 SO4 A 78 50.194 41.029 22.860 0.50 35.85 O HETATM 1112 O2 SO4 A 78 51.159 39.797 21.089 0.50 35.41 O HETATM 1113 O3 SO4 A 78 50.223 41.881 20.660 0.50 36.43 O HETATM 1114 O4 SO4 A 78 48.790 40.066 21.310 0.50 30.37 O HETATM 1115 S SO4 B 76 26.348 22.125 10.359 0.50 29.02 S HETATM 1116 O1 SO4 B 76 27.158 23.301 10.244 0.50 33.08 O HETATM 1117 O2 SO4 B 76 25.041 22.507 10.836 0.50 34.51 O HETATM 1118 O3 SO4 B 76 26.900 21.209 11.388 0.50 28.65 O HETATM 1119 O4 SO4 B 76 26.267 21.328 9.115 0.50 26.66 O HETATM 1120 S SO4 B 77 23.984 21.187 4.218 1.00 44.39 S HETATM 1121 O1 SO4 B 77 23.342 22.404 3.756 1.00 50.20 O HETATM 1122 O2 SO4 B 77 23.416 20.798 5.509 1.00 48.66 O HETATM 1123 O3 SO4 B 77 25.442 21.378 4.253 1.00 49.13 O HETATM 1124 O4 SO4 B 77 23.631 20.172 3.224 1.00 49.83 O HETATM 1125 S SO4 B 78 37.203 37.472 0.636 0.25112.55 S HETATM 1126 O1 SO4 B 78 37.357 37.308 2.075 0.25112.49 O HETATM 1127 O2 SO4 B 78 36.427 38.677 0.359 0.25112.59 O HETATM 1128 O3 SO4 B 78 36.506 36.313 0.088 0.25112.63 O HETATM 1129 O4 SO4 B 78 38.521 37.590 0.020 0.25112.66 O HETATM 1130 C1 TFA B 79 28.521 28.113 6.637 1.00 45.05 C HETATM 1131 C2 TFA B 79 29.261 27.607 7.894 1.00 45.32 C HETATM 1132 O TFA B 79 29.015 28.926 5.792 1.00 44.04 O HETATM 1133 F1 TFA B 79 28.601 27.271 8.901 1.00 37.94 F HETATM 1134 F2 TFA B 79 29.824 26.448 7.601 1.00 52.94 F HETATM 1135 F3 TFA B 79 30.056 28.464 8.496 1.00 50.45 F HETATM 1136 OXT TFA B 79 27.400 27.670 6.421 0.65 43.95 O HETATM 1137 O HOH A 79 45.019 21.888 21.386 1.00 24.76 O HETATM 1138 O HOH A 80 41.033 17.527 14.861 1.00 26.42 O HETATM 1139 O HOH A 81 51.265 20.748 20.727 1.00 28.69 O HETATM 1140 O HOH A 82 59.208 28.267 25.071 1.00 27.70 O HETATM 1141 O HOH A 83 44.472 44.489 32.275 1.00 31.86 O HETATM 1142 O HOH A 84 53.000 42.781 19.747 1.00 27.33 O HETATM 1143 O HOH A 85 64.251 26.344 31.997 1.00 26.40 O HETATM 1144 O HOH A 86 49.567 18.092 23.741 1.00 35.84 O HETATM 1145 O HOH A 87 61.137 21.162 33.078 1.00 32.62 O HETATM 1146 O HOH A 88 55.236 41.648 33.251 1.00 40.14 O HETATM 1147 O HOH A 89 59.407 20.090 25.858 1.00 34.99 O HETATM 1148 O HOH A 90 41.506 41.130 27.544 1.00 38.63 O HETATM 1149 O HOH A 91 62.491 29.895 26.038 1.00 47.82 O HETATM 1150 O HOH A 92 53.471 25.781 36.671 1.00 36.71 O HETATM 1151 O HOH A 93 48.435 33.976 17.073 1.00 43.70 O HETATM 1152 O HOH A 94 63.265 29.892 31.910 1.00 36.90 O HETATM 1153 O HOH A 95 53.044 18.811 18.601 1.00 39.80 O HETATM 1154 O HOH A 96 61.221 24.984 19.075 1.00 39.71 O HETATM 1155 O HOH A 97 61.648 19.301 24.401 1.00 58.40 O HETATM 1156 O HOH A 98 59.098 15.236 26.023 1.00 58.05 O HETATM 1157 O HOH A 99 48.884 38.773 33.245 1.00 40.01 O HETATM 1158 O HOH A 100 56.718 19.168 25.653 1.00 38.70 O HETATM 1159 O HOH A 101 62.658 25.851 25.165 1.00 56.64 O HETATM 1160 O HOH A 102 59.234 33.895 35.270 1.00 64.13 O HETATM 1161 O HOH A 103 56.946 39.867 32.903 1.00 41.02 O HETATM 1162 O HOH A 104 51.031 44.377 23.670 1.00 36.19 O HETATM 1163 O HOH A 105 46.364 12.082 12.848 1.00 52.71 O HETATM 1164 O HOH A 106 50.819 15.601 23.394 1.00 49.23 O HETATM 1165 O HOH A 107 59.746 39.911 28.822 1.00 47.27 O HETATM 1166 O HOH A 108 40.390 36.426 22.617 0.50 50.85 O HETATM 1167 O HOH A 109 48.571 16.924 26.526 1.00 46.27 O HETATM 1168 O HOH A 110 55.167 38.325 17.093 