USER MOD reduce.3.24.130724 H: found=0, std=0, add=2015, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/ANTIBIOTIC 18-MAY-12 4F94 TITLE STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-24 K84D IN ACYL-ENZYME TITLE 2 COMPLEX WITH OXACILLIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-LACTAMASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 32-275; COMPND 5 SYNONYM: BETA-LACTAMASE OXA-33, BETALACTAMASE OXA24, CARBAPENEM- COMPND 6 HYDROLYZING BETA-LACTAMASE OXA-40, CARBAPENEM-HYDROLYZING COMPND 7 OXACILLINASE, CARBAPENEMASE OXA-24, CLASS D BETA-LACTAMASE OXA-40, COMPND 8 OXA-24 CLASS D BETA-LACTAMASE, OXA40; COMPND 9 EC: 3.5.2.6; COMPND 0 ENGINEERED: YES; COMPND 1 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; SOURCE 3 ORGANISM_TAXID: 470; SOURCE 4 GENE: BLA, BLA-OXA-40, BLAOXA-24, BLAOXA-33, BLAOXA-40, OXA-24, SOURCE 5 OXA40; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET24A KEYWDS CARBAPENEMASE, HYDROLASE-ANTIBIOTIC COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR C.M.JUNE,B.C.VALLIER,R.A.BONOMO,D.A.LEONARD,R.A.POWERS REVDAT 2 09-OCT-13 4F94 1 HET HETNAM REMARK REVDAT 1 14-AUG-13 4F94 0 JRNL AUTH C.M.JUNE,B.C.VALLIER,R.A.BONOMO,D.A.LEONARD,R.A.POWERS JRNL TITL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-24 K84D IN JRNL TITL 2 ACYL-ENZYME COMPLEX WITH OXACILLIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0029 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) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.37 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 REMARK 3 NUMBER OF REFLECTIONS : 17254 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) : 0.180 REMARK 3 R VALUE (WORKING SET) : 0.178 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 REMARK 3 FREE R VALUE TEST SET COUNT : 937 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) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.46 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1267 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.04 REMARK 3 BIN R VALUE (WORKING SET) : 0.1810 REMARK 3 BIN FREE R VALUE SET COUNT : 80 REMARK 3 BIN FREE R VALUE : 0.2360 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1939 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 48 REMARK 3 SOLVENT ATOMS : 110 REMARK 3 REMARK 3 B VALUES. 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) : -1.47000 REMARK 3 B22 (A**2) : -1.47000 REMARK 3 B33 (A**2) : 2.94000 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): 0.217 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.186 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.118 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.890 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.950 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.931 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2057 ; 0.019 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1981 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2790 ; 2.158 ; 1.979 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4563 ; 0.887 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 254 ; 5.874 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 92 ;40.268 ;25.543 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 379 ;16.881 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;21.004 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 307 ; 0.220 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2316 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 462 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 1228 ; 1.180 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1982 ; 2.173 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 836 ; 3.473 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 813 ; 5.487 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 : NULL 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 4F94 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-JUN-12. REMARK 100 THE RCSB ID CODE IS RCSB072610. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-AUG-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 21-ID-D REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.1 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 : 18309 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.5 REMARK 200 DATA REDUNDANCY : 7.200 REMARK 200 R MERGE (I) : 0.15100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 7.40 REMARK 200 R MERGE FOR SHELL (I) : 0.61500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.670 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 2JC7 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 70.28 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1% (V/V) PEG 400, 1.0 M AMMONIUM REMARK 280 SULFATE, 0.05 M HEPES SODIUM, PH 7.5, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-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 43.72200 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 51.16700 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 51.16700 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 21.86100 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 51.16700 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 51.16700 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 65.58300 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 51.16700 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 51.16700 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 21.86100 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 51.16700 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 51.16700 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 65.58300 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 43.72200 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 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 HOH A 485 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 203 CG CD CE NZ 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 OG SER A 81 C 1S6 A 301 1.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 SER A 35 CB SER A 35 OG -0.081 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 LEU A 248 CA - CB - CG ANGL. DEV. = 14.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 80 -141.37 55.27 REMARK 500 ASN A 165 11.41 -152.22 REMARK 500 ASN A 211 60.79 35.89 REMARK 500 ASN A 240 5.71 -67.24 REMARK 500 GLU A 254 117.80 -32.73 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 1S6 A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 305 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4F7Y RELATED DB: PDB DBREF 4F94 A 32 275 UNP Q8RLA6 Q8RLA6_ACIBA 32 275 SEQADV 4F94 MET A 31 UNP Q8RLA6 INITIATING METHIONINE SEQADV 4F94 ASP A 84 UNP Q8RLA6 LYS 84 ENGINEERED MUTATION SEQRES 1 A 245 MET HIS ILE SER SER GLN GLN HIS GLU LYS ALA ILE LYS SEQRES 2 A 245 SER TYR PHE ASP GLU ALA GLN THR GLN GLY VAL ILE ILE SEQRES 3 A 245 ILE LYS GLU GLY LYS ASN LEU SER THR TYR GLY ASN ALA SEQRES 4 A 245 LEU ALA ARG ALA ASN LYS GLU TYR VAL PRO ALA SER THR SEQRES 5 A 245 PHE ASP MET LEU ASN ALA LEU ILE GLY LEU GLU ASN HIS SEQRES 6 A 245 LYS ALA THR THR ASN GLU ILE PHE LYS TRP ASP GLY LYS SEQRES 7 A 245 LYS ARG THR TYR PRO MET TRP GLU LYS ASP MET THR LEU SEQRES 8 A 245 GLY GLU ALA MET ALA LEU SER ALA VAL PRO VAL TYR GLN SEQRES 9 A 245 GLU LEU ALA ARG ARG THR GLY LEU GLU LEU MET GLN LYS SEQRES 10 A 245 GLU VAL LYS ARG VAL ASN PHE GLY ASN THR ASN ILE GLY SEQRES 11 A 245 THR GLN VAL ASP ASN PHE TRP LEU VAL GLY PRO LEU LYS SEQRES 12 A 245 ILE THR PRO VAL GLN GLU VAL ASN PHE ALA ASP ASP LEU SEQRES 13 A 245 ALA HIS ASN ARG LEU PRO PHE LYS LEU GLU THR GLN GLU SEQRES 14 A 245 GLU VAL LYS LYS MET LEU LEU ILE LYS GLU VAL ASN GLY SEQRES 15 A 245 SER LYS ILE TYR ALA LYS SER GLY TRP GLY MET GLY VAL SEQRES 16 A 245 THR PRO GLN VAL GLY TRP LEU THR GLY TRP VAL GLU GLN SEQRES 17 A 245 ALA ASN GLY LYS LYS ILE PRO PHE SER LEU ASN LEU GLU SEQRES 18 A 245 MET LYS GLU GLY MET SER GLY SER ILE ARG ASN GLU ILE SEQRES 19 A 245 THR TYR LYS SER LEU GLU ASN LEU GLY ILE ILE HET 1S6 A 301 28 HET SO4 A 302 5 HET SO4 A 303 5 HET SO4 A 304 5 HET SO4 A 305 5 HETNAM 1S6 (2R,4S)-5,5-DIMETHYL-2-[(1R)-1-{[(5-METHYL-3-PHENYL-1, HETNAM 2 1S6 2-OXAZOL-4-YL)CARBONYL]AMINO}-2-OXOETHYL]-1,3- HETNAM 3 1S6 THIAZOLIDINE-4-CARBOXYLIC ACID HETNAM SO4 SULFATE ION HETSYN 1S6 OXACILLIN, BOUND FORM FORMUL 2 1S6 C19 H21 N3 O5 S FORMUL 3 SO4 4(O4 S 2-) FORMUL 7 HOH *110(H2 O) HELIX 1 1 SER A 34 ALA A 49 1 16 HELIX 2 2 ALA A 69 LYS A 75 5 7 HELIX 3 3 PRO A 79 THR A 82 5 4 HELIX 4 4 PHE A 83 ASN A 94 1 12 HELIX 5 5 TYR A 112 GLU A 116 5 5 HELIX 6 6 THR A 120 SER A 128 1 9 HELIX 7 7 ALA A 129 GLY A 141 1 13 HELIX 8 8 GLY A 141 ASN A 153 1 13 HELIX 9 9 ASN A 165 GLY A 170 1 6 HELIX 10 10 THR A 175 HIS A 188 1 14 HELIX 11 11 LYS A 194 MET A 204 1 11 HELIX 12 12 SER A 259 LEU A 272 1 14 SHEET 1 A 6 ASN A 62 GLY A 67 0 SHEET 2 A 6 GLY A 53 GLU A 59 -1 N ILE A 57 O SER A 64 SHEET 3 A 6 LYS A 243 MET A 252 -1 O ASN A 249 N VAL A 54 SHEET 4 A 6 GLN A 228 GLU A 237 -1 N GLN A 228 O MET A 252 SHEET 5 A 6 SER A 213 TRP A 221 -1 N LYS A 214 O GLU A 237 SHEET 6 A 6 LEU A 206 VAL A 210 -1 N LYS A 208 O ILE A 215 CISPEP 1 GLY A 170 PRO A 171 0 13.27 CISPEP 2 THR A 226 PRO A 227 0 -1.01 SITE *** AC1 12 ALA A 80 SER A 81 SER A 128 VAL A 130 SITE *** AC1 12 SER A 219 GLY A 220 TRP A 221 GLY A 222 SITE *** AC1 12 MET A 223 ARG A 261 SO4 A 305 HOH A 488 SITE *** AC2 4 GLY A 141 LEU A 142 GLU A 143 HOH A 448 SITE *** AC3 5 GLN A 178 ASN A 181 HOH A 409 HOH A 440 SITE *** AC3 5 HOH A 482 SITE *** AC4 3 HIS A 188 GLY A 241 LYS A 243 SITE *** AC5 2 GLN A 228 1S6 A 301 CRYST1 102.334 102.334 87.444 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009772 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009772 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011436 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: A 301 1S6 H14 : A 301 1S6 OAH : A 301 1S6 CAT :(short bond) USER MOD NoAdj-H: A 301 1S6 H1 : A 301 1S6 C : A 81 SER OG :(H bumps) USER MOD Set 1.1: A 262 ASN : amide:sc= 1.14 K(o=1.2,f=-1.1) USER MOD Set 1.2: A 266 TYR OH : rot 180:sc= 0.0595 USER MOD Set 2.1: A 257 SER OG : rot -119:sc= 0.266 USER MOD Set 2.2: A 259 SER OG : rot 106:sc= 0.166 USER MOD Set 3.1: A 52 GLN : amide:sc= -0.141 K(o=-0.015,f=-2.6) USER MOD Set 3.2: A 253 LYS NZ :NH3+ 167:sc= 0.126 (180deg=0) USER MOD Set 4.1: A 233 THR OG1 : rot 179:sc= 1.98 USER MOD Set 4.2: A 247 SER OG : rot 70:sc= 0.775 USER MOD Set 5.1: A 189 ASN : amide:sc= -0.0162 K(o=0.1,f=-2.5) USER MOD Set 5.2: A 202 LYS NZ :NH3+ -107:sc= 0.116 (180deg=0) USER MOD Set 6.1: A 161 THR OG1 : rot 180:sc= 0.13 USER MOD Set 6.2: A 162 GLN : amide:sc= 0.098 X(o=0.23,f=0.44) USER MOD Set 7.1: A 150 LYS NZ :NH3+ 152:sc= 0.963 (180deg=0.549) USER MOD Set 7.2: A 157 THR OG1 : rot -6:sc= 0.854 USER MOD Set 8.1: A 128 SER OG : rot -27:sc= 1.71 USER MOD Set 8.2: A 218 LYS NZ :NH3+ -175:sc= 1.99 (180deg=1.24) USER MOD Set 8.3: A 219 SER OG : rot 108:sc= 0.401 USER MOD Set 9.1: A 125 MET CE :methyl -134:sc= -0.285 (180deg=-0.155) USER MOD Set 9.2: A 133 TYR OH : rot 142:sc= 0.413 USER MOD Set10.1: A 98 THR OG1 : rot 153:sc= 0.425 USER MOD Set10.2: A 100 ASN B: amide:sc= 0.158 K(o=0.58,f=-0.76) USER MOD Set11.1: A 58 LYS NZ :NH3+ -156:sc= 1.38 (180deg=0.0119) USER MOD Set11.2: A 181 ASN : amide:sc= 0.478 K(o=1.9,f=-11!) USER MOD Set12.1: A 38 HIS : no HD1:sc= -5.68! K(o=-8!,f=3.2) USER MOD Set12.2: A 271 ASN : amide:sc= -2.33! K(o=-8!,f=-1.6) USER MOD Single : A 31 MET CE :methyl 162:sc= 0 (180deg=-0.281) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -143:sc= 1.62 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 1.3 X(o=1.3,f=1.3) USER MOD Single : A 37 GLN : amide:sc= 1.64 K(o=1.6,f=0.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.73 (180deg=1.71) USER MOD Single : A 44 SER OG : rot -27:sc= 1.31 USER MOD Single : A 45 TYR OH : rot 130:sc= 0.437 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 51 THR OG1 : rot 134:sc= 0.546 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.06 K(o=1.1,f=0.24) USER MOD Single : A 64 SER OG : rot 87:sc= 1.11 USER MOD Single : A 65 THR OG1 : rot 175:sc= 0.575 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.0857 USER MOD Single : A 68 ASN : amide:sc= 0.398 K(o=0.4,f=-8.1!) USER MOD Single : A 74 ASN : amide:sc= 2.3 K(o=2.3,f=1.4) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0661 (180deg=-0.292) USER MOD Single : A 77 TYR OH : rot 7:sc= 1.27 USER MOD Single : A 82 THR OG1 : rot -50:sc= 1.25 USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0246) USER MOD Single : A 87 ASN : amide:sc= 1.58 K(o=1.6,f=-0.46) USER MOD Single : A 94 ASN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN A: amide:sc= -0.0287 K(o=-0.029,f=-0.95) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00191) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 91:sc= 0.0782 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.855) USER MOD Single : A 119 MET CE :methyl -152:sc= 0 (180deg=-0.0794) USER MOD Single : A 120 THR OG1 : rot -173:sc= 0.797 USER MOD Single : A 134 GLN : amide:sc= 0.99 K(o=0.99,f=-0.29) USER MOD Single : A 140 THR OG1 : rot 167:sc= 1.09 USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= 1.45 K(o=1.4,f=-1.5!) USER MOD Single : A 147 LYS NZ :NH3+ -153:sc= 0.158 (180deg=-1.85!) USER MOD Single : A 153 ASN A: amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 153 ASN B: amide:sc= 0.605 K(o=0.6,f=-1.4!) USER MOD Single : A 156 ASN : amide:sc= -0.659 K(o=-0.66,f=-7.3!) USER MOD Single : A 158 ASN : amide:sc= 0.171 K(o=0.17,f=-0.82) USER MOD Single : A 165 ASN : amide:sc= -1.22! C(o=-1.2!,f=-5.1!) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 1.46 USER MOD Single : A 178 GLN : amide:sc= 1.16 K(o=1.2,f=-1.5!) USER MOD Single : A 188 HIS : no HE2:sc= -0.0445 K(o=0.27,f=-2.8!) USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 THR OG1 : rot 159:sc= 1.09 USER MOD Single : A 198 GLN : amide:sc= -0.917 K(o=-0.92,f=-4.1!) USER MOD Single : A 204 MET CE :methyl -171:sc= 0 (180deg=-0.0766) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 SER OG : rot -0:sc= 0.746 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 216 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 223 MET CE :methyl -165:sc= -0.262 (180deg=-0.543) USER MOD Single : A 226 THR OG1 : rot 180:sc= 0 USER MOD Single : A 228 GLN A: amide:sc= 1.24 K(o=1.2,f=-4.9!) USER MOD Single : A 228 GLN B: amide:sc= -2.47 K(o=-2.5,f=-6!) USER MOD Single : A 238 GLN : amide:sc= 0.0847 K(o=0.085,f=-2) USER MOD Single : A 240 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.5!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN : amide:sc= 0.511 K(o=0.51,f=-4.7!) USER MOD Single : A 252 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 MET CE :methyl 154:sc= -1.47 (180deg=-3.58!) USER MOD Single : A 265 THR OG1 : rot 81:sc= 1.1 USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 SER OG : rot 80:sc= 0.457 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 31.509 31.968 21.120 1.00 73.11 N ATOM 2 CA MET A 31 31.596 33.043 22.146 1.00 82.95 C ATOM 3 C MET A 31 31.376 34.422 21.461 1.00 83.46 C ATOM 4 O MET A 31 30.219 34.810 21.149 1.00 80.50 O ATOM 5 CB MET A 31 32.961 32.934 22.871 1.00 90.15 C ATOM 6 CG MET A 31 33.233 33.960 23.960 1.00 90.95 C ATOM 7 SD MET A 31 34.196 33.228 25.301 1.00109.03 S ATOM 8 CE MET A 31 35.592 32.510 24.413 1.00 98.70 C ATOM 0 HA MET A 31 30.904 32.947 22.819 1.00 82.95 H new ATOM 0 HB2 MET A 31 33.027 32.049 23.264 1.00 90.15 H new ATOM 0 HB3 MET A 31 33.664 33.002 22.207 1.00 90.15 H new ATOM 0 HG2 MET A 31 33.713 34.716 23.586 1.00 90.95 H new ATOM 0 HG3 MET A 31 32.394 34.300 24.307 1.00 90.95 H new ATOM 0 HE1 MET A 31 36.316 32.336 25.034 1.00 98.70 H new ATOM 0 HE2 MET A 31 35.317 31.678 23.996 1.00 98.70 H new ATOM 0 HE3 MET A 31 35.894 33.129 23.730 1.00 98.70 H new ATOM 9 N HIS A 32 32.483 35.140 21.232 1.00 66.45 N ATOM 10 CA HIS A 32 32.539 36.287 20.338 1.00 60.57 C ATOM 11 C HIS A 32 33.338 35.979 19.068 1.00 48.24 C ATOM 12 O HIS A 32 33.808 36.876 18.395 1.00 40.19 O ATOM 13 CB HIS A 32 33.148 37.475 21.069 1.00 62.91 C ATOM 14 CG HIS A 32 32.232 38.038 22.112 1.00 68.07 C ATOM 15 ND1 HIS A 32 32.482 37.925 23.464 1.00 65.52 N ATOM 16 CD2 HIS A 32 31.034 38.660 21.998 1.00 70.10 C ATOM 17 CE1 HIS A 32 31.487 38.470 24.139 1.00 72.42 C ATOM 18 NE2 HIS A 32 30.603 38.936 23.273 1.00 78.36 N ATOM 0 H HIS A 32 33.237 34.963 21.605 1.00 66.45 H new ATOM 0 HA HIS A 32 31.633 36.501 20.066 1.00 60.57 H new ATOM 0 HB2 HIS A 32 33.980 37.202 21.487 1.00 62.91 H new ATOM 0 HB3 HIS A 32 33.367 38.168 20.427 1.00 62.91 H new ATOM 0 HD2 HIS A 32 30.588 38.862 21.207 1.00 70.10 H new ATOM 0 HE1 HIS A 32 31.419 38.518 25.065 1.00 72.42 H new ATOM 0 HE2 HIS A 32 29.875 39.346 23.475 1.00 78.36 H new ATOM 19 N ILE A 33 33.457 34.697 18.753 1.00 40.95 N ATOM 20 CA ILE A 33 34.275 34.240 17.682 1.00 39.40 C ATOM 21 C ILE A 33 33.502 34.514 16.386 1.00 35.51 C ATOM 22 O ILE A 33 32.267 34.362 16.297 1.00 34.71 O ATOM 23 CB ILE A 33 34.575 32.730 17.845 1.00 45.38 C ATOM 24 CG1 ILE A 33 35.514 32.500 19.069 1.00 46.76 C ATOM 25 CG2 ILE A 33 35.171 32.144 16.565 1.00 41.25 C ATOM 26 CD1 ILE A 33 35.419 31.106 19.733 1.00 48.70 C ATOM 0 H ILE A 33 33.050 34.067 19.174 1.00 40.95 H new ATOM 0 HA ILE A 33 35.129 34.699 17.670 1.00 39.40 H new ATOM 0 HB ILE A 33 33.740 32.265 18.010 1.00 45.38 H new ATOM 0 HG12 ILE A 33 36.430 32.643 18.785 1.00 46.76 H new ATOM 0 HG13 ILE A 33 35.316 33.173 19.739 1.00 46.76 H new ATOM 0 HG21 ILE A 33 35.349 31.199 16.694 1.00 41.25 H new ATOM 0 HG22 ILE A 33 34.543 32.258 15.834 1.00 41.25 H new ATOM 0 HG23 ILE A 33 35.999 32.603 16.354 1.00 41.25 H new ATOM 0 HD11 ILE A 33 36.037 31.060 20.480 1.00 48.70 H new ATOM 0 HD12 ILE A 33 34.515 30.961 20.053 1.00 48.70 H new ATOM 0 HD13 ILE A 33 35.646 30.422 19.084 1.00 48.70 H new ATOM 27 N SER A 34 34.203 35.038 15.410 1.00 31.75 N ATOM 28 CA SER A 34 33.532 35.423 14.176 1.00 34.66 C ATOM 29 C SER A 34 33.110 34.145 13.490 1.00 32.69 C ATOM 30 O SER A 34 33.731 33.077 13.725 1.00 33.25 O ATOM 31 CB SER A 34 34.479 36.224 13.269 1.00 30.12 C ATOM 32 OG SER A 34 35.406 35.355 12.724 1.00 29.12 O ATOM 0 H SER A 34 35.051 35.181 15.431 1.00 31.75 H new ATOM 0 HA SER A 34 32.767 35.988 14.365 1.00 34.66 H new ATOM 0 HB2 SER A 34 33.978 36.666 12.566 1.00 30.12 H new ATOM 0 HB3 SER A 34 34.926 36.918 13.778 1.00 30.12 H new ATOM 0 HG SER A 34 36.153 35.736 12.677 1.00 29.12 H new ATOM 33 N SER A 35 32.089 34.216 12.642 1.00 28.02 N ATOM 34 CA SER A 35 31.770 33.032 11.861 1.00 30.25 C ATOM 35 C SER A 35 32.855 32.694 10.818 1.00 31.89 C ATOM 36 O SER A 35 33.070 31.512 10.549 1.00 28.57 O ATOM 37 CB SER A 35 30.410 33.129 11.239 1.00 30.21 C ATOM 38 OG SER A 35 30.523 33.907 10.157 1.00 31.58 O ATOM 0 H SER A 35 31.591 34.905 12.508 1.00 28.02 H new ATOM 0 HA SER A 35 31.753 32.289 12.485 1.00 30.25 H new ATOM 0 HB2 SER A 35 30.082 32.249 10.995 1.00 30.21 H new ATOM 0 HB3 SER A 35 29.773 33.506 11.866 1.00 30.21 H new ATOM 0 HG SER A 35 29.774 33.979 9.784 1.00 31.58 H new ATOM 39 N GLN A 36 33.527 33.702 10.244 1.00 28.72 N ATOM 40 CA GLN A 36 34.666 33.397 9.385 1.00 29.13 C ATOM 41 C GLN A 36 35.695 32.509 10.106 1.00 29.18 C ATOM 42 O GLN A 36 36.280 31.635 9.503 1.00 30.03 O ATOM 43 CB GLN A 36 35.361 34.677 8.896 1.00 28.69 C ATOM 44 CG GLN A 36 36.848 34.543 8.590 1.00 27.50 C ATOM 45 CD GLN A 36 37.481 35.863 8.109 1.00 29.92 C ATOM 46 OE1 GLN A 36 37.381 36.235 6.949 1.00 33.86 O ATOM 47 NE2 GLN A 36 38.128 36.553 9.002 1.00 30.13 N ATOM 0 H GLN A 36 33.344 34.537 10.337 1.00 28.72 H new ATOM 0 HA GLN A 36 34.314 32.916 8.620 1.00 29.13 H new ATOM 0 HB2 GLN A 36 34.909 34.986 8.095 1.00 28.69 H new ATOM 0 HB3 GLN A 36 35.247 35.366 9.570 1.00 28.69 H new ATOM 0 HG2 GLN A 36 37.311 34.238 9.386 1.00 27.50 H new ATOM 0 HG3 GLN A 36 36.974 33.862 7.910 1.00 27.50 H new ATOM 0 HE21 GLN A 36 38.182 36.266 9.811 1.00 30.13 H new ATOM 0 HE22 GLN A 36 38.502 37.296 8.783 1.00 30.13 H new ATOM 48 N GLN A 37 35.956 32.773 11.373 1.00 29.37 N ATOM 49 CA GLN A 37 36.922 31.983 12.106 1.00 30.83 C ATOM 50 C GLN A 37 36.444 30.558 12.431 1.00 26.79 C ATOM 51 O GLN A 37 37.229 29.624 12.385 1.00 27.51 O ATOM 52 CB GLN A 37 37.389 32.704 13.370 1.00 33.96 C ATOM 53 CG GLN A 37 38.556 32.022 14.073 1.00 46.34 C ATOM 54 CD GLN A 37 38.823 32.621 15.473 1.00 62.71 C ATOM 55 OE1 GLN A 37 38.726 33.849 15.685 1.00 64.67 O ATOM 56 NE2 GLN A 37 39.136 31.759 16.436 1.00 60.59 N ATOM 0 H GLN A 37 35.586 33.404 11.825 1.00 29.37 H new ATOM 0 HA GLN A 37 37.679 31.881 11.508 1.00 30.83 H new ATOM 0 HB2 GLN A 37 37.647 33.610 13.139 1.00 33.96 H new ATOM 0 HB3 GLN A 37 36.644 32.770 13.988 1.00 33.96 H new ATOM 0 HG2 GLN A 37 38.371 31.074 14.158 1.00 46.34 H new ATOM 0 HG3 GLN A 37 39.354 32.107 13.529 1.00 46.34 H new ATOM 0 HE21 GLN A 37 39.195 30.919 16.259 1.00 60.59 H new ATOM 0 HE22 GLN A 37 39.279 32.041 17.236 1.00 60.59 H new ATOM 57 N HIS A 38 35.208 30.417 12.857 1.00 25.00 N ATOM 58 CA HIS A 38 34.603 29.110 12.980 1.00 25.46 C ATOM 59 C HIS A 38 34.757 28.313 11.674 1.00 26.13 C ATOM 60 O HIS A 38 35.100 27.120 11.725 1.00 24.72 O ATOM 61 CB HIS A 38 33.129 29.210 13.293 1.00 26.04 C ATOM 62 CG HIS A 38 32.831 29.459 14.731 1.00 30.85 C ATOM 63 ND1 HIS A 38 31.831 30.320 15.149 1.00 37.06 N ATOM 64 CD2 HIS A 38 33.391 28.974 15.856 1.00 31.03 C ATOM 65 CE1 HIS A 38 31.786 30.340 16.468 1.00 29.95 C ATOM 66 NE2 HIS A 38 32.714 29.525 16.919 1.00 33.89 N ATOM 0 H HIS A 38 34.697 31.071 13.082 1.00 25.00 H new ATOM 0 HA HIS A 38 35.060 28.658 13.707 1.00 25.46 H new ATOM 0 HB2 HIS A 38 32.743 29.925 12.764 1.00 26.04 H new ATOM 0 HB3 HIS A 38 32.693 28.388 13.019 1.00 26.04 H new ATOM 0 HD2 HIS A 38 34.103 28.378 15.905 1.00 31.03 H new ATOM 0 HE1 HIS A 38 31.201 30.842 16.987 1.00 29.95 H new ATOM 0 HE2 HIS A 38 32.873 29.362 17.748 1.00 33.89 H new ATOM 67 N GLU A 39 34.521 28.965 10.529 1.00 23.26 N ATOM 68 CA GLU A 39 34.509 28.279 9.237 1.00 24.36 C ATOM 69 C GLU A 39 35.846 27.840 8.851 1.00 24.32 C ATOM 70 O GLU A 39 36.023 26.744 8.357 1.00 28.24 O ATOM 71 CB GLU A 39 34.004 29.149 8.164 1.00 25.62 C ATOM 72 CG GLU A 39 32.509 29.290 8.232 1.00 29.13 C ATOM 73 CD GLU A 39 31.922 30.307 7.260 1.00 31.39 C ATOM 74 OE1 GLU A 39 30.740 30.557 7.435 1.00 32.25 O ATOM 75 OE2 GLU A 39 32.587 30.802 6.316 1.00 33.86 O ATOM 0 H GLU A 39 34.365 29.809 10.483 1.00 23.26 H new ATOM 0 HA GLU A 39 33.924 27.514 9.349 1.00 24.36 H new ATOM 0 HB2 GLU A 39 34.417 30.024 8.233 1.00 25.62 H new ATOM 0 HB3 GLU A 39 34.257 28.783 7.302 1.00 25.62 H new ATOM 0 HG2 GLU A 39 32.106 28.425 8.059 1.00 29.13 H new ATOM 0 HG3 GLU A 39 32.261 29.543 9.135 1.00 29.13 H new ATOM 76 N LYS A 40 36.797 28.698 9.086 1.00 24.78 N ATOM 77 CA LYS A 40 38.190 28.391 8.894 1.00 27.71 C ATOM 78 C LYS A 40 38.710 27.337 9.892 1.00 26.97 C ATOM 79 O LYS A 40 39.423 26.412 9.499 1.00 30.47 O ATOM 80 CB LYS A 40 38.970 29.677 9.012 1.00 31.44 C ATOM 81 CG LYS A 40 40.462 29.515 8.986 1.00 36.45 C ATOM 82 CD LYS A 40 41.129 30.785 9.523 1.00 41.62 C ATOM 83 CE LYS A 40 42.628 30.584 9.724 1.00 49.85 C ATOM 84 NZ LYS A 40 43.417 31.794 9.313 1.00 52.54 N ATOM 0 H LYS A 40 36.653 29.497 9.369 1.00 24.78 H new ATOM 0 HA LYS A 40 38.306 28.000 8.014 1.00 27.71 H new ATOM 0 HB2 LYS A 40 38.709 30.266 8.287 1.00 31.44 H new ATOM 0 HB3 LYS A 40 38.720 30.117 9.839 1.00 31.44 H new ATOM 0 HG2 LYS A 40 40.722 28.751 9.523 1.00 36.45 H new ATOM 0 HG3 LYS A 40 40.761 29.340 8.080 1.00 36.45 H new ATOM 0 HD2 LYS A 40 40.979 31.517 8.905 1.00 41.62 H new ATOM 0 HD3 LYS A 40 40.719 31.036 10.365 1.00 41.62 H new ATOM 0 HE2 LYS A 40 42.805 30.385 10.657 1.00 49.85 H new ATOM 0 HE3 LYS A 40 42.923 29.816 9.209 1.00 49.85 H new ATOM 0 HZ1 LYS A 40 44.284 31.642 9.443 1.00 52.54 H new ATOM 0 HZ2 LYS A 40 43.272 31.964 8.452 1.00 52.54 H new ATOM 0 HZ3 LYS A 40 43.163 32.494 9.800 1.00 52.54 H new ATOM 85 N ALA A 41 38.365 27.429 11.169 1.00 24.71 N ATOM 86 CA ALA A 41 38.764 26.372 12.099 1.00 24.49 C ATOM 87 C ALA A 41 38.269 24.957 11.670 1.00 24.18 C ATOM 88 O ALA A 41 39.010 24.038 11.552 1.00 25.07 O ATOM 89 CB ALA A 41 38.325 26.690 13.495 1.00 23.80 C ATOM 0 H ALA A 41 37.913 28.074 11.514 1.00 24.71 H new ATOM 0 HA ALA A 41 39.733 26.342 12.075 1.00 24.49 H new ATOM 0 HB1 ALA A 41 38.600 25.976 14.091 1.00 23.80 H new ATOM 0 HB2 ALA A 41 38.731 27.524 13.780 1.00 23.80 H new ATOM 0 HB3 ALA A 41 37.359 26.776 13.519 1.00 23.80 H new ATOM 90 N ILE A 42 37.011 24.823 11.380 1.00 25.60 N ATOM 91 CA ILE A 42 36.471 23.533 10.951 1.00 25.18 C ATOM 92 C ILE A 42 37.054 23.103 9.585 1.00 23.19 C ATOM 93 O ILE A 42 37.326 21.959 9.402 1.00 23.12 O ATOM 94 CB ILE A 42 34.907 23.566 10.921 1.00 21.89 C ATOM 95 CG1 ILE A 42 34.388 23.898 12.310 1.00 22.64 C ATOM 96 CG2 ILE A 42 34.311 22.268 10.438 1.00 21.66 C ATOM 97 CD1 ILE A 42 32.919 24.302 12.336 1.00 24.48 C ATOM 0 H ILE A 42 36.434 25.460 11.419 1.00 25.60 H new ATOM 0 HA ILE A 42 36.741 22.866 11.601 1.00 25.18 H new ATOM 0 HB ILE A 42 34.636 24.250 10.289 1.00 21.89 H new ATOM 0 HG12 ILE A 42 34.513 23.128 12.886 1.00 22.64 H new ATOM 0 HG13 ILE A 42 34.920 24.619 12.681 1.00 22.64 H new ATOM 0 HG21 ILE A 42 33.343 22.337 10.437 1.00 21.66 H new ATOM 0 HG22 ILE A 42 34.623 22.084 9.538 1.00 21.66 H new ATOM 0 HG23 ILE A 42 34.583 21.548 11.028 1.00 21.66 H new ATOM 0 HD11 ILE A 42 32.654 24.499 13.248 1.00 24.48 H new ATOM 0 HD12 ILE A 42 32.790 25.089 11.784 1.00 24.48 H new ATOM 0 HD13 ILE A 42 32.377 23.575 11.992 1.00 24.48 H new ATOM 98 N LYS A 43 37.190 23.977 8.615 1.00 22.18 N ATOM 99 CA LYS A 43 37.873 23.545 7.362 1.00 22.27 C ATOM 100 C LYS A 43 39.278 23.002 7.654 1.00 22.40 C ATOM 101 O LYS A 43 39.709 21.995 7.041 1.00 23.62 O ATOM 102 CB LYS A 43 37.888 24.653 6.316 1.00 22.81 C ATOM 103 CG LYS A 43 38.971 24.602 5.272 1.00 22.82 C ATOM 104 CD LYS A 43 38.803 25.719 4.216 1.00 23.09 C ATOM 105 CE LYS A 43 39.808 25.608 3.104 1.00 23.10 C ATOM 106 NZ LYS A 43 41.238 25.631 3.565 1.00 23.95 N ATOM 0 H LYS A 43 36.917 24.792 8.633 1.00 22.18 H new ATOM 0 HA LYS A 43 37.358 22.815 6.983 1.00 22.27 H new ATOM 0 HB2 LYS A 43 37.032 24.648 5.861 1.00 22.81 H new ATOM 0 HB3 LYS A 43 37.957 25.502 6.779 1.00 22.81 H new ATOM 0 HG2 LYS A 43 39.837 24.689 5.700 1.00 22.82 H new ATOM 0 HG3 LYS A 43 38.957 23.737 4.833 1.00 22.82 H new ATOM 0 HD2 LYS A 43 37.908 25.679 3.845 1.00 23.09 H new ATOM 0 HD3 LYS A 43 38.893 26.584 4.646 1.00 23.09 H new ATOM 0 HE2 LYS A 43 39.648 24.784 2.618 1.00 23.10 H new ATOM 0 HE3 LYS A 43 39.668 26.337 2.480 1.00 23.10 H new ATOM 0 HZ1 LYS A 43 41.778 25.577 2.860 1.00 23.95 H new ATOM 0 HZ2 LYS A 43 41.397 26.390 4.002 1.00 23.95 H new ATOM 0 HZ3 LYS A 43 41.387 24.940 4.106 1.00 23.95 H new ATOM 107 N SER A 44 39.955 23.566 8.656 1.00 23.04 N ATOM 108 CA SER A 44 41.339 23.094 8.986 1.00 25.20 C ATOM 109 C SER A 44 41.350 21.711 9.603 1.00 26.46 C ATOM 110 O SER A 44 42.374 21.041 9.545 1.00 26.20 O ATOM 111 CB SER A 44 42.117 24.043 9.915 1.00 22.95 C ATOM 112 OG SER A 44 41.577 24.025 11.219 1.00 26.49 O ATOM 0 H SER A 44 39.658 24.203 9.152 1.00 23.04 H new ATOM 0 HA SER A 44 41.786 23.074 8.125 1.00 25.20 H new ATOM 0 HB2 SER A 44 43.050 23.781 9.944 1.00 22.95 H new ATOM 0 HB3 SER A 44 42.087 24.945 9.561 1.00 22.95 H new ATOM 0 HG SER A 44 40.761 23.828 11.182 1.00 26.49 H new ATOM 113 N TYR A 45 40.259 21.282 10.246 1.00 27.24 N ATOM 114 CA TYR A 45 40.274 19.907 10.780 1.00 25.80 C ATOM 115 C TYR A 45 40.251 18.922 9.631 1.00 26.16 C ATOM 116 O TYR A 45 40.893 17.883 9.702 1.00 25.97 O ATOM 117 CB TYR A 45 39.121 19.651 11.752 1.00 28.19 C ATOM 118 CG TYR A 45 38.993 20.679 12.875 1.00 30.38 C ATOM 119 CD1 TYR A 45 40.145 21.261 13.491 1.00 29.36 C ATOM 120 CD2 TYR A 45 37.732 21.103 13.301 1.00 29.29 C ATOM 121 CE1 TYR A 45 40.005 22.238 14.479 1.00 30.06 C ATOM 122 CE2 TYR A 45 37.575 22.045 14.304 1.00 28.69 C ATOM 123 CZ TYR A 45 38.696 22.623 14.900 1.00 30.85 C ATOM 124 OH TYR A 45 38.510 23.563 15.917 1.00 28.09 O ATOM 0 H TYR A 45 39.540 21.735 10.380 1.00 27.24 H new ATOM 0 HA TYR A 45 41.091 19.787 11.289 1.00 25.80 H new ATOM 0 HB2 TYR A 45 38.290 19.632 11.251 1.00 28.19 H new ATOM 0 HB3 TYR A 45 39.235 18.772 12.146 1.00 28.19 H new ATOM 0 HD1 TYR A 45 40.995 20.986 13.231 1.00 29.36 H new ATOM 0 HD2 TYR A 45 36.975 20.742 12.899 1.00 29.29 H new ATOM 0 HE1 TYR A 45 40.756 22.634 14.859 1.00 30.06 H new ATOM 0 HE2 TYR A 45 36.722 22.292 14.580 1.00 28.69 H new ATOM 0 HH TYR A 45 37.972 24.154 15.658 1.00 28.09 H new ATOM 125 N PHE A 46 39.546 19.266 8.541 1.00 27.35 N ATOM 126 CA PHE A 46 39.517 18.384 7.370 1.00 25.39 C ATOM 127 C PHE A 46 40.821 18.438 6.555 1.00 24.96 C ATOM 128 O PHE A 46 41.334 17.414 6.079 1.00 26.57 O ATOM 129 CB PHE A 46 38.328 18.681 6.495 1.00 24.92 C ATOM 130 CG PHE A 46 36.972 18.325 7.100 1.00 23.49 C ATOM 131 CD1 PHE A 46 36.357 19.171 7.966 1.00 24.70 C ATOM 132 CD2 PHE A 46 36.273 17.185 6.693 1.00 23.81 C ATOM 133 CE1 PHE A 46 35.107 18.870 8.519 1.00 23.53 C ATOM 134 CE2 PHE A 46 35.014 16.885 7.198 1.00 