1.00 35.09 O HETATM 1169 O HOH A 111 57.821 35.538 36.885 1.00 62.83 O HETATM 1170 O HOH A 112 44.079 10.858 14.310 1.00 50.15 O HETATM 1171 O HOH A 113 57.410 38.303 35.403 1.00 52.14 O HETATM 1172 O HOH A 114 51.032 41.667 18.984 1.00 45.83 O HETATM 1173 O AHOH A 115 49.758 41.884 23.949 0.40 20.98 O HETATM 1174 O BHOH A 115 48.351 41.368 24.392 0.60 29.23 O HETATM 1175 O HOH A 116 56.021 18.392 28.601 1.00 44.71 O HETATM 1176 O HOH A 117 31.749 13.415 15.380 1.00 45.72 O HETATM 1177 O HOH B 80 26.642 20.798 -2.890 1.00 47.19 O HETATM 1178 O HOH B 81 25.746 22.979 -3.206 1.00 43.90 O HETATM 1179 O HOH B 82 49.255 17.879 6.115 1.00 29.03 O HETATM 1180 O HOH B 83 46.204 17.556 9.603 1.00 25.91 O HETATM 1181 O HOH B 84 47.864 23.664 8.796 1.00 24.71 O HETATM 1182 O HOH B 85 43.108 14.532 -2.768 1.00 53.12 O HETATM 1183 O HOH B 86 36.074 13.640 4.950 1.00 32.67 O HETATM 1184 O HOH B 87 25.604 25.745 10.511 1.00 29.14 O HETATM 1185 O HOH B 88 53.599 25.219 15.360 1.00 29.33 O HETATM 1186 O HOH B 89 55.204 30.127 14.475 1.00 35.96 O HETATM 1187 O HOH B 90 47.257 24.593 2.994 1.00300.69 O HETATM 1188 O AHOH B 91 47.123 15.669 11.817 0.60 25.41 O HETATM 1189 O BHOH B 91 46.923 14.484 12.335 0.40 31.78 O HETATM 1190 O HOH B 92 56.856 35.939 15.598 1.00 37.30 O HETATM 1191 O HOH B 93 27.734 33.889 -2.189 1.00 36.91 O HETATM 1192 O HOH B 94 39.574 32.166 2.253 1.00 44.04 O HETATM 1193 O HOH B 95 35.579 26.742 12.929 1.00 42.76 O HETATM 1194 O HOH B 96 38.098 10.411 10.893 1.00 41.50 O HETATM 1195 O HOH B 97 46.793 24.928 6.508 1.00 37.34 O HETATM 1196 O HOH B 98 52.500 10.790 11.625 1.00 39.00 O HETATM 1197 O HOH B 99 23.117 24.658 3.016 1.00 47.90 O HETATM 1198 O HOH B 100 55.888 27.669 12.058 1.00 40.08 O HETATM 1199 O HOH B 101 47.575 27.664 11.544 1.00 46.74 O HETATM 1200 O HOH B 102 40.953 17.318 -6.471 1.00 50.64 O HETATM 1201 O HOH B 103 45.050 11.661 5.280 1.00 45.90 O HETATM 1202 O HOH B 104 31.274 27.367 -3.251 1.00 51.60 O HETATM 1203 O HOH B 105 33.362 10.357 -2.053 1.00 62.00 O HETATM 1204 O HOH B 106 43.211 27.918 11.849 1.00 51.84 O HETATM 1205 O HOH B 107 53.818 15.036 12.613 1.00 38.13 O HETATM 1206 O HOH B 108 47.698 29.951 15.027 1.00 48.36 O HETATM 1207 O HOH B 109 30.077 10.956 13.532 1.00 55.40 O HETATM 1208 O HOH B 110 41.168 26.220 14.044 1.00 52.49 O HETATM 1209 O HOH B 111 28.472 26.804 -5.331 1.00 62.49 O HETATM 1210 O HOH B 112 33.051 35.106 6.218 0.50 36.08 O CONECT 62 273 CONECT 68 400 CONECT 273 62 CONECT 400 68 CONECT 618 819 CONECT 624 956 CONECT 819 618 CONECT 956 624 CONECT 1100 1101 1102 1103 1104 CONECT 1101 1100 CONECT 1102 1100 CONECT 1103 1100 CONECT 1104 1100 CONECT 1105 1106 1107 1108 1109 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1105 CONECT 1109 1105 CONECT 1110 1111 1112 1113 1114 CONECT 1111 1110 CONECT 1112 1110 CONECT 1113 1110 CONECT 1114 1110 CONECT 1115 1116 1117 1118 1119 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1115 CONECT 1119 1115 CONECT 1120 1121 1122 1123 1124 CONECT 1121 1120 CONECT 1122 1120 CONECT 1123 1120 CONECT 1124 1120 CONECT 1125 1126 1127 1128 1129 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1125 CONECT 1130 1131 1132 1136 CONECT 1131 1130 1133 1134 1135 CONECT 1132 1130 CONECT 1133 1131 CONECT 1134 1131 CONECT 1135 1131 CONECT 1136 1130 END