24.25 C ATOM 135 CZ PHE A 46 34.418 17.736 8.113 1.00 22.71 C ATOM 0 H PHE A 46 39.089 19.990 8.463 1.00 27.35 H new ATOM 0 HA PHE A 46 39.433 17.479 7.709 1.00 25.39 H new ATOM 0 HB2 PHE A 46 38.332 19.627 6.279 1.00 24.92 H new ATOM 0 HB3 PHE A 46 38.430 18.199 5.660 1.00 24.92 H new ATOM 0 HD1 PHE A 46 36.776 19.969 8.197 1.00 24.70 H new ATOM 0 HD2 PHE A 46 36.660 16.614 6.069 1.00 23.81 H new ATOM 0 HE1 PHE A 46 34.737 19.432 9.161 1.00 23.53 H new ATOM 0 HE2 PHE A 46 34.573 16.114 6.922 1.00 24.25 H new ATOM 0 HZ PHE A 46 33.571 17.551 8.450 1.00 22.71 H new ATOM 136 N ASP A 47 41.371 19.624 6.438 1.00 26.58 N ATOM 137 CA ASP A 47 42.667 19.853 5.779 1.00 28.21 C ATOM 138 C ASP A 47 43.754 19.086 6.504 1.00 29.56 C ATOM 139 O ASP A 47 44.547 18.433 5.830 1.00 26.94 O ATOM 140 CB ASP A 47 43.060 21.366 5.699 1.00 26.40 C ATOM 141 CG ASP A 47 42.127 22.166 4.770 1.00 28.64 C ATOM 142 OD1 ASP A 47 41.578 21.580 3.823 1.00 28.22 O ATOM 143 OD2 ASP A 47 41.896 23.388 4.955 1.00 30.03 O ATOM 0 H ASP A 47 41.007 20.342 6.740 1.00 26.58 H new ATOM 0 HA ASP A 47 42.575 19.535 4.867 1.00 28.21 H new ATOM 0 HB2 ASP A 47 43.035 21.752 6.589 1.00 26.40 H new ATOM 0 HB3 ASP A 47 43.973 21.444 5.382 1.00 26.40 H new ATOM 144 N GLU A 48 43.773 19.119 7.842 1.00 31.94 N ATOM 145 CA GLU A 48 44.841 18.451 8.605 1.00 39.35 C ATOM 146 C GLU A 48 44.776 16.939 8.370 1.00 37.97 C ATOM 147 O GLU A 48 45.801 16.317 8.208 1.00 34.75 O ATOM 148 CB GLU A 48 44.726 18.654 10.105 1.00 45.50 C ATOM 149 CG GLU A 48 45.438 19.852 10.694 1.00 55.84 C ATOM 150 CD GLU A 48 44.677 20.467 11.917 1.00 68.04 C ATOM 151 OE1 GLU A 48 44.809 21.708 12.077 1.00 67.38 O ATOM 152 OE2 GLU A 48 43.935 19.756 12.710 1.00 55.41 O ATOM 0 H GLU A 48 43.183 19.518 8.324 1.00 31.94 H new ATOM 0 HA GLU A 48 45.671 18.845 8.293 1.00 39.35 H new ATOM 0 HB2 GLU A 48 43.785 18.723 10.328 1.00 45.50 H new ATOM 0 HB3 GLU A 48 45.064 17.857 10.544 1.00 45.50 H new ATOM 0 HG2 GLU A 48 46.330 19.589 10.972 1.00 55.84 H new ATOM 0 HG3 GLU A 48 45.543 20.530 10.009 1.00 55.84 H new ATOM 153 N ALA A 49 43.575 16.365 8.351 1.00 33.74 N ATOM 154 CA ALA A 49 43.408 14.943 8.079 1.00 32.96 C ATOM 155 C ALA A 49 43.729 14.630 6.616 1.00 36.37 C ATOM 156 O ALA A 49 43.659 13.525 6.171 1.00 41.23 O ATOM 157 CB ALA A 49 41.976 14.547 8.383 1.00 32.21 C ATOM 0 H ALA A 49 42.840 16.787 8.495 1.00 33.74 H new ATOM 0 HA ALA A 49 44.019 14.440 8.640 1.00 32.96 H new ATOM 0 HB1 ALA A 49 41.857 13.601 8.204 1.00 32.21 H new ATOM 0 HB2 ALA A 49 41.782 14.726 9.316 1.00 32.21 H new ATOM 0 HB3 ALA A 49 41.372 15.060 7.823 1.00 32.21 H new ATOM 158 N GLN A 50 44.008 15.629 5.827 1.00 40.02 N ATOM 159 CA GLN A 50 44.270 15.393 4.399 1.00 48.19 C ATOM 160 C GLN A 50 43.171 14.636 3.708 1.00 39.75 C ATOM 161 O GLN A 50 43.425 13.719 2.938 1.00 43.13 O ATOM 162 CB GLN A 50 45.596 14.696 4.202 1.00 50.29 C ATOM 163 CG GLN A 50 46.726 15.548 4.761 1.00 56.18 C ATOM 164 CD GLN A 50 48.022 15.133 4.166 1.00 59.05 C ATOM 165 OE1 GLN A 50 48.245 15.280 2.963 1.00 67.06 O ATOM 166 NE2 GLN A 50 48.863 14.562 4.978 1.00 60.67 N ATOM 0 H GLN A 50 44.055 16.451 6.076 1.00 40.02 H new ATOM 0 HA GLN A 50 44.305 16.269 3.984 1.00 48.19 H new ATOM 0 HB2 GLN A 50 45.584 13.833 4.644 1.00 50.29 H new ATOM 0 HB3 GLN A 50 45.744 14.529 3.258 1.00 50.29 H new ATOM 0 HG2 GLN A 50 46.559 16.484 4.570 1.00 56.18 H new ATOM 0 HG3 GLN A 50 46.762 15.458 5.726 1.00 56.18 H new ATOM 0 HE21 GLN A 50 48.668 14.480 5.811 1.00 60.67 H new ATOM 0 HE22 GLN A 50 49.614 14.267 4.681 1.00 60.67 H new ATOM 167 N THR A 51 41.941 15.056 3.970 1.00 31.85 N ATOM 168 CA THR A 51 40.832 14.488 3.253 1.00 29.12 C ATOM 169 C THR A 51 39.929 15.580 2.799 1.00 26.67 C ATOM 170 O THR A 51 40.220 16.740 3.012 1.00 29.65 O ATOM 171 CB THR A 51 40.097 13.418 4.075 1.00 28.93 C ATOM 172 OG1 THR A 51 39.149 12.822 3.238 1.00 29.92 O ATOM 173 CG2 THR A 51 39.405 13.981 5.298 1.00 28.35 C ATOM 0 H THR A 51 41.737 15.658 4.549 1.00 31.85 H new ATOM 0 HA THR A 51 41.169 14.024 2.471 1.00 29.12 H new ATOM 0 HB THR A 51 40.751 12.779 4.399 1.00 28.93 H new ATOM 0 HG1 THR A 51 39.187 11.987 3.322 1.00 29.92 H new ATOM 0 HG21 THR A 51 38.960 13.264 5.777 1.00 28.35 H new ATOM 0 HG22 THR A 51 40.061 14.398 5.878 1.00 28.35 H new ATOM 0 HG23 THR A 51 38.750 14.642 5.024 1.00 28.35 H new ATOM 174 N GLN A 52 38.889 15.191 2.093 1.00 25.67 N ATOM 175 CA GLN A 52 37.875 16.098 1.634 1.00 27.07 C ATOM 176 C GLN A 52 36.586 15.667 2.335 1.00 26.78 C ATOM 177 O GLN A 52 36.241 14.487 2.288 1.00 31.81 O ATOM 178 CB GLN A 52 37.716 16.055 0.122 1.00 26.05 C ATOM 179 CG GLN A 52 39.020 16.343 -0.644 1.00 29.56 C ATOM 180 CD GLN A 52 39.777 15.091 -0.918 1.00 24.45 C ATOM 181 OE1 GLN A 52 39.176 14.126 -1.284 1.00 24.74 O ATOM 182 NE2 GLN A 52 41.061 15.059 -0.591 1.00 28.16 N ATOM 0 H GLN A 52 38.753 14.373 1.864 1.00 25.67 H new ATOM 0 HA GLN A 52 38.110 17.015 1.844 1.00 27.07 H new ATOM 0 HB2 GLN A 52 37.385 15.181 -0.136 1.00 26.05 H new ATOM 0 HB3 GLN A 52 37.044 16.702 -0.143 1.00 26.05 H new ATOM 0 HG2 GLN A 52 38.814 16.788 -1.481 1.00 29.56 H new ATOM 0 HG3 GLN A 52 39.573 16.951 -0.128 1.00 29.56 H new ATOM 0 HE21 GLN A 52 41.457 15.777 -0.332 1.00 28.16 H new ATOM 0 HE22 GLN A 52 41.498 14.320 -0.638 1.00 28.16 H new ATOM 183 N GLY A 53 35.918 16.606 3.005 1.00 23.90 N ATOM 184 CA GLY A 53 34.647 16.309 3.674 1.00 25.95 C ATOM 185 C GLY A 53 33.809 17.505 4.103 1.00 23.14 C ATOM 186 O GLY A 53 34.201 18.641 3.953 1.00 22.62 O ATOM 0 H GLY A 53 36.182 17.421 3.085 1.00 23.90 H new ATOM 0 HA2 GLY A 53 34.112 15.761 3.079 1.00 25.95 H new ATOM 0 HA3 GLY A 53 34.836 15.773 4.460 1.00 25.95 H new ATOM 187 N VAL A 54 32.659 17.225 4.662 1.00 21.85 N ATOM 188 CA VAL A 54 31.734 18.243 5.086 1.00 22.31 C ATOM 189 C VAL A 54 31.150 17.816 6.424 1.00 21.95 C ATOM 190 O VAL A 54 31.106 16.610 6.766 1.00 20.12 O ATOM 191 CB VAL A 54 30.704 18.422 3.963 1.00 26.38 C ATOM 192 CG1 VAL A 54 29.650 17.331 3.968 1.00 28.67 C ATOM 193 CG2 VAL A 54 30.074 19.751 4.066 1.00 34.65 C ATOM 0 H VAL A 54 32.387 16.423 4.810 1.00 21.85 H new ATOM 0 HA VAL A 54 32.144 19.110 5.232 1.00 22.31 H new ATOM 0 HB VAL A 54 31.177 18.353 3.119 1.00 26.38 H new ATOM 0 HG11 VAL A 54 29.022 17.484 3.244 1.00 28.67 H new ATOM 0 HG12 VAL A 54 30.077 16.468 3.849 1.00 28.67 H new ATOM 0 HG13 VAL A 54 29.176 17.343 4.814 1.00 28.67 H new ATOM 0 HG21 VAL A 54 29.424 19.857 3.354 1.00 34.65 H new ATOM 0 HG22 VAL A 54 29.629 19.833 4.924 1.00 34.65 H new ATOM 0 HG23 VAL A 54 30.754 20.439 3.988 1.00 34.65 H new ATOM 194 N ILE A 55 30.762 18.782 7.240 1.00 24.67 N ATOM 195 CA ILE A 55 29.952 18.481 8.411 1.00 22.65 C ATOM 196 C ILE A 55 28.811 19.425 8.419 1.00 25.01 C ATOM 197 O ILE A 55 28.996 20.654 8.455 1.00 24.65 O ATOM 198 CB ILE A 55 30.698 18.470 9.770 1.00 25.03 C ATOM 199 CG1 ILE A 55 29.714 18.123 10.912 1.00 24.60 C ATOM 200 CG2 ILE A 55 31.393 19.792 10.146 1.00 27.14 C ATOM 201 CD1 ILE A 55 30.382 17.786 12.241 1.00 24.42 C ATOM 0 H ILE A 55 30.954 19.614 7.136 1.00 24.67 H new ATOM 0 HA ILE A 55 29.658 17.561 8.326 1.00 22.65 H new ATOM 0 HB ILE A 55 31.392 17.802 9.660 1.00 25.03 H new ATOM 0 HG12 ILE A 55 29.114 18.873 11.046 1.00 24.60 H new ATOM 0 HG13 ILE A 55 29.169 17.369 10.636 1.00 24.60 H new ATOM 0 HG21 ILE A 55 31.831 19.694 11.006 1.00 27.14 H new ATOM 0 HG22 ILE A 55 32.053 20.015 9.471 1.00 27.14 H new ATOM 0 HG23 ILE A 55 30.733 20.501 10.199 1.00 27.14 H new ATOM 0 HD11 ILE A 55 29.702 17.581 12.902 1.00 24.42 H new ATOM 0 HD12 ILE A 55 30.963 17.018 12.126 1.00 24.42 H new ATOM 0 HD13 ILE A 55 30.906 18.545 12.541 1.00 24.42 H new ATOM 202 N ILE A 56 27.618 18.833 8.431 1.00 26.73 N ATOM 203 CA ILE A 56 26.364 19.569 8.391 1.00 26.24 C ATOM 204 C ILE A 56 25.727 19.558 9.794 1.00 27.36 C ATOM 205 O ILE A 56 25.570 18.501 10.387 1.00 29.70 O ATOM 206 CB ILE A 56 25.437 18.946 7.334 1.00 26.71 C ATOM 207 CG1 ILE A 56 26.265 18.731 6.060 1.00 26.28 C ATOM 208 CG2 ILE A 56 24.221 19.836 7.060 1.00 26.52 C ATOM 209 CD1 ILE A 56 25.477 18.630 4.829 1.00 28.67 C ATOM 0 H ILE A 56 27.517 17.980 8.463 1.00 26.73 H new ATOM 0 HA ILE A 56 26.519 20.493 8.139 1.00 26.24 H new ATOM 0 HB ILE A 56 25.089 18.100 7.656 1.00 26.71 H new ATOM 0 HG12 ILE A 56 26.893 19.465 5.969 1.00 26.28 H new ATOM 0 HG13 ILE A 56 26.789 17.921 6.162 1.00 26.28 H new ATOM 0 HG21 ILE A 56 23.657 19.417 6.391 1.00 26.52 H new ATOM 0 HG22 ILE A 56 23.716 19.955 7.879 1.00 26.52 H new ATOM 0 HG23 ILE A 56 24.519 20.700 6.736 1.00 26.52 H new ATOM 0 HD11 ILE A 56 26.071 18.496 4.074 1.00 28.67 H new ATOM 0 HD12 ILE A 56 24.866 17.880 4.896 1.00 28.67 H new ATOM 0 HD13 ILE A 56 24.971 19.448 4.700 1.00 28.67 H new ATOM 210 N ILE A 57 25.432 20.746 10.326 1.00 28.00 N ATOM 211 CA ILE A 57 24.823 20.911 11.613 1.00 29.57 C ATOM 212 C ILE A 57 23.414 21.538 11.477 1.00 26.94 C ATOM 213 O ILE A 57 23.178 22.395 10.661 1.00 27.75 O ATOM 214 CB ILE A 57 25.606 21.873 12.507 1.00 32.03 C ATOM 215 CG1 ILE A 57 27.119 21.624 12.553 1.00 34.78 C ATOM 216 CG2 ILE A 57 25.040 21.787 13.894 1.00 35.06 C ATOM 217 CD1 ILE A 57 27.528 20.328 13.140 1.00 33.20 C ATOM 0 H ILE A 57 25.591 21.490 9.925 1.00 28.00 H new ATOM 0 HA ILE A 57 24.797 20.022 12.001 1.00 29.57 H new ATOM 0 HB ILE A 57 25.505 22.757 12.122 1.00 32.03 H new ATOM 0 HG12 ILE A 57 27.469 21.678 11.650 1.00 34.78 H new ATOM 0 HG13 ILE A 57 27.534 22.338 13.061 1.00 34.78 H new ATOM 0 HG21 ILE A 57 25.524 22.391 14.479 1.00 35.06 H new ATOM 0 HG22 ILE A 57 24.102 22.035 13.877 1.00 35.06 H new ATOM 0 HG23 ILE A 57 25.128 20.879 14.224 1.00 35.06 H new ATOM 0 HD11 ILE A 57 28.495 20.258 13.128 1.00 33.20 H new ATOM 0 HD12 ILE A 57 27.212 20.273 14.055 1.00 33.20 H new ATOM 0 HD13 ILE A 57 27.145 19.603 12.622 1.00 33.20 H new ATOM 218 N LYS A 58 22.501 21.189 12.351 1.00 27.60 N ATOM 219 CA LYS A 58 21.158 21.760 12.240 1.00 30.11 C ATOM 220 C LYS A 58 20.705 22.289 13.580 1.00 32.06 C ATOM 221 O LYS A 58 20.644 21.523 14.525 1.00 32.76 O ATOM 222 CB LYS A 58 20.247 20.697 11.715 1.00 29.70 C ATOM 223 CG LYS A 58 18.859 21.146 11.531 1.00 33.79 C ATOM 224 CD LYS A 58 18.208 20.303 10.463 1.00 36.10 C ATOM 225 CE LYS A 58 16.746 20.602 10.419 1.00 34.42 C ATOM 226 NZ LYS A 58 16.166 19.474 9.711 1.00 36.31 N ATOM 0 H LYS A 58 22.620 20.640 13.002 1.00 27.60 H new ATOM 0 HA LYS A 58 21.150 22.512 11.627 1.00 30.11 H new ATOM 0 HB2 LYS A 58 20.591 20.378 10.866 1.00 29.70 H new ATOM 0 HB3 LYS A 58 20.256 19.943 12.326 1.00 29.70 H new ATOM 0 HG2 LYS A 58 18.369 21.069 12.364 1.00 33.79 H new ATOM 0 HG3 LYS A 58 18.840 22.082 11.277 1.00 33.79 H new ATOM 0 HD2 LYS A 58 18.612 20.487 9.601 1.00 36.10 H new ATOM 0 HD3 LYS A 58 18.350 19.362 10.648 1.00 36.10 H new ATOM 0 HE2 LYS A 58 16.376 20.687 11.312 1.00 34.42 H new ATOM 0 HE3 LYS A 58 16.570 21.437 9.958 1.00 34.42 H new ATOM 0 HZ1 LYS A 58 15.394 19.719 9.343 1.00 36.31 H new ATOM 0 HZ2 LYS A 58 16.725 19.204 9.074 1.00 36.31 H new ATOM 0 HZ3 LYS A 58 16.023 18.806 10.282 1.00 36.31 H new ATOM 227 N GLU A 59 20.498 23.612 13.697 1.00 36.03 N ATOM 228 CA GLU A 59 19.953 24.212 14.934 1.00 36.57 C ATOM 229 C GLU A 59 18.543 24.624 14.648 1.00 35.71 C ATOM 230 O GLU A 59 18.307 25.478 13.830 1.00 36.41 O ATOM 231 CB GLU A 59 20.830 25.358 15.455 1.00 40.37 C ATOM 232 CG GLU A 59 22.333 24.996 15.393 1.00 45.32 C ATOM 233 CD GLU A 59 23.254 25.527 16.514 1.00 56.74 C ATOM 234 OE1 GLU A 59 24.402 25.966 16.192 1.00 61.87 O ATOM 235 OE2 GLU A 59 22.900 25.450 17.724 1.00 62.06 O ATOM 0 H GLU A 59 20.666 24.180 13.073 1.00 36.03 H new ATOM 0 HA GLU A 59 19.955 23.565 15.656 1.00 36.57 H new ATOM 0 HB2 GLU A 59 20.667 26.157 14.929 1.00 40.37 H new ATOM 0 HB3 GLU A 59 20.583 25.565 16.370 1.00 40.37 H new ATOM 0 HG2 GLU A 59 22.405 24.029 15.382 1.00 45.32 H new ATOM 0 HG3 GLU A 59 22.681 25.316 14.546 1.00 45.32 H new ATOM 236 N GLY A 60 17.604 23.941 15.279 1.00 33.29 N ATOM 237 CA GLY A 60 16.204 24.127 15.041 1.00 28.86 C ATOM 238 C GLY A 60 15.906 23.811 13.592 1.00 34.54 C ATOM 239 O GLY A 60 16.136 22.691 13.096 1.00 39.20 O ATOM 0 H GLY A 60 17.777 23.342 15.872 1.00 33.29 H new ATOM 0 HA2 GLY A 60 15.685 23.550 15.623 1.00 28.86 H new ATOM 0 HA3 GLY A 60 15.948 25.040 15.245 1.00 28.86 H new ATOM 240 N LYS A 61 15.444 24.808 12.870 1.00 34.87 N ATOM 241 CA LYS A 61 15.247 24.640 11.460 1.00 39.71 C ATOM 242 C LYS A 61 16.465 25.027 10.616 1.00 32.73 C ATOM 243 O LYS A 61 16.453 24.787 9.463 1.00 34.61 O ATOM 244 CB LYS A 61 13.991 25.397 10.997 1.00 51.13 C ATOM 245 CG LYS A 61 12.706 24.635 11.337 1.00 58.79 C ATOM 246 CD LYS A 61 11.474 25.458 11.005 1.00 71.75 C ATOM 247 CE LYS A 61 10.223 24.840 11.612 1.00 79.52 C ATOM 248 NZ LYS A 61 8.984 25.423 11.014 1.00 85.61 N ATOM 0 H LYS A 61 15.240 25.585 13.178 1.00 34.87 H new ATOM 0 HA LYS A 61 15.119 23.689 11.315 1.00 39.71 H new ATOM 0 HB2 LYS A 61 13.968 26.272 11.416 1.00 51.13 H new ATOM 0 HB3 LYS A 61 14.036 25.542 10.039 1.00 51.13 H new ATOM 0 HG2 LYS A 61 12.682 23.800 10.844 1.00 58.79 H new ATOM 0 HG3 LYS A 61 12.702 24.408 12.280 1.00 58.79 H new ATOM 0 HD2 LYS A 61 11.586 26.362 11.338 1.00 71.75 H new ATOM 0 HD3 LYS A 61 11.373 25.521 10.042 1.00 71.75 H new ATOM 0 HE2 LYS A 61 10.232 23.880 11.470 1.00 79.52 H new ATOM 0 HE3 LYS A 61 10.221 24.985 12.571 1.00 79.52 H new ATOM 0 HZ1 LYS A 61 8.269 25.045 11.385 1.00 85.61 H new ATOM 0 HZ2 LYS A 61 8.967 26.300 11.163 1.00 85.61 H new ATOM 0 HZ3 LYS A 61 8.977 25.271 10.137 1.00 85.61 H new ATOM 249 N ASN A 62 17.544 25.552 11.164 1.00 29.15 N ATOM 250 CA ASN A 62 18.556 26.092 10.289 1.00 29.69 C ATOM 251 C ASN A 62 19.695 25.152 10.025 1.00 27.60 C ATOM 252 O ASN A 62 20.316 24.769 10.938 1.00 26.85 O ATOM 253 CB ASN A 62 19.101 27.416 10.839 1.00 28.71 C ATOM 254 CG ASN A 62 19.970 28.143 9.803 1.00 31.39 C ATOM 255 OD1 ASN A 62 19.600 28.257 8.614 1.00 26.51 O ATOM 256 ND2 ASN A 62 21.172 28.585 10.228 1.00 30.36 N ATOM 0 H ASN A 62 17.705 25.604 12.007 1.00 29.15 H new ATOM 0 HA ASN A 62 18.111 26.240 9.440 1.00 29.69 H new ATOM 0 HB2 ASN A 62 18.362 27.987 11.101 1.00 28.71 H new ATOM 0 HB3 ASN A 62 19.624 27.245 11.638 1.00 28.71 H new ATOM 0 HD21 ASN A 62 21.713 28.960 9.674 1.00 30.36 H new ATOM 0 HD22 ASN A 62 21.397 28.492 11.053 1.00 30.36 H new ATOM 257 N LEU A 63 20.002 24.847 8.768 1.00 28.78 N ATOM 258 CA LEU A 63 21.099 23.916 8.411 1.00 33.02 C ATOM 259 C LEU A 63 22.358 24.639 8.054 1.00 34.75 C ATOM 260 O LEU A 63 22.302 25.453 7.153 1.00 34.64 O ATOM 261 CB LEU A 63 20.739 23.184 7.089 1.00 41.09 C ATOM 262 CG LEU A 63 19.944 21.903 7.184 1.00 42.72 C ATOM 263 CD1 LEU A 63 19.664 21.381 5.825 1.00 44.42 C ATOM 264 CD2 LEU A 63 20.751 20.884 7.926 1.00 47.37 C ATOM 0 H LEU A 63 19.585 25.169 8.088 1.00 28.78 H new ATOM 0 HA LEU A 63 21.216 23.336 9.180 1.00 33.02 H new ATOM 0 HB2 LEU A 63 20.241 23.803 6.532 1.00 41.09 H new ATOM 0 HB3 LEU A 63 21.567 22.987 6.623 1.00 41.09 H new ATOM 0 HG LEU A 63 19.109 22.079 7.645 1.00 42.72 H new ATOM 0 HD11 LEU A 63 19.154 20.559 5.893 1.00 44.42 H new ATOM 0 HD12 LEU A 63 19.154 22.037 5.325 1.00 44.42 H new ATOM 0 HD13 LEU A 63 20.501 21.205 5.367 1.00 44.42 H new ATOM 0 HD21 LEU A 63 20.248 20.058 7.992 1.00 47.37 H new ATOM 0 HD22 LEU A 63 21.581 20.720 7.451 1.00 47.37 H new ATOM 0 HD23 LEU A 63 20.948 21.213 8.817 1.00 47.37 H new ATOM 265 N SER A 64 23.499 24.320 8.647 1.00 32.17 N ATOM 266 CA SER A 64 24.767 24.954 8.247 1.00 28.67 C ATOM 267 C SER A 64 25.762 23.877 7.799 1.00 29.86 C ATOM 268 O SER A 64 25.861 22.804 8.395 1.00 27.93 O ATOM 269 CB SER A 64 25.382 25.679 9.391 1.00 30.85 C ATOM 270 OG SER A 64 24.384 26.484 9.977 1.00 36.35 O ATOM 0 H SER A 64 23.570 23.743 9.281 1.00 32.17 H new ATOM 0 HA SER A 64 24.573 25.575 7.527 1.00 28.67 H new ATOM 0 HB2 SER A 64 25.737 25.051 10.040 1.00 30.85 H new ATOM 0 HB3 SER A 64 26.125 26.225 9.088 1.00 30.85 H new ATOM 0 HG SER A 64 23.960 26.035 10.546 1.00 36.35 H new ATOM 271 N THR A 65 26.510 24.203 6.759 1.00 27.19 N ATOM 272 CA THR A 65 27.448 23.318 6.105 1.00 27.81 C ATOM 273 C THR A 65 28.834 23.877 6.387 1.00 29.17 C ATOM 274 O THR A 65 29.104 25.019 6.008 1.00 27.06 O ATOM 275 CB THR A 65 27.110 23.346 4.636 1.00 28.46 C ATOM 276 OG1 THR A 65 25.782 22.875 4.507 1.00 30.01 O ATOM 277 CG2 THR A 65 27.988 22.460 3.810 1.00 30.11 C ATOM 0 H THR A 65 26.482 24.984 6.400 1.00 27.19 H new ATOM 0 HA THR A 65 27.413 22.399 6.415 1.00 27.81 H new ATOM 0 HB THR A 65 27.233 24.254 4.317 1.00 28.46 H new ATOM 0 HG1 THR A 65 25.535 22.949 3.708 1.00 30.01 H new ATOM 0 HG21 THR A 65 27.724 22.520 2.879 1.00 30.11 H new ATOM 0 HG22 THR A 65 28.911 22.742 3.903 1.00 30.11 H new ATOM 0 HG23 THR A 65 27.899 21.543 4.113 1.00 30.11 H new ATOM 278 N TYR A 66 29.657 23.106 7.097 1.00 25.33 N ATOM 279 CA TYR A 66 31.061 23.412 7.341 1.00 26.05 C ATOM 280 C TYR A 66 31.998 22.390 6.709 1.00 26.21 C ATOM 281 O TYR A 66 31.572 21.340 6.223 1.00 30.23 O ATOM 282 CB TYR A 66 31.315 23.415 8.864 1.00 29.35 C ATOM 283 CG TYR A 66 30.421 24.381 9.626 1.00 27.22 C ATOM 284 CD1 TYR A 66 30.739 25.725 9.670 1.00 30.24 C ATOM 285 CD2 TYR A 66 29.266 23.966 10.259 1.00 27.73 C ATOM 286 CE1 TYR A 66 29.964 26.646 10.349 1.00 29.86 C ATOM 287 CE2 TYR A 66 28.447 24.894 10.918 1.00 29.79 C ATOM 288 CZ TYR A 66 28.814 26.230 10.946 1.00 30.11 C ATOM 289 OH TYR A 66 28.094 27.177 11.595 1.00 37.90 O ATOM 0 H TYR A 66 29.403 22.369 7.460 1.00 25.33 H new ATOM 0 HA TYR A 66 31.242 24.278 6.943 1.00 26.05 H new ATOM 0 HB2 TYR A 66 31.179 22.519 9.209 1.00 29.35 H new ATOM 0 HB3 TYR A 66 32.243 23.645 9.030 1.00 29.35 H new ATOM 0 HD1 TYR A 66 31.502 26.020 9.227 1.00 30.24 H new ATOM 0 HD2 TYR A 66 29.030 23.066 10.248 1.00 27.73 H new ATOM 0 HE1 TYR A 66 30.225 27.537 10.397 1.00 29.86 H new ATOM 0 HE2 TYR A 66 27.663 24.615 11.333 1.00 29.79 H new ATOM 0 HH TYR A 66 27.406 26.827 11.928 1.00 37.90 H new ATOM 290 N GLY A 67 33.285 22.671 6.743 1.00 24.23 N ATOM 291 CA GLY A 67 34.306 21.709 6.298 1.00 23.21 C ATOM 292 C GLY A 67 35.122 22.279 5.136 1.00 22.57 C ATOM 293 O GLY A 67 35.084 23.464 4.873 1.00 23.16 O ATOM 0 H GLY A 67 33.603 23.420 7.022 1.00 24.23 H new ATOM 0 HA2 GLY A 67 34.896 21.492 7.037 1.00 23.21 H new ATOM 0 HA3 GLY A 67 33.879 20.882 6.024 1.00 23.21 H new ATOM 294 N ASN A 68 35.842 21.425 4.453 1.00 22.25 N ATOM 295 CA ASN A 68 36.687 21.828 3.356 1.00 23.82 C ATOM 296 C ASN A 68 36.174 21.403 2.016 1.00 24.71 C ATOM 297 O ASN A 68 36.903 21.580 1.056 1.00 27.29 O ATOM 298 CB ASN A 68 38.134 21.355 3.534 1.00 22.02 C ATOM 299 CG ASN A 68 38.305 19.874 3.352 1.00 22.65 C ATOM 300 OD1 ASN A 68 37.387 19.177 3.008 1.00 24.26 O ATOM 301 ND2 ASN A 68 39.516 19.403 3.531 1.00 20.64 N ATOM 0 H ASN A 68 35.856 20.580 4.614 1.00 22.25 H new ATOM 0 HA ASN A 68 36.670 22.798 3.377 1.00 23.82 H new ATOM 0 HB2 ASN A 68 38.700 21.820 2.897 1.00 22.02 H new ATOM 0 HB3 ASN A 68 38.441 21.603 4.420 1.00 22.02 H new ATOM 0 HD21 ASN A 68 39.676 18.568 3.402 1.00 20.64 H new ATOM 0 HD22 ASN A 68 40.150 19.929 3.777 1.00 20.64 H new ATOM 302 N ALA A 69 34.965 20.831 1.935 1.00 21.87 N ATOM 303 CA ALA A 69 34.405 20.482 0.653 1.00 23.10 C ATOM 304 C ALA A 69 32.918 20.633 0.604 1.00 23.41 C ATOM 305 O ALA A 69 32.173 19.666 0.403 1.00 25.48 O ATOM 306 CB ALA A 69 34.810 19.092 0.221 1.00 24.32 C ATOM 0 H ALA A 69 34.468 20.644 2.611 1.00 21.87 H new ATOM 0 HA ALA A 69 34.778 21.119 0.023 1.00 23.10 H new ATOM 0 HB1 ALA A 69 34.416 18.894 -0.643 1.00 24.32 H new ATOM 0 HB2 ALA A 69 35.776 19.043 0.154 1.00 24.32 H new ATOM 0 HB3 ALA A 69 34.498 18.446 0.874 1.00 24.32 H new ATOM 307 N LEU A 70 32.504 21.875 0.678 1.00 23.38 N ATOM 308 CA LEU A 70 31.133 22.192 0.932 1.00 25.73 C ATOM 309 C LEU A 70 30.163 21.600 -0.086 1.00 23.07 C ATOM 310 O LEU A 70 28.988 21.407 0.229 1.00 23.15 O ATOM 311 CB LEU A 70 30.929 23.737 1.060 1.00 25.19 C ATOM 312 CG LEU A 70 31.702 24.506 2.179 1.00 28.38 C ATOM 313 CD1 LEU A 70 31.105 25.905 2.538 1.00 22.43 C ATOM 314 CD2 LEU A 70 31.838 23.649 3.461 1.00 27.85 C ATOM 0 H LEU A 70 33.016 22.559 0.581 1.00 23.38 H new ATOM 0 HA LEU A 70 30.919 21.772 1.780 1.00 25.73 H new ATOM 0 HB2 LEU A 70 31.169 24.137 0.209 1.00 25.19 H new ATOM 0 HB3 LEU A 70 29.982 23.899 1.193 1.00 25.19 H new ATOM 0 HG LEU A 70 32.579 24.673 1.799 1.00 28.38 H new ATOM 0 HD11 LEU A 70 31.639 26.315 3.236 1.00 22.43 H new ATOM 0 HD12 LEU A 70 31.112 26.472 1.751 1.00 22.43 H new ATOM 0 HD13 LEU A 70 30.193 25.797 2.850 1.00 22.43 H new ATOM 0 HD21 LEU A 70 32.321 24.151 4.136 1.00 27.85 H new ATOM 0 HD22 LEU A 70 30.956 23.424 3.795 1.00 27.85 H new ATOM 0 HD23 LEU A 70 32.323 22.834 3.256 1.00 27.85 H new ATOM 315 N ALA A 71 30.622 21.300 -1.292 1.00 23.64 N ATOM 316 CA ALA A 71 29.695 20.794 -2.336 1.00 22.11 C ATOM 317 C ALA A 71 29.303 19.333 -2.150 1.00 22.64 C ATOM 318 O ALA A 71 28.429 18.825 -2.842 1.00 21.36 O ATOM 319 CB ALA A 71 30.211 21.033 -3.719 1.00 21.51 C ATOM 0 H ALA A 71 31.443 21.374 -1.537 1.00 23.64 H new ATOM 0 HA ALA A 71 28.885 21.315 -2.222 1.00 22.11 H new ATOM 0 HB1 ALA A 71 29.576 20.688 -4.366 1.00 21.51 H new ATOM 0 HB2 ALA A 71 30.330 21.985 -3.860 1.00 21.51 H new ATOM 0 HB3 ALA A 71 31.062 20.581 -3.830 1.00 21.51 H new ATOM 320 N ARG A 72 29.892 18.675 -1.165 1.00 21.21 N ATOM 321 CA ARG A 72 29.468 17.344 -0.832 1.00 22.91 C ATOM 322 C ARG A 72 28.080 17.304 -0.273 1.00 25.32 C ATOM 323 O ARG A 72 27.459 16.231 -0.284 1.00 26.92 O ATOM 324 CB ARG A 72 30.422 16.689 0.177 1.00 23.12 C ATOM 325 CG ARG A 72 31.812 16.487 -0.418 1.00 21.31 C ATOM 326 CD ARG A 72 32.793 15.913 0.584 1.00 22.45 C ATOM 327 NE ARG A 72 32.550 14.494 0.888 1.00 20.83 N ATOM 328 CZ ARG A 72 33.065 13.480 0.194 1.00 23.90 C ATOM 329 NH1 ARG A 72 33.873 13.707 -0.879 1.00 19.15 N ATOM 330 NH2 ARG A 72 32.802 12.219 0.607 1.00 24.92 N ATOM 0 H ARG A 72 30.534 18.985 -0.684 1.00 21.21 H new ATOM 0 HA ARG A 72 29.479 16.849 -1.666 1.00 22.91 H new ATOM 0 HB2 ARG A 72 30.486 17.243 0.971 1.00 23.12 H new ATOM 0 HB3 ARG A 72 30.061 15.833 0.457 1.00 23.12 H new ATOM 0 HG2 ARG A 72 31.750 15.893 -1.183 1.00 21.31 H new ATOM 0 HG3 ARG A 72 32.147 17.336 -0.745 1.00 21.31 H new ATOM 0 HD2 ARG A 72 33.694 16.014 0.239 1.00 22.45 H new ATOM 0 HD3 ARG A 72 32.744 16.426 1.406 1.00 22.45 H new ATOM 0 HE ARG A 72 32.043 14.307 1.557 1.00 20.83 H new ATOM 0 HH11 ARG A 72 34.057 14.513 -1.116 1.00 19.15 H new ATOM 0 HH12 ARG A 72 34.200 13.044 -1.319 1.00 19.15 H new ATOM 0 HH21 ARG A 72 32.313 12.087 1.302 1.00 24.92 H new ATOM 0 HH22 ARG A 72 33.124 11.549 0.174 1.00 24.92 H new ATOM 331 N ALA A 73 27.540 18.454 0.118 1.00 26.87 N ATOM 332 CA ALA A 73 26.363 18.463 1.014 1.00 27.79 C ATOM 333 C ALA A 73 25.168 17.843 0.332 1.00 28.85 C ATOM 334 O ALA A 73 24.342 17.245 0.992 1.00 30.47 O ATOM 335 CB ALA A 73 26.003 19.866 1.472 1.00 27.62 C ATOM 0 H ALA A 73 27.826 19.231 -0.114 1.00 26.87 H new ATOM 0 HA ALA A 73 26.604 17.940 1.795 1.00 27.79 H new ATOM 0 HB1 ALA A 73 25.229 19.828 2.055 1.00 27.62 H new ATOM 0 HB2 ALA A 73 26.752 20.251 1.954 1.00 27.62 H new ATOM 0 HB3 ALA A 73 25.798 20.416 0.700 1.00 27.62 H new ATOM 336 N ASN A 74 25.056 17.974 -0.979 1.00 27.72 N ATOM 337 CA ASN A 74 23.837 17.495 -1.672 1.00 28.36 C ATOM 338 C ASN A 74 24.260 16.466 -2.699 1.00 26.13 C ATOM 339 O ASN A 74 23.518 16.184 -3.600 1.00 25.55 O ATOM 340 CB ASN A 74 23.034 18.626 -2.387 1.00 30.02 C ATOM 341 CG ASN A 74 22.316 19.585 -1.424 1.00 30.93 C ATOM 342 OD1 ASN A 74 21.193 19.300 -0.776 1.00 28.17 O ATOM 343 ND2 ASN A 74 22.920 20.759 -1.328 1.00 30.51 N ATOM 0 H ASN A 74 25.652 18.327 -1.489 1.00 27.72 H new ATOM 0 HA ASN A 74 23.246 17.124 -0.999 1.00 28.36 H new ATOM 0 HB2 ASN A 74 23.640 19.137 -2.946 1.00 30.02 H new ATOM 0 HB3 ASN A 74 22.378 18.222 -2.976 1.00 30.02 H new ATOM 0 HD21 ASN A 74 22.586 21.375 -0.830 1.00 30.51 H new ATOM 0 HD22 ASN A 74 23.647 20.906 -1.764 1.00 30.51 H new ATOM 344 N LYS A 75 25.420 15.865 -2.542 1.00 23.04 N ATOM 345 CA LYS A 75 25.717 14.674 -3.358 1.00 26.15 C ATOM 346 C LYS A 75 25.371 13.376 -2.625 1.00 26.17 C ATOM 347 O LYS A 75 25.425 13.291 -1.375 1.00 30.62 O ATOM 348 CB LYS A 75 27.215 14.627 -3.747 1.00 26.97 C ATOM 349 CG LYS A 75 27.692 15.892 -4.457 1.00 27.14 C ATOM 350 CD LYS A 75 28.965 15.610 -5.209 1.00 29.76 C ATOM 351 CE LYS A 75 29.456 16.821 -5.948 1.00 28.83 C ATOM 352 NZ LYS A 75 28.494 17.358 -6.881 1.00 29.31 N ATOM 0 H LYS A 75 26.037 16.107 -1.994 1.00 23.04 H new ATOM 0 HA LYS A 75 25.167 14.746 -4.154 1.00 26.15 H new ATOM 0 HB2 LYS A 75 27.747 14.492 -2.947 1.00 26.97 H new ATOM 0 HB3 LYS A 75 27.370 13.862 -4.323 1.00 26.97 H new ATOM 0 HG2 LYS A 75 27.008 16.206 -5.069 1.00 27.14 H new ATOM 0 HG3 LYS A 75 27.839 16.599 -3.810 1.00 27.14 H new ATOM 0 HD2 LYS A 75 29.648 15.311 -4.588 1.00 29.76 H new ATOM 0 HD3 LYS A 75 28.816 14.886 -5.837 1.00 29.76 H new ATOM 0 HE2 LYS A 75 29.692 17.509 -5.306 1.00 28.83 H new ATOM 0 HE3 LYS A 75 30.267 16.591 -6.428 1.00 28.83 H new ATOM 0 HZ1 LYS A 75 28.898 17.933 -7.427 1.00 29.31 H new ATOM 0 HZ2 LYS A 75 28.141 16.695 -7.358 1.00 29.31 H new ATOM 0 HZ3 LYS A 75 27.849 17.777 -6.434 1.00 29.31 H new ATOM 353 N GLU A 76 25.114 12.365 -3.428 1.00 22.55 N ATOM 354 CA GLU A 76 24.568 11.108 -2.995 1.00 23.40 C ATOM 355 C GLU A 76 25.676 10.079 -2.761 1.00 21.57 C ATOM 356 O GLU A 76 26.570 9.946 -3.565 1.00 22.32 O ATOM 357 CB GLU A 76 23.600 10.595 -4.070 1.00 24.56 C ATOM 358 CG GLU A 76 22.179 11.104 -3.890 1.00 25.91 C ATOM 359 CD GLU A 76 21.176 10.346 -4.704 1.00 30.90 C ATOM 360 OE1 GLU A 76 19.998 10.475 -4.351 1.00 40.89 O ATOM 361 OE2 GLU A 76 21.546 9.592 -5.654 1.00 30.86 O ATOM 0 H GLU A 76 25.260 12.397 -4.275 1.00 22.55 H new ATOM 0 HA GLU A 76 24.100 11.239 -2.156 1.00 23.40 H new ATOM 0 HB2 GLU A 76 23.925 10.863 -4.944 1.00 24.56 H new ATOM 0 HB3 GLU A 76 23.594 9.625 -4.055 1.00 24.56 H new ATOM 0 HG2 GLU A 76 21.937 11.046 -2.953 1.00 25.91 H new ATOM 0 HG3 GLU A 76 22.144 12.042 -4.135 1.00 25.91 H new ATOM 362 N TYR A 77 25.619 9.392 -1.631 1.00 21.39 N ATOM 363 CA TYR A 77 26.585 8.321 -1.259 1.00 22.86 C ATOM 364 C TYR A 77 25.819 7.150 -0.663 1.00 23.89 C ATOM 365 O TYR A 77 24.704 7.312 -0.160 1.00 23.18 O ATOM 366 CB TYR A 77 27.594 8.804 -0.211 1.00 23.22 C ATOM 367 CG TYR A 77 28.304 10.078 -0.580 1.00 22.36 C ATOM 368 CD1 TYR A 77 29.397 10.054 -1.410 1.00 22.82 C ATOM 369 CD2 TYR A 77 27.853 11.298 -0.113 1.00 22.58 C ATOM 370 CE1 TYR A 77 30.031 11.225 -1.783 1.00 24.30 C ATOM 371 CE2 TYR A 77 28.495 12.465 -0.409 1.00 23.82 C ATOM 372 CZ TYR A 77 29.577 12.441 -1.290 1.00 25.68 C ATOM 373 OH TYR A 77 30.217 13.594 -1.651 1.00 21.86 O ATOM 0 H TYR A 77 25.012 9.525 -1.036 1.00 21.39 H new ATOM 0 HA TYR A 77 27.065 8.064 -2.062 1.00 22.86 H new ATOM 0 HB2 TYR A 77 27.132 8.935 0.632 1.00 23.22 H new ATOM 0 HB3 TYR A 77 28.254 8.108 -0.067 1.00 23.22 H new ATOM 0 HD1 TYR A 77 29.715 9.239 -1.726 1.00 22.82 H new ATOM 0 HD2 TYR A 77 27.090 11.324 0.418 1.00 22.58 H new ATOM 0 HE1 TYR A 77 30.759 11.198 -2.362 1.00 24.30 H new ATOM 0 HE2 TYR A 77 28.215 13.266 -0.029 1.00 23.82 H new ATOM 0 HH TYR A 77 30.793 13.423 -2.238 1.00 21.86 H new ATOM 374 N VAL A 78 26.378 5.956 -0.744 1.00 26.20 N ATOM 375 CA VAL A 78 25.748 4.820 -0.058 1.00 24.20 C ATOM 376 C VAL A 78 25.758 5.165 1.449 1.00 22.95 C ATOM 377 O VAL A 78 26.700 5.760 1.904 1.00 24.23 O ATOM 378 CB VAL A 78 26.515 3.531 -0.361 1.00 27.02 C ATOM 379 CG1 VAL A 78 26.581 3.297 -1.887 1.00 27.19 C ATOM 380 CG2 VAL A 78 27.919 3.595 0.273 1.00 28.89 C ATOM 0 H VAL A 78 27.100 5.775 -1.175 1.00 26.20 H new ATOM 0 HA VAL A 78 24.838 4.670 -0.359 1.00 24.20 H new ATOM 0 HB VAL A 78 26.049 2.775 0.029 1.00 27.02 H new ATOM 0 HG11 VAL A 78 27.069 2.478 -2.068 1.00 27.19 H new ATOM 0 HG12 VAL A 78 25.682 3.222 -2.242 1.00 27.19 H new ATOM 0 HG13 VAL A 78 27.034 4.043 -2.310 1.00 27.19 H new ATOM 0 HG21 VAL A 78 28.400 2.776 0.078 1.00 28.89 H new ATOM 0 HG22 VAL A 78 28.405 4.350 -0.093 1.00 28.89 H new ATOM 0 HG23 VAL A 78 27.836 3.699 1.234 1.00 28.89 H new ATOM 381 N PRO A 79 24.711 4.810 2.225 1.00 20.28 N ATOM 382 CA PRO A 79 24.714 5.139 3.662 1.00 20.87 C ATOM 383 C PRO A 79 25.698 4.336 4.518 1.00 21.83 C ATOM 384 O PRO A 79 26.068 4.783 5.653 1.00 21.79 O ATOM 385 CB PRO A 79 23.290 4.865 4.081 1.00 21.61 C ATOM 386 CG PRO A 79 22.792 3.807 3.107 1.00 21.79 C ATOM 387 CD PRO A 79 23.484 4.116 1.826 1.00 21.46 C ATOM 0 HA PRO A 79 25.012 6.052 3.798 1.00 20.87 H new ATOM 0 HB2 PRO A 79 23.248 4.548 4.997 1.00 21.61 H new ATOM 0 HB3 PRO A 79 22.749 5.669 4.034 1.00 21.61 H new ATOM 0 HG2 PRO A 79 23.007 2.913 3.417 1.00 21.79 H new ATOM 0 HG3 PRO A 79 21.828 3.847 3.005 1.00 21.79 H new ATOM 0 HD2 PRO A 79 23.682 3.307 1.328 1.00 21.46 H new ATOM 0 HD3 PRO A 79 22.934 4.673 1.254 1.00 21.46 H new ATOM 388 N ALA A 80 26.115 3.178 3.985 1.00 21.16 N ATOM 389 CA ALA A 80 26.974 2.234 4.666 1.00 21.46 C ATOM 390 C ALA A 80 26.304 1.874 6.006 1.00 22.19 C ATOM 391 O ALA A 80 25.085 1.852 6.063 1.00 24.21 O ATOM 392 CB ALA A 80 28.362 2.829 4.832 1.00 23.59 C ATOM 0 H ALA A 80 25.892 2.924 3.194 1.00 21.16 H new ATOM 0 HA ALA A 80 27.090 1.418 4.154 1.00 21.46 H new ATOM 0 HB1 ALA A 80 28.934 2.193 5.289 1.00 23.59 H new ATOM 0 HB2 ALA A 80 28.735 3.030 3.959 1.00 23.59 H new ATOM 0 HB3 ALA A 80 28.304 3.645 5.354 1.00 23.59 H new ATOM 393 N SER A 81 27.047 1.717 7.083 1.00 21.76 N ATOM 394 CA SER A 81 26.457 1.270 8.366 1.00 24.41 C ATOM 395 C SER A 81 25.611 2.279 9.034 1.00 24.49 C ATOM 396 O SER A 81 25.057 1.932 10.113 1.00 19.71 O ATOM 397 CB SER A 81 27.522 0.916 9.405 1.00 24.84 C ATOM 398 OG SER A 81 28.318 -0.104 8.874 1.00 26.78 O ATOM 0 H SER A 81 27.895 1.859 7.109 1.00 21.76 H new ATOM 0 HA SER A 81 25.927 0.504 8.096 1.00 24.41 H new ATOM 0 HB2 SER A 81 28.062 1.693 9.616 1.00 24.84 H new ATOM 0 HB3 SER A 81 27.106 0.627 10.232 1.00 24.84 H new ATOM 399 N THR A 82 25.511 3.510 8.476 1.00 20.26 N ATOM 400 CA THR A 82 24.592 4.450 9.113 1.00 19.61 C ATOM 401 C THR A 82 23.186 3.881 8.970 1.00 19.41 C ATOM 402 O THR A 82 22.309 4.223 9.756 1.00 20.04 O ATOM 403 CB THR A 82 24.607 5.872 8.503 1.00 18.19 C ATOM 404 OG1 THR A 82 24.292 5.789 7.105 1.00 19.74 O ATOM 405 CG2 THR A 82 25.996 6.517 8.742 1.00 15.91 C ATOM 0 H THR A 82 25.935 3.793 7.784 1.00 20.26 H new ATOM 0 HA THR A 82 24.876 4.548 10.035 1.00 19.61 H new ATOM 0 HB THR A 82 23.940 6.433 8.929 1.00 18.19 H new ATOM 0 HG1 THR A 82 24.777 5.207 6.742 1.00 19.74 H new ATOM 0 HG21 THR A 82 26.009 7.409 8.361 1.00 15.91 H new ATOM 0 HG22 THR A 82 26.168 6.571 9.695 1.00 15.91 H new ATOM 0 HG23 THR A 82 26.681 5.976 8.320 1.00 15.91 H new ATOM 406 N PHE A 83 22.970 3.041 7.954 1.00 19.21 N ATOM 407 CA PHE A 83 21.661 2.405 7.761 1.00 20.69 C ATOM 408 C PHE A 83 21.280 1.546 8.941 1.00 21.36 C ATOM 409 O PHE A 83 20.092 1.276 9.147 1.00 19.70 O ATOM 410 CB PHE A 83 21.625 1.486 6.528 1.00 20.19 C ATOM 411 CG PHE A 83 20.243 1.058 6.147 1.00 21.10 C ATOM 412 CD1 PHE A 83 19.381 1.930 5.571 1.00 21.25 C ATOM 413 CD2 PHE A 83 19.810 -0.209 6.368 1.00 22.87 C ATOM 414 CE1 PHE A 83 18.099 1.552 5.211 1.00 21.69 C ATOM 415 CE2 PHE A 83 18.532 -0.600 6.004 1.00 23.03 C ATOM 416 CZ PHE A 83 17.664 0.290 5.422 1.00 21.17 C ATOM 0 H PHE A 83 23.563 2.827 7.369 1.00 19.21 H new ATOM 0 HA PHE A 83 21.042 3.143 7.648 1.00 20.69 H new ATOM 0 HB2 PHE A 83 22.032 1.946 5.778 1.00 20.19 H new ATOM 0 HB3 PHE A 83 22.163 0.699 6.704 1.00 20.19 H new ATOM 0 HD1 PHE A 83 19.657 2.804 5.414 1.00 21.25 H new ATOM 0 HD2 PHE A 83 20.380 -0.824 6.770 1.00 22.87 H new ATOM 0 HE1 PHE A 83 17.530 2.174 4.819 1.00 21.69 H new ATOM 0 HE2 PHE A 83 18.259 -1.476 6.156 1.00 23.03 H new ATOM 0 HZ PHE A 83 16.804 0.033 5.180 1.00 21.17 H new ATOM 417 N ASP A 84 22.271 1.080 9.699 1.00 21.93 N ATOM 418 CA ASP A 84 21.946 0.232 10.839 1.00 21.40 C ATOM 419 C ASP A 84 20.839 0.874 11.685 1.00 19.90 C ATOM 420 O ASP A 84 20.019 0.195 12.302 1.00 18.23 O ATOM 421 CB ASP A 84 23.170 -0.066 11.727 1.00 20.89 C ATOM 422 CG ASP A 84 24.220 -0.917 11.038 1.00 22.78 C ATOM 423 OD1 ASP A 84 23.983 -1.467 9.919 1.00 21.09 O ATOM 424 OD2 ASP A 84 25.320 -1.034 11.659 1.00 23.17 O ATOM 0 H ASP A 84 23.108 1.236 9.576 1.00 21.93 H new ATOM 0 HA ASP A 84 21.637 -0.613 10.477 1.00 21.40 H new ATOM 0 HB2 ASP A 84 23.573 0.772 12.003 1.00 20.89 H new ATOM 0 HB3 ASP A 84 22.874 -0.518 12.533 1.00 20.89 H new ATOM 425 N MET A 85 20.827 2.174 11.736 1.00 19.27 N ATOM 426 CA MET A 85 19.817 2.865 12.512 1.00 21.91 C ATOM 427 C MET A 85 18.392 2.593 12.030 1.00 22.58 C ATOM 428 O MET A 85 17.495 2.315 12.816 1.00 23.46 O ATOM 429 CB MET A 85 20.069 4.395 12.432 1.00 25.40 C ATOM 430 CG MET A 85 21.261 4.891 13.210 1.00 26.70 C ATOM 431 SD MET A 85 21.470 6.662 13.410 1.00 29.46 S ATOM 432 CE MET A 85 21.760 7.115 11.709 1.00 28.78 C ATOM 0 H MET A 85 21.389 2.685 11.333 1.00 19.27 H new ATOM 0 HA MET A 85 19.890 2.532 13.420 1.00 21.91 H new ATOM 0 HB2 MET A 85 20.184 4.641 11.501 1.00 25.40 H new ATOM 0 HB3 MET A 85 19.278 4.856 12.752 1.00 25.40 H new ATOM 0 HG2 MET A 85 21.222 4.496 14.095 1.00 26.70 H new ATOM 0 HG3 MET A 85 22.059 4.546 12.780 1.00 26.70 H new ATOM 0 HE1 MET A 85 21.959 8.063 11.656 1.00 28.78 H new ATOM 0 HE2 MET A 85 22.511 6.608 11.362 1.00 28.78 H new ATOM 0 HE3 MET A 85 20.969 6.921 11.183 1.00 28.78 H new ATOM 433 N LEU A 86 18.167 2.730 10.738 1.00 23.41 N ATOM 434 CA LEU A 86 16.845 2.491 10.161 1.00 21.75 C ATOM 435 C LEU A 86 16.577 0.962 10.165 1.00 22.44 C ATOM 436 O LEU A 86 15.457 0.546 10.359 1.00 23.37 O ATOM 437 CB LEU A 86 16.785 3.061 8.740 1.00 19.58 C ATOM 438 CG LEU A 86 15.483 2.928 7.973 1.00 21.47 C ATOM 439 CD1 LEU A 86 14.272 3.400 8.780 1.00 21.48 C ATOM 440 CD2 LEU A 86 15.560 3.743 6.708 1.00 21.09 C ATOM 0 H LEU A 86 18.767 2.962 10.168 1.00 23.41 H new ATOM 0 HA LEU A 86 16.160 2.935 10.685 1.00 21.75 H new ATOM 0 HB2 LEU A 86 17.006 4.004 8.789 1.00 19.58 H new ATOM 0 HB3 LEU A 86 17.482 2.633 8.219 1.00 19.58 H new ATOM 0 HG LEU A 86 15.364 1.985 7.778 1.00 21.47 H new ATOM 0 HD11 LEU A 86 13.468 3.295 8.248 1.00 21.48 H new ATOM 0 HD12 LEU A 86 14.196 2.870 9.589 1.00 21.48 H new ATOM 0 HD13 LEU A 86 14.384 4.334 9.015 1.00 21.48 H new ATOM 0 HD21 LEU A 86 14.728 3.658 6.217 1.00 21.09 H new ATOM 0 HD22 LEU A 86 15.710 4.675 6.932 1.00 21.09 H new ATOM 0 HD23 LEU A 86 16.292 3.421 6.160 1.00 21.09 H new ATOM 441 N ASN A 87 17.618 0.139 9.982 1.00 22.38 N ATOM 442 CA ASN A 87 17.478 -1.352 9.932 1.00 20.93 C ATOM 443 C ASN A 87 16.891 -1.796 11.284 1.00 22.20 C ATOM 444 O ASN A 87 15.902 -2.546 11.359 1.00 22.27 O ATOM 445 CB ASN A 87 18.833 -1.989 9.618 1.00 20.72 C ATOM 446 CG ASN A 87 18.775 -3.472 9.276 1.00 23.42 C ATOM 447 OD1 ASN A 87 17.783 -4.165 9.547 1.00 25.47 O ATOM 448 ND2 ASN A 87 19.883 -3.989 8.726 1.00 21.38 N ATOM 0 H ASN A 87 18.426 0.415 9.883 1.00 22.38 H new ATOM 0 HA ASN A 87 16.880 -1.642 9.225 1.00 20.93 H new ATOM 0 HB2 ASN A 87 19.236 -1.514 8.874 1.00 20.72 H new ATOM 0 HB3 ASN A 87 19.418 -1.868 10.382 1.00 20.72 H new ATOM 0 HD21 ASN A 87 19.923 -4.830 8.549 1.00 21.38 H new ATOM 0 HD22 ASN A 87 20.554 -3.480 8.551 1.00 21.38 H new ATOM 449 N ALA A 88 17.442 -1.237 12.343 1.00 22.44 N ATOM 450 CA ALA A 88 16.958 -1.517 13.701 1.00 23.71 C ATOM 451 C ALA A 88 15.504 -1.057 13.933 1.00 23.68 C ATOM 452 O ALA A 88 14.694 -1.788 14.477 1.00 23.22 O ATOM 453 CB ALA A 88 17.879 -0.885 14.724 1.00 21.17 C ATOM 0 H ALA A 88 18.102 -0.687 12.307 1.00 22.44 H new ATOM 0 HA ALA A 88 16.963 -2.481 13.806 1.00 23.71 H new ATOM 0 HB1 ALA A 88 17.551 -1.076 15.617 1.00 21.17 H new ATOM 0 HB2 ALA A 88 18.773 -1.249 14.624 1.00 21.17 H new ATOM 0 HB3 ALA A 88 17.904 0.075 14.587 1.00 21.17 H new ATOM 454 N LEU A 89 15.194 0.151 13.512 1.00 25.12 N ATOM 455 CA LEU A 89 13.865 0.704 13.696 1.00 25.37 C ATOM 456 C LEU A 89 12.848 -0.203 13.053 1.00 24.98 C ATOM 457 O LEU A 89 11.891 -0.552 13.633 1.00 25.96 O ATOM 458 CB LEU A 89 13.802 2.084 13.067 1.00 23.48 C ATOM 459 CG LEU A 89 14.472 3.201 13.874 1.00 22.71 C ATOM 460 CD1 LEU A 89 14.610 4.503 13.067 1.00 23.41 C ATOM 461 CD2 LEU A 89 13.694 3.535 15.122 1.00 22.55 C ATOM 0 H LEU A 89 15.745 0.676 13.111 1.00 25.12 H new ATOM 0 HA LEU A 89 13.670 0.776 14.643 1.00 25.37 H new ATOM 0 HB2 LEU A 89 14.217 2.044 12.191 1.00 23.48 H new ATOM 0 HB3 LEU A 89 12.871 2.318 12.929 1.00 23.48 H new ATOM 0 HG LEU A 89 15.350 2.856 14.102 1.00 22.71 H new ATOM 0 HD11 LEU A 89 15.038 5.180 13.615 1.00 23.41 H new ATOM 0 HD12 LEU A 89 15.149 4.339 12.277 1.00 23.41 H new ATOM 0 HD13 LEU A 89 13.731 4.813 12.799 1.00 23.41 H new ATOM 0 HD21 LEU A 89 14.147 4.244 15.606 1.00 22.55 H new ATOM 0 HD22 LEU A 89 12.802 3.829 14.879 1.00 22.55 H new ATOM 0 HD23 LEU A 89 13.632 2.748 15.685 1.00 22.55 H new ATOM 462 N ILE A 90 13.119 -0.592 11.835 1.00 24.98 N ATOM 463 CA ILE A 90 12.242 -1.430 11.066 1.00 24.62 C ATOM 464 C ILE A 90 12.109 -2.861 11.693 1.00 27.27 C ATOM 465 O ILE A 90 11.020 -3.441 11.766 1.00 27.13 O ATOM 466 CB ILE A 90 12.818 -1.544 9.648 1.00 21.59 C ATOM 467 CG1 ILE A 90 12.668 -0.237 8.893 1.00 21.95 C ATOM 468 CG2 ILE A 90 12.121 -2.581 8.843 1.00 23.55 C ATOM 469 CD1 ILE A 90 13.251 -0.207 7.476 1.00 19.98 C ATOM 0 H ILE A 90 13.838 -0.371 11.419 1.00 24.98 H new ATOM 0 HA ILE A 90 11.357 -1.034 11.055 1.00 24.62 H new ATOM 0 HB ILE A 90 13.752 -1.780 9.762 1.00 21.59 H new ATOM 0 HG12 ILE A 90 11.724 -0.022 8.839 1.00 21.95 H new ATOM 0 HG13 ILE A 90 13.090 0.466 9.412 1.00 21.95 H new ATOM 0 HG21 ILE A 90 12.514 -2.621 7.957 1.00 23.55 H new ATOM 0 HG22 ILE A 90 12.213 -3.444 9.277 1.00 23.55 H new ATOM 0 HG23 ILE A 90 11.180 -2.356 8.769 1.00 23.55 H new ATOM 0 HD11 ILE A 90 13.103 0.668 7.084 1.00 19.98 H new ATOM 0 HD12 ILE A 90 14.203 -0.387 7.514 1.00 19.98 H new ATOM 0 HD13 ILE A 90 12.816 -0.882 6.932 1.00 19.98 H new ATOM 470 N GLY A 91 13.223 -3.457 12.086 1.00 29.35 N ATOM 471 CA GLY A 91 13.188 -4.823 12.619 1.00 27.32 C ATOM 472 C GLY A 91 12.408 -4.835 13.928 1.00 25.44 C ATOM 473 O GLY A 91 11.646 -5.726 14.200 1.00 24.43 O ATOM 0 H GLY A 91 14.004 -3.099 12.056 1.00 29.35 H new ATOM 0 HA2 GLY A 91 12.773 -5.421 11.978 1.00 27.32 H new ATOM 0 HA3 GLY A 91 14.090 -5.147 12.766 1.00 27.32 H new ATOM 474 N LEU A 92 12.578 -3.818 14.738 1.00 26.91 N ATOM 475 CA LEU A 92 11.917 -3.806 16.003 1.00 27.76 C ATOM 476 C LEU A 92 10.441 -3.482 15.814 1.00 30.15 C ATOM 477 O LEU A 92 9.606 -4.141 16.374 1.00 29.62 O ATOM 478 CB LEU A 92 12.539 -2.776 16.873 1.00 30.07 C ATOM 479 CG LEU A 92 13.854 -3.197 17.498 1.00 33.30 C ATOM 480 CD1 LEU A 92 14.458 -1.965 18.169 1.00 32.59 C ATOM 481 CD2 LEU A 92 13.665 -4.366 18.471 1.00 31.42 C ATOM 0 H LEU A 92 13.069 -3.132 14.572 1.00 26.91 H new ATOM 0 HA LEU A 92 12.002 -4.680 16.416 1.00 27.76 H new ATOM 0 HB2 LEU A 92 12.684 -1.972 16.351 1.00 30.07 H new ATOM 0 HB3 LEU A 92 11.916 -2.546 17.580 1.00 30.07 H new ATOM 0 HG LEU A 92 14.464 -3.527 16.820 1.00 33.30 H new ATOM 0 HD11 LEU A 92 15.304 -2.202 18.580 1.00 32.59 H new ATOM 0 HD12 LEU A 92 14.604 -1.274 17.505 1.00 32.59 H new ATOM 0 HD13 LEU A 92 13.850 -1.636 18.849 1.00 32.59 H new ATOM 0 HD21 LEU A 92 14.522 -4.611 18.853 1.00 31.42 H new ATOM 0 HD22 LEU A 92 13.059 -4.102 19.181 1.00 31.42 H new ATOM 0 HD23 LEU A 92 13.294 -5.126 17.996 1.00 31.42 H new ATOM 482 N GLU A 93 10.117 -2.469 15.021 1.00 28.62 N ATOM 483 CA GLU A 93 8.729 -2.155 14.761 1.00 28.61 C ATOM 484 C GLU A 93 7.951 -3.381 14.284 1.00 29.18 C ATOM 485 O GLU A 93 6.794 -3.587 14.691 1.00 27.67 O ATOM 486 CB GLU A 93 8.580 -1.055 13.673 1.00 29.89 C ATOM 487 CG GLU A 93 7.135 -0.559 13.439 1.00 27.80 C ATOM 488 CD GLU A 93 6.703 0.606 14.376 1.00 31.00 C ATOM 489 OE1 GLU A 93 5.626 1.158 14.092 1.00 32.81 O ATOM 490 OE2 GLU A 93 7.371 0.982 15.398 1.00 29.77 O ATOM 0 H GLU A 93 10.685 -1.957 14.628 1.00 28.62 H new ATOM 0 HA GLU A 93 8.370 -1.839 15.605 1.00 28.61 H new ATOM 0 HB2 GLU A 93 9.132 -0.297 13.921 1.00 29.89 H new ATOM 0 HB3 GLU A 93 8.929 -1.398 12.836 1.00 29.89 H new ATOM 0 HG2 GLU A 93 7.048 -0.269 12.517 1.00 27.80 H new ATOM 0 HG3 GLU A 93 6.524 -1.303 13.561 1.00 27.80 H new ATOM 491 N ASN A 94 8.549 -4.131 13.353 1.00 28.07 N ATOM 492 CA ASN A 94 7.915 -5.324 12.762 1.00 26.72 C ATOM 493 C ASN A 94 8.150 -6.664 13.515 1.00 29.25 C ATOM 494 O ASN A 94 7.963 -7.728 12.987 1.00 25.03 O ATOM 495 CB ASN A 94 8.337 -5.375 11.309 1.00 26.91 C ATOM 496 CG ASN A 94 7.769 -4.168 10.525 1.00 29.71 C ATOM 497 OD1 ASN A 94 6.583 -4.128 10.275 1.00 33.24 O ATOM 498 ND2 ASN A 94 8.579 -3.154 10.262 1.00 28.39 N ATOM 0 H ASN A 94 9.334 -3.965 13.044 1.00 28.07 H new ATOM 0 HA ASN A 94 6.953 -5.227 12.846 1.00 26.72 H new ATOM 0 HB2 ASN A 94 9.305 -5.377 11.250 1.00 26.91 H new ATOM 0 HB3 ASN A 94 8.026 -6.201 10.907 1.00 26.91 H new ATOM 0 HD21 ASN A 94 8.268 -2.437 9.902 1.00 28.39 H new ATOM 0 HD22 ASN A 94 9.416 -3.212 10.451 1.00 28.39 H new ATOM 499 N HIS A 95 8.551 -6.580 14.780 1.00 32.14 N ATOM 500 CA HIS A 95 8.751 -7.800 15.635 1.00 36.37 C ATOM 501 C HIS A 95 9.695 -8.854 15.035 1.00 32.15 C ATOM 502 O HIS A 95 9.523 -10.023 15.260 1.00 28.95 O ATOM 503 CB HIS A 95 7.392 -8.418 16.072 1.00 34.33 C ATOM 504 CG HIS A 95 6.469 -7.399 16.672 1.00 37.27 C ATOM 505 ND1 HIS A 95 5.491 -6.758 15.931 1.00 35.84 N ATOM 506 CD2 HIS A 95 6.459 -6.819 17.895 1.00 32.77 C ATOM 507 CE1 HIS A 95 4.883 -5.871 16.693 1.00 31.68 C ATOM 508 NE2 HIS A 95 5.446 -5.893 17.889 1.00 32.75 N ATOM 0 H HIS A 95 8.718 -5.837 15.180 1.00 32.14 H new ATOM 0 HA HIS A 95 9.210 -7.483 16.428 1.00 36.37 H new ATOM 0 HB2 HIS A 95 6.963 -8.827 15.304 1.00 34.33 H new ATOM 0 HB3 HIS A 95 7.553 -9.125 16.717 1.00 34.33 H new ATOM 0 HD2 HIS A 95 7.030 -7.011 18.604 1.00 32.77 H new ATOM 0 HE1 HIS A 95 4.178 -5.323 16.434 1.00 31.68 H new ATOM 0 HE2 HIS A 95 5.214 -5.404 18.558 1.00 32.75 H new ATOM 509 N LYS A 96 10.727 -8.417 14.334 1.00 28.84 N ATOM 510 CA LYS A 96 11.776 -9.317 13.892 1.00 27.25 C ATOM 511 C LYS A 96 12.838 -9.530 14.940 1.00 25.88 C ATOM 512 O LYS A 96 13.751 -10.298 14.710 1.00 28.60 O ATOM 513 CB LYS A 96 12.442 -8.790 12.606 1.00 25.55 C ATOM 514 CG LYS A 96 11.438 -8.509 11.471 1.00 26.66 C ATOM 515 CD LYS A 96 10.569 -9.734 11.238 1.00 25.72 C ATOM 516 CE LYS A 96 9.544 -9.385 10.195 1.00 26.66 C ATOM 517 NZ LYS A 96 8.713 -10.603 10.017 1.00 31.10 N ATOM 0 H LYS A 96 10.839 -7.596 14.102 1.00 28.84 H new ATOM 0 HA LYS A 96 11.346 -10.169 13.720 1.00 27.25 H new ATOM 0 HB2 LYS A 96 12.926 -7.975 12.811 1.00 25.55 H new ATOM 0 HB3 LYS A 96 13.095 -9.438 12.299 1.00 25.55 H new ATOM 0 HG2 LYS A 96 10.883 -7.747 11.700 1.00 26.66 H new ATOM 0 HG3 LYS A 96 11.913 -8.279 10.657 1.00 26.66 H new ATOM 0 HD2 LYS A 96 11.111 -10.483 10.944 1.00 25.72 H new ATOM 0 HD3 LYS A 96 10.135 -10.004 12.063 1.00 25.72 H new ATOM 0 HE2 LYS A 96 9.002 -8.633 10.479 1.00 26.66 H new ATOM 0 HE3 LYS A 96 9.969 -9.130 9.361 1.00 26.66 H new ATOM 0 HZ1 LYS A 96 8.086 -10.448 9.405 1.00 31.10 H new ATOM 0 HZ2 LYS A 96 9.228 -11.278 9.749 1.00 31.10 H new ATOM 0 HZ3 LYS A 96 8.326 -10.814 10.790 1.00 31.10 H new ATOM 518 N ALA A 97 12.778 -8.792 16.034 1.00 26.46 N ATOM 519 CA ALA A 97 13.781 -8.938 17.106 1.00 24.82 C ATOM 520 C ALA A 97 13.291 -8.203 18.296 1.00 24.56 C ATOM 521 O ALA A 97 12.390 -7.389 18.161 1.00 26.41 O ATOM 522 CB ALA A 97 15.098 -8.323 16.708 1.00 25.72 C ATOM 0 H ALA A 97 12.173 -8.200 16.186 1.00 26.46 H new ATOM 0 HA ALA A 97 13.910 -9.883 17.283 1.00 24.82 H new ATOM 0 HB1 ALA A 97 15.738 -8.433 17.429 1.00 25.72 H new ATOM 0 HB2 ALA A 97 15.432 -8.762 15.910 1.00 25.72 H new ATOM 0 HB3 ALA A 97 14.973 -7.378 16.528 1.00 25.72 H new ATOM 523 N THR A 98 13.934 -8.414 19.436 1.00 24.00 N ATOM 524 CA THR A 98 13.691 -7.592 20.586 1.00 25.65 C ATOM 525 C THR A 98 14.996 -6.967 20.988 1.00 25.48 C ATOM 526 O THR A 98 16.037 -7.369 20.492 1.00 27.30 O ATOM 527 CB THR A 98 13.150 -8.442 21.734 1.00 29.84 C ATOM 528 OG1 THR A 98 14.115 -9.442 22.071 1.00 32.56 O ATOM 529 CG2 THR A 98 11.807 -9.140 21.317 1.00 29.03 C ATOM 0 H THR A 98 14.517 -9.035 19.555 1.00 24.00 H new ATOM 0 HA THR A 98 13.035 -6.908 20.378 1.00 25.65 H new ATOM 0 HB THR A 98 12.980 -7.868 22.497 1.00 29.84 H new ATOM 0 HG1 THR A 98 14.022 -9.661 22.876 1.00 32.56 H new ATOM 0 HG21 THR A 98 11.477 -9.675 22.056 1.00 29.03 H new ATOM 0 HG22 THR A 98 11.149 -8.465 21.088 1.00 29.03 H new ATOM 0 HG23 THR A 98 11.964 -9.712 20.549 1.00 29.03 H new ATOM 530 N THR A 99 14.960 -6.024 21.917 1.00 24.67 N ATOM 531 CA THR A 99 16.174 -5.434 22.378 1.00 28.08 C ATOM 532 C THR A 99 17.032 -6.282 23.335 1.00 29.04 C ATOM 533 O THR A 99 18.230 -5.991 23.450 1.00 31.83 O ATOM 534 CB THR A 99 15.936 -4.084 23.040 1.00 31.96 C ATOM 535 OG1 THR A 99 15.331 -4.276 24.310 1.00 33.92 O ATOM 536 CG2 THR A 99 15.076 -3.221 22.184 1.00 31.96 C ATOM 0 H THR A 99 14.243 -5.722 22.283 1.00 24.67 H new ATOM 0 HA THR A 99 16.680 -5.347 21.555 1.00 28.08 H new ATOM 0 HB THR A 99 16.790 -3.638 23.156 1.00 31.96 H new ATOM 0 HG1 THR A 99 15.202 -3.530 24.675 1.00 33.92 H new ATOM 0 HG21 THR A 99 14.936 -2.367 22.622 1.00 31.96 H new ATOM 0 HG22 THR A 99 15.511 -3.078 21.329 1.00 31.96 H new ATOM 0 HG23 THR A 99 14.220 -3.655 22.043 1.00 31.96 H new ATOM 537 N ASN A 100 16.438 -7.284 23.994 1.00 29.82 N ATOM 538 CA AASN A 100 17.235 -8.190 24.858 0.50 31.82 C ATOM 539 CA BASN A 100 17.094 -8.272 24.886 0.50 31.90 C ATOM 540 C ASN A 100 17.667 -9.478 24.140 1.00 29.15 C ATOM 541 O ASN A 100 18.481 -10.227 24.651 1.00 27.67 O ATOM 542 CB AASN A 100 16.511 -8.524 26.181 0.50 34.48 C ATOM 543 CB BASN A 100 16.068 -8.821 25.923 0.50 33.92 C ATOM 544 CG AASN A 100 16.515 -7.351 27.174 0.50 36.48 C ATOM 545 CG BASN A 100 14.726 -9.200 25.295 0.50 36.58 C ATOM 546 OD1AASN A 100 17.424 -6.502 27.167 0.50 37.87 O ATOM 547 OD1BASN A 100 14.570 -10.283 24.723 0.50 42.21 O ATOM 548 ND2AASN A 100 15.484 -7.296 28.024 0.50 34.68 N ATOM 549 ND2BASN A 100 13.751 -8.304 25.395 0.50 38.27 N ATOM 0 H AASN A 100 15.597 -7.459 23.961 0.50 29.82 H new ATOM 0 H BASN A 100 15.591 -7.419 23.933 0.50 29.82 H new ATOM 0 HA AASN A 100 18.042 -7.696 25.073 0.50 31.90 H new ATOM 0 HA BASN A 100 17.823 -7.795 25.312 0.50 31.90 H new ATOM 0 HB2AASN A 100 15.594 -8.776 25.989 0.50 33.92 H new ATOM 0 HB2BASN A 100 16.445 -9.599 26.362 0.50 33.92 H new ATOM 0 HB3AASN A 100 16.936 -9.292 26.593 0.50 33.92 H new ATOM 0 HB3BASN A 100 15.920 -8.152 26.609 0.50 33.92 H new ATOM 0 HD21AASN A 100 15.431 -6.655 28.595 0.50 38.27 H new ATOM 0 HD21BASN A 100 12.979 -8.469 25.055 0.50 38.27 H new ATOM 0 HD22AASN A 100 14.874 -7.901 27.999 0.50 38.27 H new ATOM 0 HD22BASN A 100 13.892 -7.559 25.800 0.50 38.27 H new ATOM 550 N GLU A 101 17.135 -9.718 22.966 1.00 28.89 N ATOM 551 CA GLU A 101 17.425 -10.941 22.255 1.00 30.00 C ATOM 552 C GLU A 101 18.911 -11.061 21.848 1.00 29.46 C ATOM 553 O GLU A 101 19.518 -10.108 21.354 1.00 27.90 O ATOM 554 CB GLU A 101 16.543 -11.036 20.998 1.00 28.58 C ATOM 555 CG GLU A 101 17.088 -11.957 19.957 1.00 28.93 C ATOM 556 CD GLU A 101 16.152 -12.290 18.827 1.00 32.78 C ATOM 557 OE1 GLU A 101 15.110 -11.644 18.647 1.00 39.05 O ATOM 558 OE2 GLU A 101 16.518 -13.193 18.051 1.00 36.66 O ATOM 0 H GLU A 101 16.599 -9.183 22.558 1.00 28.89 H new ATOM 0 HA GLU A 101 17.231 -11.672 22.863 1.00 30.00 H new ATOM 0 HB2 GLU A 101 15.658 -11.337 21.255 1.00 28.58 H new ATOM 0 HB3 GLU A 101 16.441 -10.151 20.615 1.00 28.58 H new ATOM 0 HG2 GLU A 101 17.890 -11.559 19.584 1.00 28.93 H new ATOM 0 HG3 GLU A 101 17.356 -12.784 20.388 1.00 28.93 H new ATOM 559 N ILE A 102 19.459 -12.260 21.997 1.00 28.40 N ATOM 560 CA ILE A 102 20.875 -12.485 21.673 1.00 27.11 C ATOM 561 C ILE A 102 21.053 -13.128 20.319 1.00 26.83 C ATOM 562 O ILE A 102 20.440 -14.149 20.062 1.00 26.86 O ATOM 563 CB ILE A 102 21.529 -13.296 22.783 1.00 26.87 C ATOM 564 CG1 ILE A 102 21.532 -12.398 24.018 1.00 29.32 C ATOM 565 CG2 ILE A 102 22.959 -13.669 22.430 1.00 27.65 C ATOM 566 CD1 ILE A 102 21.701 -13.147 25.313 1.00 32.14 C ATOM 0 H ILE A 102 19.039 -12.954 22.281 1.00 28.40 H new ATOM 0 HA ILE A 102 21.319 -11.624 21.617 1.00 27.11 H new ATOM 0 HB ILE A 102 21.044 -14.123 22.927 1.00 26.87 H new ATOM 0 HG12 ILE A 102 22.248 -11.749 23.934 1.00 29.32 H new ATOM 0 HG13 ILE A 102 20.700 -11.901 24.048 1.00 29.32 H new ATOM 0 HG21 ILE A 102 23.348 -14.184 23.155 1.00 27.65 H new ATOM 0 HG22 ILE A 102 22.964 -14.200 21.618 1.00 27.65 H new ATOM 0 HG23 ILE A 102 23.479 -12.862 22.292 1.00 27.65 H new ATOM 0 HD11 ILE A 102 21.694 -12.520 26.053 1.00 32.14 H new ATOM 0 HD12 ILE A 102 20.973 -13.779 25.419 1.00 32.14 H new ATOM 0 HD13 ILE A 102 22.545 -13.625 25.303 1.00 32.14 H new ATOM 567 N PHE A 103 21.844 -12.484 19.439 1.00 24.15 N ATOM 568 CA PHE A 103 22.117 -13.011 18.091 1.00 22.99 C ATOM 569 C PHE A 103 23.383 -13.870 18.217 1.00 23.49 C ATOM 570 O PHE A 103 24.463 -13.347 18.489 1.00 24.81 O ATOM 571 CB PHE A 103 22.318 -11.858 17.063 1.00 21.41 C ATOM 572 CG PHE A 103 21.045 -11.156 16.684 1.00 22.76 C ATOM 573 CD1 PHE A 103 20.403 -10.274 17.575 1.00 23.05 C ATOM 574 CD2 PHE A 103 20.411 -11.431 15.454 1.00 21.10 C ATOM 575 CE1 PHE A 103 19.171 -9.683 17.255 1.00 21.76 C ATOM 576 CE2 PHE A 103 19.224 -10.785 15.119 1.00 20.63 C ATOM 577 CZ PHE A 103 18.595 -9.928 16.028 1.00 22.14 C ATOM 0 H PHE A 103 22.233 -11.736 19.608 1.00 24.15 H new ATOM 0 HA PHE A 103 21.369 -13.535 17.763 1.00 22.99 H new ATOM 0 HB2 PHE A 103 22.937 -11.210 17.434 1.00 21.41 H new ATOM 0 HB3 PHE A 103 22.730 -12.218 16.262 1.00 21.41 H new ATOM 0 HD1 PHE A 103 20.803 -10.079 18.392 1.00 23.05 H new ATOM 0 HD2 PHE A 103 20.787 -12.045 14.866 1.00 21.10 H new ATOM 0 HE1 PHE A 103 18.745 -9.129 17.869 1.00 21.76 H new ATOM 0 HE2 PHE A 103 18.845 -10.925 14.281 1.00 20.63 H new ATOM 0 HZ PHE A 103 17.788 -9.524 15.804 1.00 22.14 H new ATOM 578 N LYS A 104 23.274 -15.181 18.012 1.00 25.96 N ATOM 579 CA LYS A 104 24.416 -16.086 18.235 1.00 30.67 C ATOM 580 C LYS A 104 25.421 -15.866 17.115 1.00 27.09 C ATOM 581 O LYS A 104 25.058 -15.739 15.991 1.00 30.47 O ATOM 582 CB LYS A 104 23.956 -17.584 18.317 1.00 36.95 C ATOM 583 CG LYS A 104 23.056 -17.987 19.535 1.00 41.97 C ATOM 584 CD LYS A 104 23.812 -17.838 20.903 1.00 44.90 C ATOM 585 CE LYS A 104 23.019 -18.218 22.190 1.00 47.33 C ATOM 586 NZ LYS A 104 21.723 -17.466 22.433 1.00 52.56 N ATOM 0 H LYS A 104 22.555 -15.570 17.745 1.00 25.96 H new ATOM 0 HA LYS A 104 24.832 -15.886 19.088 1.00 30.67 H new ATOM 0 HB2 LYS A 104 23.474 -17.796 17.503 1.00 36.95 H new ATOM 0 HB3 LYS A 104 24.749 -18.142 18.330 1.00 36.95 H new ATOM 0 HG2 LYS A 104 22.260 -17.433 19.545 1.00 41.97 H new ATOM 0 HG3 LYS A 104 22.761 -18.905 19.428 1.00 41.97 H new ATOM 0 HD2 LYS A 104 24.611 -18.386 20.868 1.00 44.90 H new ATOM 0 HD3 LYS A 104 24.103 -16.917 20.989 1.00 44.90 H new ATOM 0 HE2 LYS A 104 22.818 -19.166 22.154 1.00 47.33 H new ATOM 0 HE3 LYS A 104 23.598 -18.080 22.956 1.00 47.33 H new ATOM 0 HZ1 LYS A 104 21.349 -17.754 23.188 1.00 52.56 H new ATOM 0 HZ2 LYS A 104 21.893 -16.595 22.501 1.00 52.56 H new ATOM 0 HZ3 LYS A 104 21.166 -17.607 21.754 1.00 52.56 H new ATOM 587 N TRP A 105 26.693 -15.746 17.427 1.00 26.86 N ATOM 588 CA TRP A 105 27.746 -15.951 16.437 1.00 24.23 C ATOM 589 C TRP A 105 27.638 -17.379 15.896 1.00 24.49 C ATOM 590 O TRP A 105 27.492 -18.332 16.649 1.00 23.60 O ATOM 591 CB TRP A 105 29.070 -15.811 17.137 1.00 26.37 C ATOM 592 CG TRP A 105 30.228 -16.065 16.313 1.00 25.87 C ATOM 593 CD1 TRP A 105 30.398 -15.681 15.050 1.00 26.65 C ATOM 594 CD2 TRP A 105 31.416 -16.741 16.704 1.00 24.98 C ATOM 595 NE1 TRP A 105 31.610 -16.109 14.584 1.00 25.49 N ATOM 596 CE2 TRP A 105 32.272 -16.735 15.599 1.00 26.00 C ATOM 597 CE3 TRP A 105 31.818 -17.389 17.862 1.00 26.68 C ATOM 598 CZ2 TRP A 105 33.529 -17.347 15.612 1.00 25.68 C ATOM 599 CZ3 TRP A 105 33.043 -17.959 17.901 1.00 26.69 C ATOM 600 CH2 TRP A 105 33.898 -17.949 16.762 1.00 27.55 C ATOM 0 H TRP A 105 26.978 -15.545 18.213 1.00 26.86 H new ATOM 0 HA TRP A 105 27.665 -15.310 15.713 1.00 24.23 H new ATOM 0 HB2 TRP A 105 29.137 -14.912 17.496 1.00 26.37 H new ATOM 0 HB3 TRP A 105 29.087 -16.420 17.892 1.00 26.37 H new ATOM 0 HD1 TRP A 105 29.781 -15.192 14.555 1.00 26.65 H new ATOM 0 HE1 TRP A 105 31.906 -16.001 13.784 1.00 25.49 H new ATOM 0 HE3 TRP A 105 31.254 -17.431 18.600 1.00 26.68 H new ATOM 0 HZ2 TRP A 105 34.083 -17.340 14.865 1.00 25.68 H new ATOM 0 HZ3 TRP A 105 33.333 -18.365 18.686 1.00 26.69 H new ATOM 0 HH2 TRP A 105 34.728 -18.366 16.812 1.00 27.55 H new ATOM 601 N ASP A 106 27.711 -17.553 14.603 1.00 25.13 N ATOM 602 CA ASP A 106 27.549 -18.885 14.062 1.00 25.67 C ATOM 603 C ASP A 106 28.902 -19.657 14.088 1.00 28.05 C ATOM 604 O ASP A 106 28.953 -20.783 13.645 1.00 25.92 O ATOM 605 CB ASP A 106 26.991 -18.791 12.629 1.00 26.61 C ATOM 606 CG ASP A 106 27.932 -18.032 11.686 1.00 30.16 C ATOM 607 OD1 ASP A 106 29.072 -17.659 12.099 1.00 30.73 O ATOM 608 OD2 ASP A 106 27.544 -17.752 10.524 1.00 37.65 O ATOM 0 H ASP A 106 27.851 -16.931 14.025 1.00 25.13 H new ATOM 0 HA ASP A 106 26.920 -19.379 14.611 1.00 25.67 H new ATOM 0 HB2 ASP A 106 26.842 -19.685 12.283 1.00 26.61 H new ATOM 0 HB3 ASP A 106 26.129 -18.347 12.648 1.00 26.61 H new ATOM 609 N GLY A 107 29.999 -19.030 14.500 1.00 27.31 N ATOM 610 CA GLY A 107 31.267 -19.727 14.602 1.00 29.07 C ATOM 611 C GLY A 107 32.185 -19.590 13.395 1.00 28.71 C ATOM 612 O GLY A 107 33.325 -20.039 13.412 1.00 26.47 O ATOM 0 H GLY A 107 30.026 -18.200 14.725 1.00 27.31 H new ATOM 0 HA2 GLY A 107 31.737 -19.400 15.385 1.00 29.07 H new ATOM 0 HA3 GLY A 107 31.090 -20.669 14.750 1.00 29.07 H new ATOM 613 N LYS A 108 31.705 -18.952 12.347 1.00 30.99 N ATOM 614 CA LYS A 108 32.569 -18.610 11.205 1.00 32.27 C ATOM 615 C LYS A 108 33.476 -17.427 11.511 1.00 32.11 C ATOM 616 O LYS A 108 33.149 -16.488 12.251 1.00 29.68 O ATOM 617 CB LYS A 108 31.745 -18.317 9.951 1.00 35.27 C ATOM 618 CG LYS A 108 31.124 -19.596 9.336 1.00 43.46 C ATOM 619 CD LYS A 108 30.118 -19.306 8.192 1.00 51.87 C ATOM 620 CE LYS A 108 29.624 -20.533 7.420 1.00 57.55 C ATOM 621 NZ LYS A 108 29.640 -21.849 8.169 1.00 65.55 N ATOM 0 H LYS A 108 30.886 -18.703 12.265 1.00 30.99 H new ATOM 0 HA LYS A 108 33.127 -19.386 11.040 1.00 32.27 H new ATOM 0 HB2 LYS A 108 31.037 -17.692 10.172 1.00 35.27 H new ATOM 0 HB3 LYS A 108 32.309 -17.885 9.291 1.00 35.27 H new ATOM 0 HG2 LYS A 108 31.835 -20.161 8.996 1.00 43.46 H new ATOM 0 HG3 LYS A 108 30.673 -20.096 10.034 1.00 43.46 H new ATOM 0 HD2 LYS A 108 29.349 -18.848 8.567 1.00 51.87 H new ATOM 0 HD3 LYS A 108 30.534 -18.694 7.564 1.00 51.87 H new ATOM 0 HE2 LYS A 108 28.716 -20.362 7.125 1.00 57.55 H new ATOM 0 HE3 LYS A 108 30.168 -20.630 6.623 1.00 57.55 H new ATOM 0 HZ1 LYS A 108 29.323 -22.494 7.644 1.00 65.55 H new ATOM 0 HZ2 LYS A 108 30.475 -22.045 8.408 1.00 65.55 H new ATOM 0 HZ3 LYS A 108 29.131 -21.783 8.896 1.00 65.55 H new ATOM 622 N LYS A 109 34.637 -17.494 10.912 1.00 29.63 N ATOM 623 CA LYS A 109 35.579 -16.494 11.087 1.00 34.67 C ATOM 624 C LYS A 109 35.013 -15.193 10.471 1.00 35.46 C ATOM 625 O LYS A 109 34.450 -15.193 9.376 1.00 29.23 O ATOM 626 CB LYS A 109 36.909 -16.887 10.461 1.00 40.82 C ATOM 627 CG LYS A 109 38.029 -16.031 11.025 1.00 56.00 C ATOM 628 CD LYS A 109 39.421 -16.564 10.750 1.00 62.31 C ATOM 629 CE LYS A 109 40.423 -15.884 11.672 1.00 66.02 C ATOM 630 NZ LYS A 109 41.683 -16.678 11.636 1.00 73.43 N ATOM 0 H LYS A 109 34.881 -18.135 10.393 1.00 29.63 H new ATOM 0 HA LYS A 109 35.752 -16.354 12.031 1.00 34.67 H new ATOM 0 HB2 LYS A 109 37.091 -17.824 10.634 1.00 40.82 H new ATOM 0 HB3 LYS A 109 36.865 -16.780 9.498 1.00 40.82 H new ATOM 0 HG2 LYS A 109 37.957 -15.138 10.654 1.00 56.00 H new ATOM 0 HG3 LYS A 109 37.909 -15.950 11.984 1.00 56.00 H new ATOM 0 HD2 LYS A 109 39.442 -17.524 10.887 1.00 62.31 H new ATOM 0 HD3 LYS A 109 39.661 -16.404 9.824 1.00 62.31 H new ATOM 0 HE2 LYS A 109 40.587 -14.972 11.384 1.00 66.02 H new ATOM 0 HE3 LYS A 109 40.076 -15.837 12.577 1.00 66.02 H new ATOM 0 HZ1 LYS A 109 42.288 -16.300 12.169 1.00 73.43 H new ATOM 0 HZ2 LYS A 109 41.520 -17.507 11.915 1.00 73.43 H new ATOM 0 HZ3 LYS A 109 41.996 -16.702 10.803 1.00 73.43 H new ATOM 631 N ARG A 110 35.166 -14.102 11.208 1.00 30.28 N ATOM 632 CA AARG A 110 34.596 -12.844 10.814 0.50 32.16 C ATOM 633 CA BARG A 110 34.618 -12.828 10.792 0.50 30.65 C ATOM 634 C ARG A 110 35.760 -11.926 10.447 1.00 33.68 C ATOM 635 O ARG A 110 36.905 -12.184 10.845 1.00 33.20 O ATOM 636 CB AARG A 110 33.742 -12.265 11.961 0.50 30.54 C ATOM 637 CB BARG A 110 33.812 -12.151 11.900 0.50 27.43 C ATOM 638 CG AARG A 110 32.581 -13.156 12.395 0.50 30.38 C ATOM 639 CG BARG A 110 32.415 -12.663 12.046 0.50 25.41 C ATOM 640 CD AARG A 110 31.256 -12.634 11.864 0.50 30.67 C ATOM 641 CD BARG A 110 31.657 -12.882 10.750 0.50 23.92 C ATOM 642 NE AARG A 110 30.062 -13.466 12.137 0.50 29.14 N ATOM 643 NE BARG A 110 30.562 -13.795 11.122 0.50 24.02 N ATOM 644 CZ AARG A 110 29.126 -13.207 13.052 0.50 26.96 C ATOM 645 CZ BARG A 110 29.916 -14.614 10.322 0.50 21.52 C ATOM 646 NH1AARG A 110 29.211 -12.146 13.862 0.50 23.74 N ATOM 647 NH1BARG A 110 30.203 -14.687 9.034 0.50 21.47 N ATOM 648 NH2AARG A 110 28.081 -14.034 13.144 0.50 26.10 N ATOM 649 NH2BARG A 110 28.972 -15.360 10.839 0.50 21.76 N ATOM 0 H AARG A 110 35.604 -14.079 11.948 0.50 30.28 H new ATOM 0 H BARG A 110 35.588 -14.082 11.957 0.50 30.28 H new ATOM 0 HA AARG A 110 34.003 -12.942 10.053 0.50 30.65 H new ATOM 0 HA BARG A 110 34.027 -12.988 10.040 0.50 30.65 H new ATOM 0 HB2AARG A 110 34.315 -12.104 12.727 0.50 27.43 H new ATOM 0 HB2BARG A 110 34.278 -12.269 12.743 0.50 27.43 H new ATOM 0 HB3AARG A 110 33.389 -11.405 11.684 0.50 27.43 H new ATOM 0 HB3BARG A 110 33.779 -11.197 11.725 0.50 27.43 H new ATOM 0 HG2AARG A 110 32.727 -14.060 12.074 0.50 25.41 H new ATOM 0 HG2BARG A 110 32.445 -13.503 12.530 0.50 25.41 H new ATOM 0 HG3AARG A 110 32.549 -13.200 13.363 0.50 25.41 H new ATOM 0 HG3BARG A 110 31.914 -12.038 12.593 0.50 25.41 H new ATOM 0 HD2AARG A 110 31.104 -11.753 12.239 0.50 23.92 H new ATOM 0 HD2BARG A 110 31.316 -12.047 10.393 0.50 23.92 H new ATOM 0 HD3AARG A 110 31.336 -12.523 10.904 0.50 23.92 H new ATOM 0 HD3BARG A 110 32.226 -13.271 10.068 0.50 23.92 H new ATOM 0 HE AARG A 110 29.963 -14.178 11.665 0.50 24.02 H new ATOM 0 HE BARG A 110 30.321 -13.792 11.947 0.50 24.02 H new ATOM 0 HH11AARG A 110 29.881 -11.611 13.800 0.50 21.47 H new ATOM 0 HH11BARG A 110 30.824 -14.192 8.703 0.50 21.47 H new ATOM 0 HH12AARG A 110 28.595 -11.999 14.444 0.50 21.47 H new ATOM 0 HH12BARG A 110 29.769 -15.229 8.527 0.50 21.47 H new ATOM 0 HH21AARG A 110 28.023 -14.714 12.621 0.50 21.76 H new ATOM 0 HH21BARG A 110 28.791 -15.305 11.678 0.50 21.76 H new ATOM 0 HH22AARG A 110 27.466 -13.886 13.727 0.50 21.76 H new ATOM 0 HH22BARG A 110 28.533 -15.905 10.339 0.50 21.76 H new ATOM 650 N THR A 111 35.437 -10.853 9.729 1.00 35.18 N ATOM 651 CA THR A 111 36.415 -9.867 9.345 1.00 34.34 C ATOM 652 C THR A 111 37.072 -9.295 10.554 1.00 31.97 C ATOM 653 O THR A 111 38.227 -9.050 10.513 1.00 38.29 O ATOM 654 CB THR A 111 35.752 -8.780 8.472 1.00 37.43 C ATOM 655 OG1 THR A 111 35.057 -9.430 7.402 1.00 34.44 O ATOM 656 CG2 THR A 111 36.797 -7.828 7.860 1.00 36.56 C ATOM 0 H THR A 111 34.640 -10.684 9.455 1.00 35.18 H new ATOM 0 HA THR A 111 37.109 -10.287 8.812 1.00 34.34 H new ATOM 0 HB THR A 111 35.152 -8.260 9.030 1.00 37.43 H new ATOM 0 HG1 THR A 111 34.265 -9.585 7.635 1.00 34.44 H new ATOM 0 HG21 THR A 111 36.348 -7.159 7.319 1.00 36.56 H new ATOM 0 HG22 THR A 111 37.291 -7.390 8.570 1.00 36.56 H new ATOM 0 HG23 THR A 111 37.410 -8.334 7.305 1.00 36.56 H new ATOM 657 N TYR A 112 36.371 -9.130 11.667 1.00 33.98 N ATOM 658 CA TYR A 112 37.018 -8.651 12.896 1.00 33.03 C ATOM 659 C TYR A 112 36.669 -9.535 14.112 1.00 34.32 C ATOM 660 O TYR A 112 35.505 -9.917 14.295 1.00 33.95 O ATOM 661 CB TYR A 112 36.616 -7.196 13.169 1.00 34.41 C ATOM 662 CG TYR A 112 36.811 -6.285 11.982 1.00 38.86 C ATOM 663 CD1 TYR A 112 38.097 -5.909 11.581 1.00 44.51 C ATOM 664 CD2 TYR A 112 35.719 -5.756 11.273 1.00 40.83 C ATOM 665 CE1 TYR A 112 38.300 -5.037 10.519 1.00 43.80 C ATOM 666 CE2 TYR A 112 35.905 -4.890 10.191 1.00 37.24 C ATOM 667 CZ TYR A 112 37.209 -4.535 9.829 1.00 47.13 C ATOM 668 OH TYR A 112 37.474 -3.715 8.744 1.00 48.18 O ATOM 0 H TYR A 112 35.528 -9.286 11.739 1.00 33.98 H new ATOM 0 HA TYR A 112 37.977 -8.702 12.762 1.00 33.03 H new ATOM 0 HB2 TYR A 112 35.684 -7.170 13.438 1.00 34.41 H new ATOM 0 HB3 TYR A 112 37.136 -6.859 13.915 1.00 34.41 H new ATOM 0 HD1 TYR A 112 38.833 -6.251 12.036 1.00 44.51 H new ATOM 0 HD2 TYR A 112 34.855 -5.987 11.529 1.00 40.83 H new ATOM 0 HE1 TYR A 112 39.163 -4.792 10.273 1.00 43.80 H new ATOM 0 HE2 TYR A 112 35.175 -4.556 9.721 1.00 37.24 H new ATOM 0 HH TYR A 112 36.750 -3.467 8.397 1.00 48.18 H new ATOM 669 N PRO A 113 37.663 -9.838 14.957 1.00 34.73 N ATOM 670 CA PRO A 113 37.451 -10.689 16.080 1.00 34.55 C ATOM 671 C PRO A 113 36.380 -10.173 17.005 1.00 30.19 C ATOM 672 O PRO A 113 35.737 -10.947 17.724 1.00 30.33 O ATOM 673 CB PRO A 113 38.815 -10.644 16.811 1.00 36.33 C ATOM 674 CG PRO A 113 39.815 -10.406 15.777 1.00 33.44 C ATOM 675 CD PRO A 113 39.101 -9.462 14.839 1.00 40.71 C ATOM 0 HA PRO A 113 37.160 -11.573 15.808 1.00 34.55 H new ATOM 0 HB2 PRO A 113 38.829 -9.939 17.477 1.00 36.33 H new ATOM 0 HB3 PRO A 113 38.988 -11.477 17.276 1.00 36.33 H new ATOM 0 HG2 PRO A 113 40.623 -10.011 16.141 1.00 33.44 H new ATOM 0 HG3 PRO A 113 40.076 -11.227 15.332 1.00 33.44 H new ATOM 0 HD2 PRO A 113 39.246 -8.537 15.091 1.00 40.71 H new ATOM 0 HD3 PRO A 113 39.419 -9.561 13.928 1.00 40.71 H new ATOM 676 N MET A 114 36.230 -8.860 17.046 1.00 29.95 N ATOM 677 CA MET A 114 35.227 -8.247 17.928 1.00 27.31 C ATOM 678 C MET A 114 33.791 -8.690 17.527 1.00 24.80 C ATOM 679 O MET A 114 32.863 -8.581 18.314 1.00 23.20 O ATOM 680 CB MET A 114 35.397 -6.732 17.884 1.00 31.89 C ATOM 681 CG MET A 114 35.204 -6.097 16.468 1.00 38.80 C ATOM 682 SD MET A 114 34.987 -4.278 16.498 1.00 43.92 S ATOM 683 CE MET A 114 35.197 -3.748 14.797 1.00 42.10 C ATOM 0 H MET A 114 36.690 -8.303 16.579 1.00 29.95 H new ATOM 0 HA MET A 114 35.360 -8.547 18.841 1.00 27.31 H new ATOM 0 HB2 MET A 114 34.761 -6.329 18.496 1.00 31.89 H new ATOM 0 HB3 MET A 114 36.283 -6.508 18.208 1.00 31.89 H new ATOM 0 HG2 MET A 114 35.973 -6.314 15.918 1.00 38.80 H new ATOM 0 HG3 MET A 114 34.430 -6.500 16.045 1.00 38.80 H new ATOM 0 HE1 MET A 114 35.093 -2.785 14.743 1.00 42.10 H new ATOM 0 HE2 MET A 114 36.082 -3.995 14.488 1.00 42.10 H new ATOM 0 HE3 MET A 114 34.529 -4.177 14.239 1.00 42.10 H new ATOM 684 N TRP A 115 33.615 -9.172 16.289 1.00 22.48 N ATOM 685 CA TRP A 115 32.308 -9.619 15.807 1.00 22.23 C ATOM 686 C TRP A 115 32.073 -11.096 16.093 1.00 22.32 C ATOM 687 O TRP A 115 30.959 -11.564 15.902 1.00 23.80 O ATOM 688 CB TRP A 115 32.145 -9.378 14.319 1.00 21.39 C ATOM 689 CG TRP A 115 32.189 -7.918 13.889 1.00 23.31 C ATOM 690 CD1 TRP A 115 32.052 -6.810 14.672 1.00 22.29 C ATOM 691 CD2 TRP A 115 32.219 -7.439 12.532 1.00 23.40 C ATOM 692 NE1 TRP A 115 32.039 -5.674 13.887 1.00 22.38 N ATOM 693 CE2 TRP A 115 32.132 -6.036 12.579 1.00 21.96 C ATOM 694 CE3 TRP A 115 32.308 -8.074 11.278 1.00 22.19 C ATOM 695 CZ2 TRP A 115 32.211 -5.253 11.442 1.00 22.36 C ATOM 696 CZ3 TRP A 115 32.380 -7.285 10.134 1.00 22.35 C ATOM 697 CH2 TRP A 115 32.341 -5.900 10.219 1.00 21.87 C ATOM 0 H TRP A 115 34.248 -9.247 15.712 1.00 22.48 H new ATOM 0 HA TRP A 115 31.651 -9.093 16.290 1.00 22.23 H new ATOM 0 HB2 TRP A 115 32.844 -9.860 13.850 1.00 21.39 H new ATOM 0 HB3 TRP A 115 31.299 -9.758 14.035 1.00 21.39 H new ATOM 0 HD1 TRP A 115 31.978 -6.818 15.599 1.00 22.29 H new ATOM 0 HE1 TRP A 115 31.981 -4.867 14.178 1.00 22.38 H new ATOM 0 HE3 TRP A 115 32.318 -9.002 11.216 1.00 22.19 H new ATOM 0 HZ2 TRP A 115 32.178 -4.325 11.494 1.00 22.36 H new ATOM 0 HZ3 TRP A 115 32.455 -7.691 9.301 1.00 22.35 H new ATOM 0 HH2 TRP A 115 32.403 -5.394 9.441 1.00 21.87 H new ATOM 698 N GLU A 116 33.090 -11.827 16.556 1.00 22.83 N ATOM 699 CA GLU A 116 32.973 -13.311 16.793 1.00 22.52 C ATOM 700 C GLU A 116 32.414 -13.586 18.204 1.00 23.05 C ATOM 701 O GLU A 116 33.059 -14.219 19.045 1.00 28.24 O ATOM 702 CB GLU A 116 34.332 -14.039 16.566 1.00 22.27 C ATOM 703 CG GLU A 116 34.868 -13.791 15.176 1.00 25.32 C ATOM 704 CD GLU A 116 36.274 -14.264 14.882 1.00 25.41 C ATOM 705 OE1 GLU A 116 37.087 -14.340 15.807 1.00 29.10 O ATOM 706 OE2 GLU A 116 36.585 -14.469 13.677 1.00 26.07 O ATOM 0 H GLU A 116 33.863 -11.501 16.745 1.00 22.83 H new ATOM 0 HA GLU A 116 32.349 -13.671 16.143 1.00 22.52 H new ATOM 0 HB2 GLU A 116 34.978 -13.733 17.222 1.00 22.27 H new ATOM 0 HB3 GLU A 116 34.217 -14.992 16.704 1.00 22.27 H new ATOM 0 HG2 GLU A 116 34.269 -14.217 14.543 1.00 25.32 H new ATOM 0 HG3 GLU A 116 34.830 -12.837 15.005 1.00 25.32 H new ATOM 707 N LYS A 117 31.223 -13.069 18.466 1.00 25.50 N ATOM 708 CA LYS A 117 30.542 -13.211 19.762 1.00 26.59 C ATOM 709 C LYS A 117 29.068 -12.993 19.546 1.00 26.71 C ATOM 710 O LYS A 117 28.635 -12.515 18.484 1.00 28.91 O ATOM 711 CB LYS A 117 31.056 -12.221 20.795 1.00 28.62 C ATOM 712 CG LYS A 117 30.636 -10.746 20.593 1.00 29.29 C ATOM 713 CD LYS A 117 31.112 -9.912 21.787 1.00 32.99 C ATOM 714 CE LYS A 117 30.137 -8.881 22.348 1.00 36.34 C ATOM 715 NZ LYS A 117 28.829 -9.451 22.939 1.00 39.88 N ATOM 0 H LYS A 117 30.773 -12.616 17.890 1.00 25.50 H new ATOM 0 HA LYS A 117 30.719 -14.100 20.106 1.00 26.59 H new ATOM 0 HB2 LYS A 117 30.752 -12.508 21.670 1.00 28.62 H new ATOM 0 HB3 LYS A 117 32.025 -12.264 20.803 1.00 28.62 H new ATOM 0 HG2 LYS A 117 31.018 -10.400 19.771 1.00 29.29 H new ATOM 0 HG3 LYS A 117 29.672 -10.683 20.506 1.00 29.29 H new ATOM 0 HD2 LYS A 117 31.351 -10.521 22.503 1.00 32.99 H new ATOM 0 HD3 LYS A 117 31.923 -9.448 21.526 1.00 32.99 H new ATOM 0 HE2 LYS A 117 30.591 -8.373 23.039 1.00 36.34 H new ATOM 0 HE3 LYS A 117 29.909 -8.257 21.641 1.00 36.34 H new ATOM 0 HZ1 LYS A 117 28.237 -8.794 23.040 1.00 39.88 H new ATOM 0 HZ2 LYS A 117 28.497 -10.066 22.388 1.00 39.88 H new ATOM 0 HZ3 LYS A 117 28.997 -9.822 23.730 1.00 39.88 H new ATOM 716 N ASP A 118 28.322 -13.401 20.557 1.00 26.03 N ATOM 717 CA ASP A 118 26.925 -13.315 20.581 1.00 25.86 C ATOM 718 C ASP A 118 26.579 -11.918 21.096 1.00 24.64 C ATOM 719 O ASP A 118 27.193 -11.395 22.032 1.00 20.28 O ATOM 720 CB ASP A 118 26.364 -14.368 21.551 1.00 29.27 C ATOM 721 CG ASP A 118 26.879 -15.788 21.298 1.00 28.88 C ATOM 722 OD1 ASP A 118 27.069 -16.182 20.133 1.00 30.41 O ATOM 723 OD2 ASP A 118 27.017 -16.528 22.298 1.00 31.76 O ATOM 0 H ASP A 118 28.654 -13.748 21.270 1.00 26.03 H new ATOM 0 HA ASP A 118 26.548 -13.470 19.701 1.00 25.86 H new ATOM 0 HB2 ASP A 118 26.588 -14.110 22.459 1.00 29.27 H new ATOM 0 HB3 ASP A 118 25.396 -14.369 21.488 1.00 29.27 H new ATOM 724 N MET A 119 25.572 -11.297 20.496 1.00 24.94 N ATOM 725 CA MET A 119 25.260 -9.921 20.872 1.00 24.23 C ATOM 726 C MET A 119 23.812 -9.501 20.580 1.00 23.81 C ATOM 727 O MET A 119 23.070 -10.155 19.789 1.00 23.03 O ATOM 728 CB MET A 119 26.232 -8.973 20.194 1.00 26.31 C ATOM 729 CG MET A 119 26.215 -8.966 18.706 1.00 27.49 C ATOM 730 SD MET A 119 27.563 -7.888 18.088 1.00 28.85 S ATOM 731 CE MET A 119 28.854 -8.972 17.563 1.00 26.54 C ATOM 0 H MET A 119 25.070 -11.639 19.887 1.00 24.94 H new ATOM 0 HA MET A 119 25.356 -9.873 21.836 1.00 24.23 H new ATOM 0 HB2 MET A 119 26.047 -8.073 20.505 1.00 26.31 H new ATOM 0 HB3 MET A 119 27.129 -9.196 20.487 1.00 26.31 H new ATOM 0 HG2 MET A 119 26.327 -9.868 18.367 1.00 27.49 H new ATOM 0 HG3 MET A 119 25.358 -8.646 18.384 1.00 27.49 H new ATOM 0 HE1 MET A 119 29.709 -8.522 17.646 1.00 26.54 H new ATOM 0 HE2 MET A 119 28.853 -9.768 18.117 1.00 26.54 H new ATOM 0 HE3 MET A 119 28.710 -9.222 16.637 1.00 26.54 H new ATOM 732 N THR A 120 23.409 -8.487 21.335 1.00 20.38 N ATOM 733 CA THR A 120 22.173 -7.776 21.125 1.00 21.83 C ATOM 734 C THR A 120 22.307 -6.814 19.979 1.00 20.84 C ATOM 735 O THR A 120 23.393 -6.520 19.509 1.00 18.60 O ATOM 736 CB THR A 120 21.772 -7.017 22.384 1.00 22.09 C ATOM 737 OG1 THR A 120 22.740 -6.022 22.738 1.00 19.08 O ATOM 738 CG2 THR A 120 21.652 -8.047 23.596 1.00 23.63 C ATOM 0 H THR A 120 23.865 -8.190 22.001 1.00 20.38 H new ATOM 0 HA THR A 120 21.484 -8.426 20.914 1.00 21.83 H new ATOM 0 HB THR A 120 20.926 -6.577 22.207 1.00 22.09 H new ATOM 0 HG1 THR A 120 22.536 -5.684 23.479 1.00 19.08 H new ATOM 0 HG21 THR A 120 21.397 -7.571 24.402 1.00 23.63 H new ATOM 0 HG22 THR A 120 20.979 -8.714 23.389 1.00 23.63 H new ATOM 0 HG23 THR A 120 22.507 -8.483 23.736 1.00 23.63 H new ATOM 739 N LEU A 121 21.183 -6.317 19.526 1.00 22.28 N ATOM 740 CA LEU A 121 21.173 -5.267 18.484 1.00 21.18 C ATOM 741 C LEU A 121 21.985 -4.095 18.916 1.00 19.96 C ATOM 742 O LEU A 121 22.770 -3.566 18.161 1.00 23.40 O ATOM 743 CB LEU A 121 19.776 -4.814 18.190 1.00 22.33 C ATOM 744 CG LEU A 121 18.929 -5.813 17.418 1.00 22.75 C ATOM 745 CD1 LEU A 121 17.645 -5.118 17.012 1.00 20.81 C ATOM 746 CD2 LEU A 121 19.679 -6.247 16.145 1.00 27.08 C ATOM 0 H LEU A 121 20.404 -6.561 19.796 1.00 22.28 H new ATOM 0 HA LEU A 121 21.557 -5.649 17.680 1.00 21.18 H new ATOM 0 HB2 LEU A 121 19.332 -4.613 19.029 1.00 22.33 H new ATOM 0 HB3 LEU A 121 19.818 -3.987 17.685 1.00 22.33 H new ATOM 0 HG LEU A 121 18.745 -6.592 17.966 1.00 22.75 H new ATOM 0 HD11 LEU A 121 17.085 -5.736 16.516 1.00 20.81 H new ATOM 0 HD12 LEU A 121 17.173 -4.820 17.805 1.00 20.81 H new ATOM 0 HD13 LEU A 121 17.854 -4.353 16.454 1.00 20.81 H new ATOM 0 HD21 LEU A 121 19.139 -6.884 15.652 1.00 27.08 H new ATOM 0 HD22 LEU A 121 19.850 -5.471 15.589 1.00 27.08 H new ATOM 0 HD23 LEU A 121 20.522 -6.660 16.391 1.00 27.08 H new ATOM 747 N GLY A 122 21.855 -3.744 20.166 1.00 20.30 N ATOM 748 CA GLY A 122 22.482 -2.575 20.713 1.00 19.92 C ATOM 749 C GLY A 122 23.980 -2.723 20.751 1.00 22.01 C ATOM 750 O GLY A 122 24.710 -1.769 20.469 1.00 22.43 O ATOM 0 H GLY A 122 21.389 -4.188 20.736 1.00 20.30 H new ATOM 0 HA2 GLY A 122 22.245 -1.800 20.181 1.00 19.92 H new ATOM 0 HA3 GLY A 122 22.148 -2.416 21.610 1.00 19.92 H new ATOM 751 N GLU A 123 24.450 -3.903 21.114 1.00 23.91 N ATOM 752 CA GLU A 123 25.891 -4.165 21.151 1.00 26.17 C ATOM 753 C GLU A 123 26.399 -4.135 19.693 1.00 23.77 C ATOM 754 O GLU A 123 27.473 -3.661 19.418 1.00 23.61 O ATOM 755 CB GLU A 123 26.216 -5.527 21.820 1.00 26.02 C ATOM 756 CG GLU A 123 25.869 -5.581 23.318 1.00 32.21 C ATOM 757 CD GLU A 123 25.915 -7.023 23.872 1.00 35.05 C ATOM 758 OE1 GLU A 123 25.316 -7.962 23.314 1.00 27.07 O ATOM 759 OE2 GLU A 123 26.620 -7.239 24.871 1.00 46.93 O ATOM 0 H GLU A 123 23.958 -4.570 21.344 1.00 23.91 H new ATOM 0 HA GLU A 123 26.334 -3.489 21.687 1.00 26.17 H new ATOM 0 HB2 GLU A 123 25.730 -6.229 21.359 1.00 26.02 H new ATOM 0 HB3 GLU A 123 27.161 -5.715 21.708 1.00 26.02 H new ATOM 0 HG2 GLU A 123 26.491 -5.025 23.813 1.00 32.21 H new ATOM 0 HG3 GLU A 123 24.984 -5.210 23.458 1.00 32.21 H new ATOM 760 N ALA A 124 25.588 -4.664 18.800 1.00 22.25 N ATOM 761 CA ALA A 124 25.878 -4.688 17.414 1.00 23.63 C ATOM 762 C ALA A 124 25.912 -3.304 16.815 1.00 23.45 C ATOM 763 O ALA A 124 26.679 -3.071 15.904 1.00 23.24 O ATOM 764 CB ALA A 124 24.901 -5.573 16.659 1.00 22.97 C ATOM 0 H ALA A 124 24.835 -5.026 19.003 1.00 22.25 H new ATOM 0 HA ALA A 124 26.766 -5.067 17.323 1.00 23.63 H new ATOM 0 HB1 ALA A 124 25.124 -5.570 15.715 1.00 22.97 H new ATOM 0 HB2 ALA A 124 24.955 -6.479 17.000 1.00 22.97 H new ATOM 0 HB3 ALA A 124 23.999 -5.236 16.779 1.00 22.97 H new ATOM 765 N MET A 125 25.115 -2.384 17.336 1.00 23.98 N ATOM 766 CA MET A 125 25.211 -0.998 16.887 1.00 23.84 C ATOM 767 C MET A 125 26.541 -0.437 17.303 1.00 24.49 C ATOM 768 O MET A 125 27.199 0.242 16.513 1.00 26.26 O ATOM 769 CB MET A 125 24.109 -0.164 17.520 1.00 24.06 C ATOM 770 CG MET A 125 23.875 1.203 16.888 1.00 22.98 C ATOM 771 SD MET A 125 23.005 1.132 15.326 1.00 24.25 S ATOM 772 CE MET A 125 21.374 0.560 15.736 1.00 26.57 C ATOM 0 H MET A 125 24.521 -2.533 17.940 1.00 23.98 H new ATOM 0 HA MET A 125 25.120 -0.972 15.922 1.00 23.84 H new ATOM 0 HB2 MET A 125 23.281 -0.667 17.480 1.00 24.06 H new ATOM 0 HB3 MET A 125 24.319 -0.037 18.458 1.00 24.06 H new ATOM 0 HG2 MET A 125 23.370 1.754 17.506 1.00 22.98 H new ATOM 0 HG3 MET A 125 24.731 1.639 16.753 1.00 22.98 H new ATOM 0 HE1 MET A 125 21.110 -0.138 15.116 1.00 26.57 H new ATOM 0 HE2 MET A 125 21.372 0.207 16.639 1.00 26.57 H new ATOM 0 HE3 MET A 125 20.748 1.298 15.677 1.00 26.57 H new ATOM 773 N ALA A 126 26.967 -0.694 18.540 1.00 24.62 N ATOM 774 CA ALA A 126 28.216 -0.060 19.029 1.00 24.15 C ATOM 775 C ALA A 126 29.415 -0.633 18.273 1.00 22.94 C ATOM 776 O ALA A 126 30.341 0.078 17.962 1.00 21.46 O ATOM 777 CB ALA A 126 28.389 -0.207 20.561 1.00 21.66 C ATOM 0 H ALA A 126 26.571 -1.212 19.101 1.00 24.62 H new ATOM 0 HA ALA A 126 28.159 0.892 18.854 1.00 24.15 H new ATOM 0 HB1 ALA A 126 29.215 0.220 20.836 1.00 21.66 H new ATOM 0 HB2 ALA A 126 27.642 0.215 21.013 1.00 21.66 H new ATOM 0 HB3 ALA A 126 28.419 -1.148 20.795 1.00 21.66 H new ATOM 778 N LEU A 127 29.373 -1.935 17.965 1.00 24.89 N ATOM 779 CA LEU A 127 30.471 -2.608 17.294 1.00 21.78 C ATOM 780 C LEU A 127 30.359 -2.489 15.783 1.00 23.19 C ATOM 781 O LEU A 127 31.314 -2.866 15.050 1.00 25.15 O ATOM 782 CB LEU A 127 30.484 -4.072 17.704 1.00 22.12 C ATOM 783 CG LEU A 127 30.856 -4.358 19.148 1.00 25.27 C ATOM 784 CD1 LEU A 127 30.744 -5.849 19.433 1.00 27.37 C ATOM 785 CD2 LEU A 127 32.272 -3.898 19.493 1.00 26.15 C ATOM 0 H LEU A 127 28.704 -2.445 18.143 1.00 24.89 H new ATOM 0 HA LEU A 127 31.301 -2.182 17.559 1.00 21.78 H new ATOM 0 HB2 LEU A 127 29.604 -4.444 17.536 1.00 22.12 H new ATOM 0 HB3 LEU A 127 31.106 -4.545 17.129 1.00 22.12 H new ATOM 0 HG LEU A 127 30.234 -3.857 19.698 1.00 25.27 H new ATOM 0 HD11 LEU A 127 30.984 -6.021 20.357 1.00 27.37 H new ATOM 0 HD12 LEU A 127 29.832 -6.141 19.276 1.00 27.37 H new ATOM 0 HD13 LEU A 127 31.345 -6.337 18.848 1.00 27.37 H new ATOM 0 HD21 LEU A 127 32.461 -4.102 20.422 1.00 26.15 H new ATOM 0 HD22 LEU A 127 32.909 -4.358 18.925 1.00 26.15 H new ATOM 0 HD23 LEU A 127 32.345 -2.941 19.351 1.00 26.15 H new ATOM 786 N SER A 128 29.207 -1.988 15.312 1.00 21.93 N ATOM 787 CA SER A 128 28.838 -2.006 13.890 1.00 23.31 C ATOM 788 C SER A 128 28.972 -3.391 13.280 1.00 21.67 C ATOM 789 O SER A 128 29.645 -3.571 12.267 1.00 23.11 O ATOM 790 CB SER A 128 29.706 -1.020 13.073 1.00 27.15 C ATOM 791 OG SER A 128 29.060 -0.612 11.812 1.00 29.24 O ATOM 0 H SER A 128 28.613 -1.625 15.817 1.00 21.93 H new ATOM 0 HA SER A 128 27.907 -1.735 13.850 1.00 23.31 H new ATOM 0 HB2 SER A 128 29.888 -0.233 13.609 1.00 27.15 H new ATOM 0 HB3 SER A 128 30.561 -1.433 12.876 1.00 27.15 H new ATOM 0 HG SER A 128 28.538 -1.218 11.556 1.00 29.24 H new ATOM 792 N ALA A 129 28.315 -4.356 13.888 1.00 20.80 N ATOM 793 CA ALA A 129 28.449 -5.769 13.539 1.00 19.86 C ATOM 794 C ALA A 129 27.601 -6.092 12.346 1.00 21.17 C ATOM 795 O ALA A 129 26.387 -6.350 12.457 1.00 22.57 O ATOM 796 CB ALA A 129 28.098 -6.612 14.721 1.00 19.33 C ATOM 0 H ALA A 129 27.763 -4.213 14.532 1.00 20.80 H new ATOM 0 HA ALA A 129 29.369 -5.962 13.298 1.00 19.86 H new ATOM 0 HB1 ALA A 129 28.187 -7.549 14.488 1.00 19.33 H new ATOM 0 HB2 ALA A 129 28.695 -6.404 15.456 1.00 19.33 H new ATOM 0 HB3 ALA A 129 27.183 -6.431 14.987 1.00 19.33 H new ATOM 797 N VAL A 130 28.220 -5.977 11.168 1.00 21.66 N ATOM 798 CA VAL A 130 27.525 -6.177 9.928 1.00 23.07 C ATOM 799 C VAL A 130 26.724 -7.491 9.901 1.00 23.73 C ATOM 800 O VAL A 130 25.575 -7.518 9.489 1.00 25.41 O ATOM 801 CB VAL A 130 28.512 -6.098 8.734 1.00 25.83 C ATOM 802 CG1 VAL A 130 27.850 -6.544 7.459 1.00 25.65 C ATOM 803 CG2 VAL A 130 28.986 -4.675 8.548 1.00 29.06 C ATOM 0 H VAL A 130 29.053 -5.781 11.081 1.00 21.66 H new ATOM 0 HA VAL A 130 26.877 -5.460 9.845 1.00 23.07 H new ATOM 0 HB VAL A 130 29.261 -6.682 8.931 1.00 25.83 H new ATOM 0 HG11 VAL A 130 28.484 -6.486 6.727 1.00 25.65 H new ATOM 0 HG12 VAL A 130 27.549 -7.461 7.554 1.00 25.65 H new ATOM 0 HG13 VAL A 130 27.089 -5.972 7.272 1.00 25.65 H new ATOM 0 HG21 VAL A 130 29.602 -4.634 7.800 1.00 29.06 H new ATOM 0 HG22 VAL A 130 28.225 -4.101 8.371 1.00 29.06 H new ATOM 0 HG23 VAL A 130 29.436 -4.376 9.354 1.00 29.06 H new ATOM 804 N PRO A 131 27.303 -8.587 10.382 1.00 21.86 N ATOM 805 CA PRO A 131 26.497 -9.834 10.280 1.00 21.26 C ATOM 806 C PRO A 131 25.223 -9.833 11.013 1.00 19.10 C ATOM 807 O PRO A 131 24.279 -10.424 10.560 1.00 21.40 O ATOM 808 CB PRO A 131 27.440 -10.930 10.831 1.00 20.36 C ATOM 809 CG PRO A 131 28.837 -10.339 10.570 1.00 22.07 C ATOM 810 CD PRO A 131 28.698 -8.842 10.772 1.00 21.15 C ATOM 0 HA PRO A 131 26.214 -9.964 9.361 1.00 21.26 H new ATOM 0 HB2 PRO A 131 27.289 -11.094 11.775 1.00 20.36 H new ATOM 0 HB3 PRO A 131 27.315 -11.776 10.373 1.00 20.36 H new ATOM 0 HG2 PRO A 131 29.492 -10.713 11.180 1.00 22.07 H new ATOM 0 HG3 PRO A 131 29.138 -10.542 9.671 1.00 22.07 H new ATOM 0 HD2 PRO A 131 28.867 -8.586 11.692 1.00 21.15 H new ATOM 0 HD3 PRO A 131 29.322 -8.345 10.220 1.00 21.15 H new ATOM 811 N VAL A 132 25.143 -9.137 12.127 1.00 19.64 N ATOM 812 CA VAL A 132 23.891 -9.096 12.879 1.00 19.69 C ATOM 813 C VAL A 132 22.826 -8.311 12.121 1.00 20.19 C ATOM 814 O VAL A 132 21.673 -8.776 11.974 1.00 20.68 O ATOM 815 CB VAL A 132 24.113 -8.513 14.279 1.00 19.95 C ATOM 816 CG1 VAL A 132 22.803 -8.218 15.013 1.00 19.34 C ATOM 817 CG2 VAL A 132 24.944 -9.488 15.056 1.00 20.26 C ATOM 0 H VAL A 132 25.789 -8.684 12.469 1.00 19.64 H new ATOM 0 HA VAL A 132 23.573 -10.006 12.982 1.00 19.69 H new ATOM 0 HB VAL A 132 24.567 -7.660 14.193 1.00 19.95 H new ATOM 0 HG11 VAL A 132 22.998 -7.852 15.890 1.00 19.34 H new ATOM 0 HG12 VAL A 132 22.284 -7.576 14.504 1.00 19.34 H new ATOM 0 HG13 VAL A 132 22.295 -9.038 15.111 1.00 19.34 H new ATOM 0 HG21 VAL A 132 25.099 -9.142 15.949 1.00 20.26 H new ATOM 0 HG22 VAL A 132 24.477 -10.336 15.115 1.00 20.26 H new ATOM 0 HG23 VAL A 132 25.794 -9.618 14.608 1.00 20.26 H new ATOM 818 N TYR A 133 23.251 -7.168 11.566 1.00 21.98 N ATOM 819 CA TYR A 133 22.360 -6.295 10.771 1.00 21.41 C ATOM 820 C TYR A 133 21.969 -6.976 9.488 1.00 21.89 C ATOM 821 O TYR A 133 20.855 -6.862 9.069 1.00 22.62 O ATOM 822 CB TYR A 133 22.901 -4.819 10.655 1.00 20.53 C ATOM 823 CG TYR A 133 22.603 -4.171 11.980 1.00 19.03 C ATOM 824 CD1 TYR A 133 21.326 -3.876 12.314 1.00 20.26 C ATOM 825 CD2 TYR A 133 23.582 -3.927 12.932 1.00 20.12 C ATOM 826 CE1 TYR A 133 20.993 -3.293 13.530 1.00 19.99 C ATOM 827 CE2 TYR A 133 23.256 -3.409 14.192 1.00 18.77 C ATOM 828 CZ TYR A 133 21.958 -3.119 14.479 1.00 19.50 C ATOM 829 OH TYR A 133 21.545 -2.614 15.681 1.00 21.98 O ATOM 0 H TYR A 133 24.057 -6.876 11.637 1.00 21.98 H new ATOM 0 HA TYR A 133 21.524 -6.165 11.245 1.00 21.41 H new ATOM 0 HB2 TYR A 133 23.853 -4.810 10.469 1.00 20.53 H new ATOM 0 HB3 TYR A 133 22.466 -4.344 9.929 1.00 20.53 H new ATOM 0 HD1 TYR A 133 20.647 -4.070 11.709 1.00 20.26 H new ATOM 0 HD2 TYR A 133 24.471 -4.111 12.730 1.00 20.12 H new ATOM 0 HE1 TYR A 133 20.119 -3.023 13.696 1.00 19.99 H new ATOM 0 HE2 TYR A 133 23.921 -3.265 14.826 1.00 18.77 H new ATOM 0 HH TYR A 133 21.970 -2.986 16.303 1.00 21.98 H new ATOM 830 N GLN A 134 22.854 -7.776 8.931 1.00 22.66 N ATOM 831 CA GLN A 134 22.471 -8.640 7.795 1.00 24.59 C ATOM 832 C GLN A 134 21.408 -9.722 8.147 1.00 23.14 C ATOM 833 O GLN A 134 20.434 -9.915 7.423 1.00 23.28 O ATOM 834 CB GLN A 134 23.715 -9.288 7.173 1.00 24.48 C ATOM 835 CG GLN A 134 24.587 -8.293 6.461 1.00 23.91 C ATOM 836 CD GLN A 134 25.750 -8.931 5.734 1.00 27.22 C ATOM 837 OE1 GLN A 134 26.584 -9.562 6.343 1.00 31.87 O ATOM 838 NE2 GLN A 134 25.826 -8.735 4.428 1.00 27.31 N ATOM 0 H GLN A 134 23.674 -7.845 9.180 1.00 22.66 H new ATOM 0 HA GLN A 134 22.046 -8.055 7.148 1.00 24.59 H new ATOM 0 HB2 GLN A 134 24.230 -9.726 7.869 1.00 24.48 H new ATOM 0 HB3 GLN A 134 23.439 -9.977 6.548 1.00 24.48 H new ATOM 0 HG2 GLN A 134 24.048 -7.797 5.825 1.00 23.91 H new ATOM 0 HG3 GLN A 134 24.928 -7.652 7.104 1.00 23.91 H new ATOM 0 HE21 GLN A 134 25.216 -8.282 4.025 1.00 27.31 H new ATOM 0 HE22 GLN A 134 26.485 -9.061 3.982 1.00 27.31 H new ATOM 839 N GLU A 135 21.609 -10.440 9.239 1.00 24.69 N ATOM 840 CA GLU A 135 20.574 -11.342 9.746 1.00 22.92 C ATOM 841 C GLU A 135 19.262 -10.587 9.976 1.00 23.96 C ATOM 842 O GLU A 135 18.211 -11.062 9.634 1.00 25.88 O ATOM 843 CB GLU A 135 21.077 -11.987 11.064 1.00 24.35 C ATOM 844 CG GLU A 135 20.025 -12.780 11.828 1.00 27.79 C ATOM 845 CD GLU A 135 19.391 -13.916 11.018 1.00 27.64 C ATOM 846 OE1 GLU A 135 18.364 -14.489 11.445 1.00 28.16 O ATOM 847 OE2 GLU A 135 19.905 -14.212 9.932 1.00 32.68 O ATOM 0 H GLU A 135 22.332 -10.424 9.704 1.00 24.69 H new ATOM 0 HA GLU A 135 20.399 -12.036 9.092 1.00 22.92 H new ATOM 0 HB2 GLU A 135 21.821 -12.575 10.859 1.00 24.35 H new ATOM 0 HB3 GLU A 135 21.419 -11.287 11.642 1.00 24.35 H new ATOM 0 HG2 GLU A 135 20.431 -13.152 12.627 1.00 27.79 H new ATOM 0 HG3 GLU A 135 19.326 -12.174 12.120 1.00 27.79 H new ATOM 848 N LEU A 136 19.310 -9.394 10.558 1.00 23.08 N ATOM 849 CA LEU A 136 18.066 -8.694 10.812 1.00 24.30 C ATOM 850 C LEU A 136 17.334 -8.372 9.510 1.00 23.11 C ATOM 851 O LEU A 136 16.114 -8.524 9.407 1.00 23.21 O ATOM 852 CB LEU A 136 18.302 -7.413 11.654 1.00 22.97 C ATOM 853 CG LEU A 136 17.044 -6.708 12.159 1.00 22.65 C ATOM 854 CD1 LEU A 136 16.226 -7.500 13.165 1.00 24.29 C ATOM 855 CD2 LEU A 136 17.433 -5.430 12.832 1.00 23.37 C ATOM 0 H LEU A 136 20.026 -8.987 10.805 1.00 23.08 H new ATOM 0 HA LEU A 136 17.498 -9.286 11.330 1.00 24.30 H new ATOM 0 HB2 LEU A 136 18.851 -7.646 12.419 1.00 22.97 H new ATOM 0 HB3 LEU A 136 18.812 -6.784 11.120 1.00 22.97 H new ATOM 0 HG LEU A 136 16.494 -6.579 11.370 1.00 22.65 H new ATOM 0 HD11 LEU A 136 15.450 -6.982 13.431 1.00 24.29 H new ATOM 0 HD12 LEU A 136 15.935 -8.333 12.762 1.00 24.29 H new ATOM 0 HD13 LEU A 136 16.770 -7.692 13.945 1.00 24.29 H new ATOM 0 HD21 LEU A 136 16.637 -4.979 13.154 1.00 23.37 H new ATOM 0 HD22 LEU A 136 18.020 -5.623 13.580 1.00 23.37 H new ATOM 0 HD23 LEU A 136 17.894 -4.858 12.199 1.00 23.37 H new ATOM 856 N ALA A 137 18.096 -7.895 8.534 1.00 23.57 N ATOM 857 CA ALA A 137 17.568 -7.547 7.224 1.00 23.21 C ATOM 858 C ALA A 137 16.933 -8.779 6.522 1.00 24.74 C ATOM 859 O ALA A 137 15.842 -8.695 5.901 1.00 27.29 O ATOM 860 CB ALA A 137 18.681 -6.904 6.373 1.00 21.10 C ATOM 0 H ALA A 137 18.942 -7.763 8.615 1.00 23.57 H new ATOM 0 HA ALA A 137 16.855 -6.898 7.333 1.00 23.21 H new ATOM 0 HB1 ALA A 137 18.328 -6.672 5.500 1.00 21.10 H new ATOM 0 HB2 ALA A 137 19.004 -6.102 6.814 1.00 21.10 H new ATOM 0 HB3 ALA A 137 19.413 -7.532 6.269 1.00 21.10 H new ATOM 861 N ARG A 138 17.589 -9.926 6.618 1.00 23.81 N ATOM 862 CA ARG A 138 16.977 -11.145 6.071 1.00 23.59 C ATOM 863 C ARG A 138 15.700 -11.495 6.815 1.00 23.77 C ATOM 864 O ARG A 138 14.804 -12.011 6.207 1.00 27.56 O ATOM 865 CB ARG A 138 17.920 -12.325 6.146 1.00 24.46 C ATOM 866 CG ARG A 138 19.199 -12.134 5.332 1.00 28.34 C ATOM 867 CD ARG A 138 20.317 -13.157 5.637 1.00 29.25 C ATOM 868 NE ARG A 138 21.480 -12.952 4.768 1.00 30.19 N ATOM 869 CZ ARG A 138 22.749 -12.814 5.189 1.00 30.06 C ATOM 870 NH1 ARG A 138 23.055 -12.891 6.463 1.00 30.48 N ATOM 871 NH2 ARG A 138 23.739 -12.613 4.325 1.00 29.05 N ATOM 0 H ARG A 138 18.362 -10.028 6.981 1.00 23.81 H new ATOM 0 HA ARG A 138 16.774 -10.960 5.141 1.00 23.59 H new ATOM 0 HB2 ARG A 138 18.156 -12.483 7.073 1.00 24.46 H new ATOM 0 HB3 ARG A 138 17.460 -13.119 5.831 1.00 24.46 H new ATOM 0 HG2 ARG A 138 18.978 -12.186 4.389 1.00 28.34 H new ATOM 0 HG3 ARG A 138 19.541 -11.241 5.495 1.00 28.34 H new ATOM 0 HD2 ARG A 138 20.587 -13.077 6.565 1.00 29.25 H new ATOM 0 HD3 ARG A 138 19.976 -14.057 5.517 1.00 29.25 H new ATOM 0 HE ARG A 138 21.339 -12.917 3.920 1.00 30.19 H new ATOM 0 HH11 ARG A 138 22.438 -13.032 7.046 1.00 30.48 H new ATOM 0 HH12 ARG A 138 23.872 -12.800 6.715 1.00 30.48 H new ATOM 0 HH21 ARG A 138 23.572 -12.569 3.482 1.00 29.05 H new ATOM 0 HH22 ARG A 138 24.546 -12.526 4.609 1.00 29.05 H new ATOM 872 N ARG A 139 15.607 -11.256 8.132 1.00 23.48 N ATOM 873 CA ARG A 139 14.395 -11.615 8.822 1.00 23.74 C ATOM 874 C ARG A 139 13.272 -10.762 8.267 1.00 26.65 C ATOM 875 O ARG A 139 12.216 -11.265 7.944 1.00 27.04 O ATOM 876 CB ARG A 139 14.494 -11.431 10.320 1.00 23.43 C ATOM 877 CG ARG A 139 15.601 -12.260 10.988 1.00 25.37 C ATOM 878 CD ARG A 139 15.519 -12.064 12.490 1.00 25.35 C ATOM 879 NE ARG A 139 16.535 -12.802 13.215 1.00 27.52 N ATOM 880 CZ ARG A 139 16.574 -12.884 14.536 1.00 23.78 C ATOM 881 NH1 ARG A 139 15.710 -12.247 15.313 1.00 23.36 N ATOM 882 NH2 ARG A 139 17.499 -13.607 15.092 1.00 25.16 N ATOM 0 H ARG A 139 16.220 -10.898 8.617 1.00 23.48 H new ATOM 0 HA ARG A 139 14.227 -12.559 8.675 1.00 23.74 H new ATOM 0 HB2 ARG A 139 14.648 -10.492 10.510 1.00 23.43 H new ATOM 0 HB3 ARG A 139 13.642 -11.666 10.721 1.00 23.43 H new ATOM 0 HG2 ARG A 139 15.498 -13.199 10.766 1.00 25.37 H new ATOM 0 HG3 ARG A 139 16.471 -11.984 10.660 1.00 25.37 H new ATOM 0 HD2 ARG A 139 15.606 -11.119 12.693 1.00 25.35 H new ATOM 0 HD3 ARG A 139 14.643 -12.341 12.800 1.00 25.35 H new ATOM 0 HE ARG A 139 17.144 -13.208 12.763 1.00 27.52 H new ATOM 0 HH11 ARG A 139 15.095 -11.758 14.962 1.00 23.36 H new ATOM 0 HH12 ARG A 139 15.764 -12.322 16.168 1.00 23.36 H new ATOM 0 HH21 ARG A 139 18.072 -14.022 14.603 1.00 25.16 H new ATOM 0 HH22 ARG A 139 17.538 -13.671 15.949 1.00 25.16 H new ATOM 883 N THR A 140 13.520 -9.455 8.130 1.00 28.00 N ATOM 884 CA THR A 140 12.544 -8.535 7.607 1.00 24.87 C ATOM 885 C THR A 140 12.151 -8.892 6.173 1.00 23.50 C ATOM 886 O THR A 140 10.991 -8.893 5.865 1.00 24.51 O ATOM 887 CB THR A 140 13.181 -7.158 7.651 1.00 27.60 C ATOM 888 OG1 THR A 140 13.432 -6.825 8.998 1.00 23.54 O ATOM 889 CG2 THR A 140 12.308 -6.049 6.987 1.00 28.45 C ATOM 0 H THR A 140 14.268 -9.088 8.343 1.00 28.00 H new ATOM 0 HA THR A 140 11.731 -8.569 8.135 1.00 24.87 H new ATOM 0 HB THR A 140 14.003 -7.199 7.138 1.00 27.60 H new ATOM 0 HG1 THR A 140 13.936 -6.154 9.032 1.00 23.54 H new ATOM 0 HG21 THR A 140 12.767 -5.197 7.047 1.00 28.45 H new ATOM 0 HG22 THR A 140 12.158 -6.270 6.055 1.00 28.45 H new ATOM 0 HG23 THR A 140 11.456 -5.990 7.446 1.00 28.45 H new ATOM 890 N GLY A 141 13.109 -9.230 5.316 1.00 21.75 N ATOM 891 CA GLY A 141 12.797 -9.647 3.923 1.00 24.49 C ATOM 892 C GLY A 141 12.756 -8.445 2.963 1.00 24.56 C ATOM 893 O GLY A 141 12.409 -7.350 3.341 1.00 21.62 O ATOM 0 H GLY A 141 13.947 -9.229 5.508 1.00 21.75 H new ATOM 0 HA2 GLY A 141 13.464 -10.282 3.618 1.00 24.49 H new ATOM 0 HA3 GLY A 141 11.942 -10.104 3.906 1.00 24.49 H new ATOM 894 N LEU A 142 13.135 -8.681 1.730 1.00 27.45 N ATOM 895 CA LEU A 142 13.208 -7.679 0.685 1.00 31.08 C ATOM 896 C LEU A 142 11.947 -6.835 0.568 1.00 33.47 C ATOM 897 O LEU A 142 11.987 -5.602 0.633 1.00 36.40 O ATOM 898 CB LEU A 142 13.474 -8.368 -0.651 1.00 29.75 C ATOM 899 CG LEU A 142 13.729 -7.314 -1.744 1.00 31.31 C ATOM 900 CD1 LEU A 142 15.105 -6.639 -1.687 1.00 28.99 C ATOM 901 CD2 LEU A 142 13.593 -8.049 -3.059 1.00 31.55 C ATOM 0 H LEU A 142 13.369 -9.464 1.461 1.00 27.45 H new ATOM 0 HA LEU A 142 13.930 -7.076 0.922 1.00 31.08 H new ATOM 0 HB2 LEU A 142 14.241 -8.957 -0.573 1.00 29.75 H new ATOM 0 HB3 LEU A 142 12.716 -8.921 -0.895 1.00 29.75 H new ATOM 0 HG LEU A 142 13.094 -6.591 -1.623 1.00 31.31 H new ATOM 0 HD11 LEU A 142 15.179 -5.994 -2.407 1.00 28.99 H new ATOM 0 HD12 LEU A 142 15.208 -6.186 -0.836 1.00 28.99 H new ATOM 0 HD13 LEU A 142 15.799 -7.310 -1.782 1.00 28.99 H new ATOM 0 HD21 LEU A 142 13.744 -7.432 -3.792 1.00 31.55 H new ATOM 0 HD22 LEU A 142 14.247 -8.764 -3.099 1.00 31.55 H new ATOM 0 HD23 LEU A 142 12.701 -8.423 -3.130 1.00 31.55 H new ATOM 902 N GLU A 143 10.828 -7.532 0.505 1.00 32.28 N ATOM 903 CA GLU A 143 9.538 -6.928 0.252 1.00 34.32 C ATOM 904 C GLU A 143 9.129 -5.980 1.352 1.00 33.39 C ATOM 905 O GLU A 143 8.729 -4.816 1.108 1.00 31.55 O ATOM 906 CB GLU A 143 8.456 -7.992 0.088 1.00 33.40 C ATOM 907 CG GLU A 143 7.096 -7.346 -0.028 1.00 40.58 C ATOM 908 CD GLU A 143 6.006 -8.270 -0.541 1.00 46.64 C ATOM 909 OE1 GLU A 143 6.333 -9.347 -1.075 1.00 53.32 O ATOM 910 OE2 GLU A 143 4.817 -7.902 -0.398 1.00 49.40 O ATOM 0 H GLU A 143 10.797 -8.385 0.610 1.00 32.28 H new ATOM 0 HA GLU A 143 9.629 -6.425 -0.572 1.00 34.32 H new ATOM 0 HB2 GLU A 143 8.636 -8.525 -0.702 1.00 33.40 H new ATOM 0 HB3 GLU A 143 8.470 -8.596 0.847 1.00 33.40 H new ATOM 0 HG2 GLU A 143 6.835 -7.008 0.843 1.00 40.58 H new ATOM 0 HG3 GLU A 143 7.163 -6.581 -0.621 1.00 40.58 H new ATOM 911 N LEU A 144 9.205 -6.479 2.566 1.00 30.59 N ATOM 912 CA LEU A 144 8.934 -5.621 3.711 1.00 29.59 C ATOM 913 C LEU A 144 9.982 -4.515 3.855 1.00 29.31 C ATOM 914 O LEU A 144 9.656 -3.397 4.244 1.00 28.08 O ATOM 915 CB LEU A 144 8.831 -6.462 4.992 1.00 31.36 C ATOM 916 CG LEU A 144 8.529 -5.654 6.261 1.00 32.25 C ATOM 917 CD1 LEU A 144 7.201 -4.934 6.118 1.00 34.08 C ATOM 918 CD2 LEU A 144 8.492 -6.558 7.485 1.00 34.49 C ATOM 0 H LEU A 144 9.407 -7.294 2.754 1.00 30.59 H new ATOM 0 HA LEU A 144 8.082 -5.182 3.561 1.00 29.59 H new ATOM 0 HB2 LEU A 144 8.136 -7.128 4.873 1.00 31.36 H new ATOM 0 HB3 LEU A 144 9.665 -6.942 5.118 1.00 31.36 H new ATOM 0 HG LEU A 144 9.238 -5.002 6.379 1.00 32.25 H new ATOM 0 HD11 LEU A 144 7.019 -4.427 6.924 1.00 34.08 H new ATOM 0 HD12 LEU A 144 7.240 -4.331 5.359 1.00 34.08 H new ATOM 0 HD13 LEU A 144 6.494 -5.583 5.979 1.00 34.08 H new ATOM 0 HD21 LEU A 144 8.300 -6.027 8.274 1.00 34.49 H new ATOM 0 HD22 LEU A 144 7.801 -7.229 7.371 1.00 34.49 H new ATOM 0 HD23 LEU A 144 9.352 -6.995 7.591 1.00 34.49 H new ATOM 919 N MET A 145 11.246 -4.805 3.540 1.00 31.42 N ATOM 920 CA MET A 145 12.316 -3.766 3.655 1.00 30.70 C ATOM 921 C MET A 145 12.038 -2.598 2.660 1.00 30.83 C ATOM 922 O MET A 145 12.063 -1.398 3.038 1.00 26.87 O ATOM 923 CB MET A 145 13.695 -4.373 3.399 1.00 28.29 C ATOM 924 CG MET A 145 14.881 -3.476 3.715 1.00 29.19 C ATOM 925 SD MET A 145 14.948 -2.999 5.435 1.00 27.72 S ATOM 926 CE MET A 145 16.053 -4.229 6.096 1.00 27.11 C ATOM 0 H MET A 145 11.515 -5.573 3.263 1.00 31.42 H new ATOM 0 HA MET A 145 12.307 -3.415 4.559 1.00 30.70 H new ATOM 0 HB2 MET A 145 13.775 -5.184 3.925 1.00 28.29 H new ATOM 0 HB3 MET A 145 13.747 -4.633 2.466 1.00 28.29 H new ATOM 0 HG2 MET A 145 15.702 -3.936 3.479 1.00 29.19 H new ATOM 0 HG3 MET A 145 14.834 -2.679 3.164 1.00 29.19 H new ATOM 0 HE1 MET A 145 16.175 -4.077 7.046 1.00 27.11 H new ATOM 0 HE2 MET A 145 15.676 -5.112 5.956 1.00 27.11 H new ATOM 0 HE3 MET A 145 16.910 -4.169 5.646 1.00 27.11 H new ATOM 927 N GLN A 146 11.780 -2.975 1.420 1.00 28.62 N ATOM 928 CA GLN A 146 11.480 -1.996 0.365 1.00 33.70 C ATOM 929 C GLN A 146 10.320 -1.061 0.737 1.00 31.97 C ATOM 930 O GLN A 146 10.424 0.148 0.633 1.00 34.74 O ATOM 931 CB GLN A 146 11.184 -2.689 -0.967 1.00 31.69 C ATOM 932 CG GLN A 146 11.054 -1.732 -2.162 1.00 34.67 C ATOM 933 CD GLN A 146 12.179 -0.677 -2.271 1.00 37.87 C ATOM 934 OE1 GLN A 146 13.162 -0.863 -3.019 1.00 31.59 O ATOM 935 NE2 GLN A 146 12.046 0.432 -1.508 1.00 34.87 N ATOM 0 H GLN A 146 11.771 -3.794 1.158 1.00 28.62 H new ATOM 0 HA GLN A 146 12.276 -1.451 0.269 1.00 33.70 H new ATOM 0 HB2 GLN A 146 11.891 -3.327 -1.152 1.00 31.69 H new ATOM 0 HB3 GLN A 146 10.361 -3.195 -0.880 1.00 31.69 H new ATOM 0 HG2 GLN A 146 11.037 -2.255 -2.979 1.00 34.67 H new ATOM 0 HG3 GLN A 146 10.202 -1.273 -2.102 1.00 34.67 H new ATOM 0 HE21 GLN A 146 11.355 0.527 -1.004 1.00 34.87 H new ATOM 0 HE22 GLN A 146 12.652 1.042 -1.527 1.00 34.87 H new ATOM 936 N LYS A 147 9.260 -1.597 1.273 1.00 31.46 N ATOM 937 CA LYS A 147 8.130 -0.763 1.547 1.00 38.70 C ATOM 938 C LYS A 147 8.331 0.116 2.829 1.00 36.91 C ATOM 939 O LYS A 147 7.781 1.229 2.956 1.00 39.57 O ATOM 940 CB LYS A 147 6.875 -1.642 1.500 1.00 47.28 C ATOM 941 CG LYS A 147 6.076 -1.773 2.762 1.00 57.07 C ATOM 942 CD LYS A 147 4.746 -0.992 2.677 1.00 64.82 C ATOM 943 CE LYS A 147 4.460 -0.169 3.933 1.00 69.45 C ATOM 944 NZ LYS A 147 5.048 -0.800 5.171 1.00 63.73 N ATOM 0 H LYS A 147 9.173 -2.426 1.483 1.00 31.46 H new ATOM 0 HA LYS A 147 8.016 -0.082 0.866 1.00 38.70 H new ATOM 0 HB2 LYS A 147 6.290 -1.292 0.810 1.00 47.28 H new ATOM 0 HB3 LYS A 147 7.143 -2.532 1.221 1.00 47.28 H new ATOM 0 HG2 LYS A 147 5.892 -2.710 2.933 1.00 57.07 H new ATOM 0 HG3 LYS A 147 6.597 -1.445 3.511 1.00 57.07 H new ATOM 0 HD2 LYS A 147 4.771 -0.402 1.908 1.00 64.82 H new ATOM 0 HD3 LYS A 147 4.018 -1.616 2.532 1.00 64.82 H new ATOM 0 HE2 LYS A 147 4.823 0.724 3.823 1.00 69.45 H new ATOM 0 HE3 LYS A 147 3.501 -0.074 4.044 1.00 69.45 H new ATOM 0 HZ1 LYS A 147 4.572 -0.558 5.883 1.00 63.73 H new ATOM 0 HZ2 LYS A 147 5.030 -1.686 5.090 1.00 63.73 H new ATOM 0 HZ3 LYS A 147 5.890 -0.529 5.272 1.00 63.73 H new ATOM 945 N GLU A 148 9.160 -0.348 3.752 1.00 30.08 N ATOM 946 CA GLU A 148 9.471 0.435 4.922 1.00 29.00 C ATOM 947 C GLU A 148 10.400 1.571 4.547 1.00 26.50 C ATOM 948 O GLU A 148 10.248 2.659 5.045 1.00 25.05 O ATOM 949 CB GLU A 148 10.097 -0.421 6.053 1.00 34.73 C ATOM 950 CG GLU A 148 9.133 -1.397 6.745 1.00 37.17 C ATOM 951 CD GLU A 148 8.016 -0.699 7.521 1.00 41.88 C ATOM 952 OE1 GLU A 148 8.107 -0.489 8.775 1.00 42.54 O ATOM 953 OE2 GLU A 148 7.015 -0.356 6.852 1.00 44.42 O ATOM 0 H GLU A 148 9.550 -1.114 3.715 1.00 30.08 H new ATOM 0 HA GLU A 148 8.638 0.794 5.265 1.00 29.00 H new ATOM 0 HB2 GLU A 148 10.837 -0.927 5.684 1.00 34.73 H new ATOM 0 HB3 GLU A 148 10.467 0.175 6.723 1.00 34.73 H new ATOM 0 HG2 GLU A 148 8.739 -1.980 6.077 1.00 37.17 H new ATOM 0 HG3 GLU A 148 9.636 -1.962 7.353 1.00 37.17 H new ATOM 954 N VAL A 149 11.342 1.316 3.650 1.00 25.96 N ATOM 955 CA VAL A 149 12.239 2.337 3.219 1.00 27.17 C ATOM 956 C VAL A 149 11.455 3.398 2.383 1.00 28.02 C ATOM 957 O VAL A 149 11.714 4.550 2.563 1.00 28.82 O ATOM 958 CB VAL A 149 13.475 1.702 2.491 1.00 26.67 C ATOM 959 CG1 VAL A 149 14.305 2.729 1.796 1.00 26.83 C ATOM 960 CG2 VAL A 149 14.353 0.963 3.478 1.00 27.46 C ATOM 0 H VAL A 149 11.468 0.548 3.284 1.00 25.96 H new ATOM 0 HA VAL A 149 12.612 2.816 3.976 1.00 27.17 H new ATOM 0 HB VAL A 149 13.121 1.087 1.830 1.00 26.67 H new ATOM 0 HG11 VAL A 149 15.056 2.297 1.360 1.00 26.83 H new ATOM 0 HG12 VAL A 149 13.765 3.186 1.132 1.00 26.83 H new ATOM 0 HG13 VAL A 149 14.634 3.372 2.444 1.00 26.83 H new ATOM 0 HG21 VAL A 149 15.111 0.577 3.012 1.00 27.46 H new ATOM 0 HG22 VAL A 149 14.671 1.581 4.155 1.00 27.46 H new ATOM 0 HG23 VAL A 149 13.841 0.256 3.901 1.00 27.46 H new ATOM 961 N LYS A 150 10.490 3.019 1.541 1.00 29.40 N ATOM 962 CA LYS A 150 9.535 3.996 0.894 1.00 32.48 C ATOM 963 C LYS A 150 8.785 4.754 1.926 1.00 29.50 C ATOM 964 O LYS A 150 8.693 5.952 1.871 1.00 32.39 O ATOM 965 CB LYS A 150 8.425 3.274 0.060 1.00 41.99 C ATOM 966 CG LYS A 150 8.392 3.483 -1.450 1.00 46.32 C ATOM 967 CD LYS A 150 9.781 3.290 -2.030 1.00 57.77 C ATOM 968 CE LYS A 150 9.819 2.658 -3.431 1.00 66.37 C ATOM 969 NZ LYS A 150 11.206 2.756 -4.010 1.00 66.58 N ATOM 0 H LYS A 150 10.354 2.200 1.317 1.00 29.40 H new ATOM 0 HA LYS A 150 10.088 4.562 0.334 1.00 32.48 H new ATOM 0 HB2 LYS A 150 8.507 2.321 0.223 1.00 41.99 H new ATOM 0 HB3 LYS A 150 7.565 3.550 0.414 1.00 41.99 H new ATOM 0 HG2 LYS A 150 7.773 2.857 -1.857 1.00 46.32 H new ATOM 0 HG3 LYS A 150 8.069 4.375 -1.654 1.00 46.32 H new ATOM 0 HD2 LYS A 150 10.224 4.152 -2.067 1.00 57.77 H new ATOM 0 HD3 LYS A 150 10.295 2.733 -1.425 1.00 57.77 H new ATOM 0 HE2 LYS A 150 9.547 1.728 -3.381 1.00 66.37 H new ATOM 0 HE3 LYS A 150 9.186 3.107 -4.013 1.00 66.37 H new ATOM 0 HZ1 LYS A 150 11.339 2.085 -4.579 1.00 66.58 H new ATOM 0 HZ2 LYS A 150 11.295 3.530 -4.440 1.00 66.58 H new ATOM 0 HZ3 LYS A 150 11.806 2.711 -3.354 1.00 66.58 H new ATOM 970 N ARG A 151 8.207 4.070 2.891 1.00 30.29 N ATOM 971 CA ARG A 151 7.285 4.765 3.784 1.00 32.04 C ATOM 972 C ARG A 151 8.042 5.870 4.497 1.00 33.26 C ATOM 973 O ARG A 151 7.517 6.936 4.819 1.00 37.38 O ATOM 974 CB ARG A 151 6.717 3.742 4.779 1.00 36.55 C ATOM 975 CG ARG A 151 5.507 4.205 5.564 1.00 37.92 C ATOM 976 CD ARG A 151 4.837 3.049 6.326 1.00 41.65 C ATOM 977 NE ARG A 151 5.768 2.305 7.246 1.00 43.10 N ATOM 978 CZ ARG A 151 6.189 2.722 8.443 1.00 41.36 C ATOM 979 NH1 ARG A 151 5.839 3.913 8.913 1.00 41.27 N ATOM 980 NH2 ARG A 151 7.029 1.975 9.169 1.00 43.97 N ATOM 0 H ARG A 151 8.324 3.233 3.049 1.00 30.29 H new ATOM 0 HA ARG A 151 6.549 5.165 3.295 1.00 32.04 H new ATOM 0 HB2 ARG A 151 6.480 2.937 4.292 1.00 36.55 H new ATOM 0 HB3 ARG A 151 7.417 3.499 5.405 1.00 36.55 H new ATOM 0 HG2 ARG A 151 5.775 4.893 6.193 1.00 37.92 H new ATOM 0 HG3 ARG A 151 4.865 4.608 4.959 1.00 37.92 H new ATOM 0 HD2 ARG A 151 4.097 3.401 6.845 1.00 41.65 H new ATOM 0 HD3 ARG A 151 4.463 2.425 5.685 1.00 41.65 H new ATOM 0 HE ARG A 151 6.055 1.541 6.976 1.00 43.10 H new ATOM 0 HH11 ARG A 151 5.334 4.428 8.445 1.00 41.27 H new ATOM 0 HH12 ARG A 151 6.117 4.169 9.685 1.00 41.27 H new ATOM 0 HH21 ARG A 151 7.303 1.218 8.866 1.00 43.97 H new ATOM 0 HH22 ARG A 151 7.295 2.252 9.939 1.00 43.97 H new ATOM 981 N VAL A 152 9.296 5.569 4.807 1.00 28.98 N ATOM 982 CA VAL A 152 10.090 6.447 5.577 1.00 30.81 C ATOM 983 C VAL A 152 10.713 7.438 4.606 1.00 29.72 C ATOM 984 O VAL A 152 11.180 8.443 5.026 1.00 26.90 O ATOM 985 CB VAL A 152 11.207 5.672 6.328 1.00 31.83 C ATOM 986 CG1 VAL A 152 12.216 6.616 6.953 1.00 32.66 C ATOM 987 CG2 VAL A 152 10.600 4.823 7.409 1.00 35.16 C ATOM 0 H VAL A 152 9.692 4.845 4.567 1.00 28.98 H new ATOM 0 HA VAL A 152 9.549 6.895 6.246 1.00 30.81 H new ATOM 0 HB VAL A 152 11.665 5.115 5.679 1.00 31.83 H new ATOM 0 HG11 VAL A 152 12.898 6.102 7.413 1.00 32.66 H new ATOM 0 HG12 VAL A 152 12.629 7.154 6.259 1.00 32.66 H new ATOM 0 HG13 VAL A 152 11.767 7.197 7.587 1.00 32.66 H new ATOM 0 HG21 VAL A 152 11.301 4.341 7.875 1.00 35.16 H new ATOM 0 HG22 VAL A 152 10.125 5.389 8.037 1.00 35.16 H new ATOM 0 HG23 VAL A 152 9.981 4.189 7.014 1.00 35.16 H new ATOM 988 N ASN A 153 10.739 7.134 3.307 1.00 30.41 N ATOM 989 CA AASN A 153 11.397 7.972 2.257 0.50 28.94 C ATOM 990 CA BASN A 153 11.356 8.092 2.379 0.50 29.24 C ATOM 991 C ASN A 153 12.840 8.333 2.679 1.00 27.49 C ATOM 992 O ASN A 153 13.222 9.468 2.840 1.00 27.11 O ATOM 993 CB AASN A 153 10.527 9.201 1.811 0.50 25.78 C ATOM 994 CB BASN A 153 10.625 9.466 2.481 0.50 25.55 C ATOM 995 CG AASN A 153 9.366 8.810 0.820 0.50 24.67 C ATOM 996 CG BASN A 153 11.070 10.416 1.423 0.50 24.97 C ATOM 997 OD1AASN A 153 9.595 8.212 -0.267 0.50 21.26 O ATOM 998 OD1BASN A 153 11.638 9.978 0.424 0.50 24.38 O ATOM 999 ND2AASN A 153 8.126 9.191 1.177 0.50 20.64 N ATOM 1000 ND2BASN A 153 10.812 11.720 1.606 0.50 24.78 N ATOM 0 H AASN A 153 10.371 6.424 2.991 0.50 30.41 H new ATOM 0 H BASN A 153 10.423 6.417 2.953 0.50 30.41 H new ATOM 0 HA AASN A 153 11.468 7.439 1.450 0.50 29.24 H new ATOM 0 HA BASN A 153 11.277 7.708 1.492 0.50 29.24 H new ATOM 0 HB2AASN A 153 10.146 9.623 2.597 0.50 25.55 H new ATOM 0 HB2BASN A 153 9.668 9.328 2.409 0.50 25.55 H new ATOM 0 HB3AASN A 153 11.100 9.859 1.386 0.50 25.55 H new ATOM 0 HB3BASN A 153 10.790 9.855 3.354 0.50 25.55 H new ATOM 0 HD21AASN A 153 7.460 9.028 0.658 0.50 24.78 H new ATOM 0 HD21BASN A 153 11.047 12.293 1.009 0.50 24.78 H new ATOM 0 HD22AASN A 153 7.999 9.597 1.924 0.50 24.78 H new ATOM 0 HD22BASN A 153 10.412 11.983 2.320 0.50 24.78 H new ATOM 1001 N PHE A 154 13.657 7.297 2.801 1.00 27.47 N ATOM 1002 CA PHE A 154 15.083 7.459 3.179 1.00 23.97 C ATOM 1003 C PHE A 154 15.934 7.476 1.930 1.00 26.77 C ATOM 1004 O PHE A 154 15.890 6.501 1.123 1.00 25.47 O ATOM 1005 CB PHE A 154 15.453 6.298 4.065 1.00 21.82 C ATOM 1006 CG PHE A 154 16.861 6.275 4.552 1.00 18.01 C ATOM 1007 CD1 PHE A 154 17.876 5.657 3.804 1.00 18.63 C ATOM 1008 CD2 PHE A 154 17.176 6.763 5.797 1.00 18.48 C ATOM 1009 CE1 PHE A 154 19.181 5.606 4.303 1.00 19.12 C ATOM 1010 CE2 PHE A 154 18.515 6.731 6.316 1.00 17.08 C ATOM 1011 CZ PHE A 154 19.502 6.163 5.574 1.00 17.12 C ATOM 0 H PHE A 154 13.417 6.481 2.671 1.00 27.47 H new ATOM 0 HA PHE A 154 15.229 8.293 3.652 1.00 23.97 H new ATOM 0 HB2 PHE A 154 14.863 6.300 4.835 1.00 21.82 H new ATOM 0 HB3 PHE A 154 15.283 5.476 3.579 1.00 21.82 H new ATOM 0 HD1 PHE A 154 17.680 5.281 2.976 1.00 18.63 H new ATOM 0 HD2 PHE A 154 16.499 7.126 6.322 1.00 18.48 H new ATOM 0 HE1 PHE A 154 19.849 5.202 3.798 1.00 19.12 H new ATOM 0 HE2 PHE A 154 18.705 7.095 7.151 1.00 17.08 H new ATOM 0 HZ PHE A 154 20.376 6.138 5.892 1.00 17.12 H new ATOM 1012 N GLY A 155 16.694 8.562 1.765 1.00 24.09 N ATOM 1013 CA GLY A 155 17.571 8.739 0.598 1.00 25.18 C ATOM 1014 C GLY A 155 16.882 8.624 -0.753 1.00 24.89 C ATOM 1015 O GLY A 155 15.793 9.131 -0.933 1.00 24.78 O ATOM 0 H GLY A 155 16.717 9.216 2.323 1.00 24.09 H new ATOM 0 HA2 GLY A 155 17.992 9.611 0.657 1.00 25.18 H new ATOM 0 HA3 GLY A 155 18.280 8.078 0.641 1.00 25.18 H new ATOM 1016 N ASN A 156 17.474 7.889 -1.694 1.00 26.32 N ATOM 1017 CA ASN A 156 16.801 7.659 -2.959 1.00 26.80 C ATOM 1018 C ASN A 156 15.739 6.526 -2.862 1.00 28.04 C ATOM 1019 O ASN A 156 15.152 6.155 -3.873 1.00 27.30 O ATOM 1020 CB ASN A 156 17.822 7.386 -4.088 1.00 27.01 C ATOM 1021 CG ASN A 156 18.493 6.044 -3.950 1.00 27.29 C ATOM 1022 OD1 ASN A 156 18.217 5.312 -2.997 1.00 28.46 O ATOM 1023 ND2 ASN A 156 19.367 5.692 -4.904 1.00 25.77 N ATOM 0 H ASN A 156 18.249 7.524 -1.618 1.00 26.32 H new ATOM 0 HA ASN A 156 16.320 8.472 -3.181 1.00 26.80 H new ATOM 0 HB2 ASN A 156 17.371 7.432 -4.945 1.00 27.01 H new ATOM 0 HB3 ASN A 156 18.497 8.083 -4.085 1.00 27.01 H new ATOM 0 HD21 ASN A 156 19.761 4.928 -4.866 1.00 25.77 H new ATOM 0 HD22 ASN A 156 19.534 6.230 -5.554 1.00 25.77 H new ATOM 1024 N THR A 157 15.573 5.957 -1.664 1.00 28.72 N ATOM 1025 CA THR A 157 14.544 4.960 -1.341 1.00 30.16 C ATOM 1026 C THR A 157 14.666 3.640 -2.084 1.00 28.53 C ATOM 1027 O THR A 157 13.770 2.820 -2.004 1.00 28.22 O ATOM 1028 CB THR A 157 13.084 5.460 -1.607 1.00 33.35 C ATOM 1029 OG1 THR A 157 12.877 5.513 -3.004 1.00 37.66 O ATOM 1030 CG2 THR A 157 12.774 6.802 -0.978 1.00 33.81 C ATOM 0 H THR A 157 16.075 6.148 -0.992 1.00 28.72 H new ATOM 0 HA THR A 157 14.707 4.821 -0.395 1.00 30.16 H new ATOM 0 HB THR A 157 12.478 4.830 -1.187 1.00 33.35 H new ATOM 0 HG1 THR A 157 13.597 5.342 -3.401 1.00 37.66 H new ATOM 0 HG21 THR A 157 11.859 7.051 -1.181 1.00 33.81 H new ATOM 0 HG22 THR A 157 12.887 6.743 -0.016 1.00 33.81 H new ATOM 0 HG23 THR A 157 13.377 7.473 -1.333 1.00 33.81 H new ATOM 1031 N ASN A 158 15.753 3.414 -2.807 1.00 29.44 N ATOM 1032 CA ASN A 158 15.859 2.207 -3.611 1.00 29.96 C ATOM 1033 C ASN A 158 16.794 1.113 -3.058 1.00 27.66 C ATOM 1034 O ASN A 158 17.996 1.308 -2.971 1.00 27.75 O ATOM 1035 CB ASN A 158 16.350 2.598 -5.003 1.00 32.28 C ATOM 1036 CG ASN A 158 16.368 1.416 -5.942 1.00 38.45 C ATOM 1037 OD1 ASN A 158 15.590 0.454 -5.782 1.00 39.09 O ATOM 1038 ND2 ASN A 158 17.242 1.465 -6.921 1.00 42.08 N ATOM 0 H ASN A 158 16.433 3.939 -2.846 1.00 29.44 H new ATOM 0 HA ASN A 158 14.971 1.816 -3.611 1.00 29.96 H new ATOM 0 HB2 ASN A 158 15.776 3.291 -5.366 1.00 32.28 H new ATOM 0 HB3 ASN A 158 17.242 2.973 -4.938 1.00 32.28 H new ATOM 0 HD21 ASN A 158 17.294 0.817 -7.484 1.00 42.08 H new ATOM 0 HD22 ASN A 158 17.762 2.145 -6.999 1.00 42.08 H new ATOM 1039 N ILE A 159 16.283 -0.072 -2.766 1.00 30.18 N ATOM 1040 CA ILE A 159 17.160 -1.111 -2.232 1.00 29.42 C ATOM 1041 C ILE A 159 17.530 -2.250 -3.188 1.00 30.40 C ATOM 1042 O ILE A 159 18.299 -3.170 -2.813 1.00 29.57 O ATOM 1043 CB ILE A 159 16.597 -1.642 -0.928 1.00 32.37 C ATOM 1044 CG1 ILE A 159 15.358 -2.467 -1.170 1.00 35.22 C ATOM 1045 CG2 ILE A 159 16.334 -0.498 0.040 1.00 30.37 C ATOM 1046 CD1 ILE A 159 14.968 -3.322 0.020 1.00 37.99 C ATOM 0 H ILE A 159 15.458 -0.295 -2.864 1.00 30.18 H new ATOM 0 HA ILE A 159 18.009 -0.667 -2.081 1.00 29.42 H new ATOM 0 HB ILE A 159 17.255 -2.228 -0.522 1.00 32.37 H new ATOM 0 HG12 ILE A 159 14.621 -1.876 -1.392 1.00 35.22 H new ATOM 0 HG13 ILE A 159 15.503 -3.040 -1.939 1.00 35.22 H new ATOM 0 HG21 ILE A 159 15.975 -0.851 0.869 1.00 30.37 H new ATOM 0 HG22 ILE A 159 17.164 -0.030 0.221 1.00 30.37 H new ATOM 0 HG23 ILE A 159 15.695 0.118 -0.352 1.00 30.37 H new ATOM 0 HD11 ILE A 159 14.168 -3.828 -0.193 1.00 37.99 H new ATOM 0 HD12 ILE A 159 15.691 -3.934 0.230 1.00 37.99 H new ATOM 0 HD13 ILE A 159 14.795 -2.752 0.786 1.00 37.99 H new ATOM 1047 N GLY A 160 17.018 -2.184 -4.430 1.00 35.26 N ATOM 1048 CA GLY A 160 17.337 -3.188 -5.479 1.00 33.41 C ATOM 1049 C GLY A 160 16.838 -4.577 -5.081 1.00 31.18 C ATOM 1050 O GLY A 160 15.782 -4.676 -4.490 1.00 29.41 O ATOM 0 H GLY A 160 16.481 -1.564 -4.690 1.00 35.26 H new ATOM 0 HA2 GLY A 160 16.930 -2.923 -6.319 1.00 33.41 H new ATOM 0 HA3 GLY A 160 18.296 -3.215 -5.624 1.00 33.41 H new ATOM 1051 N THR A 161 17.642 -5.615 -5.319 1.00 29.32 N ATOM 1052 CA THR A 161 17.185 -6.987 -5.203 1.00 30.78 C ATOM 1053 C THR A 161 17.841 -7.829 -4.082 1.00 31.33 C ATOM 1054 O THR A 161 17.450 -8.981 -3.863 1.00 30.27 O ATOM 1055 CB THR A 161 17.478 -7.757 -6.518 1.00 32.41 C ATOM 1056 OG1 THR A 161 18.877 -7.651 -6.849 1.00 34.07 O ATOM 1057 CG2 THR A 161 16.583 -7.278 -7.666 1.00 31.72 C ATOM 0 H THR A 161 18.466 -5.537 -5.552 1.00 29.32 H new ATOM 0 HA THR A 161 16.242 -6.891 -4.996 1.00 30.78 H new ATOM 0 HB THR A 161 17.268 -8.694 -6.379 1.00 32.41 H new ATOM 0 HG1 THR A 161 19.029 -8.071 -7.560 1.00 34.07 H new ATOM 0 HG21 THR A 161 16.792 -7.779 -8.470 1.00 31.72 H new ATOM 0 HG22 THR A 161 15.652 -7.418 -7.431 1.00 31.72 H new ATOM 0 HG23 THR A 161 16.737 -6.334 -7.824 1.00 31.72 H new ATOM 1058 N GLN A 162 18.879 -7.306 -3.440 1.00 32.34 N ATOM 1059 CA GLN A 162 19.670 -8.054 -2.468 1.00 32.10 C ATOM 1060 C GLN A 162 19.400 -7.426 -1.134 1.00 29.48 C ATOM 1061 O GLN A 162 19.969 -6.369 -0.799 1.00 22.31 O ATOM 1062 CB GLN A 162 21.164 -7.946 -2.761 1.00 40.38 C ATOM 1063 CG GLN A 162 21.580 -8.316 -4.166 1.00 48.81 C ATOM 1064 CD GLN A 162 21.187 -9.752 -4.521 1.00 55.70 C ATOM 1065 OE1 GLN A 162 21.455 -10.699 -3.760 1.00 49.93 O ATOM 1066 NE2 GLN A 162 20.496 -9.912 -5.662 1.00 58.34 N ATOM 0 H GLN A 162 19.148 -6.498 -3.557 1.00 32.34 H new ATOM 0 HA GLN A 162 19.429 -8.993 -2.498 1.00 32.10 H new ATOM 0 HB2 GLN A 162 21.447 -7.035 -2.586 1.00 40.38 H new ATOM 0 HB3 GLN A 162 21.642 -8.516 -2.138 1.00 40.38 H new ATOM 0 HG2 GLN A 162 21.169 -7.704 -4.796 1.00 48.81 H new ATOM 0 HG3 GLN A 162 22.540 -8.213 -4.256 1.00 48.81 H new ATOM 0 HE21 GLN A 162 20.330 -9.233 -6.163 1.00 58.34 H new ATOM 0 HE22 GLN A 162 20.220 -10.693 -5.891 1.00 58.34 H new ATOM 1067 N VAL A 163 18.530 -8.067 -0.361 1.00 28.17 N ATOM 1068 CA VAL A 163 18.116 -7.533 0.930 1.00 27.47 C ATOM 1069 C VAL A 163 19.283 -7.400 1.954 1.00 25.57 C ATOM 1070 O VAL A 163 19.187 -6.640 2.906 1.00 28.04 O ATOM 1071 CB VAL A 163 16.925 -8.372 1.503 1.00 28.32 C ATOM 1072 CG1 VAL A 163 17.411 -9.709 2.072 1.00 28.74 C ATOM 1073 CG2 VAL A 163 16.154 -7.575 2.517 1.00 27.44 C ATOM 0 H VAL A 163 18.166 -8.818 -0.568 1.00 28.17 H new ATOM 0 HA VAL A 163 17.813 -6.624 0.777 1.00 27.47 H new ATOM 0 HB VAL A 163 16.320 -8.580 0.774 1.00 28.32 H new ATOM 0 HG11 VAL A 163 16.655 -10.207 2.419 1.00 28.74 H new ATOM 0 HG12 VAL A 163 17.841 -10.222 1.370 1.00 28.74 H new ATOM 0 HG13 VAL A 163 18.045 -9.545 2.787 1.00 28.74 H new ATOM 0 HG21 VAL A 163 15.421 -8.110 2.860 1.00 27.44 H new ATOM 0 HG22 VAL A 163 16.742 -7.325 3.247 1.00 27.44 H new ATOM 0 HG23 VAL A 163 15.801 -6.774 2.099 1.00 27.44 H new ATOM 1074 N ASP A 164 20.417 -8.032 1.737 1.00 24.75 N ATOM 1075 CA ASP A 164 21.429 -8.074 2.770 1.00 26.52 C ATOM 1076 C ASP A 164 22.700 -7.289 2.548 1.00 27.18 C ATOM 1077 O ASP A 164 23.659 -7.417 3.336 1.00 28.23 O ATOM 1078 CB ASP A 164 21.739 -9.543 3.086 1.00 30.77 C ATOM 1079 CG ASP A 164 22.366 -10.252 1.923 1.00 38.10 C ATOM 1080 OD1 ASP A 164 22.690 -9.588 0.907 1.00 34.76 O ATOM 1081 OD2 ASP A 164 22.517 -11.482 2.035 1.00 46.89 O ATOM 0 H ASP A 164 20.621 -8.439 1.007 1.00 24.75 H new ATOM 0 HA ASP A 164 21.034 -7.605 3.522 1.00 26.52 H new ATOM 0 HB2 ASP A 164 22.335 -9.589 3.850 1.00 30.77 H new ATOM 0 HB3 ASP A 164 20.920 -9.998 3.337 1.00 30.77 H new ATOM 1082 N ASN A 165 22.734 -6.453 1.510 1.00 26.13 N ATOM 1083 CA ASN A 165 23.885 -5.581 1.297 1.00 25.93 C ATOM 1084 C ASN A 165 23.658 -4.255 0.564 1.00 23.67 C ATOM 1085 O ASN A 165 24.628 -3.607 0.217 1.00 25.68 O ATOM 1086 CB ASN A 165 24.909 -6.351 0.516 1.00 27.52 C ATOM 1087 CG ASN A 165 24.504 -6.515 -0.945 1.00 30.62 C ATOM 1088 OD1 ASN A 165 23.469 -6.004 -1.440 1.00 33.99 O ATOM 1089 ND2 ASN A 165 25.330 -7.200 -1.644 1.00 32.34 N ATOM 0 H ASN A 165 22.108 -6.377 0.925 1.00 26.13 H new ATOM 0 HA ASN A 165 24.152 -5.324 2.193 1.00 25.93 H new ATOM 0 HB2 ASN A 165 25.763 -5.894 0.565 1.00 27.52 H new ATOM 0 HB3 ASN A 165 25.031 -7.225 0.918 1.00 27.52 H new ATOM 0 HD21 ASN A 165 25.185 -7.323 -2.483 1.00 32.34 H new ATOM 0 HD22 ASN A 165 26.030 -7.537 -1.275 1.00 32.34 H new ATOM 1090 N PHE A 166 22.407 -3.874 0.374 1.00 21.75 N ATOM 1091 CA PHE A 166 22.004 -2.721 -0.409 1.00 22.92 C ATOM 1092 C PHE A 166 22.402 -1.386 0.198 1.00 25.18 C ATOM 1093 O PHE A 166 22.603 -0.397 -0.543 1.00 24.73 O ATOM 1094 CB PHE A 166 20.497 -2.750 -0.622 1.00 22.05 C ATOM 1095 CG PHE A 166 19.691 -2.623 0.647 1.00 23.63 C ATOM 1096 CD1 PHE A 166 19.444 -1.372 1.203 1.00 23.44 C ATOM 1097 CD2 PHE A 166 19.128 -3.724 1.240 1.00 25.11 C ATOM 1098 CE1 PHE A 166 18.684 -1.210 2.343 1.00 21.87 C ATOM 1099 CE2 PHE A 166 18.370 -3.577 2.391 1.00 27.02 C ATOM 1100 CZ PHE A 166 18.146 -2.294 2.943 1.00 24.22 C ATOM 0 H PHE A 166 21.740 -4.299 0.713 1.00 21.75 H new ATOM 0 HA PHE A 166 22.479 -2.789 -1.252 1.00 22.92 H new ATOM 0 HB2 PHE A 166 20.251 -2.029 -1.223 1.00 22.05 H new ATOM 0 HB3 PHE A 166 20.259 -3.580 -1.063 1.00 22.05 H new ATOM 0 HD1 PHE A 166 19.803 -0.619 0.792 1.00 23.44 H new ATOM 0 HD2 PHE A 166 19.255 -4.568 0.870 1.00 25.11 H new ATOM 0 HE1 PHE A 166 18.543 -0.361 2.696 1.00 21.87 H new ATOM 0 HE2 PHE A 166 18.006 -4.327 2.803 1.00 27.02 H new ATOM 0 HZ PHE A 166 17.633 -2.198 3.712 1.00 24.22 H new ATOM 1101 N TRP A 167 22.592 -1.396 1.526 1.00 24.06 N ATOM 1102 CA TRP A 167 23.172 -0.261 2.241 1.00 23.24 C ATOM 1103 C TRP A 167 24.691 -0.160 2.176 1.00 25.67 C ATOM 1104 O TRP A 167 25.247 0.910 2.443 1.00 26.83 O ATOM 1105 CB TRP A 167 22.716 -0.222 3.691 1.00 21.75 C ATOM 1106 CG TRP A 167 23.194 -1.308 4.554 1.00 20.67 C ATOM 1107 CD1 TRP A 167 24.206 -1.251 5.382 1.00 20.13 C ATOM 1108 CD2 TRP A 167 22.597 -2.597 4.728 1.00 22.33 C ATOM 1109 NE1 TRP A 167 24.368 -2.425 6.030 1.00 22.00 N ATOM 1110 CE2 TRP A 167 23.356 -3.270 5.672 1.00 23.49 C ATOM 1111 CE3 TRP A 167 21.515 -3.255 4.147 1.00 23.81 C ATOM 1112 CZ2 TRP A 167 23.078 -4.586 6.066 1.00 22.21 C ATOM 1113 CZ3 TRP A 167 21.232 -4.550 4.545 1.00 23.75 C ATOM 1114 CH2 TRP A 167 21.992 -5.180 5.512 1.00 23.73 C ATOM 0 H TRP A 167 22.387 -2.061 2.031 1.00 24.06 H new ATOM 0 HA TRP A 167 22.833 0.513 1.764 1.00 23.24 H new ATOM 0 HB2 TRP A 167 23.001 0.621 4.077 1.00 21.75 H new ATOM 0 HB3 TRP A 167 21.746 -0.227 3.705 1.00 21.75 H new ATOM 0 HD1 TRP A 167 24.742 -0.502 5.508 1.00 20.13 H new ATOM 0 HE1 TRP A 167 25.004 -2.610 6.578 1.00 22.00 H new ATOM 0 HE3 TRP A 167 20.993 -2.832 3.504 1.00 23.81 H new ATOM 0 HZ2 TRP A 167 23.615 -5.032 6.680 1.00 22.21 H new ATOM 0 HZ3 TRP A 167 20.519 -5.003 4.156 1.00 23.75 H new ATOM 0 HH2 TRP A 167 21.752 -6.034 5.790 1.00 23.73 H new ATOM 1115 N LEU A 168 25.353 -1.234 1.789 1.00 27.00 N ATOM 1116 CA LEU A 168 26.815 -1.265 1.715 1.00 31.21 C ATOM 1117 C LEU A 168 27.334 -1.134 0.312 1.00 30.18 C ATOM 1118 O LEU A 168 28.347 -0.558 0.144 1.00 36.56 O ATOM 1119 CB LEU A 168 27.370 -2.564 2.289 1.00 33.76 C ATOM 1120 CG LEU A 168 26.937 -2.790 3.748 1.00 34.72 C ATOM 1121 CD1 LEU A 168 26.853 -4.248 4.116 1.00 36.19 C ATOM 1122 CD2 LEU A 168 27.839 -2.015 4.689 1.00 37.66 C ATOM 0 H LEU A 168 24.974 -1.971 1.560 1.00 27.00 H new ATOM 0 HA LEU A 168 27.111 -0.502 2.236 1.00 31.21 H new ATOM 0 HB2 LEU A 168 27.070 -3.309 1.746 1.00 33.76 H new ATOM 0 HB3 LEU A 168 28.339 -2.549 2.240 1.00 33.76 H new ATOM 0 HG LEU A 168 26.034 -2.449 3.840 1.00 34.72 H new ATOM 0 HD11 LEU A 168 26.577 -4.333 5.042 1.00 36.19 H new ATOM 0 HD12 LEU A 168 26.205 -4.689 3.544 1.00 36.19 H new ATOM 0 HD13 LEU A 168 27.722 -4.662 3.999 1.00 36.19 H new ATOM 0 HD21 LEU A 168 27.557 -2.165 5.605 1.00 37.66 H new ATOM 0 HD22 LEU A 168 28.755 -2.315 4.580 1.00 37.66 H new ATOM 0 HD23 LEU A 168 27.783 -1.068 4.485 1.00 37.66 H new ATOM 1123 N VAL A 169 26.652 -1.680 -0.685 1.00 33.24 N ATOM 1124 CA VAL A 169 27.138 -1.609 -2.058 1.00 33.97 C ATOM 1125 C VAL A 169 26.198 -0.894 -3.025 1.00 32.19 C ATOM 1126 O VAL A 169 26.453 -0.886 -4.188 1.00 37.57 O ATOM 1127 CB VAL A 169 27.416 -3.022 -2.644 1.00 36.56 C ATOM 1128 CG1 VAL A 169 28.438 -3.773 -1.812 1.00 42.70 C ATOM 1129 CG2 VAL A 169 26.150 -3.875 -2.759 1.00 37.78 C ATOM 0 H VAL A 169 25.906 -2.096 -0.590 1.00 33.24 H new ATOM 0 HA VAL A 169 27.955 -1.091 -1.985 1.00 33.97 H new ATOM 0 HB VAL A 169 27.765 -2.871 -3.537 1.00 36.56 H new ATOM 0 HG11 VAL A 169 28.591 -4.649 -2.200 1.00 42.70 H new ATOM 0 HG12 VAL A 169 29.271 -3.276 -1.797 1.00 42.70 H new ATOM 0 HG13 VAL A 169 28.106 -3.875 -0.906 1.00 42.70 H new ATOM 0 HG21 VAL A 169 26.377 -4.743 -3.128 1.00 37.78 H new ATOM 0 HG22 VAL A 169 25.757 -3.991 -1.880 1.00 37.78 H new ATOM 0 HG23 VAL A 169 25.513 -3.433 -3.342 1.00 37.78 H new ATOM 1130 N GLY A 170 25.115 -0.331 -2.544 1.00 31.20 N ATOM 1131 CA GLY A 170 24.070 0.201 -3.380 1.00 29.95 C ATOM 1132 C GLY A 170 23.041 -0.849 -3.716 1.00 28.76 C ATOM 1133 O GLY A 170 23.247 -2.034 -3.501 1.00 29.75 O ATOM 0 H GLY A 170 24.963 -0.245 -1.702 1.00 31.20 H new ATOM 0 HA2 GLY A 170 23.640 0.944 -2.929 1.00 29.95 H new ATOM 0 HA3 GLY A 170 24.456 0.551 -4.198 1.00 29.95 H new ATOM 1134 N PRO A 171 21.932 -0.432 -4.331 1.00 28.83 N ATOM 1135 CA PRO A 171 21.721 0.910 -4.967 1.00 24.97 C ATOM 1136 C PRO A 171 21.231 2.018 -4.059 1.00 22.46 C ATOM 1137 O PRO A 171 21.044 3.158 -4.503 1.00 20.78 O ATOM 1138 CB PRO A 171 20.673 0.610 -6.053 1.00 25.67 C ATOM 1139 CG PRO A 171 19.898 -0.557 -5.498 1.00 27.84 C ATOM 1140 CD PRO A 171 20.874 -1.406 -4.681 1.00 26.23 C ATOM 0 HA PRO A 171 22.570 1.261 -5.279 1.00 24.97 H new ATOM 0 HB2 PRO A 171 20.098 1.375 -6.213 1.00 25.67 H new ATOM 0 HB3 PRO A 171 21.092 0.388 -6.899 1.00 25.67 H new ATOM 0 HG2 PRO A 171 19.166 -0.248 -4.942 1.00 27.84 H new ATOM 0 HG3 PRO A 171 19.508 -1.080 -6.215 1.00 27.84 H new ATOM 0 HD2 PRO A 171 20.453 -1.781 -3.892 1.00 26.23 H new ATOM 0 HD3 PRO A 171 21.224 -2.150 -5.196 1.00 26.23 H new ATOM 1141 N LEU A 172 20.980 1.712 -2.802 1.00 21.43 N ATOM 1142 CA LEU A 172 20.561 2.759 -1.909 1.00 21.91 C ATOM 1143 C LEU A 172 21.628 3.842 -1.698 1.00 22.42 C ATOM 1144 O LEU A 172 22.781 3.549 -1.363 1.00 23.53 O ATOM 1145 CB LEU A 172 20.148 2.194 -0.547 1.00 21.20 C ATOM 1146 CG LEU A 172 19.515 3.217 0.411 1.00 19.92 C ATOM 1147 CD1 LEU A 172 18.151 3.703 -0.065 1.00 18.42 C ATOM 1148 CD2 LEU A 172 19.354 2.525 1.789 1.00 22.14 C ATOM 0 H LEU A 172 21.044 0.927 -2.456 1.00 21.43 H new ATOM 0 HA LEU A 172 19.799 3.175 -2.341 1.00 21.91 H new ATOM 0 HB2 LEU A 172 19.518 1.470 -0.689 1.00 21.20 H new ATOM 0 HB3 LEU A 172 20.930 1.810 -0.120 1.00 21.20 H new ATOM 0 HG LEU A 172 20.092 3.996 0.457 1.00 19.92 H new ATOM 0 HD11 LEU A 172 17.796 4.344 0.571 1.00 18.42 H new ATOM 0 HD12 LEU A 172 18.243 4.126 -0.933 1.00 18.42 H new ATOM 0 HD13 LEU A 172 17.545 2.949 -0.136 1.00 18.42 H new ATOM 0 HD21 LEU A 172 18.956 3.146 2.419 1.00 22.14 H new ATOM 0 HD22 LEU A 172 18.781 1.748 1.696 1.00 22.14 H new ATOM 0 HD23 LEU A 172 20.224 2.248 2.116 1.00 22.14 H new ATOM 1149 N LYS A 173 21.198 5.086 -1.830 1.00 22.44 N ATOM 1150 CA LYS A 173 22.085 6.233 -1.684 1.00 24.19 C ATOM 1151 C LYS A 173 21.372 7.337 -0.957 1.00 22.49 C ATOM 1152 O LYS A 173 20.149 7.375 -0.958 1.00 22.35 O ATOM 1153 CB LYS A 173 22.516 6.718 -3.063 1.00 28.87 C ATOM 1154 CG LYS A 173 23.784 5.983 -3.496 1.00 32.18 C ATOM 1155 CD LYS A 173 24.157 6.222 -4.923 1.00 36.00 C ATOM 1156 CE LYS A 173 25.274 5.281 -5.350 1.00 37.74 C ATOM 1157 NZ LYS A 173 25.914 5.905 -6.526 1.00 42.46 N ATOM 0 H LYS A 173 20.382 5.292 -2.007 1.00 22.44 H new ATOM 0 HA LYS A 173 22.868 5.973 -1.174 1.00 24.19 H new ATOM 0 HB2 LYS A 173 21.807 6.563 -3.706 1.00 28.87 H new ATOM 0 HB3 LYS A 173 22.677 7.674 -3.043 1.00 28.87 H new ATOM 0 HG2 LYS A 173 24.519 6.259 -2.927 1.00 32.18 H new ATOM 0 HG3 LYS A 173 23.660 5.031 -3.357 1.00 32.18 H new ATOM 0 HD2 LYS A 173 23.382 6.091 -5.491 1.00 36.00 H new ATOM 0 HD3 LYS A 173 24.441 7.142 -5.038 1.00 36.00 H new ATOM 0 HE2 LYS A 173 25.915 5.156 -4.633 1.00 37.74 H new ATOM 0 HE3 LYS A 173 24.922 4.405 -5.572 1.00 37.74 H new ATOM 0 HZ1 LYS A 173 26.578 5.387 -6.813 1.00 42.46 H new ATOM 0 HZ2 LYS A 173 25.313 6.002 -7.175 1.00 42.46 H new ATOM 0 HZ3 LYS A 173 26.237 6.703 -6.300 1.00 42.46 H new ATOM 1158 N ILE A 174 22.152 8.223 -0.346 1.00 22.04 N ATOM 1159 CA ILE A 174 21.638 9.341 0.435 1.00 20.49 C ATOM 1160 C ILE A 174 22.654 10.489 0.500 1.00 21.64 C ATOM 1161 O ILE A 174 23.859 10.234 0.396 1.00 22.88 O ATOM 1162 CB ILE A 174 21.283 8.859 1.853 1.00 20.29 C ATOM 1163 CG1 ILE A 174 20.486 9.906 2.624 1.00 20.21 C ATOM 1164 CG2 ILE A 174 22.539 8.399 2.600 1.00 20.78 C ATOM 1165 CD1 ILE A 174 19.851 9.391 3.941 1.00 22.99 C ATOM 0 H ILE A 174 23.011 8.190 -0.375 1.00 22.04 H new ATOM 0 HA ILE A 174 20.840 9.679 -0.000 1.00 20.49 H new ATOM 0 HB ILE A 174 20.701 8.087 1.774 1.00 20.29 H new ATOM 0 HG12 ILE A 174 21.070 10.653 2.830 1.00 20.21 H new ATOM 0 HG13 ILE A 174 19.782 10.247 2.050 1.00 20.21 H new ATOM 0 HG21 ILE A 174 22.295 8.100 3.490 1.00 20.78 H new ATOM 0 HG22 ILE A 174 22.954 7.668 2.116 1.00 20.78 H new ATOM 0 HG23 ILE A 174 23.164 9.138 2.668 1.00 20.78 H new ATOM 0 HD11 ILE A 174 19.364 10.112 4.369 1.00 22.99 H new ATOM 0 HD12 ILE A 174 19.242 8.663 3.743 1.00 22.99 H new ATOM 0 HD13 ILE A 174 20.549 9.075 4.535 1.00 22.99 H new ATOM 1166 N THR A 175 22.167 11.735 0.674 1.00 21.79 N ATOM 1167 CA THR A 175 23.012 12.908 0.753 1.00 22.02 C ATOM 1168 C THR A 175 23.316 13.289 2.199 1.00 22.12 C ATOM 1169 O THR A 175 22.628 12.901 3.131 1.00 22.92 O ATOM 1170 CB THR A 175 22.342 14.145 0.064 1.00 23.15 C ATOM 1171 OG1 THR A 175 21.266 14.623 0.863 1.00 18.57 O ATOM 1172 CG2 THR A 175 21.815 13.818 -1.393 1.00 20.00 C ATOM 0 H THR A 175 21.328 11.907 0.748 1.00 21.79 H new ATOM 0 HA THR A 175 23.834 12.676 0.294 1.00 22.02 H new ATOM 0 HB THR A 175 23.026 14.828 -0.020 1.00 23.15 H new ATOM 0 HG1 THR A 175 20.916 15.291 0.492 1.00 18.57 H new ATOM 0 HG21 THR A 175 21.410 14.612 -1.777 1.00 20.00 H new ATOM 0 HG22 THR A 175 22.557 13.533 -1.949 1.00 20.00 H new ATOM 0 HG23 THR A 175 21.155 13.109 -1.347 1.00 20.00 H new ATOM 1173 N PRO A 176 24.367 14.045 2.401 1.00 20.73 N ATOM 1174 CA PRO A 176 24.544 14.404 3.778 1.00 21.63 C ATOM 1175 C PRO A 176 23.382 15.274 4.383 1.00 22.08 C ATOM 1176 O PRO A 176 23.093 15.179 5.572 1.00 20.69 O ATOM 1177 CB PRO A 176 25.850 15.191 3.733 1.00 21.17 C ATOM 1178 CG PRO A 176 26.631 14.524 2.628 1.00 20.15 C ATOM 1179 CD PRO A 176 25.578 14.278 1.599 1.00 20.62 C ATOM 0 HA PRO A 176 24.550 13.624 4.354 1.00 21.63 H new ATOM 0 HB2 PRO A 176 25.694 16.129 3.543 1.00 21.17 H new ATOM 0 HB3 PRO A 176 26.322 15.147 4.579 1.00 21.17 H new ATOM 0 HG2 PRO A 176 27.340 15.094 2.291 1.00 20.15 H new ATOM 0 HG3 PRO A 176 27.046 13.699 2.925 1.00 20.15 H new ATOM 0 HD2 PRO A 176 25.473 15.038 1.006 1.00 20.62 H new ATOM 0 HD3 PRO A 176 25.792 13.512 1.044 1.00 20.62 H new ATOM 1180 N VAL A 177 22.765 16.127 3.577 1.00 20.59 N ATOM 1181 CA VAL A 177 21.607 16.870 4.023 1.00 21.31 C ATOM 1182 C VAL A 177 20.478 15.908 4.488 1.00 20.68 C ATOM 1183 O VAL A 177 19.920 16.072 5.599 1.00 21.16 O ATOM 1184 CB VAL A 177 21.181 17.922 2.947 1.00 20.83 C ATOM 1185 CG1 VAL A 177 19.764 18.429 3.179 1.00 21.54 C ATOM 1186 CG2 VAL A 177 22.135 19.156 2.979 1.00 20.21 C ATOM 0 H VAL A 177 23.005 16.288 2.767 1.00 20.59 H new ATOM 0 HA VAL A 177 21.831 17.390 4.811 1.00 21.31 H new ATOM 0 HB VAL A 177 21.228 17.472 2.089 1.00 20.83 H new ATOM 0 HG11 VAL A 177 19.536 19.077 2.495 1.00 21.54 H new ATOM 0 HG12 VAL A 177 19.143 17.685 3.139 1.00 21.54 H new ATOM 0 HG13 VAL A 177 19.709 18.848 4.052 1.00 21.54 H new ATOM 0 HG21 VAL A 177 21.857 19.798 2.307 1.00 20.21 H new ATOM 0 HG22 VAL A 177 22.099 19.570 3.855 1.00 20.21 H new ATOM 0 HG23 VAL A 177 23.043 18.868 2.795 1.00 20.21 H new ATOM 1187 N GLN A 178 20.171 14.891 3.680 1.00 19.63 N ATOM 1188 CA GLN A 178 19.167 13.940 4.044 1.00 20.72 C ATOM 1189 C GLN A 178 19.504 13.172 5.338 1.00 21.58 C ATOM 1190 O GLN A 178 18.625 12.849 6.165 1.00 24.21 O ATOM 1191 CB GLN A 178 18.928 13.001 2.899 1.00 20.91 C ATOM 1192 CG GLN A 178 18.222 13.697 1.741 1.00 22.15 C ATOM 1193 CD GLN A 178 18.259 12.883 0.430 1.00 23.54 C ATOM 1194 OE1 GLN A 178 19.096 11.984 0.191 1.00 20.43 O ATOM 1195 NE2 GLN A 178 17.354 13.216 -0.412 1.00 24.06 N ATOM 0 H GLN A 178 20.543 14.748 2.918 1.00 19.63 H new ATOM 0 HA GLN A 178 18.353 14.431 4.235 1.00 20.72 H new ATOM 0 HB2 GLN A 178 19.775 12.640 2.593 1.00 20.91 H new ATOM 0 HB3 GLN A 178 18.393 12.251 3.201 1.00 20.91 H new ATOM 0 HG2 GLN A 178 17.298 13.863 1.986 1.00 22.15 H new ATOM 0 HG3 GLN A 178 18.635 14.561 1.590 1.00 22.15 H new ATOM 0 HE21 GLN A 178 16.793 13.838 -0.217 1.00 24.06 H new ATOM 0 HE22 GLN A 178 17.307 12.817 -1.173 1.00 24.06 H new ATOM 1196 N GLU A 179 20.766 12.898 5.534 1.00 20.02 N ATOM 1197 CA GLU A 179 21.195 12.153 6.725 1.00 19.88 C ATOM 1198 C GLU A 179 21.040 12.967 7.997 1.00 22.24 C ATOM 1199 O GLU A 179 20.671 12.406 9.064 1.00 21.95 O ATOM 1200 CB GLU A 179 22.659 11.701 6.602 1.00 19.21 C ATOM 1201 CG GLU A 179 22.875 10.407 5.808 1.00 20.35 C ATOM 1202 CD GLU A 179 23.326 9.159 6.583 1.00 23.43 C ATOM 1203 OE1 GLU A 179 23.195 8.046 5.992 1.00 24.69 O ATOM 1204 OE2 GLU A 179 23.782 9.262 7.750 1.00 22.89 O ATOM 0 H GLU A 179 21.402 13.126 5.002 1.00 20.02 H new ATOM 0 HA GLU A 179 20.616 11.376 6.780 1.00 19.88 H new ATOM 0 HB2 GLU A 179 23.168 12.411 6.181 1.00 19.21 H new ATOM 0 HB3 GLU A 179 23.022 11.582 7.493 1.00 19.21 H new ATOM 0 HG2 GLU A 179 22.044 10.193 5.355 1.00 20.35 H new ATOM 0 HG3 GLU A 179 23.535 10.586 5.120 1.00 20.35 H new ATOM 1205 N VAL A 180 21.375 14.253 7.945 1.00 21.64 N ATOM 1206 CA VAL A 180 21.212 15.064 9.135 1.00 24.10 C ATOM 1207 C VAL A 180 19.705 15.306 9.395 1.00 25.32 C ATOM 1208 O VAL A 180 19.322 15.385 10.545 1.00 22.83 O ATOM 1209 CB VAL A 180 21.964 16.378 9.064 1.00 27.31 C ATOM 1210 CG1 VAL A 180 21.236 17.375 8.190 1.00 24.62 C ATOM 1211 CG2 VAL A 180 22.157 16.962 10.448 1.00 30.00 C ATOM 0 H VAL A 180 21.687 14.660 7.255 1.00 21.64 H new ATOM 0 HA VAL A 180 21.598 14.573 9.877 1.00 24.10 H new ATOM 0 HB VAL A 180 22.833 16.196 8.673 1.00 27.31 H new ATOM 0 HG11 VAL A 180 21.736 18.206 8.161 1.00 24.62 H new ATOM 0 HG12 VAL A 180 21.151 17.017 7.292 1.00 24.62 H new ATOM 0 HG13 VAL A 180 20.353 17.542 8.556 1.00 24.62 H new ATOM 0 HG21 VAL A 180 22.639 17.801 10.381 1.00 30.00 H new ATOM 0 HG22 VAL A 180 21.291 17.119 10.857 1.00 30.00 H new ATOM 0 HG23 VAL A 180 22.664 16.341 10.994 1.00 30.00 H new ATOM 1212 N ASN A 181 18.872 15.354 8.341 1.00 24.10 N ATOM 1213 CA ASN A 181 17.418 15.439 8.522 1.00 24.48 C ATOM 1214 C ASN A 181 16.868 14.117 9.097 1.00 26.52 C ATOM 1215 O ASN A 181 15.950 14.150 9.892 1.00 27.97 O ATOM 1216 CB ASN A 181 16.650 15.816 7.236 1.00 22.37 C ATOM 1217 CG ASN A 181 16.842 17.321 6.843 1.00 25.55 C ATOM 1218 OD1 ASN A 181 16.956 18.150 7.679 1.00 25.85 O ATOM 1219 ND2 ASN A 181 16.873 17.627 5.550 1.00 29.32 N ATOM 0 H ASN A 181 19.130 15.338 7.521 1.00 24.10 H new ATOM 0 HA ASN A 181 17.270 16.162 9.151 1.00 24.48 H new ATOM 0 HB2 ASN A 181 16.951 15.253 6.506 1.00 22.37 H new ATOM 0 HB3 ASN A 181 15.705 15.636 7.362 1.00 22.37 H new ATOM 0 HD21 ASN A 181 16.978 18.444 5.304 1.00 29.32 H new ATOM 0 HD22 ASN A 181 16.788 17.008 4.959 1.00 29.32 H new ATOM 1220 N PHE A 182 17.428 12.974 8.687 1.00 26.48 N ATOM 1221 CA PHE A 182 17.066 11.710 9.281 1.00 24.42 C ATOM 1222 C PHE A 182 17.384 11.717 10.766 1.00 24.43 C ATOM 1223 O PHE A 182 16.542 11.408 11.595 1.00 25.25 O ATOM 1224 CB PHE A 182 17.830 10.586 8.634 1.00 25.21 C ATOM 1225 CG PHE A 182 17.551 9.290 9.249 1.00 22.66 C ATOM 1226 CD1 PHE A 182 16.362 8.669 9.006 1.00 24.77 C ATOM 1227 CD2 PHE A 182 18.394 8.758 10.131 1.00 22.35 C ATOM 1228 CE1 PHE A 182 16.053 7.474 9.596 1.00 23.88 C ATOM 1229 CE2 PHE A 182 18.084 7.571 10.749 1.00 24.55 C ATOM 1230 CZ PHE A 182 16.905 6.938 10.487 1.00 23.46 C ATOM 0 H PHE A 182 18.019 12.921 8.065 1.00 26.48 H new ATOM 0 HA PHE A 182 16.114 11.578 9.147 1.00 24.42 H new ATOM 0 HB2 PHE A 182 17.606 10.548 7.691 1.00 25.21 H new ATOM 0 HB3 PHE A 182 18.781 10.770 8.692 1.00 25.21 H new ATOM 0 HD1 PHE A 182 15.750 9.065 8.429 1.00 24.77 H new ATOM 0 HD2 PHE A 182 19.193 9.190 10.329 1.00 22.35 H new ATOM 0 HE1 PHE A 182 15.261 7.036 9.383 1.00 23.88 H new ATOM 0 HE2 PHE A 182 18.684 7.195 11.352 1.00 24.55 H new ATOM 0 HZ PHE A 182 16.692 6.143 10.921 1.00 23.46 H new ATOM 1231 N ALA A 183 18.589 12.102 11.125 1.00 23.20 N ATOM 1232 CA ALA A 183 18.943 12.128 12.515 1.00 22.52 C ATOM 1233 C ALA A 183 18.085 13.092 13.307 1.00 25.36 C ATOM 1234 O ALA A 183 17.808 12.865 14.494 1.00 26.46 O ATOM 1235 CB ALA A 183 20.385 12.504 12.681 1.00 22.33 C ATOM 0 H ALA A 183 19.209 12.349 10.583 1.00 23.20 H new ATOM 0 HA ALA A 183 18.791 11.234 12.860 1.00 22.52 H new ATOM 0 HB1 ALA A 183 20.610 12.517 13.625 1.00 22.33 H new ATOM 0 HB2 ALA A 183 20.943 11.855 12.225 1.00 22.33 H new ATOM 0 HB3 ALA A 183 20.536 13.383 12.301 1.00 22.33 H new ATOM 1236 N ASP A 184 17.708 14.192 12.664 1.00 27.91 N ATOM 1237 CA ASP A 184 16.855 15.210 13.293 1.00 26.91 C ATOM 1238 C ASP A 184 15.446 14.642 13.521 1.00 26.59 C ATOM 1239 O ASP A 184 14.863 14.842 14.565 1.00 25.12 O ATOM 1240 CB ASP A 184 16.787 16.443 12.404 1.00 26.09 C ATOM 1241 CG ASP A 184 16.086 17.628 13.055 1.00 29.14 C ATOM 1242 OD1 ASP A 184 16.308 17.949 14.265 1.00 29.87 O ATOM 1243 OD2 ASP A 184 15.358 18.304 12.299 1.00 29.11 O ATOM 0 H ASP A 184 17.935 14.374 11.855 1.00 27.91 H new ATOM 0 HA ASP A 184 17.234 15.460 14.150 1.00 26.91 H new ATOM 0 HB2 ASP A 184 17.688 16.705 12.159 1.00 26.09 H new ATOM 0 HB3 ASP A 184 16.324 16.215 11.583 1.00 26.09 H new ATOM 1244 N ASP A 185 14.898 13.929 12.554 1.00 24.52 N ATOM 1245 CA ASP A 185 13.658 13.229 12.801 1.00 26.07 C ATOM 1246 C ASP A 185 13.712 12.243 14.018 1.00 27.78 C ATOM 1247 O ASP A 185 12.892 12.295 14.910 1.00 29.84 O ATOM 1248 CB ASP A 185 13.262 12.465 11.573 1.00 27.90 C ATOM 1249 CG ASP A 185 12.716 13.378 10.437 1.00 27.76 C ATOM 1250 OD1 ASP A 185 12.286 14.498 10.687 1.00 28.97 O ATOM 1251 OD2 ASP A 185 12.712 12.936 9.294 1.00 27.11 O ATOM 0 H ASP A 185 15.222 13.839 11.762 1.00 24.52 H new ATOM 0 HA ASP A 185 13.004 13.910 13.023 1.00 26.07 H new ATOM 0 HB2 ASP A 185 14.030 11.972 11.244 1.00 27.90 H new ATOM 0 HB3 ASP A 185 12.585 11.812 11.809 1.00 27.90 H new ATOM 1252 N LEU A 186 14.681 11.360 14.040 1.00 26.59 N ATOM 1253 CA LEU A 186 14.780 10.352 15.065 1.00 26.80 C ATOM 1254 C LEU A 186 15.047 11.006 16.421 1.00 26.53 C ATOM 1255 O LEU A 186 14.440 10.633 17.406 1.00 23.27 O ATOM 1256 CB LEU A 186 15.900 9.358 14.702 1.00 26.17 C ATOM 1257 CG LEU A 186 16.336 8.340 15.744 1.00 25.75 C ATOM 1258 CD1 LEU A 186 15.149 7.503 16.188 1.00 24.97 C ATOM 1259 CD2 LEU A 186 17.364 7.406 15.158 1.00 26.26 C ATOM 0 H LEU A 186 15.309 11.327 13.453 1.00 26.59 H new ATOM 0 HA LEU A 186 13.942 9.867 15.125 1.00 26.80 H new ATOM 0 HB2 LEU A 186 15.616 8.869 13.914 1.00 26.17 H new ATOM 0 HB3 LEU A 186 16.681 9.874 14.450 1.00 26.17 H new ATOM 0 HG LEU A 186 16.709 8.823 16.498 1.00 25.75 H new ATOM 0 HD11 LEU A 186 15.438 6.858 16.852 1.00 24.97 H new ATOM 0 HD12 LEU A 186 14.471 8.081 16.573 1.00 24.97 H new ATOM 0 HD13 LEU A 186 14.778 7.035 15.423 1.00 24.97 H new ATOM 0 HD21 LEU A 186 17.636 6.761 15.830 1.00 26.26 H new ATOM 0 HD22 LEU A 186 16.982 6.940 14.398 1.00 26.26 H new ATOM 0 HD23 LEU A 186 18.137 7.916 14.869 1.00 26.26 H new ATOM 1260 N ALA A 187 15.932 12.004 16.474 1.00 25.83 N ATOM 1261 CA ALA A 187 16.135 12.719 17.725 1.00 25.14 C ATOM 1262 C ALA A 187 14.885 13.331 18.333 1.00 25.96 C ATOM 1263 O ALA A 187 14.832 13.390 19.555 1.00 27.60 O ATOM 1264 CB ALA A 187 17.173 13.797 17.597 1.00 28.04 C ATOM 0 H ALA A 187 16.411 12.274 15.813 1.00 25.83 H new ATOM 0 HA ALA A 187 16.436 12.022 18.328 1.00 25.14 H new ATOM 0 HB1 ALA A 187 17.278 14.248 18.449 1.00 28.04 H new ATOM 0 HB2 ALA A 187 18.019 13.402 17.334 1.00 28.04 H new ATOM 0 HB3 ALA A 187 16.893 14.438 16.925 1.00 28.04 H new ATOM 1265 N HIS A 188 13.961 13.844 17.509 1.00 26.90 N ATOM 1266 CA HIS A 188 12.663 14.416 17.945 1.00 30.72 C ATOM 1267 C HIS A 188 11.476 13.419 17.807 1.00 32.84 C ATOM 1268 O HIS A 188 10.341 13.812 17.907 1.00 35.13 O ATOM 1269 CB HIS A 188 12.352 15.735 17.172 1.00 31.18 C ATOM 1270 CG HIS A 188 13.396 16.778 17.366 1.00 36.55 C ATOM 1271 ND1 HIS A 188 14.460 16.955 16.485 1.00 42.56 N ATOM 1272 CD2 HIS A 188 13.627 17.611 18.406 1.00 34.03 C ATOM 1273 CE1 HIS A 188 15.291 17.866 16.969 1.00 39.18 C ATOM 1274 NE2 HIS A 188 14.805 18.282 18.131 1.00 42.39 N ATOM 0 H HIS A 188 14.070 13.872 16.656 1.00 26.90 H new ATOM 0 HA HIS A 188 12.757 14.611 18.891 1.00 30.72 H new ATOM 0 HB2 HIS A 188 12.269 15.538 16.226 1.00 31.18 H new ATOM 0 HB3 HIS A 188 11.495 16.083 17.466 1.00 31.18 H new ATOM 0 HD1 HIS A 188 14.562 16.537 15.740 1.00 42.56 H new ATOM 0 HD2 HIS A 188 13.095 17.713 19.162 1.00 34.03 H new ATOM 0 HE1 HIS A 188 16.075 18.161 16.566 1.00 39.18 H new ATOM 1275 N ASN A 189 11.721 12.136 17.568 1.00 33.59 N ATOM 1276 CA ASN A 189 10.636 11.157 17.446 1.00 33.44 C ATOM 1277 C ASN A 189 9.616 11.399 16.354 1.00 31.54 C ATOM 1278 O ASN A 189 8.463 10.979 16.465 1.00 30.92 O ATOM 1279 CB ASN A 189 9.922 10.959 18.792 1.00 34.09 C ATOM 1280 CG ASN A 189 10.897 10.564 19.867 1.00 39.72 C ATOM 1281 OD1 ASN A 189 11.758 9.712 19.665 1.00 41.15 O ATOM 1282 ND2 ASN A 189 10.834 11.232 20.972 1.00 41.39 N ATOM 0 H ASN A 189 12.510 11.807 17.472 1.00 33.59 H new ATOM 0 HA ASN A 189 11.097 10.349 17.171 1.00 33.44 H new ATOM 0 HB2 ASN A 189 9.470 11.779 19.046 1.00 34.09 H new ATOM 0 HB3 ASN A 189 9.240 10.275 18.702 1.00 34.09 H new ATOM 0 HD21 ASN A 189 11.407 11.086 21.596 1.00 41.39 H new ATOM 0 HD22 ASN A 189 10.219 11.822 21.083 1.00 41.39 H new ATOM 1283 N ARG A 190 10.045 11.984 15.254 1.00 30.43 N ATOM 1284 CA ARG A 190 9.149 12.202 14.127 1.00 28.53 C ATOM 1285 C ARG A 190 9.118 11.118 13.084 1.00 28.32 C ATOM 1286 O ARG A 190 8.353 11.216 12.167 1.00 28.94 O ATOM 1287 CB ARG A 190 9.511 13.470 13.445 1.00 32.48 C ATOM 1288 CG ARG A 190 9.329 14.657 14.388 1.00 36.45 C ATOM 1289 CD ARG A 190 9.600 15.909 13.563 1.00 40.00 C ATOM 1290 NE ARG A 190 10.322 16.901 14.331 1.00 41.90 N ATOM 1291 CZ ARG A 190 11.496 17.426 13.982 1.00 44.00 C ATOM 1292 NH1 ARG A 190 12.013 18.345 14.780 1.00 41.79 N ATOM 1293 NH2 ARG A 190 12.168 17.046 12.859 1.00 44.78 N ATOM 0 H ARG A 190 10.849 12.264 15.135 1.00 30.43 H new ATOM 0 HA ARG A 190 8.265 12.219 14.526 1.00 28.53 H new ATOM 0 HB2 ARG A 190 10.432 13.429 13.142 1.00 32.48 H new ATOM 0 HB3 ARG A 190 8.958 13.589 12.657 1.00 32.48 H new ATOM 0 HG2 ARG A 190 8.431 14.672 14.754 1.00 36.45 H new ATOM 0 HG3 ARG A 190 9.941 14.599 15.139 1.00 36.45 H new ATOM 0 HD2 ARG A 190 10.112 15.674 12.773 1.00 40.00 H new ATOM 0 HD3 ARG A 190 8.760 16.284 13.255 1.00 40.00 H new ATOM 0 HE ARG A 190 9.967 17.171 15.066 1.00 41.90 H new ATOM 0 HH11 ARG A 190 11.593 18.582 15.492 1.00 41.79 H new ATOM 0 HH12 ARG A 190 12.769 18.706 14.587 1.00 41.79 H new ATOM 0 HH21 ARG A 190 11.836 16.444 12.342 1.00 44.78 H new ATOM 0 HH22 ARG A 190 12.924 17.408 12.667 1.00 44.78 H new ATOM 1294 N LEU A 191 9.945 10.089 13.167 1.00 25.76 N ATOM 1295 CA LEU A 191 9.854 9.081 12.160 1.00 26.94 C ATOM 1296 C LEU A 191 8.531 8.314 12.316 1.00 27.51 C ATOM 1297 O LEU A 191 7.945 8.302 13.398 1.00 26.56 O ATOM 1298 CB LEU A 191 11.076 8.157 12.218 1.00 28.48 C ATOM 1299 CG LEU A 191 12.340 8.911 11.830 1.00 28.19 C ATOM 1300 CD1 LEU A 191 13.531 8.097 12.254 1.00 26.50 C ATOM 1301 CD2 LEU A 191 12.380 9.198 10.335 1.00 27.25 C ATOM 0 H LEU A 191 10.540 9.966 13.776 1.00 25.76 H new ATOM 0 HA LEU A 191 9.854 9.492 11.282 1.00 26.94 H new ATOM 0 HB2 LEU A 191 11.172 7.795 13.113 1.00 28.48 H new ATOM 0 HB3 LEU A 191 10.947 7.404 11.620 1.00 28.48 H new ATOM 0 HG LEU A 191 12.352 9.770 12.280 1.00 28.19 H new ATOM 0 HD11 LEU A 191 14.346 8.565 12.013 1.00 26.50 H new ATOM 0 HD12 LEU A 191 13.507 7.964 13.215 1.00 26.50 H new ATOM 0 HD13 LEU A 191 13.510 7.236 11.808 1.00 26.50 H new ATOM 0 HD21 LEU A 191 13.195 9.678 10.119 1.00 27.25 H new ATOM 0 HD22 LEU A 191 12.358 8.362 9.844 1.00 27.25 H new ATOM 0 HD23 LEU A 191 11.613 9.737 10.088 1.00 27.25 H new ATOM 1302 N PRO A 192 8.073 7.652 11.250 1.00 27.90 N ATOM 1303 CA PRO A 192 6.745 7.027 11.358 1.00 27.11 C ATOM 1304 C PRO A 192 6.840 5.618 11.976 1.00 29.52 C ATOM 1305 O PRO A 192 6.552 4.622 11.302 1.00 32.99 O ATOM 1306 CB PRO A 192 6.248 6.994 9.869 1.00 23.50 C ATOM 1307 CG PRO A 192 7.519 6.924 9.068 1.00 24.04 C ATOM 1308 CD PRO A 192 8.587 7.658 9.853 1.00 25.08 C ATOM 0 HA PRO A 192 6.136 7.507 11.942 1.00 27.11 H new ATOM 0 HB2 PRO A 192 5.678 6.227 9.701 1.00 23.50 H new ATOM 0 HB3 PRO A 192 5.731 7.785 9.649 1.00 23.50 H new ATOM 0 HG2 PRO A 192 7.778 6.001 8.918 1.00 24.04 H new ATOM 0 HG3 PRO A 192 7.396 7.330 8.196 1.00 24.04 H new ATOM 0 HD2 PRO A 192 9.446 7.211 9.788 1.00 25.08 H new ATOM 0 HD3 PRO A 192 8.712 8.562 9.524 1.00 25.08 H new ATOM 1309 N PHE A 193 7.260 5.560 13.231 1.00 28.26 N ATOM 1310 CA PHE A 193 7.425 4.350 13.992 1.00 26.16 C ATOM 1311 C PHE A 193 6.894 4.704 15.349 1.00 27.16 C ATOM 1312 O PHE A 193 6.907 5.919 15.732 1.00 27.04 O ATOM 1313 CB PHE A 193 8.939 3.984 14.134 1.00 28.47 C ATOM 1314 CG PHE A 193 9.599 3.557 12.837 1.00 27.85 C ATOM 1315 CD1 PHE A 193 9.283 2.351 12.260 1.00 26.28 C ATOM 1316 CD2 PHE A 193 10.545 4.367 12.225 1.00 26.26 C ATOM 1317 CE1 PHE A 193 9.860 1.968 11.067 1.00 31.15 C ATOM 1318 CE2 PHE A 193 11.090 4.015 11.007 1.00 29.55 C ATOM 1319 CZ PHE A 193 10.750 2.810 10.414 1.00 29.38 C ATOM 0 H PHE A 193 7.465 6.265 13.678 1.00 28.26 H new ATOM 0 HA PHE A 193 6.979 3.597 13.575 1.00 26.16 H new ATOM 0 HB2 PHE A 193 9.415 4.751 14.490 1.00 28.47 H new ATOM 0 HB3 PHE A 193 9.029 3.268 14.782 1.00 28.47 H new ATOM 0 HD1 PHE A 193 8.673 1.787 12.678 1.00 26.28 H new ATOM 0 HD2 PHE A 193 10.814 5.155 12.640 1.00 26.26 H new ATOM 0 HE1 PHE A 193 9.651 1.140 10.698 1.00 31.15 H new ATOM 0 HE2 PHE A 193 11.687 4.588 10.583 1.00 29.55 H new ATOM 0 HZ PHE A 193 11.112 2.569 9.592 1.00 29.38 H new ATOM 1320 N LYS A 194 6.520 3.703 16.145 1.00 30.30 N ATOM 1321 CA LYS A 194 6.034 3.988 17.535 1.00 31.81 C ATOM 1322 C LYS A 194 7.106 4.712 18.294 1.00 33.78 C ATOM 1323 O LYS A 194 8.306 4.583 17.988 1.00 33.25 O ATOM 1324 CB LYS A 194 5.683 2.718 18.355 1.00 36.84 C ATOM 1325 CG LYS A 194 4.622 1.812 17.727 1.00 38.35 C ATOM 1326 CD LYS A 194 4.569 0.422 18.338 1.00 43.01 C ATOM 1327 CE LYS A 194 3.434 -0.331 17.648 1.00 50.81 C ATOM 1328 NZ LYS A 194 3.176 -1.721 18.106 1.00 58.19 N ATOM 0 H LYS A 194 6.532 2.872 15.925 1.00 30.30 H new ATOM 0 HA LYS A 194 5.225 4.512 17.428 1.00 31.81 H new ATOM 0 HB2 LYS A 194 6.493 2.201 18.486 1.00 36.84 H new ATOM 0 HB3 LYS A 194 5.376 2.992 19.233 1.00 36.84 H new ATOM 0 HG2 LYS A 194 3.753 2.232 17.821 1.00 38.35 H new ATOM 0 HG3 LYS A 194 4.797 1.733 16.776 1.00 38.35 H new ATOM 0 HD2 LYS A 194 5.413 -0.040 18.212 1.00 43.01 H new ATOM 0 HD3 LYS A 194 4.414 0.474 19.294 1.00 43.01 H new ATOM 0 HE2 LYS A 194 2.618 0.181 17.762 1.00 50.81 H new ATOM 0 HE3 LYS A 194 3.622 -0.356 16.697 1.00 50.81 H new ATOM 0 HZ1 LYS A 194 2.499 -2.066 17.642 1.00 58.19 H new ATOM 0 HZ2 LYS A 194 3.905 -2.216 17.979 1.00 58.19 H new ATOM 0 HZ3 LYS A 194 2.969 -1.715 18.972 1.00 58.19 H new ATOM 1329 N LEU A 195 6.685 5.449 19.318 1.00 37.29 N ATOM 1330 CA ALEU A 195 7.620 6.182 20.177 0.50 37.64 C ATOM 1331 CA BLEU A 195 7.633 6.188 20.113 0.50 36.58 C ATOM 1332 C LEU A 195 8.569 5.214 20.830 1.00 37.19 C ATOM 1333 O LEU A 195 9.735 5.502 20.974 1.00 44.47 O ATOM 1334 CB ALEU A 195 6.915 6.999 21.288 0.50 37.03 C ATOM 1335 CB BLEU A 195 6.913 7.151 21.080 0.50 34.78 C ATOM 1336 CG ALEU A 195 7.889 7.677 22.289 0.50 38.72 C ATOM 1337 CG BLEU A 195 5.961 8.190 20.432 0.50 35.47 C ATOM 1338 CD1ALEU A 195 8.733 8.732 21.578 0.50 38.25 C ATOM 1339 CD1BLEU A 195 5.397 9.129 21.498 0.50 34.48 C ATOM 1340 CD2ALEU A 195 7.234 8.298 23.530 0.50 39.71 C ATOM 1341 CD2BLEU A 195 6.590 8.985 19.268 0.50 31.97 C ATOM 0 H ALEU A 195 5.858 5.540 19.535 0.50 37.29 H new ATOM 0 H BLEU A 195 5.864 5.529 19.560 0.50 37.29 H new ATOM 0 HA ALEU A 195 8.089 6.807 19.603 0.50 36.58 H new ATOM 0 HA BLEU A 195 8.177 6.746 19.536 0.50 36.58 H new ATOM 0 HB2ALEU A 195 6.364 7.682 20.874 0.50 34.78 H new ATOM 0 HB2BLEU A 195 6.402 6.622 21.712 0.50 34.78 H new ATOM 0 HB3ALEU A 195 6.318 6.412 21.779 0.50 34.78 H new ATOM 0 HB3BLEU A 195 7.585 7.630 21.589 0.50 34.78 H new ATOM 0 HG ALEU A 195 8.441 6.952 22.621 0.50 35.47 H new ATOM 0 HG BLEU A 195 5.239 7.681 20.032 0.50 35.47 H new ATOM 0 HD11ALEU A 195 9.336 9.147 22.214 0.50 34.48 H new ATOM 0 HD11BLEU A 195 4.804 9.773 21.081 0.50 34.48 H new ATOM 0 HD12ALEU A 195 9.248 8.312 20.871 0.50 34.48 H new ATOM 0 HD12BLEU A 195 4.903 8.614 22.155 0.50 34.48 H new ATOM 0 HD13ALEU A 195 8.152 9.408 21.196 0.50 34.48 H new ATOM 0 HD13BLEU A 195 6.125 9.597 21.936 0.50 34.48 H new ATOM 0 HD21ALEU A 195 7.917 8.695 24.092 0.50 31.97 H new ATOM 0 HD21BLEU A 195 5.939 9.612 18.915 0.50 31.97 H new ATOM 0 HD22ALEU A 195 6.604 8.983 23.255 0.50 31.97 H new ATOM 0 HD22BLEU A 195 7.365 9.471 19.590 0.50 31.97 H new ATOM 0 HD23ALEU A 195 6.766 7.610 24.028 0.50 31.97 H new ATOM 0 HD23BLEU A 195 6.862 8.372 18.567 0.50 31.97 H new ATOM 1342 N GLU A 196 8.054 4.077 21.289 1.00 38.33 N ATOM 1343 CA GLU A 196 8.906 3.142 22.038 1.00 40.24 C ATOM 1344 C GLU A 196 9.986 2.491 21.087 1.00 32.82 C ATOM 1345 O GLU A 196 11.116 2.273 21.508 1.00 27.89 O ATOM 1346 CB GLU A 196 8.027 2.115 22.812 1.00 46.98 C ATOM 1347 CG GLU A 196 8.702 0.915 23.481 1.00 59.48 C ATOM 1348 CD GLU A 196 9.720 1.240 24.622 1.00 71.05 C ATOM 1349 OE1 GLU A 196 10.215 0.265 25.277 1.00 68.85 O ATOM 1350 OE2 GLU A 196 10.063 2.430 24.867 1.00 73.47 O ATOM 0 H GLU A 196 7.237 3.828 21.184 1.00 38.33 H new ATOM 0 HA GLU A 196 9.412 3.621 22.714 1.00 40.24 H new ATOM 0 HB2 GLU A 196 7.546 2.601 23.500 1.00 46.98 H new ATOM 0 HB3 GLU A 196 7.365 1.771 22.192 1.00 46.98 H new ATOM 0 HG2 GLU A 196 8.010 0.340 23.845 1.00 59.48 H new ATOM 0 HG3 GLU A 196 9.164 0.405 22.797 1.00 59.48 H new ATOM 1351 N THR A 197 9.644 2.219 19.829 1.00 25.90 N ATOM 1352 CA THR A 197 10.638 1.745 18.886 1.00 28.88 C ATOM 1353 C THR A 197 11.807 2.758 18.740 1.00 29.31 C ATOM 1354 O THR A 197 12.996 2.382 18.795 1.00 29.26 O ATOM 1355 CB THR A 197 10.020 1.499 17.517 1.00 31.39 C ATOM 1356 OG1 THR A 197 8.896 0.635 17.634 1.00 30.68 O ATOM 1357 CG2 THR A 197 11.050 0.885 16.505 1.00 34.68 C ATOM 0 H THR A 197 8.850 2.303 19.509 1.00 25.90 H new ATOM 0 HA THR A 197 10.985 0.910 19.237 1.00 28.88 H new ATOM 0 HB THR A 197 9.740 2.361 17.170 1.00 31.39 H new ATOM 0 HG1 THR A 197 8.398 0.731 16.965 1.00 30.68 H new ATOM 0 HG21 THR A 197 10.618 0.744 15.648 1.00 34.68 H new ATOM 0 HG22 THR A 197 11.797 1.494 16.394 1.00 34.68 H new ATOM 0 HG23 THR A 197 11.373 0.037 16.847 1.00 34.68 H new ATOM 1358 N GLN A 198 11.467 4.044 18.660 1.00 30.87 N ATOM 1359 CA GLN A 198 12.439 5.133 18.446 1.00 30.06 C ATOM 1360 C GLN A 198 13.310 5.271 19.648 1.00 29.68 C ATOM 1361 O GLN A 198 14.579 5.353 19.535 1.00 26.91 O ATOM 1362 CB GLN A 198 11.735 6.467 18.031 1.00 30.65 C ATOM 1363 CG GLN A 198 11.090 6.402 16.627 1.00 28.56 C ATOM 1364 CD GLN A 198 10.359 7.693 16.178 1.00 30.77 C ATOM 1365 OE1 GLN A 198 10.969 8.632 15.662 1.00 27.88 O ATOM 1366 NE2 GLN A 198 9.035 7.712 16.347 1.00 29.05 N ATOM 0 H GLN A 198 10.655 4.318 18.729 1.00 30.87 H new ATOM 0 HA GLN A 198 13.012 4.907 17.697 1.00 30.06 H new ATOM 0 HB2 GLN A 198 11.052 6.683 18.685 1.00 30.65 H new ATOM 0 HB3 GLN A 198 12.384 7.188 18.050 1.00 30.65 H new ATOM 0 HG2 GLN A 198 11.781 6.196 15.978 1.00 28.56 H new ATOM 0 HG3 GLN A 198 10.458 5.667 16.611 1.00 28.56 H new ATOM 0 HE21 GLN A 198 8.638 7.041 16.710 1.00 29.05 H new ATOM 0 HE22 GLN A 198 8.579 8.395 16.092 1.00 29.05 H new ATOM 1367 N GLU A 199 12.680 5.191 20.814 1.00 27.84 N ATOM 1368 CA GLU A 199 13.469 5.297 22.062 1.00 30.48 C ATOM 1369 C GLU A 199 14.434 4.108 22.243 1.00 25.51 C ATOM 1370 O GLU A 199 15.534 4.229 22.805 1.00 26.45 O ATOM 1371 CB GLU A 199 12.592 5.430 23.331 1.00 33.43 C ATOM 1372 CG GLU A 199 11.673 6.644 23.408 1.00 41.46 C ATOM 1373 CD GLU A 199 12.401 8.002 23.582 1.00 48.26 C ATOM 1374 OE1 GLU A 199 11.743 9.070 23.425 1.00 56.36 O ATOM 1375 OE2 GLU A 199 13.612 8.035 23.888 1.00 47.60 O ATOM 0 H GLU A 199 11.833 5.080 20.916 1.00 27.84 H new ATOM 0 HA GLU A 199 13.981 6.115 21.961 1.00 30.48 H new ATOM 0 HB2 GLU A 199 12.046 4.632 23.406 1.00 33.43 H new ATOM 0 HB3 GLU A 199 13.179 5.445 24.103 1.00 33.43 H new ATOM 0 HG2 GLU A 199 11.137 6.680 22.600 1.00 41.46 H new ATOM 0 HG3 GLU A 199 11.060 6.523 24.150 1.00 41.46 H new ATOM 1376 N GLU A 200 13.995 2.971 21.799 1.00 22.35 N ATOM 1377 CA GLU A 200 14.768 1.784 21.913 1.00 25.86 C ATOM 1378 C GLU A 200 16.041 1.954 21.063 1.00 24.59 C ATOM 1379 O GLU A 200 17.109 1.635 21.496 1.00 24.77 O ATOM 1380 CB GLU A 200 13.916 0.576 21.432 1.00 28.77 C ATOM 1381 CG GLU A 200 12.983 0.032 22.531 1.00 35.01 C ATOM 1382 CD GLU A 200 12.002 -1.023 22.020 1.00 38.06 C ATOM 1383 OE1 GLU A 200 11.480 -1.787 22.835 1.00 50.52 O ATOM 1384 OE2 GLU A 200 11.743 -1.116 20.808 1.00 49.95 O ATOM 0 H GLU A 200 13.231 2.865 21.418 1.00 22.35 H new ATOM 0 HA GLU A 200 15.027 1.619 22.833 1.00 25.86 H new ATOM 0 HB2 GLU A 200 13.385 0.844 20.666 1.00 28.77 H new ATOM 0 HB3 GLU A 200 14.507 -0.133 21.134 1.00 28.77 H new ATOM 0 HG2 GLU A 200 13.520 -0.351 23.242 1.00 35.01 H new ATOM 0 HG3 GLU A 200 12.484 0.769 22.918 1.00 35.01 H new ATOM 1385 N VAL A 201 15.894 2.444 19.842 1.00 25.23 N ATOM 1386 CA VAL A 201 17.043 2.608 18.947 1.00 24.55 C ATOM 1387 C VAL A 201 17.894 3.745 19.434 1.00 25.43 C ATOM 1388 O VAL A 201 19.104 3.617 19.389 1.00 21.83 O ATOM 1389 CB VAL A 201 16.620 2.830 17.502 1.00 24.26 C ATOM 1390 CG1 VAL A 201 17.793 3.134 16.591 1.00 26.90 C ATOM 1391 CG2 VAL A 201 15.858 1.616 16.987 1.00 25.59 C ATOM 0 H VAL A 201 15.141 2.689 19.507 1.00 25.23 H new ATOM 0 HA VAL A 201 17.557 1.786 18.962 1.00 24.55 H new ATOM 0 HB VAL A 201 16.042 3.609 17.491 1.00 24.26 H new ATOM 0 HG11 VAL A 201 17.473 3.267 15.685 1.00 26.90 H new ATOM 0 HG12 VAL A 201 18.241 3.938 16.897 1.00 26.90 H new ATOM 0 HG13 VAL A 201 18.417 2.391 16.608 1.00 26.90 H new ATOM 0 HG21 VAL A 201 15.593 1.767 16.066 1.00 25.59 H new ATOM 0 HG22 VAL A 201 16.427 0.832 17.035 1.00 25.59 H new ATOM 0 HG23 VAL A 201 15.068 1.475 17.532 1.00 25.59 H new ATOM 1392 N LYS A 202 17.301 4.844 19.920 1.00 24.59 N ATOM 1393 CA LYS A 202 18.144 5.895 20.498 1.00 25.10 C ATOM 1394 C LYS A 202 18.989 5.445 21.654 1.00 24.83 C ATOM 1395 O LYS A 202 20.139 5.811 21.702 1.00 27.15 O ATOM 1396 CB LYS A 202 17.345 7.120 20.904 1.00 27.75 C ATOM 1397 CG LYS A 202 16.700 7.747 19.679 1.00 35.52 C ATOM 1398 CD LYS A 202 16.106 9.123 19.967 1.00 41.90 C ATOM 1399 CE LYS A 202 14.753 9.125 20.641 1.00 43.17 C ATOM 1400 NZ LYS A 202 14.379 10.533 20.941 1.00 42.77 N ATOM 0 H LYS A 202 16.454 4.995 19.925 1.00 24.59 H new ATOM 0 HA LYS A 202 18.748 6.130 19.776 1.00 25.10 H new ATOM 0 HB2 LYS A 202 16.663 6.872 21.547 1.00 27.75 H new ATOM 0 HB3 LYS A 202 17.925 7.764 21.339 1.00 27.75 H new ATOM 0 HG2 LYS A 202 17.362 7.825 18.974 1.00 35.52 H new ATOM 0 HG3 LYS A 202 16.002 7.160 19.349 1.00 35.52 H new ATOM 0 HD2 LYS A 202 16.728 9.615 20.526 1.00 41.90 H new ATOM 0 HD3 LYS A 202 16.033 9.607 19.130 1.00 41.90 H new ATOM 0 HE2 LYS A 202 14.089 8.715 20.065 1.00 43.17 H new ATOM 0 HE3 LYS A 202 14.782 8.602 21.458 1.00 43.17 H new ATOM 0 HZ1 LYS A 202 14.450 10.679 21.816 1.00 42.77 H new ATOM 0 HZ2 LYS A 202 14.923 11.085 20.503 1.00 42.77 H new ATOM 0 HZ3 LYS A 202 13.540 10.679 20.684 1.00 42.77 H new ATOM 1401 N LYS A 203 18.491 4.603 22.554 1.00 26.02 N ATOM 1402 CA LYS A 203 19.366 4.119 23.660 1.00 27.70 C ATOM 1403 C LYS A 203 20.619 3.409 23.042 1.00 25.74 C ATOM 1404 O LYS A 203 21.690 3.477 23.611 1.00 26.48 O ATOM 1405 CB LYS A 203 18.618 3.207 24.697 1.00 27.54 C ATOM 0 H LYS A 203 17.686 4.301 22.559 1.00 26.02 H new ATOM 0 HA LYS A 203 19.652 4.889 24.176 1.00 27.70 H new ATOM 1406 N MET A 204 20.481 2.757 21.878 1.00 23.52 N ATOM 1407 CA MET A 204 21.580 2.016 21.279 1.00 25.28 C ATOM 1408 C MET A 204 22.723 2.915 20.740 1.00 26.35 C ATOM 1409 O MET A 204 23.816 2.433 20.414 1.00 25.09 O ATOM 1410 CB MET A 204 21.085 1.171 20.103 1.00 25.28 C ATOM 1411 CG MET A 204 20.050 0.109 20.421 1.00 25.75 C ATOM 1412 SD MET A 204 19.520 -0.828 18.955 1.00 23.80 S ATOM 1413 CE MET A 204 18.054 -1.536 19.731 1.00 27.05 C ATOM 0 H MET A 204 19.751 2.737 21.424 1.00 23.52 H new ATOM 0 HA MET A 204 21.929 1.467 21.999 1.00 25.28 H new ATOM 0 HB2 MET A 204 20.712 1.768 19.436 1.00 25.28 H new ATOM 0 HB3 MET A 204 21.852 0.736 19.698 1.00 25.28 H new ATOM 0 HG2 MET A 204 20.415 -0.505 21.077 1.00 25.75 H new ATOM 0 HG3 MET A 204 19.276 0.530 20.827 1.00 25.75 H new ATOM 0 HE1 MET A 204 17.672 -2.210 19.147 1.00 27.05 H new ATOM 0 HE2 MET A 204 18.300 -1.943 20.576 1.00 27.05 H new ATOM 0 HE3 MET A 204 17.401 -0.836 19.888 1.00 27.05 H new ATOM 1414 N LEU A 205 22.454 4.202 20.569 1.00 25.36 N ATOM 1415 CA LEU A 205 23.329 5.072 19.781 1.00 23.58 C ATOM 1416 C LEU A 205 24.190 5.966 20.634 1.00 26.31 C ATOM 1417 O LEU A 205 24.937 6.769 20.107 1.00 27.04 O ATOM 1418 CB LEU A 205 22.454 5.932 18.874 1.00 21.46 C ATOM 1419 CG LEU A 205 21.923 5.075 17.761 1.00 20.73 C ATOM 1420 CD1 LEU A 205 20.766 5.770 17.112 1.00 22.20 C ATOM 1421 CD2 LEU A 205 23.028 4.753 16.730 1.00 21.75 C ATOM 0 H LEU A 205 21.766 4.597 20.902 1.00 25.36 H new ATOM 0 HA LEU A 205 23.930 4.508 19.270 1.00 23.58 H new ATOM 0 HB2 LEU A 205 21.722 6.317 19.380 1.00 21.46 H new ATOM 0 HB3 LEU A 205 22.968 6.671 18.513 1.00 21.46 H new ATOM 0 HG LEU A 205 21.620 4.230 18.129 1.00 20.73 H new ATOM 0 HD11 LEU A 205 20.420 5.220 16.392 1.00 22.20 H new ATOM 0 HD12 LEU A 205 20.068 5.919 17.769 1.00 22.20 H new ATOM 0 HD13 LEU A 205 21.060 6.622 16.754 1.00 22.20 H new ATOM 0 HD21 LEU A 205 22.660 4.200 16.023 1.00 21.75 H new ATOM 0 HD22 LEU A 205 23.367 5.579 16.350 1.00 21.75 H new ATOM 0 HD23 LEU A 205 23.751 4.278 17.168 1.00 21.75 H new ATOM 1422 N LEU A 206 24.092 5.835 21.957 1.00 27.94 N ATOM 1423 CA LEU A 206 24.877 6.683 22.836 1.00 29.38 C ATOM 1424 C LEU A 206 26.338 6.319 22.774 1.00 28.29 C ATOM 1425 O LEU A 206 26.730 5.245 23.241 1.00 29.67 O ATOM 1426 CB LEU A 206 24.393 6.570 24.280 1.00 30.05 C ATOM 1427 CG LEU A 206 25.230 7.326 25.299 1.00 32.18 C ATOM 1428 CD1 LEU A 206 25.181 8.834 25.059 1.00 32.03 C ATOM 1429 CD2 LEU A 206 24.674 6.965 26.666 1.00 34.58 C ATOM 0 H LEU A 206 23.583 5.268 22.356 1.00 27.94 H new ATOM 0 HA LEU A 206 24.763 7.597 22.532 1.00 29.38 H new ATOM 0 HB2 LEU A 206 23.480 6.894 24.327 1.00 30.05 H new ATOM 0 HB3 LEU A 206 24.374 5.633 24.528 1.00 30.05 H new ATOM 0 HG LEU A 206 26.165 7.078 25.228 1.00 32.18 H new ATOM 0 HD11 LEU A 206 25.724 9.286 25.724 1.00 32.03 H new ATOM 0 HD12 LEU A 206 25.524 9.032 24.174 1.00 32.03 H new ATOM 0 HD13 LEU A 206 24.264 9.143 25.127 1.00 32.03 H new ATOM 0 HD21 LEU A 206 25.179 7.427 27.353 1.00 34.58 H new ATOM 0 HD22 LEU A 206 23.742 7.231 26.717 1.00 34.58 H new ATOM 0 HD23 LEU A 206 24.745 6.007 26.802 1.00 34.58 H new ATOM 1430 N ILE A 207 27.155 7.228 22.265 1.00 27.07 N ATOM 1431 CA ILE A 207 28.566 6.960 22.182 1.00 29.64 C ATOM 1432 C ILE A 207 29.455 7.832 23.038 1.00 32.66 C ATOM 1433 O ILE A 207 30.560 7.438 23.301 1.00 37.52 O ATOM 1434 CB ILE A 207 29.110 7.026 20.760 1.00 30.50 C ATOM 1435 CG1 ILE A 207 28.828 8.404 20.138 1.00 30.09 C ATOM 1436 CG2 ILE A 207 28.494 5.907 19.910 1.00 32.51 C ATOM 1437 CD1 ILE A 207 29.684 8.603 18.907 1.00 29.18 C ATOM 0 H ILE A 207 26.910 7.996 21.967 1.00 27.07 H new ATOM 0 HA ILE A 207 28.606 6.055 22.529 1.00 29.64 H new ATOM 0 HB ILE A 207 30.071 6.900 20.786 1.00 30.50 H new ATOM 0 HG12 ILE A 207 27.890 8.475 19.903 1.00 30.09 H new ATOM 0 HG13 ILE A 207 29.012 9.103 20.785 1.00 30.09 H new ATOM 0 HG21 ILE A 207 28.845 5.956 19.007 1.00 32.51 H new ATOM 0 HG22 ILE A 207 28.717 5.046 20.297 1.00 32.51 H new ATOM 0 HG23 ILE A 207 27.530 6.011 19.888 1.00 32.51 H new ATOM 0 HD11 ILE A 207 29.500 9.474 18.522 1.00 29.18 H new ATOM 0 HD12 ILE A 207 30.621 8.550 19.152 1.00 29.18 H new ATOM 0 HD13 ILE A 207 29.481 7.913 18.256 1.00 29.18 H new ATOM 1438 N LYS A 208 29.021 8.989 23.509 1.00 37.37 N ATOM 1439 CA LYS A 208 29.900 9.747 24.360 1.00 33.49 C ATOM 1440 C LYS A 208 29.167 10.724 25.239 1.00 37.97 C ATOM 1441 O LYS A 208 28.076 11.193 24.908 1.00 33.61 O ATOM 1442 CB LYS A 208 30.897 10.477 23.495 1.00 38.92 C ATOM 1443 CG LYS A 208 32.126 10.924 24.235 1.00 42.13 C ATOM 1444 CD LYS A 208 33.172 11.437 23.285 1.00 48.46 C ATOM 1445 CE LYS A 208 34.292 12.168 24.036 1.00 51.75 C ATOM 1446 NZ LYS A 208 35.376 11.187 24.265 1.00 55.54 N ATOM 0 H LYS A 208 28.251 9.338 23.353 1.00 37.37 H new ATOM 0 HA LYS A 208 30.348 9.125 24.955 1.00 33.49 H new ATOM 0 HB2 LYS A 208 31.162 9.899 22.763 1.00 38.92 H new ATOM 0 HB3 LYS A 208 30.466 11.252 23.102 1.00 38.92 H new ATOM 0 HG2 LYS A 208 31.891 11.620 24.868 1.00 42.13 H new ATOM 0 HG3 LYS A 208 32.486 10.183 24.748 1.00 42.13 H new ATOM 0 HD2 LYS A 208 33.546 10.697 22.781 1.00 48.46 H new ATOM 0 HD3 LYS A 208 32.763 12.039 22.644 1.00 48.46 H new ATOM 0 HE2 LYS A 208 34.616 12.922 23.519 1.00 51.75 H new ATOM 0 HE3 LYS A 208 33.966 12.521 24.879 1.00 51.75 H new ATOM 0 HZ1 LYS A 208 36.045 11.580 24.701 1.00 55.54 H new ATOM 0 HZ2 LYS A 208 35.065 10.508 24.749 1.00 55.54 H new ATOM 0 HZ3 LYS A 208 35.671 10.882 23.483 1.00 55.54 H new ATOM 1447 N GLU A 209 29.790 11.039 26.370 1.00 42.86 N ATOM 1448 CA GLU A 209 29.304 12.068 27.271 1.00 42.94 C ATOM 1449 C GLU A 209 30.421 13.037 27.526 1.00 39.62 C ATOM 1450 O GLU A 209 31.485 12.635 27.828 1.00 41.04 O ATOM 1451 CB GLU A 209 28.810 11.460 28.559 1.00 42.30 C ATOM 1452 CG GLU A 209 27.483 10.777 28.318 1.00 49.40 C ATOM 1453 CD GLU A 209 26.838 10.210 29.580 1.00 55.27 C ATOM 1454 OE1 GLU A 209 26.750 10.958 30.582 1.00 51.85 O ATOM 1455 OE2 GLU A 209 26.400 9.036 29.541 1.00 53.17 O ATOM 0 H GLU A 209 30.513 10.656 26.635 1.00 42.86 H new ATOM 0 HA GLU A 209 28.554 12.533 26.868 1.00 42.94 H new ATOM 0 HB2 GLU A 209 29.457 10.821 28.895 1.00 42.30 H new ATOM 0 HB3 GLU A 209 28.712 12.148 29.236 1.00 42.30 H new ATOM 0 HG2 GLU A 209 26.872 11.411 27.911 1.00 49.40 H new ATOM 0 HG3 GLU A 209 27.611 10.057 27.680 1.00 49.40 H new ATOM 1456 N VAL A 210 30.154 14.315 27.384 1.00 42.00 N ATOM 1457 CA VAL A 210 31.154 15.356 27.544 1.00 49.06 C ATOM 1458 C VAL A 210 30.476 16.476 28.326 1.00 48.72 C ATOM 1459 O VAL A 210 29.451 16.998 27.863 1.00 47.12 O ATOM 1460 CB VAL A 210 31.534 15.895 26.154 1.00 55.84 C ATOM 1461 CG1 VAL A 210 32.507 17.055 26.265 1.00 62.90 C ATOM 1462 CG2 VAL A 210 32.104 14.775 25.306 1.00 58.83 C ATOM 0 H VAL A 210 29.372 14.614 27.188 1.00 42.00 H new ATOM 0 HA VAL A 210 31.948 15.026 27.993 1.00 49.06 H new ATOM 0 HB VAL A 210 30.734 16.232 25.721 1.00 55.84 H new ATOM 0 HG11 VAL A 210 32.731 17.376 25.377 1.00 62.90 H new ATOM 0 HG12 VAL A 210 32.099 17.772 26.775 1.00 62.90 H new ATOM 0 HG13 VAL A 210 33.314 16.759 26.714 1.00 62.90 H new ATOM 0 HG21 VAL A 210 32.342 15.120 24.431 1.00 58.83 H new ATOM 0 HG22 VAL A 210 32.895 14.413 25.736 1.00 58.83 H new ATOM 0 HG23 VAL A 210 31.441 14.074 25.207 1.00 58.83 H new ATOM 1463 N ASN A 211 30.975 16.799 29.521 1.00 55.90 N ATOM 1464 CA ASN A 211 30.388 17.878 30.373 1.00 56.22 C ATOM 1465 C ASN A 211 28.838 18.040 30.344 1.00 52.42 C ATOM 1466 O ASN A 211 28.371 19.112 29.947 1.00 55.89 O ATOM 1467 CB ASN A 211 31.006 19.227 29.945 1.00 61.11 C ATOM 1468 CG ASN A 211 32.536 19.201 29.938 1.00 68.99 C ATOM 1469 OD1 ASN A 211 33.165 18.756 30.901 1.00 67.99 O ATOM 1470 ND2 ASN A 211 33.139 19.662 28.842 1.00 72.81 N ATOM 0 H ASN A 211 31.658 16.410 29.871 1.00 55.90 H new ATOM 0 HA ASN A 211 30.599 17.610 31.281 1.00 56.22 H new ATOM 0 HB2 ASN A 211 30.686 19.458 29.059 1.00 61.11 H new ATOM 0 HB3 ASN A 211 30.701 19.924 30.547 1.00 61.11 H new ATOM 0 HD21 ASN A 211 33.997 19.656 28.789 1.00 72.81 H new ATOM 0 HD22 ASN A 211 32.670 19.965 28.188 1.00 72.81 H new ATOM 1471 N GLY A 212 28.043 17.027 30.734 1.00 44.37 N ATOM 1472 CA GLY A 212 26.544 17.114 30.621 1.00 43.50 C ATOM 1473 C GLY A 212 25.841 16.976 29.238 1.00 44.63 C ATOM 1474 O GLY A 212 24.582 16.911 29.138 1.00 45.95 O ATOM 0 H GLY A 212 28.333 16.287 31.063 1.00 44.37 H new ATOM 0 HA2 GLY A 212 26.174 16.428 31.199 1.00 43.50 H new ATOM 0 HA3 GLY A 212 26.279 17.970 30.992 1.00 43.50 H new ATOM 1475 N SER A 213 26.634 16.978 28.167 1.00 41.45 N ATOM 1476 CA SER A 213 26.144 16.786 26.806 1.00 43.44 C ATOM 1477 C SER A 213 26.260 15.307 26.453 1.00 43.14 C ATOM 1478 O SER A 213 27.195 14.601 26.878 1.00 39.35 O ATOM 1479 CB SER A 213 26.997 17.578 25.802 1.00 43.63 C ATOM 1480 OG SER A 213 26.751 18.962 25.883 1.00 45.14 O ATOM 0 H SER A 213 27.485 17.093 28.213 1.00 41.45 H new ATOM 0 HA SER A 213 25.225 17.093 26.760 1.00 43.44 H new ATOM 0 HB2 SER A 213 27.937 17.406 25.970 1.00 43.63 H new ATOM 0 HB3 SER A 213 26.808 17.268 24.902 1.00 43.63 H new ATOM 0 HG SER A 213 26.168 19.109 26.470 1.00 45.14 H new ATOM 1481 N LYS A 214 25.341 14.837 25.641 1.00 38.95 N ATOM 1482 CA LYS A 214 25.476 13.471 25.159 1.00 38.49 C ATOM 1483 C LYS A 214 25.427 13.419 23.684 1.00 32.78 C ATOM 1484 O LYS A 214 24.640 14.110 23.053 1.00 34.71 O ATOM 1485 CB LYS A 214 24.370 12.601 25.688 1.00 40.30 C ATOM 1486 CG LYS A 214 24.344 12.628 27.191 1.00 44.93 C ATOM 1487 CD LYS A 214 22.935 12.320 27.705 1.00 51.35 C ATOM 1488 CE LYS A 214 22.759 10.842 27.974 1.00 48.19 C ATOM 1489 NZ LYS A 214 22.190 10.723 29.326 1.00 53.19 N ATOM 0 H LYS A 214 24.652 15.269 25.361 1.00 38.95 H new ATOM 0 HA LYS A 214 26.335 13.147 25.473 1.00 38.49 H new ATOM 0 HB2 LYS A 214 23.518 12.906 25.340 1.00 40.30 H new ATOM 0 HB3 LYS A 214 24.493 11.690 25.379 1.00 40.30 H new ATOM 0 HG2 LYS A 214 24.972 11.978 27.543 1.00 44.93 H new ATOM 0 HG3 LYS A 214 24.628 13.499 27.510 1.00 44.93 H new ATOM 0 HD2 LYS A 214 22.769 12.821 28.519 1.00 51.35 H new ATOM 0 HD3 LYS A 214 22.279 12.612 27.053 1.00 51.35 H new ATOM 0 HE2 LYS A 214 22.170 10.440 27.316 1.00 48.19 H new ATOM 0 HE3 LYS A 214 23.609 10.378 27.916 1.00 48.19 H new ATOM 0 HZ1 LYS A 214 22.071 9.863 29.523 1.00 53.19 H new ATOM 0 HZ2 LYS A 214 22.747 11.088 29.916 1.00 53.19 H new ATOM 0 HZ3 LYS A 214 21.407 11.146 29.357 1.00 53.19 H new ATOM 1490 N ILE A 215 26.251 12.546 23.154 1.00 30.92 N ATOM 1491 CA ILE A 215 26.427 12.383 21.747 1.00 30.47 C ATOM 1492 C ILE A 215 25.906 11.026 21.361 1.00 28.91 C ATOM 1493 O ILE A 215 26.421 10.025 21.820 1.00 31.00 O ATOM 1494 CB ILE A 215 27.915 12.561 21.369 1.00 32.54 C ATOM 1495 CG1 ILE A 215 28.401 13.985 21.729 1.00 34.17 C ATOM 1496 CG2 ILE A 215 28.059 12.445 19.882 1.00 34.81 C ATOM 1497 CD1 ILE A 215 29.895 14.187 21.583 1.00 34.85 C ATOM 0 H ILE A 215 26.738 12.016 23.625 1.00 30.92 H new ATOM 0 HA ILE A 215 25.931 13.060 21.260 1.00 30.47 H new ATOM 0 HB ILE A 215 28.426 11.888 21.845 1.00 32.54 H new ATOM 0 HG12 ILE A 215 27.942 14.625 21.163 1.00 34.17 H new ATOM 0 HG13 ILE A 215 28.146 14.181 22.644 1.00 34.17 H new ATOM 0 HG21 ILE A 215 28.991 12.556 19.637 1.00 34.81 H new ATOM 0 HG22 ILE A 215 27.751 11.571 19.594 1.00 34.81 H new ATOM 0 HG23 ILE A 215 27.528 13.133 19.451 1.00 34.81 H new ATOM 0 HD11 ILE A 215 30.124 15.098 21.825 1.00 34.85 H new ATOM 0 HD12 ILE A 215 30.364 13.571 22.167 1.00 34.85 H new ATOM 0 HD13 ILE A 215 30.156 14.022 20.663 1.00 34.85 H new ATOM 1498 N TYR A 216 24.825 11.039 20.588 1.00 27.62 N ATOM 1499 CA TYR A 216 24.251 9.895 19.913 1.00 27.45 C ATOM 1500 C TYR A 216 24.694 9.857 18.475 1.00 28.13 C ATOM 1501 O TYR A 216 24.641 10.852 17.814 1.00 31.61 O ATOM 1502 CB TYR A 216 22.737 10.010 19.963 1.00 27.25 C ATOM 1503 CG TYR A 216 22.197 9.895 21.418 1.00 28.58 C ATOM 1504 CD1 TYR A 216 22.106 11.006 22.262 1.00 29.58 C ATOM 1505 CD2 TYR A 216 21.801 8.650 21.934 1.00 29.52 C ATOM 1506 CE1 TYR A 216 21.612 10.883 23.567 1.00 30.93 C ATOM 1507 CE2 TYR A 216 21.342 8.498 23.216 1.00 30.53 C ATOM 1508 CZ TYR A 216 21.257 9.629 24.047 1.00 35.83 C ATOM 1509 OH TYR A 216 20.797 9.469 25.351 1.00 36.24 O ATOM 0 H TYR A 216 24.385 11.762 20.438 1.00 27.62 H new ATOM 0 HA TYR A 216 24.546 9.083 20.353 1.00 27.45 H new ATOM 0 HB2 TYR A 216 22.464 10.860 19.583 1.00 27.25 H new ATOM 0 HB3 TYR A 216 22.341 9.314 19.415 1.00 27.25 H new ATOM 0 HD1 TYR A 216 22.378 11.840 21.952 1.00 29.58 H new ATOM 0 HD2 TYR A 216 21.852 7.901 21.385 1.00 29.52 H new ATOM 0 HE1 TYR A 216 21.523 11.635 24.107 1.00 30.93 H new ATOM 0 HE2 TYR A 216 21.091 7.660 23.532 1.00 30.53 H new ATOM 0 HH TYR A 216 20.624 8.659 25.490 1.00 36.24 H new ATOM 1510 N ALA A 217 25.140 8.720 17.958 1.00 31.66 N ATOM 1511 CA ALA A 217 25.646 8.670 16.570 1.00 29.58 C ATOM 1512 C ALA A 217 25.928 7.265 16.046 1.00 27.17 C ATOM 1513 O ALA A 217 26.267 6.384 16.818 1.00 23.83 O ATOM 1514 CB ALA A 217 26.915 9.458 16.462 1.00 28.19 C ATOM 0 H ALA A 217 25.163 7.970 18.379 1.00 31.66 H new ATOM 0 HA ALA A 217 24.933 9.043 16.029 1.00 29.58 H new ATOM 0 HB1 ALA A 217 27.242 9.422 15.550 1.00 28.19 H new ATOM 0 HB2 ALA A 217 26.745 10.381 16.707 1.00 28.19 H new ATOM 0 HB3 ALA A 217 27.581 9.083 17.059 1.00 28.19 H new ATOM 1515 N LYS A 218 25.879 7.122 14.718 1.00 22.67 N ATOM 1516 CA LYS A 218 26.354 5.927 14.073 1.00 22.40 C ATOM 1517 C LYS A 218 27.320 6.259 12.922 1.00 23.64 C ATOM 1518 O LYS A 218 27.068 7.153 12.094 1.00 24.55 O ATOM 1519 CB LYS A 218 25.176 5.118 13.550 1.00 21.25 C ATOM 1520 CG LYS A 218 25.541 3.844 12.824 1.00 22.80 C ATOM 1521 CD LYS A 218 25.981 2.751 13.779 1.00 25.90 C ATOM 1522 CE LYS A 218 26.690 1.582 13.081 1.00 26.58 C ATOM 1523 NZ LYS A 218 28.162 1.850 12.885 1.00 27.79 N ATOM 0 H LYS A 218 25.569 7.718 14.181 1.00 22.67 H new ATOM 0 HA LYS A 218 26.840 5.402 14.729 1.00 22.40 H new ATOM 0 HB2 LYS A 218 24.599 4.894 14.297 1.00 21.25 H new ATOM 0 HB3 LYS A 218 24.659 5.678 12.950 1.00 21.25 H new ATOM 0 HG2 LYS A 218 24.778 3.536 12.310 1.00 22.80 H new ATOM 0 HG3 LYS A 218 26.254 4.026 12.192 1.00 22.80 H new ATOM 0 HD2 LYS A 218 26.576 3.132 14.443 1.00 25.90 H new ATOM 0 HD3 LYS A 218 25.205 2.413 14.253 1.00 25.90 H new ATOM 0 HE2 LYS A 218 26.576 0.775 13.607 1.00 26.58 H new ATOM 0 HE3 LYS A 218 26.274 1.420 12.220 1.00 26.58 H new ATOM 0 HZ1 LYS A 218 28.525 1.187 12.415 1.00 27.79 H new ATOM 0 HZ2 LYS A 218 28.268 2.617 12.446 1.00 27.79 H new ATOM 0 HZ3 LYS A 218 28.562 1.905 13.678 1.00 27.79 H new ATOM 1524 N SER A 219 28.395 5.475 12.856 1.00 22.99 N ATOM 1525 CA SER A 219 29.449 5.622 11.889 1.00 23.68 C ATOM 1526 C SER A 219 29.110 4.760 10.697 1.00 22.99 C ATOM 1527 O SER A 219 28.311 3.832 10.811 1.00 21.28 O ATOM 1528 CB SER A 219 30.793 5.188 12.474 1.00 24.00 C ATOM 1529 OG SER A 219 30.700 3.802 12.815 1.00 25.17 O ATOM 0 H SER A 219 28.524 4.821 13.399 1.00 22.99 H new ATOM 0 HA SER A 219 29.525 6.554 11.630 1.00 23.68 H new ATOM 0 HB2 SER A 219 31.505 5.332 11.831 1.00 24.00 H new ATOM 0 HB3 SER A 219 31.008 5.717 13.258 1.00 24.00 H new ATOM 0 HG SER A 219 31.154 3.349 12.273 1.00 25.17 H new ATOM 1530 N GLY A 220 29.731 5.101 9.564 1.00 21.23 N ATOM 1531 CA GLY A 220 29.626 4.316 8.342 1.00 20.70 C ATOM 1532 C GLY A 220 30.988 4.414 7.617 1.00 22.83 C ATOM 1533 O GLY A 220 31.694 5.411 7.688 1.00 21.56 O ATOM 0 H GLY A 220 30.227 5.800 9.488 1.00 21.23 H new ATOM 0 HA2 GLY A 220 29.412 3.392 8.546 1.00 20.70 H new ATOM 0 HA3 GLY A 220 28.913 4.654 7.778 1.00 20.70 H new ATOM 1534 N TRP A 221 31.335 3.369 6.912 1.00 23.55 N ATOM 1535 CA TRP A 221 32.541 3.329 6.095 1.00 26.45 C ATOM 1536 C TRP A 221 32.231 2.474 4.836 1.00 27.47 C ATOM 1537 O TRP A 221 31.910 1.299 4.942 1.00 23.01 O ATOM 1538 CB TRP A 221 33.612 2.701 6.934 1.00 26.09 C ATOM 1539 CG TRP A 221 34.981 2.825 6.434 1.00 25.94 C ATOM 1540 CD1 TRP A 221 35.366 2.907 5.146 1.00 25.52 C ATOM 1541 CD2 TRP A 221 36.176 2.850 7.222 1.00 25.34 C ATOM 1542 NE1 TRP A 221 36.732 2.960 5.080 1.00 25.40 N ATOM 1543 CE2 TRP A 221 37.253 2.929 6.333 1.00 23.72 C ATOM 1544 CE3 TRP A 221 36.437 2.777 8.593 1.00 27.40 C ATOM 1545 CZ2 TRP A 221 38.561 2.975 6.740 1.00 25.62 C ATOM 1546 CZ3 TRP A 221 37.765 2.812 9.029 1.00 28.12 C ATOM 1547 CH2 TRP A 221 38.816 2.930 8.101 1.00 29.35 C ATOM 0 H TRP A 221 30.875 2.643 6.887 1.00 23.55 H new ATOM 0 HA TRP A 221 32.832 4.208 5.806 1.00 26.45 H new ATOM 0 HB2 TRP A 221 33.574 3.094 7.820 1.00 26.09 H new ATOM 0 HB3 TRP A 221 33.408 1.758 7.033 1.00 26.09 H new ATOM 0 HD1 TRP A 221 34.792 2.925 4.414 1.00 25.52 H new ATOM 0 HE1 TRP A 221 37.191 3.006 4.354 1.00 25.40 H new ATOM 0 HE3 TRP A 221 35.740 2.706 9.204 1.00 27.40 H new ATOM 0 HZ2 TRP A 221 39.254 3.034 6.123 1.00 25.62 H new ATOM 0 HZ3 TRP A 221 37.955 2.757 9.938 1.00 28.12 H new ATOM 0 HH2 TRP A 221 39.693 2.978 8.405 1.00 29.35 H new ATOM 1548 N GLY A 222 32.234 3.108 3.662 1.00 32.40 N ATOM 1549 CA GLY A 222 31.864 2.436 2.424 1.00 31.76 C ATOM 1550 C GLY A 222 32.852 1.411 1.867 1.00 34.90 C ATOM 1551 O GLY A 222 33.976 1.198 2.395 1.00 37.16 O ATOM 0 H GLY A 222 32.450 3.935 3.565 1.00 32.40 H new ATOM 0 HA2 GLY A 222 31.015 1.989 2.566 1.00 31.76 H new ATOM 0 HA3 GLY A 222 31.718 3.114 1.745 1.00 31.76 H new ATOM 1552 N MET A 223 32.398 0.716 0.829 1.00 41.48 N ATOM 1553 CA MET A 223 33.183 -0.365 0.164 1.00 48.90 C ATOM 1554 C MET A 223 34.250 0.218 -0.772 1.00 50.29 C ATOM 1555 O MET A 223 34.282 1.428 -1.047 1.00 57.60 O ATOM 1556 CB MET A 223 32.239 -1.232 -0.682 1.00 53.37 C ATOM 1557 CG MET A 223 31.493 -0.392 -1.733 1.00 63.46 C ATOM 1558 SD MET A 223 30.789 -1.171 -3.205 1.00 86.03 S ATOM 1559 CE MET A 223 31.994 -2.463 -3.600 1.00 78.06 C ATOM 0 H MET A 223 31.624 0.847 0.477 1.00 41.48 H new ATOM 0 HA MET A 223 33.615 -0.888 0.857 1.00 48.90 H new ATOM 0 HB2 MET A 223 32.748 -1.929 -1.125 1.00 53.37 H new ATOM 0 HB3 MET A 223 31.597 -1.673 -0.104 1.00 53.37 H new ATOM 0 HG2 MET A 223 30.768 0.060 -1.275 1.00 63.46 H new ATOM 0 HG3 MET A 223 32.107 0.294 -2.039 1.00 63.46 H new ATOM 0 HE1 MET A 223 31.839 -2.786 -4.501 1.00 78.06 H new ATOM 0 HE2 MET A 223 32.891 -2.099 -3.538 1.00 78.06 H new ATOM 0 HE3 MET A 223 31.899 -3.197 -2.973 1.00 78.06 H new ATOM 1560 N GLY A 224 35.089 -0.662 -1.306 1.00 51.83 N ATOM 1561 CA GLY A 224 35.873 -0.376 -2.515 1.00 41.17 C ATOM 1562 C GLY A 224 37.296 -0.092 -2.120 1.00 46.23 C ATOM 1563 O GLY A 224 37.670 -0.198 -0.923 1.00 42.16 O ATOM 0 H GLY A 224 35.224 -1.446 -0.980 1.00 51.83 H new ATOM 0 HA2 GLY A 224 35.838 -1.131 -3.123 1.00 41.17 H new ATOM 0 HA3 GLY A 224 35.498 0.385 -2.986 1.00 41.17 H new ATOM 1564 N VAL A 225 38.104 0.279 -3.111 1.00 48.63 N ATOM 1565 CA VAL A 225 39.533 0.588 -2.863 1.00 56.45 C ATOM 1566 C VAL A 225 39.546 2.014 -2.338 1.00 52.93 C ATOM 1567 O VAL A 225 38.554 2.744 -2.517 1.00 53.18 O ATOM 1568 CB VAL A 225 40.434 0.418 -4.137 1.00 56.74 C ATOM 1569 CG1 VAL A 225 40.151 -0.936 -4.810 1.00 54.54 C ATOM 1570 CG2 VAL A 225 40.242 1.577 -5.120 1.00 57.34 C ATOM 0 H VAL A 225 37.857 0.360 -3.931 1.00 48.63 H new ATOM 0 HA VAL A 225 39.916 -0.036 -2.227 1.00 56.45 H new ATOM 0 HB VAL A 225 41.362 0.434 -3.856 1.00 56.74 H new ATOM 0 HG11 VAL A 225 40.712 -1.031 -5.595 1.00 54.54 H new ATOM 0 HG12 VAL A 225 40.344 -1.654 -4.187 1.00 54.54 H new ATOM 0 HG13 VAL A 225 39.218 -0.978 -5.073 1.00 54.54 H new ATOM 0 HG21 VAL A 225 40.811 1.443 -5.894 1.00 57.34 H new ATOM 0 HG22 VAL A 225 39.315 1.612 -5.403 1.00 57.34 H new ATOM 0 HG23 VAL A 225 40.479 2.412 -4.686 1.00 57.34 H new ATOM 1571 N THR A 226 40.634 2.397 -1.679 1.00 54.25 N ATOM 1572 CA THR A 226 40.745 3.758 -1.183 1.00 60.79 C ATOM 1573 C THR A 226 40.784 4.741 -2.360 1.00 61.64 C ATOM 1574 O THR A 226 41.317 4.424 -3.423 1.00 56.30 O ATOM 1575 CB THR A 226 41.940 3.954 -0.261 1.00 60.97 C ATOM 1576 OG1 THR A 226 43.138 3.657 -0.981 1.00 65.02 O ATOM 1577 CG2 THR A 226 41.815 3.012 0.968 1.00 63.86 C ATOM 0 H THR A 226 41.309 1.891 -1.511 1.00 54.25 H new ATOM 0 HA THR A 226 39.959 3.937 -0.644 1.00 60.79 H new ATOM 0 HB THR A 226 41.967 4.873 0.049 1.00 60.97 H new ATOM 0 HG1 THR A 226 43.802 3.765 -0.478 1.00 65.02 H new ATOM 0 HG21 THR A 226 42.578 3.140 1.553 1.00 63.86 H new ATOM 0 HG22 THR A 226 41.000 3.217 1.452 1.00 63.86 H new ATOM 0 HG23 THR A 226 41.789 2.090 0.668 1.00 63.86 H new ATOM 1578 N PRO A 227 40.161 5.924 -2.180 1.00 65.25 N ATOM 1579 CA PRO A 227 39.449 6.280 -0.937 1.00 55.68 C ATOM 1580 C PRO A 227 37.994 5.772 -0.951 1.00 45.05 C ATOM 1581 O PRO A 227 37.392 5.643 -2.013 1.00 44.47 O ATOM 1582 CB PRO A 227 39.462 7.811 -0.979 1.00 56.88 C ATOM 1583 CG PRO A 227 39.434 8.153 -2.455 1.00 53.68 C ATOM 1584 CD PRO A 227 39.986 6.964 -3.222 1.00 57.73 C ATOM 0 HA PRO A 227 39.857 5.894 -0.146 1.00 55.68 H new ATOM 0 HB2 PRO A 227 38.695 8.183 -0.516 1.00 56.88 H new ATOM 0 HB3 PRO A 227 40.254 8.169 -0.549 1.00 56.88 H new ATOM 0 HG2 PRO A 227 38.528 8.350 -2.740 1.00 53.68 H new ATOM 0 HG3 PRO A 227 39.965 8.946 -2.630 1.00 53.68 H new ATOM 0 HD2 PRO A 227 39.375 6.673 -3.917 1.00 57.73 H new ATOM 0 HD3 PRO A 227 40.827 7.179 -3.656 1.00 57.73 H new ATOM 1585 N GLN A 228 37.431 5.534 0.231 1.00 44.07 N ATOM 1586 CA AGLN A 228 36.012 5.182 0.414 0.50 36.91 C ATOM 1587 CA BGLN A 228 36.011 5.228 0.338 0.50 37.92 C ATOM 1588 C GLN A 228 35.261 6.329 1.127 1.00 33.30 C ATOM 1589 O GLN A 228 35.869 7.168 1.744 1.00 32.90 O ATOM 1590 CB AGLN A 228 35.892 3.914 1.278 0.50 38.44 C ATOM 1591 CB BGLN A 228 35.866 3.849 0.970 0.50 41.09 C ATOM 1592 CG AGLN A 228 36.586 2.647 0.763 0.50 36.94 C ATOM 1593 CG BGLN A 228 36.719 3.608 2.205 0.50 40.70 C ATOM 1594 CD AGLN A 228 37.881 2.364 1.519 0.50 36.15 C ATOM 1595 CD BGLN A 228 38.180 3.240 1.930 0.50 40.86 C ATOM 1596 OE1AGLN A 228 38.172 2.992 2.532 0.50 32.14 O ATOM 1597 OE1BGLN A 228 39.095 3.728 2.601 0.50 42.25 O ATOM 1598 NE2AGLN A 228 38.661 1.428 1.021 0.50 35.58 N ATOM 1599 NE2BGLN A 228 38.399 2.358 0.964 0.50 41.22 N ATOM 0 H AGLN A 228 37.869 5.572 0.970 0.50 44.07 H new ATOM 0 H BGLN A 228 37.854 5.545 0.980 0.50 44.07 H new ATOM 0 HA AGLN A 228 35.623 5.029 -0.461 0.50 37.92 H new ATOM 0 HA BGLN A 228 35.602 5.211 -0.542 0.50 37.92 H new ATOM 0 HB2AGLN A 228 36.247 4.115 2.158 0.50 41.09 H new ATOM 0 HB2BGLN A 228 34.935 3.714 1.207 0.50 41.09 H new ATOM 0 HB3AGLN A 228 34.949 3.716 1.391 0.50 41.09 H new ATOM 0 HB3BGLN A 228 36.090 3.179 0.305 0.50 41.09 H new ATOM 0 HG2AGLN A 228 35.986 1.890 0.854 0.50 40.70 H new ATOM 0 HG2BGLN A 228 36.700 4.407 2.754 0.50 40.70 H new ATOM 0 HG3AGLN A 228 36.778 2.745 -0.183 0.50 40.70 H new ATOM 0 HG3BGLN A 228 36.314 2.897 2.726 0.50 40.70 H new ATOM 0 HE21AGLN A 228 38.426 1.007 0.309 0.50 41.22 H new ATOM 0 HE21BGLN A 228 37.738 2.038 0.516 0.50 41.22 H new ATOM 0 HE22AGLN A 228 39.405 1.238 1.408 0.50 41.22 H new ATOM 0 HE22BGLN A 228 39.202 2.106 0.786 0.50 41.22 H new ATOM 1600 N VAL A 229 33.936 6.348 1.076 1.00 30.42 N ATOM 1601 CA VAL A 229 33.153 7.291 1.918 1.00 33.90 C ATOM 1602 C VAL A 229 33.133 6.953 3.448 1.00 27.93 C ATOM 1603 O VAL A 229 33.016 5.795 3.833 1.00 29.58 O ATOM 1604 CB VAL A 229 31.664 7.453 1.456 1.00 32.14 C ATOM 1605 CG1 VAL A 229 30.834 6.194 1.682 1.00 34.45 C ATOM 1606 CG2 VAL A 229 31.034 8.597 2.211 1.00 31.87 C ATOM 0 H VAL A 229 33.463 5.836 0.572 1.00 30.42 H new ATOM 0 HA VAL A 229 33.638 8.121 1.790 1.00 33.90 H new ATOM 0 HB VAL A 229 31.676 7.626 0.502 1.00 32.14 H new ATOM 0 HG11 VAL A 229 29.925 6.347 1.381 1.00 34.45 H new ATOM 0 HG12 VAL A 229 31.220 5.458 1.183 1.00 34.45 H new ATOM 0 HG13 VAL A 229 30.828 5.975 2.627 1.00 34.45 H new ATOM 0 HG21 VAL A 229 30.112 8.702 1.929 1.00 31.87 H new ATOM 0 HG22 VAL A 229 31.062 8.411 3.163 1.00 31.87 H new ATOM 0 HG23 VAL A 229 31.523 9.414 2.027 1.00 31.87 H new ATOM 1607 N GLY A 230 33.163 7.979 4.281 1.00 25.99 N ATOM 1608 CA GLY A 230 33.034 7.846 5.728 1.00 24.63 C ATOM 1609 C GLY A 230 31.923 8.716 6.258 1.00 23.09 C ATOM 1610 O GLY A 230 31.706 9.823 5.783 1.00 21.33 O ATOM 0 H GLY A 230 33.261 8.792 4.019 1.00 25.99 H new ATOM 0 HA2 GLY A 230 32.860 6.919 5.956 1.00 24.63 H new ATOM 0 HA3 GLY A 230 33.871 8.090 6.154 1.00 24.63 H new ATOM 1611 N TRP A 231 31.231 8.228 7.291 1.00 21.64 N ATOM 1612 CA TRP A 231 30.129 8.933 7.840 1.00 19.87 C ATOM 1613 C TRP A 231 30.200 8.949 9.338 1.00 22.41 C ATOM 1614 O TRP A 231 30.646 7.983 9.953 1.00 21.71 O ATOM 1615 CB TRP A 231 28.860 8.223 7.534 1.00 20.01 C ATOM 1616 CG TRP A 231 28.276 8.244 6.150 1.00 20.00 C ATOM 1617 CD1 TRP A 231 28.316 7.254 5.262 1.00 19.12 C ATOM 1618 CD2 TRP A 231 27.507 9.278 5.561 1.00 19.98 C ATOM 1619 NE1 TRP A 231 27.599 7.576 4.135 1.00 19.21 N ATOM 1620 CE2 TRP A 231 27.080 8.812 4.293 1.00 20.09 C ATOM 1621 CE3 TRP A 231 27.098 10.524 5.984 1.00 19.81 C ATOM 1622 CZ2 TRP A 231 26.263 9.555 3.446 1.00 20.65 C ATOM 1623 CZ3 TRP A 231 26.287 11.269 5.149 1.00 20.16 C ATOM 1624 CH2 TRP A 231 25.889 10.779 3.877 1.00 21.07 C ATOM 0 H TRP A 231 31.404 7.479 7.677 1.00 21.64 H new ATOM 0 HA TRP A 231 30.157 9.827 7.464 1.00 19.87 H new ATOM 0 HB2 TRP A 231 28.991 7.292 7.773 1.00 20.01 H new ATOM 0 HB3 TRP A 231 28.184 8.578 8.133 1.00 20.01 H new ATOM 0 HD1 TRP A 231 28.769 6.451 5.387 1.00 19.12 H new ATOM 0 HE1 TRP A 231 27.498 7.074 3.444 1.00 19.21 H new ATOM 0 HE3 TRP A 231 27.361 10.856 6.812 1.00 19.81 H new ATOM 0 HZ2 TRP A 231 25.987 9.224 2.622 1.00 20.65 H new ATOM 0 HZ3 TRP A 231 25.996 12.108 5.426 1.00 20.16 H new ATOM 0 HH2 TRP A 231 25.360 11.312 3.329 1.00 21.07 H new ATOM 1625 N LEU A 232 29.728 10.041 9.944 1.00 19.91 N ATOM 1626 CA LEU A 232 29.288 9.922 11.321 1.00 20.06 C ATOM 1627 C LEU A 232 28.054 10.791 11.498 1.00 20.47 C ATOM 1628 O LEU A 232 28.108 11.993 11.284 1.00 24.07 O ATOM 1629 CB LEU A 232 30.407 10.277 12.265 1.00 19.39 C ATOM 1630 CG LEU A 232 30.023 10.232 13.748 1.00 20.80 C ATOM 1631 CD1 LEU A 232 29.802 8.766 14.092 1.00 22.53 C ATOM 1632 CD2 LEU A 232 31.093 10.817 14.650 1.00 21.23 C ATOM 0 H LEU A 232 29.658 10.822 9.591 1.00 19.91 H new ATOM 0 HA LEU A 232 29.047 9.007 11.533 1.00 20.06 H new ATOM 0 HB2 LEU A 232 31.147 9.668 12.115 1.00 19.39 H new ATOM 0 HB3 LEU A 232 30.725 11.168 12.051 1.00 19.39 H new ATOM 0 HG LEU A 232 29.228 10.769 13.892 1.00 20.80 H new ATOM 0 HD11 LEU A 232 29.555 8.686 15.027 1.00 22.53 H new ATOM 0 HD12 LEU A 232 29.091 8.407 13.539 1.00 22.53 H new ATOM 0 HD13 LEU A 232 30.619 8.269 13.930 1.00 22.53 H new ATOM 0 HD21 LEU A 232 30.802 10.765 15.574 1.00 21.23 H new ATOM 0 HD22 LEU A 232 31.917 10.316 14.542 1.00 21.23 H new ATOM 0 HD23 LEU A 232 31.246 11.745 14.412 1.00 21.23 H new ATOM 1633 N THR A 233 26.933 10.176 11.772 1.00 20.79 N ATOM 1634 CA THR A 233 25.651 10.852 11.726 1.00 23.28 C ATOM 1635 C THR A 233 24.917 10.644 13.040 1.00 24.68 C ATOM 1636 O THR A 233 24.770 9.494 13.486 1.00 26.92 O ATOM 1637 CB THR A 233 24.770 10.295 10.602 1.00 23.81 C ATOM 1638 OG1 THR A 233 25.315 10.665 9.354 1.00 24.40 O ATOM 1639 CG2 THR A 233 23.346 10.849 10.654 1.00 24.88 C ATOM 0 H THR A 233 26.886 9.346 11.993 1.00 20.79 H new ATOM 0 HA THR A 233 25.820 11.794 11.567 1.00 23.28 H new ATOM 0 HB THR A 233 24.741 9.332 10.716 1.00 23.81 H new ATOM 0 HG1 THR A 233 24.842 10.348 8.736 1.00 24.40 H new ATOM 0 HG21 THR A 233 22.825 10.472 9.928 1.00 24.88 H new ATOM 0 HG22 THR A 233 22.937 10.613 11.501 1.00 24.88 H new ATOM 0 HG23 THR A 233 23.371 11.815 10.566 1.00 24.88 H new ATOM 1640 N GLY A 234 24.468 11.730 13.656 1.00 24.66 N ATOM 1641 CA GLY A 234 23.767 11.631 14.928 1.00 25.91 C ATOM 1642 C GLY A 234 23.326 12.953 15.466 1.00 25.33 C ATOM 1643 O GLY A 234 22.909 13.800 14.712 1.00 25.01 O ATOM 0 H GLY A 234 24.558 12.531 13.356 1.00 24.66 H new ATOM 0 HA2 GLY A 234 22.991 11.059 14.819 1.00 25.91 H new ATOM 0 HA3 GLY A 234 24.347 11.202 15.577 1.00 25.91 H new ATOM 1644 N TRP A 235 23.379 13.128 16.789 1.00 25.01 N ATOM 1645 CA TRP A 235 22.984 14.393 17.380 1.00 23.22 C ATOM 1646 C TRP A 235 23.567 14.560 18.750 1.00 23.32 C ATOM 1647 O TRP A 235 23.958 13.566 19.392 1.00 21.09 O ATOM 1648 CB TRP A 235 21.481 14.517 17.383 1.00 25.78 C ATOM 1649 CG TRP A 235 20.772 13.586 18.334 1.00 27.63 C ATOM 1650 CD1 TRP A 235 20.383 13.864 19.610 1.00 27.17 C ATOM 1651 CD2 TRP A 235 20.366 12.269 18.062 1.00 26.06 C ATOM 1652 NE1 TRP A 235 19.774 12.773 20.160 1.00 30.09 N ATOM 1653 CE2 TRP A 235 19.764 11.768 19.242 1.00 29.78 C ATOM 1654 CE3 TRP A 235 20.451 11.447 16.940 1.00 25.28 C ATOM 1655 CZ2 TRP A 235 19.250 10.483 19.325 1.00 27.45 C ATOM 1656 CZ3 TRP A 235 20.003 10.191 17.012 1.00 25.10 C ATOM 1657 CH2 TRP A 235 19.374 9.694 18.203 1.00 26.13 C ATOM 0 H TRP A 235 23.639 12.530 17.350 1.00 25.01 H new ATOM 0 HA TRP A 235 23.341 15.114 16.838 1.00 23.22 H new ATOM 0 HB2 TRP A 235 21.245 15.430 17.608 1.00 25.78 H new ATOM 0 HB3 TRP A 235 21.154 14.353 16.485 1.00 25.78 H new ATOM 0 HD1 TRP A 235 20.513 14.677 20.042 1.00 27.17 H new ATOM 0 HE1 TRP A 235 19.450 12.728 20.955 1.00 30.09 H new ATOM 0 HE3 TRP A 235 20.816 11.770 16.148 1.00 25.28 H new ATOM 0 HZ2 TRP A 235 18.842 10.170 20.100 1.00 27.45 H new ATOM 0 HZ3 TRP A 235 20.100 9.628 16.278 1.00 25.10 H new ATOM 0 HH2 TRP A 235 19.045 8.824 18.217 1.00 26.13 H new ATOM 1658 N VAL A 236 23.701 15.802 19.190 1.00 22.96 N ATOM 1659 CA VAL A 236 24.000 16.020 20.572 1.00 26.05 C ATOM 1660 C VAL A 236 22.765 16.447 21.318 1.00 30.81 C ATOM 1661 O VAL A 236 21.940 17.261 20.830 1.00 26.02 O ATOM 1662 CB VAL A 236 25.197 16.893 20.897 1.00 30.26 C ATOM 1663 CG1 VAL A 236 25.979 17.333 19.691 1.00 28.39 C ATOM 1664 CG2 VAL A 236 24.788 17.992 21.843 1.00 35.92 C ATOM 0 H VAL A 236 23.623 16.511 18.709 1.00 22.96 H new ATOM 0 HA VAL A 236 24.296 15.151 20.886 1.00 26.05 H new ATOM 0 HB VAL A 236 25.851 16.353 21.367 1.00 30.26 H new ATOM 0 HG11 VAL A 236 26.725 17.885 19.973 1.00 28.39 H new ATOM 0 HG12 VAL A 236 26.313 16.554 19.220 1.00 28.39 H new ATOM 0 HG13 VAL A 236 25.404 17.845 19.101 1.00 28.39 H new ATOM 0 HG21 VAL A 236 25.557 18.547 22.047 1.00 35.92 H new ATOM 0 HG22 VAL A 236 24.099 18.535 21.430 1.00 35.92 H new ATOM 0 HG23 VAL A 236 24.444 17.603 22.662 1.00 35.92 H new ATOM 1665 N GLU A 237 22.577 15.793 22.465 1.00 32.35 N ATOM 1666 CA GLU A 237 21.522 16.175 23.410 1.00 34.40 C ATOM 1667 C GLU A 237 22.189 16.953 24.548 1.00 33.31 C ATOM 1668 O GLU A 237 22.990 16.410 25.310 1.00 33.77 O ATOM 1669 CB GLU A 237 20.794 14.953 23.940 1.00 41.46 C ATOM 1670 CG GLU A 237 19.610 15.375 24.817 1.00 52.09 C ATOM 1671 CD GLU A 237 18.996 14.246 25.624 1.00 51.12 C ATOM 1672 OE1 GLU A 237 18.987 13.101 25.169 1.00 59.05 O ATOM 1673 OE2 GLU A 237 18.482 14.525 26.709 1.00 58.80 O ATOM 0 H GLU A 237 23.052 15.122 22.717 1.00 32.35 H new ATOM 0 HA GLU A 237 20.856 16.725 22.968 1.00 34.40 H new ATOM 0 HB2 GLU A 237 20.479 14.411 23.200 1.00 41.46 H new ATOM 0 HB3 GLU A 237 21.405 14.403 24.454 1.00 41.46 H new ATOM 0 HG2 GLU A 237 19.904 16.071 25.426 1.00 52.09 H new ATOM 0 HG3 GLU A 237 18.925 15.764 24.251 1.00 52.09 H new ATOM 1674 N GLN A 238 21.938 18.251 24.588 1.00 33.85 N ATOM 1675 CA GLN A 238 22.526 19.127 25.600 1.00 35.95 C ATOM 1676 C GLN A 238 21.826 18.919 26.950 1.00 38.64 C ATOM 1677 O GLN A 238 20.692 18.441 26.971 1.00 37.28 O ATOM 1678 CB GLN A 238 22.383 20.592 25.147 1.00 36.38 C ATOM 1679 CG GLN A 238 23.552 21.030 24.293 1.00 42.62 C ATOM 1680 CD GLN A 238 23.335 22.314 23.473 1.00 42.28 C ATOM 1681 OE1 GLN A 238 22.229 22.781 23.263 1.00 49.94 O ATOM 1682 NE2 GLN A 238 24.421 22.834 22.948 1.00 41.79 N ATOM 0 H GLN A 238 21.422 18.654 24.031 1.00 33.85 H new ATOM 0 HA GLN A 238 23.466 18.913 25.706 1.00 35.95 H new ATOM 0 HB2 GLN A 238 21.559 20.697 24.646 1.00 36.38 H new ATOM 0 HB3 GLN A 238 22.317 21.167 25.926 1.00 36.38 H new ATOM 0 HG2 GLN A 238 24.321 21.160 24.869 1.00 42.62 H new ATOM 0 HG3 GLN A 238 23.773 20.309 23.682 1.00 42.62 H new ATOM 0 HE21 GLN A 238 25.189 22.484 23.113 1.00 41.79 H new ATOM 0 HE22 GLN A 238 24.364 23.525 22.439 1.00 41.79 H new ATOM 1683 N ALA A 239 22.469 19.355 28.040 1.00 43.97 N ATOM 1684 CA ALA A 239 21.914 19.265 29.418 1.00 47.88 C ATOM 1685 C ALA A 239 20.514 19.825 29.505 1.00 46.64 C ATOM 1686 O ALA A 239 19.644 19.167 30.026 1.00 46.90 O ATOM 1687 CB ALA A 239 22.823 19.945 30.447 1.00 46.57 C ATOM 0 H ALA A 239 23.249 19.717 28.009 1.00 43.97 H new ATOM 0 HA ALA A 239 21.872 18.320 29.631 1.00 47.88 H new ATOM 0 HB1 ALA A 239 22.429 19.866 31.330 1.00 46.57 H new ATOM 0 HB2 ALA A 239 23.694 19.518 30.442 1.00 46.57 H new ATOM 0 HB3 ALA A 239 22.923 20.883 30.221 1.00 46.57 H new ATOM 1688 N ASN A 240 20.272 21.013 28.955 1.00 50.68 N ATOM 1689 CA ASN A 240 18.898 21.628 28.948 1.00 47.69 C ATOM 1690 C ASN A 240 17.851 20.921 28.100 1.00 50.71 C ATOM 1691 O ASN A 240 16.763 21.456 27.927 1.00 50.64 O ATOM 1692 CB ASN A 240 18.971 23.045 28.426 1.00 48.34 C ATOM 1693 CG ASN A 240 19.844 23.141 27.180 1.00 61.78 C ATOM 1694 OD1 ASN A 240 19.398 22.875 26.050 1.00 55.26 O ATOM 1695 ND2 ASN A 240 21.129 23.451 27.391 1.00 62.22 N ATOM 0 H ASN A 240 20.875 21.495 28.576 1.00 50.68 H new ATOM 0 HA ASN A 240 18.617 21.562 29.874 1.00 47.69 H new ATOM 0 HB2 ASN A 240 18.077 23.361 28.221 1.00 48.34 H new ATOM 0 HB3 ASN A 240 19.326 23.627 29.116 1.00 48.34 H new ATOM 0 HD21 ASN A 240 21.680 23.472 26.731 1.00 62.22 H new ATOM 0 HD22 ASN A 240 21.403 23.630 28.186 1.00 62.22 H new ATOM 1696 N GLY A 241 18.179 19.762 27.525 1.00 51.64 N ATOM 1697 CA GLY A 241 17.280 19.072 26.584 1.00 49.85 C ATOM 1698 C GLY A 241 17.323 19.463 25.106 1.00 44.33 C ATOM 1699 O GLY A 241 16.646 18.859 24.280 1.00 41.20 O ATOM 0 H GLY A 241 18.922 19.353 27.666 1.00 51.64 H new ATOM 0 HA2 GLY A 241 17.466 18.122 26.642 1.00 49.85 H new ATOM 0 HA3 GLY A 241 16.371 19.203 26.896 1.00 49.85 H new ATOM 1700 N LYS A 242 18.095 20.472 24.733 1.00 45.14 N ATOM 1701 CA LYS A 242 18.194 20.803 23.301 1.00 42.76 C ATOM 1702 C LYS A 242 18.960 19.715 22.526 1.00 37.70 C ATOM 1703 O LYS A 242 19.994 19.200 23.001 1.00 31.81 O ATOM 1704 CB LYS A 242 18.856 22.167 23.080 1.00 52.63 C ATOM 1705 CG LYS A 242 18.344 22.946 21.859 1.00 61.41 C ATOM 1706 CD LYS A 242 18.747 24.436 21.887 1.00 68.22 C ATOM 1707 CE LYS A 242 19.837 24.814 20.877 1.00 65.81 C ATOM 1708 NZ LYS A 242 19.295 24.924 19.486 1.00 63.35 N ATOM 0 H LYS A 242 18.558 20.967 25.263 1.00 45.14 H new ATOM 0 HA LYS A 242 17.287 20.846 22.960 1.00 42.76 H new ATOM 0 HB2 LYS A 242 18.721 22.709 23.873 1.00 52.63 H new ATOM 0 HB3 LYS A 242 19.812 22.036 22.985 1.00 52.63 H new ATOM 0 HG2 LYS A 242 18.691 22.537 21.051 1.00 61.41 H new ATOM 0 HG3 LYS A 242 17.377 22.878 21.819 1.00 61.41 H new ATOM 0 HD2 LYS A 242 17.960 24.976 21.715 1.00 68.22 H new ATOM 0 HD3 LYS A 242 19.056 24.660 22.779 1.00 68.22 H new ATOM 0 HE2 LYS A 242 20.238 25.659 21.135 1.00 65.81 H new ATOM 0 HE3 LYS A 242 20.542 24.148 20.897 1.00 65.81 H new ATOM 0 HZ1 LYS A 242 19.952 25.144 18.928 1.00 63.35 H new ATOM 0 HZ2 LYS A 242 18.946 24.143 19.240 1.00 63.35 H new ATOM 0 HZ3 LYS A 242 18.664 25.551 19.462 1.00 63.35 H new ATOM 1709 N LYS A 243 18.439 19.405 21.334 1.00 35.44 N ATOM 1710 CA LYS A 243 19.007 18.453 20.403 1.00 36.02 C ATOM 1711 C LYS A 243 19.500 19.086 19.104 1.00 33.89 C ATOM 1712 O LYS A 243 18.743 19.687 18.388 1.00 33.96 O ATOM 1713 CB LYS A 243 17.958 17.395 20.073 1.00 37.30 C ATOM 1714 CG LYS A 243 17.788 16.418 21.215 1.00 41.58 C ATOM 1715 CD LYS A 243 16.374 15.954 21.409 1.00 51.89 C ATOM 1716 CE LYS A 243 16.402 14.888 22.480 1.00 59.98 C ATOM 1717 NZ LYS A 243 15.070 14.299 22.798 1.00 64.97 N ATOM 0 H LYS A 243 17.714 19.764 21.043 1.00 35.44 H new ATOM 0 HA LYS A 243 19.783 18.065 20.837 1.00 36.02 H new ATOM 0 HB2 LYS A 243 17.110 17.825 19.883 1.00 37.30 H new ATOM 0 HB3 LYS A 243 18.219 16.916 19.271 1.00 37.30 H new ATOM 0 HG2 LYS A 243 18.354 15.646 21.056 1.00 41.58 H new ATOM 0 HG3 LYS A 243 18.098 16.834 22.034 1.00 41.58 H new ATOM 0 HD2 LYS A 243 15.804 16.692 21.675 1.00 51.89 H new ATOM 0 HD3 LYS A 243 16.012 15.600 20.582 1.00 51.89 H new ATOM 0 HE2 LYS A 243 16.999 14.177 22.198 1.00 59.98 H new ATOM 0 HE3 LYS A 243 16.777 15.268 23.290 1.00 59.98 H new ATOM 0 HZ1 LYS A 243 15.162 13.682 23.433 1.00 64.97 H new ATOM 0 HZ2 LYS A 243 14.523 14.940 23.084 1.00 64.97 H new ATOM 0 HZ3 LYS A 243 14.729 13.923 22.067 1.00 64.97 H new ATOM 1718 N ILE A 244 20.784 18.877 18.808 1.00 33.13 N ATOM 1719 CA ILE A 244 21.492 19.411 17.674 1.00 26.82 C ATOM 1720 C ILE A 244 22.102 18.276 16.838 1.00 26.75 C ATOM 1721 O ILE A 244 23.172 17.742 17.177 1.00 23.18 O ATOM 1722 CB ILE A 244 22.589 20.336 18.158 1.00 28.97 C ATOM 1723 CG1 ILE A 244 21.943 21.519 18.902 1.00 33.92 C ATOM 1724 CG2 ILE A 244 23.411 20.901 16.988 1.00 27.96 C ATOM 1725 CD1 ILE A 244 22.698 21.908 20.153 1.00 35.86 C ATOM 0 H ILE A 244 21.287 18.386 19.304 1.00 33.13 H new ATOM 0 HA ILE A 244 20.869 19.904 17.117 1.00 26.82 H new ATOM 0 HB ILE A 244 23.179 19.828 18.736 1.00 28.97 H new ATOM 0 HG12 ILE A 244 21.896 22.283 18.307 1.00 33.92 H new ATOM 0 HG13 ILE A 244 21.031 21.288 19.138 1.00 33.92 H new ATOM 0 HG21 ILE A 244 24.103 21.488 17.332 1.00 27.96 H new ATOM 0 HG22 ILE A 244 23.821 20.171 16.498 1.00 27.96 H new ATOM 0 HG23 ILE A 244 22.829 21.401 16.395 1.00 27.96 H new ATOM 0 HD11 ILE A 244 22.251 22.655 20.582 1.00 35.86 H new ATOM 0 HD12 ILE A 244 22.725 21.154 20.763 1.00 35.86 H new ATOM 0 HD13 ILE A 244 23.603 22.165 19.918 1.00 35.86 H new ATOM 1726 N PRO A 245 21.400 17.887 15.763 1.00 24.96 N ATOM 1727 CA PRO A 245 21.830 16.893 14.823 1.00 25.38 C ATOM 1728 C PRO A 245 23.009 17.348 13.929 1.00 27.30 C ATOM 1729 O PRO A 245 23.187 18.540 13.637 1.00 25.03 O ATOM 1730 CB PRO A 245 20.594 16.633 13.946 1.00 26.19 C ATOM 1731 CG PRO A 245 19.683 17.781 14.183 1.00 30.09 C ATOM 1732 CD PRO A 245 20.034 18.392 15.494 1.00 27.91 C ATOM 0 HA PRO A 245 22.157 16.111 15.294 1.00 25.38 H new ATOM 0 HB2 PRO A 245 20.839 16.570 13.009 1.00 26.19 H new ATOM 0 HB3 PRO A 245 20.168 15.795 14.185 1.00 26.19 H new ATOM 0 HG2 PRO A 245 19.770 18.434 13.471 1.00 30.09 H new ATOM 0 HG3 PRO A 245 18.759 17.485 14.185 1.00 30.09 H new ATOM 0 HD2 PRO A 245 20.014 19.361 15.452 1.00 27.91 H new ATOM 0 HD3 PRO A 245 19.412 18.125 16.189 1.00 27.91 H new ATOM 1733 N PHE A 246 23.763 16.361 13.453 1.00 24.95 N ATOM 1734 CA PHE A 246 24.940 16.600 12.671 1.00 22.80 C ATOM 1735 C PHE A 246 25.107 15.417 11.723 1.00 24.64 C ATOM 1736 O PHE A 246 24.580 14.325 11.966 1.00 22.34 O ATOM 1737 CB PHE A 246 26.161 16.839 13.586 1.00 21.70 C ATOM 1738 CG PHE A 246 26.564 15.668 14.373 1.00 21.00 C ATOM 1739 CD1 PHE A 246 27.316 14.660 13.791 1.00 22.26 C ATOM 1740 CD2 PHE A 246 26.136 15.520 15.674 1.00 23.73 C ATOM 1741 CE1 PHE A 246 27.692 13.550 14.533 1.00 21.71 C ATOM 1742 CE2 PHE A 246 26.447 14.404 16.417 1.00 23.40 C ATOM 1743 CZ PHE A 246 27.225 13.405 15.846 1.00 22.33 C ATOM 0 H PHE A 246 23.593 15.528 13.584 1.00 24.95 H new ATOM 0 HA PHE A 246 24.859 17.408 12.141 1.00 22.80 H new ATOM 0 HB2 PHE A 246 26.911 17.122 13.040 1.00 21.70 H new ATOM 0 HB3 PHE A 246 25.960 17.569 14.192 1.00 21.70 H new ATOM 0 HD1 PHE A 246 27.570 14.728 12.899 1.00 22.26 H new ATOM 0 HD2 PHE A 246 25.623 16.192 16.061 1.00 23.73 H new ATOM 0 HE1 PHE A 246 28.251 12.906 14.161 1.00 21.71 H new ATOM 0 HE2 PHE A 246 26.140 14.320 17.291 1.00 23.40 H new ATOM 0 HZ PHE A 246 27.435 12.642 16.334 1.00 22.33 H new ATOM 1744 N SER A 247 25.792 15.651 10.601 1.00 25.55 N ATOM 1745 CA SER A 247 26.242 14.546 9.752 1.00 23.50 C ATOM 1746 C SER A 247 27.542 14.949 9.202 1.00 23.58 C ATOM 1747 O SER A 247 27.657 15.993 8.567 1.00 23.16 O ATOM 1748 CB SER A 247 25.316 14.242 8.588 1.00 22.18 C ATOM 1749 OG SER A 247 25.729 13.040 7.907 1.00 21.94 O ATOM 0 H SER A 247 26.004 16.434 10.316 1.00 25.55 H new ATOM 0 HA SER A 247 26.273 13.743 10.296 1.00 23.50 H new ATOM 0 HB2 SER A 247 24.407 14.140 8.910 1.00 22.18 H new ATOM 0 HB3 SER A 247 25.315 14.987 7.967 1.00 22.18 H new ATOM 0 HG SER A 247 25.577 12.374 8.396 1.00 21.94 H new ATOM 1750 N LEU A 248 28.519 14.127 9.477 1.00 23.37 N ATOM 1751 CA LEU A 248 29.847 14.294 8.933 1.00 24.89 C ATOM 1752 C LEU A 248 29.931 13.315 7.772 1.00 24.44 C ATOM 1753 O LEU A 248 29.467 12.174 7.879 1.00 20.08 O ATOM 1754 CB LEU A 248 30.840 13.882 9.974 1.00 25.89 C ATOM 1755 CG LEU A 248 32.366 13.889 9.927 1.00 25.97 C ATOM 1756 CD1 LEU A 248 32.963 12.668 9.356 1.00 27.01 C ATOM 1757 CD2 LEU A 248 32.904 15.085 9.275 1.00 30.12 C ATOM 0 H LEU A 248 28.435 13.444 9.992 1.00 23.37 H new ATOM 0 HA LEU A 248 30.024 15.208 8.660 1.00 24.89 H new ATOM 0 HB2 LEU A 248 30.617 14.418 10.751 1.00 25.89 H new ATOM 0 HB3 LEU A 248 30.606 12.965 10.186 1.00 25.89 H new ATOM 0 HG LEU A 248 32.630 13.908 10.860 1.00 25.97 H new ATOM 0 HD11 LEU A 248 33.930 12.748 9.360 1.00 27.01 H new ATOM 0 HD12 LEU A 248 32.700 11.900 9.887 1.00 27.01 H new ATOM 0 HD13 LEU A 248 32.653 12.552 8.444 1.00 27.01 H new ATOM 0 HD21 LEU A 248 33.873 15.043 9.270 1.00 30.12 H new ATOM 0 HD22 LEU A 248 32.578 15.131 8.363 1.00 30.12 H new ATOM 0 HD23 LEU A 248 32.618 15.875 9.760 1.00 30.12 H new ATOM 1758 N ASN A 249 30.499 13.792 6.673 1.00 22.60 N ATOM 1759 CA ASN A 249 30.724 12.956 5.533 1.00 21.92 C ATOM 1760 C ASN A 249 32.071 13.327 4.935 1.00 23.08 C ATOM 1761 O ASN A 249 32.287 14.466 4.645 1.00 24.21 O ATOM 1762 CB ASN A 249 29.599 13.178 4.567 1.00 20.05 C ATOM 1763 CG ASN A 249 29.818 12.457 3.273 1.00 22.96 C ATOM 1764 OD1 ASN A 249 30.619 12.916 2.431 1.00 23.81 O ATOM 1765 ND2 ASN A 249 29.056 11.356 3.050 1.00 21.47 N ATOM 0 H ASN A 249 30.760 14.606 6.578 1.00 22.60 H new ATOM 0 HA ASN A 249 30.744 12.015 5.766 1.00 21.92 H new ATOM 0 HB2 ASN A 249 28.767 12.878 4.966 1.00 20.05 H new ATOM 0 HB3 ASN A 249 29.505 14.128 4.395 1.00 20.05 H new ATOM 0 HD21 ASN A 249 29.112 10.939 2.300 1.00 21.47 H new ATOM 0 HD22 ASN A 249 28.518 11.075 3.659 1.00 21.47 H new ATOM 1766 N LEU A 250 32.982 12.375 4.796 1.00 25.03 N ATOM 1767 CA LEU A 250 34.295 12.632 4.245 1.00 24.06 C ATOM 1768 C LEU A 250 34.850 11.432 3.503 1.00 25.45 C ATOM 1769 O LEU A 250 34.203 10.392 3.414 1.00 25.74 O ATOM 1770 CB LEU A 250 35.234 13.056 5.362 1.00 26.74 C ATOM 1771 CG LEU A 250 35.327 12.088 6.556 1.00 29.20 C ATOM 1772 CD1 LEU A 250 35.798 10.700 6.117 1.00 32.88 C ATOM 1773 CD2 LEU A 250 36.327 12.587 7.560 1.00 30.12 C ATOM 0 H LEU A 250 32.851 11.556 5.022 1.00 25.03 H new ATOM 0 HA LEU A 250 34.216 13.348 3.595 1.00 24.06 H new ATOM 0 HB2 LEU A 250 36.122 13.171 4.990 1.00 26.74 H new ATOM 0 HB3 LEU A 250 34.949 13.923 5.691 1.00 26.74 H new ATOM 0 HG LEU A 250 34.438 12.036 6.940 1.00 29.20 H new ATOM 0 HD11 LEU A 250 35.846 10.115 6.889 1.00 32.88 H new ATOM 0 HD12 LEU A 250 35.171 10.334 5.473 1.00 32.88 H new ATOM 0 HD13 LEU A 250 36.676 10.770 5.710 1.00 32.88 H new ATOM 0 HD21 LEU A 250 36.374 11.968 8.305 1.00 30.12 H new ATOM 0 HD22 LEU A 250 37.199 12.656 7.141 1.00 30.12 H new ATOM 0 HD23 LEU A 250 36.054 13.460 7.883 1.00 30.12 H new ATOM 1774 N GLU A 251 36.055 11.579 2.950 1.00 27.78 N ATOM 1775 CA GLU A 251 36.784 10.468 2.348 1.00 28.66 C ATOM 1776 C GLU A 251 37.763 9.758 3.247 1.00 29.21 C ATOM 1777 O GLU A 251 38.632 10.375 3.851 1.00 28.70 O ATOM 1778 CB GLU A 251 37.573 10.957 1.139 1.00 34.15 C ATOM 1779 CG GLU A 251 36.656 11.608 0.167 1.00 41.64 C ATOM 1780 CD GLU A 251 36.656 11.047 -1.231 1.00 52.70 C ATOM 1781 OE1 GLU A 251 35.487 11.040 -1.752 1.00 46.46 O ATOM 1782 OE2 GLU A 251 37.774 10.731 -1.805 1.00 57.58 O ATOM 0 H GLU A 251 36.472 12.330 2.915 1.00 27.78 H new ATOM 0 HA GLU A 251 36.088 9.831 2.123 1.00 28.66 H new ATOM 0 HB2 GLU A 251 38.257 11.585 1.421 1.00 34.15 H new ATOM 0 HB3 GLU A 251 38.029 10.212 0.717 1.00 34.15 H new ATOM 0 HG2 GLU A 251 35.753 11.553 0.517 1.00 41.64 H new ATOM 0 HG3 GLU A 251 36.884 12.549 0.117 1.00 41.64 H new ATOM 1783 N MET A 252 37.652 8.432 3.276 1.00 31.85 N ATOM 1784 CA MET A 252 38.579 7.568 4.065 1.00 34.07 C ATOM 1785 C MET A 252 39.792 7.198 3.201 1.00 34.91 C ATOM 1786 O MET A 252 39.662 6.455 2.242 1.00 35.41 O ATOM 1787 CB MET A 252 37.855 6.298 4.562 1.00 32.32 C ATOM 1788 CG MET A 252 36.636 6.508 5.470 1.00 30.48 C ATOM 1789 SD MET A 252 36.927 7.561 6.910 1.00 30.50 S ATOM 1790 CE MET A 252 37.788 6.484 8.068 1.00 31.52 C ATOM 0 H MET A 252 37.047 7.996 2.847 1.00 31.85 H new ATOM 0 HA MET A 252 38.882 8.059 4.845 1.00 34.07 H new ATOM 0 HB2 MET A 252 37.571 5.789 3.787 1.00 32.32 H new ATOM 0 HB3 MET A 252 38.498 5.751 5.040 1.00 32.32 H new ATOM 0 HG2 MET A 252 35.920 6.895 4.943 1.00 30.48 H new ATOM 0 HG3 MET A 252 36.326 5.642 5.777 1.00 30.48 H new ATOM 0 HE1 MET A 252 37.986 6.975 8.881 1.00 31.52 H new ATOM 0 HE2 MET A 252 37.227 5.722 8.280 1.00 31.52 H new ATOM 0 HE3 MET A 252 38.616 6.174 7.668 1.00 31.52 H new ATOM 1791 N LYS A 253 40.926 7.841 3.481 1.00 41.58 N ATOM 1792 CA LYS A 253 42.156 7.664 2.710 1.00 44.69 C ATOM 1793 C LYS A 253 42.900 6.478 3.288 1.00 46.01 C ATOM 1794 O LYS A 253 42.732 6.145 4.484 1.00 38.20 O ATOM 1795 CB LYS A 253 43.075 8.906 2.840 1.00 42.22 C ATOM 1796 CG LYS A 253 42.546 10.229 2.250 1.00 46.27 C ATOM 1797 CD LYS A 253 42.218 10.202 0.740 1.00 46.18 C ATOM 1798 CE LYS A 253 41.627 11.529 0.239 1.00 45.93 C ATOM 1799 NZ LYS A 253 40.667 11.376 -0.911 1.00 46.49 N ATOM 0 H LYS A 253 41.003 8.398 4.131 1.00 41.58 H new ATOM 0 HA LYS A 253 41.928 7.533 1.776 1.00 44.69 H new ATOM 0 HB2 LYS A 253 43.260 9.048 3.782 1.00 42.22 H new ATOM 0 HB3 LYS A 253 43.921 8.702 2.412 1.00 42.22 H new ATOM 0 HG2 LYS A 253 41.745 10.483 2.734 1.00 46.27 H new ATOM 0 HG3 LYS A 253 43.206 10.922 2.409 1.00 46.27 H new ATOM 0 HD2 LYS A 253 43.025 10.003 0.241 1.00 46.18 H new ATOM 0 HD3 LYS A 253 41.590 9.485 0.562 1.00 46.18 H new ATOM 0 HE2 LYS A 253 41.170 11.967 0.974 1.00 45.93 H new ATOM 0 HE3 LYS A 253 42.352 12.113 -0.032 1.00 45.93 H new ATOM 0 HZ1 LYS A 253 40.222 12.138 -1.030 1.00 46.49 H new ATOM 0 HZ2 LYS A 253 41.119 11.178 -1.651 1.00 46.49 H new ATOM 0 HZ3 LYS A 253 40.091 10.722 -0.732 1.00 46.49 H new ATOM 1800 N GLU A 254 43.739 5.886 2.438 1.00 56.10 N ATOM 1801 CA GLU A 254 44.785 4.864 2.784 1.00 55.26 C ATOM 1802 C GLU A 254 45.390 5.071 4.170 1.00 49.11 C ATOM 1803 O GLU A 254 45.982 6.109 4.424 1.00 39.16 O ATOM 1804 CB GLU A 254 45.919 4.910 1.724 1.00 64.41 C ATOM 1805 CG GLU A 254 46.819 3.677 1.629 1.00 72.72 C ATOM 1806 CD GLU A 254 46.132 2.490 0.954 1.00 84.01 C ATOM 1807 OE1 GLU A 254 46.025 2.503 -0.292 1.00 87.49 O ATOM 1808 OE2 GLU A 254 45.705 1.534 1.659 1.00 82.84 O ATOM 0 H GLU A 254 43.728 6.066 1.597 1.00 56.10 H new ATOM 0 HA GLU A 254 44.345 4.000 2.789 1.00 55.26 H new ATOM 0 HB2 GLU A 254 45.515 5.058 0.855 1.00 64.41 H new ATOM 0 HB3 GLU A 254 46.478 5.680 1.912 1.00 64.41 H new ATOM 0 HG2 GLU A 254 47.621 3.905 1.134 1.00 72.72 H new ATOM 0 HG3 GLU A 254 47.100 3.418 2.520 1.00 72.72 H new ATOM 1809 N GLY A 255 45.214 4.086 5.069 1.00 51.88 N ATOM 1810 CA GLY A 255 45.724 4.138 6.461 1.00 49.61 C ATOM 1811 C GLY A 255 45.172 5.202 7.404 1.00 50.37 C ATOM 1812 O GLY A 255 45.858 5.660 8.300 1.00 64.47 O ATOM 0 H GLY A 255 44.791 3.360 4.888 1.00 51.88 H new ATOM 0 HA2 GLY A 255 45.561 3.272 6.867 1.00 49.61 H new ATOM 0 HA3 GLY A 255 46.686 4.254 6.418 1.00 49.61 H new ATOM 1813 N MET A 256 43.936 5.624 7.196 1.00 48.79 N ATOM 1814 CA MET A 256 43.271 6.533 8.127 1.00 47.58 C ATOM 1815 C MET A 256 42.562 5.673 9.171 1.00 39.25 C ATOM 1816 O MET A 256 41.952 4.688 8.851 1.00 40.81 O ATOM 1817 CB MET A 256 42.247 7.342 7.351 1.00 52.85 C ATOM 1818 CG MET A 256 42.150 8.798 7.719 1.00 52.31 C ATOM 1819 SD MET A 256 40.978 9.496 6.553 1.00 56.30 S ATOM 1820 CE MET A 256 42.065 10.619 5.754 1.00 49.01 C ATOM 0 H MET A 256 43.458 5.397 6.518 1.00 48.79 H new ATOM 0 HA MET A 256 43.901 7.134 8.555 1.00 47.58 H new ATOM 0 HB2 MET A 256 42.457 7.278 6.406 1.00 52.85 H new ATOM 0 HB3 MET A 256 41.375 6.935 7.476 1.00 52.85 H new ATOM 0 HG2 MET A 256 41.845 8.910 8.633 1.00 52.31 H new ATOM 0 HG3 MET A 256 43.013 9.235 7.653 1.00 52.31 H new ATOM 0 HE1 MET A 256 41.748 10.791 4.854 1.00 49.01 H new ATOM 0 HE2 MET A 256 42.093 11.451 6.251 1.00 49.01 H new ATOM 0 HE3 MET A 256 42.955 10.236 5.715 1.00 49.01 H new ATOM 1821 N SER A 257 42.660 6.004 10.428 1.00 41.65 N ATOM 1822 CA SER A 257 41.900 5.241 11.408 1.00 42.11 C ATOM 1823 C SER A 257 40.437 5.706 11.350 1.00 40.59 C ATOM 1824 O SER A 257 40.127 6.861 10.957 1.00 36.50 O ATOM 1825 CB SER A 257 42.471 5.417 12.813 1.00 46.61 C ATOM 1826 OG SER A 257 41.430 5.294 13.800 1.00 58.75 O ATOM 0 H SER A 257 43.141 6.644 10.741 1.00 41.65 H new ATOM 0 HA SER A 257 41.957 4.296 11.198 1.00 42.11 H new ATOM 0 HB2 SER A 257 43.158 4.751 12.975 1.00 46.61 H new ATOM 0 HB3 SER A 257 42.895 6.286 12.889 1.00 46.61 H new ATOM 0 HG SER A 257 41.368 6.011 14.233 1.00 58.75 H new ATOM 1827 N GLY A 258 39.540 4.804 11.747 1.00 34.95 N ATOM 1828 CA GLY A 258 38.141 5.125 11.821 1.00 27.65 C ATOM 1829 C GLY A 258 37.840 6.281 12.750 1.00 29.11 C ATOM 1830 O GLY A 258 36.924 7.052 12.491 1.00 30.40 O ATOM 0 H GLY A 258 39.735 3.998 11.977 1.00 34.95 H new ATOM 0 HA2 GLY A 258 37.818 5.340 10.932 1.00 27.65 H new ATOM 0 HA3 GLY A 258 37.651 4.343 12.119 1.00 27.65 H new ATOM 1831 N SER A 259 38.602 6.405 13.836 1.00 27.93 N ATOM 1832 CA SER A 259 38.311 7.362 14.854 1.00 28.36 C ATOM 1833 C SER A 259 38.570 8.816 14.362 1.00 29.70 C ATOM 1834 O SER A 259 38.193 9.767 15.036 1.00 27.10 O ATOM 1835 CB SER A 259 39.174 7.068 16.084 1.00 29.23 C ATOM 1836 OG SER A 259 40.504 7.419 15.759 1.00 30.97 O ATOM 0 H SER A 259 39.301 5.927 13.988 1.00 27.93 H new ATOM 0 HA SER A 259 37.371 7.290 15.081 1.00 28.36 H new ATOM 0 HB2 SER A 259 38.863 7.577 16.849 1.00 29.23 H new ATOM 0 HB3 SER A 259 39.117 6.130 16.325 1.00 29.23 H new ATOM 0 HG SER A 259 40.708 8.135 16.148 1.00 30.97 H new ATOM 1837 N ILE A 260 39.210 9.000 13.202 1.00 28.70 N ATOM 1838 CA ILE A 260 39.275 10.343 12.656 1.00 30.23 C ATOM 1839 C ILE A 260 37.867 10.982 12.447 1.00 28.78 C ATOM 1840 O ILE A 260 37.712 12.218 12.454 1.00 28.88 O ATOM 1841 CB ILE A 260 40.006 10.337 11.311 1.00 33.20 C ATOM 1842 CG1 ILE A 260 40.488 11.735 10.925 1.00 37.51 C ATOM 1843 CG2 ILE A 260 39.064 9.837 10.216 1.00 35.06 C ATOM 1844 CD1 ILE A 260 41.494 12.344 11.884 1.00 43.91 C ATOM 0 H ILE A 260 39.595 8.386 12.739 1.00 28.70 H new ATOM 0 HA ILE A 260 39.756 10.876 13.308 1.00 30.23 H new ATOM 0 HB ILE A 260 40.775 9.753 11.400 1.00 33.20 H new ATOM 0 HG12 ILE A 260 40.885 11.695 10.041 1.00 37.51 H new ATOM 0 HG13 ILE A 260 39.720 12.324 10.864 1.00 37.51 H new ATOM 0 HG21 ILE A 260 39.529 9.834 9.365 1.00 35.06 H new ATOM 0 HG22 ILE A 260 38.771 8.937 10.427 1.00 35.06 H new ATOM 0 HG23 ILE A 260 38.293 10.423 10.160 1.00 35.06 H new ATOM 0 HD11 ILE A 260 41.748 13.226 11.570 1.00 43.91 H new ATOM 0 HD12 ILE A 260 41.097 12.417 12.766 1.00 43.91 H new ATOM 0 HD13 ILE A 260 42.281 11.779 11.930 1.00 43.91 H new ATOM 1845 N ARG A 261 36.846 10.163 12.183 1.00 25.90 N ATOM 1846 CA ARG A 261 35.527 10.716 11.925 1.00 24.47 C ATOM 1847 C ARG A 261 35.003 11.369 13.200 1.00 25.30 C ATOM 1848 O ARG A 261 34.462 12.465 13.177 1.00 23.72 O ATOM 1849 CB ARG A 261 34.592 9.636 11.472 1.00 22.11 C ATOM 1850 CG ARG A 261 35.032 8.977 10.203 1.00 23.68 C ATOM 1851 CD ARG A 261 34.301 7.671 9.871 1.00 24.39 C ATOM 1852 NE ARG A 261 34.587 6.626 10.852 1.00 24.88 N ATOM 1853 CZ ARG A 261 34.134 5.376 10.768 1.00 24.70 C ATOM 1854 NH1 ARG A 261 34.431 4.501 11.704 1.00 24.91 N ATOM 1855 NH2 ARG A 261 33.356 5.011 9.769 1.00 23.68 N ATOM 0 H ARG A 261 36.898 9.305 12.150 1.00 25.90 H new ATOM 0 HA ARG A 261 35.586 11.382 11.222 1.00 24.47 H new ATOM 0 HB2 ARG A 261 34.517 8.966 12.170 1.00 22.11 H new ATOM 0 HB3 ARG A 261 33.707 10.013 11.345 1.00 22.11 H new ATOM 0 HG2 ARG A 261 34.906 9.599 9.470 1.00 23.68 H new ATOM 0 HG3 ARG A 261 35.983 8.795 10.260 1.00 23.68 H new ATOM 0 HD2 ARG A 261 33.345 7.834 9.841 1.00 24.39 H new ATOM 0 HD3 ARG A 261 34.565 7.368 8.988 1.00 24.39 H new ATOM 0 HE ARG A 261 35.079 6.831 11.527 1.00 24.88 H new ATOM 0 HH11 ARG A 261 34.919 4.735 12.372 1.00 24.91 H new ATOM 0 HH12 ARG A 261 34.137 3.695 11.648 1.00 24.91 H new ATOM 0 HH21 ARG A 261 33.137 5.582 9.164 1.00 23.68 H new ATOM 0 HH22 ARG A 261 33.068 4.202 9.722 1.00 23.68 H new ATOM 1856 N ASN A 262 35.168 10.629 14.276 1.00 24.22 N ATOM 1857 CA ASN A 262 34.878 11.062 15.614 1.00 27.99 C ATOM 1858 C ASN A 262 35.684 12.263 16.041 1.00 27.76 C ATOM 1859 O ASN A 262 35.162 13.182 16.673 1.00 26.39 O ATOM 1860 CB ASN A 262 35.124 9.898 16.647 1.00 28.64 C ATOM 1861 CG ASN A 262 34.331 8.643 16.308 1.00 29.41 C ATOM 1862 OD1 ASN A 262 34.572 7.975 15.283 1.00 33.07 O ATOM 1863 ND2 ASN A 262 33.337 8.360 17.114 1.00 28.86 N ATOM 0 H ASN A 262 35.466 9.823 14.240 1.00 24.22 H new ATOM 0 HA ASN A 262 33.942 11.318 15.607 1.00 27.99 H new ATOM 0 HB2 ASN A 262 36.070 9.684 16.669 1.00 28.64 H new ATOM 0 HB3 ASN A 262 34.881 10.201 17.536 1.00 28.64 H new ATOM 0 HD21 ASN A 262 32.822 7.692 16.944 1.00 28.86 H new ATOM 0 HD22 ASN A 262 33.199 8.842 17.813 1.00 28.86 H new ATOM 1864 N GLU A 263 36.956 12.261 15.734 1.00 29.10 N ATOM 1865 CA GLU A 263 37.808 13.367 16.185 1.00 32.81 C ATOM 1866 C GLU A 263 37.437 14.669 15.496 1.00 30.65 C ATOM 1867 O GLU A 263 37.275 15.684 16.150 1.00 29.60 O ATOM 1868 CB GLU A 263 39.267 13.022 15.960 1.00 37.66 C ATOM 1869 CG GLU A 263 39.650 11.882 16.904 1.00 46.02 C ATOM 1870 CD GLU A 263 40.923 11.126 16.548 1.00 50.35 C ATOM 1871 OE1 GLU A 263 41.187 10.151 17.291 1.00 52.33 O ATOM 1872 OE2 GLU A 263 41.637 11.487 15.575 1.00 52.41 O ATOM 0 H GLU A 263 37.353 11.651 15.277 1.00 29.10 H new ATOM 0 HA GLU A 263 37.664 13.497 17.135 1.00 32.81 H new ATOM 0 HB2 GLU A 263 39.412 12.759 15.038 1.00 37.66 H new ATOM 0 HB3 GLU A 263 39.826 13.798 16.125 1.00 37.66 H new ATOM 0 HG2 GLU A 263 39.749 12.245 17.798 1.00 46.02 H new ATOM 0 HG3 GLU A 263 38.916 11.249 16.934 1.00 46.02 H new ATOM 1873 N ILE A 264 37.216 14.611 14.186 1.00 25.45 N ATOM 1874 CA ILE A 264 36.863 15.779 13.461 1.00 24.07 C ATOM 1875 C ILE A 264 35.517 16.228 13.947 1.00 25.20 C ATOM 1876 O ILE A 264 35.273 17.430 14.103 1.00 24.71 O ATOM 1877 CB ILE A 264 36.816 15.528 11.949 1.00 24.01 C ATOM 1878 CG1 ILE A 264 38.211 15.391 11.377 1.00 24.67 C ATOM 1879 CG2 ILE A 264 36.113 16.658 11.215 1.00 24.35 C ATOM 1880 CD1 ILE A 264 38.247 14.988 9.907 1.00 23.54 C ATOM 0 H ILE A 264 37.270 13.894 13.714 1.00 25.45 H new ATOM 0 HA ILE A 264 37.537 16.461 13.611 1.00 24.07 H new ATOM 0 HB ILE A 264 36.322 14.703 11.822 1.00 24.01 H new ATOM 0 HG12 ILE A 264 38.677 16.235 11.482 1.00 24.67 H new ATOM 0 HG13 ILE A 264 38.699 14.731 11.895 1.00 24.67 H new ATOM 0 HG21 ILE A 264 36.101 16.468 10.264 1.00 24.35 H new ATOM 0 HG22 ILE A 264 35.203 16.738 11.540 1.00 24.35 H new ATOM 0 HG23 ILE A 264 36.586 17.490 11.372 1.00 24.35 H new ATOM 0 HD11 ILE A 264 39.169 14.920 9.612 1.00 23.54 H new ATOM 0 HD12 ILE A 264 37.809 14.130 9.796 1.00 23.54 H new ATOM 0 HD13 ILE A 264 37.787 15.657 9.376 1.00 23.54 H new ATOM 1881 N THR A 265 34.620 15.286 14.151 1.00 24.52 N ATOM 1882 CA THR A 265 33.325 15.687 14.623 1.00 25.69 C ATOM 1883 C THR A 265 33.355 16.395 16.023 1.00 27.67 C ATOM 1884 O THR A 265 32.669 17.404 16.243 1.00 27.11 O ATOM 1885 CB THR A 265 32.398 14.507 14.715 1.00 23.42 C ATOM 1886 OG1 THR A 265 32.216 13.942 13.406 1.00 20.46 O ATOM 1887 CG2 THR A 265 31.062 14.980 15.270 1.00 22.07 C ATOM 0 H THR A 265 34.736 14.443 14.027 1.00 24.52 H new ATOM 0 HA THR A 265 33.006 16.329 13.969 1.00 25.69 H new ATOM 0 HB THR A 265 32.772 13.830 15.300 1.00 23.42 H new ATOM 0 HG1 THR A 265 32.871 13.451 13.219 1.00 20.46 H new ATOM 0 HG21 THR A 265 30.454 14.227 15.335 1.00 22.07 H new ATOM 0 HG22 THR A 265 31.195 15.364 16.151 1.00 22.07 H new ATOM 0 HG23 THR A 265 30.685 15.650 14.679 1.00 22.07 H new ATOM 1888 N TYR A 266 34.116 15.847 16.945 1.00 26.66 N ATOM 1889 CA TYR A 266 34.136 16.371 18.304 1.00 27.84 C ATOM 1890 C TYR A 266 34.777 17.768 18.304 1.00 28.32 C ATOM 1891 O TYR A 266 34.272 18.672 18.921 1.00 30.43 O ATOM 1892 CB TYR A 266 34.875 15.424 19.275 1.00 26.15 C ATOM 1893 CG TYR A 266 34.268 13.985 19.387 1.00 27.52 C ATOM 1894 CD1 TYR A 266 32.947 13.730 19.034 1.00 26.98 C ATOM 1895 CD2 TYR A 266 35.049 12.880 19.903 1.00 29.59 C ATOM 1896 CE1 TYR A 266 32.426 12.433 19.114 1.00 29.89 C ATOM 1897 CE2 TYR A 266 34.517 11.592 20.007 1.00 32.26 C ATOM 1898 CZ TYR A 266 33.192 11.388 19.607 1.00 32.50 C ATOM 1899 OH TYR A 266 32.622 10.147 19.639 1.00 35.49 O ATOM 0 H TYR A 266 34.631 15.171 16.811 1.00 26.66 H new ATOM 0 HA TYR A 266 33.221 16.437 18.620 1.00 27.84 H new ATOM 0 HB2 TYR A 266 35.800 15.349 18.991 1.00 26.15 H new ATOM 0 HB3 TYR A 266 34.881 15.827 20.157 1.00 26.15 H new ATOM 0 HD1 TYR A 266 32.405 14.427 18.742 1.00 26.98 H new ATOM 0 HD2 TYR A 266 35.926 13.031 20.172 1.00 29.59 H new ATOM 0 HE1 TYR A 266 31.555 12.270 18.833 1.00 29.89 H new ATOM 0 HE2 TYR A 266 35.030 10.889 20.334 1.00 32.26 H new ATOM 0 HH TYR A 266 33.171 9.594 19.953 1.00 35.49 H new ATOM 1900 N LYS A 267 35.880 17.946 17.602 1.00 28.23 N ATOM 1901 CA LYS A 267 36.471 19.272 17.445 1.00 29.00 C ATOM 1902 C LYS A 267 35.508 20.290 16.829 1.00 27.98 C ATOM 1903 O LYS A 267 35.443 21.424 17.279 1.00 26.53 O ATOM 1904 CB LYS A 267 37.712 19.154 16.614 1.00 32.75 C ATOM 1905 CG LYS A 267 38.717 18.289 17.362 1.00 37.11 C ATOM 1906 CD LYS A 267 40.148 18.739 17.160 1.00 40.07 C ATOM 1907 CE LYS A 267 40.753 18.081 15.953 1.00 44.46 C ATOM 1908 NZ LYS A 267 42.048 17.481 16.341 1.00 46.69 N ATOM 0 H LYS A 267 36.307 17.314 17.205 1.00 28.23 H new ATOM 0 HA LYS A 267 36.685 19.607 18.330 1.00 29.00 H new ATOM 0 HB2 LYS A 267 37.504 18.760 15.752 1.00 32.75 H new ATOM 0 HB3 LYS A 267 38.086 20.032 16.441 1.00 32.75 H new ATOM 0 HG2 LYS A 267 38.509 18.305 18.309 1.00 37.11 H new ATOM 0 HG3 LYS A 267 38.628 17.369 17.067 1.00 37.11 H new ATOM 0 HD2 LYS A 267 40.176 19.703 17.055 1.00 40.07 H new ATOM 0 HD3 LYS A 267 40.673 18.524 17.947 1.00 40.07 H new ATOM 0 HE2 LYS A 267 40.156 17.399 15.607 1.00 44.46 H new ATOM 0 HE3 LYS A 267 40.882 18.731 15.245 1.00 44.46 H new ATOM 0 HZ1 LYS A 267 42.417 17.087 15.633 1.00 46.69 H new ATOM 0 HZ2 LYS A 267 42.592 18.118 16.643 1.00 46.69 H new ATOM 0 HZ3 LYS A 267 41.916 16.876 16.981 1.00 46.69 H new ATOM 1909 N SER A 268 34.710 19.869 15.847 1.00 26.85 N ATOM 1910 CA SER A 268 33.792 20.782 15.219 1.00 25.16 C ATOM 1911 C SER A 268 32.738 21.167 16.177 1.00 25.25 C ATOM 1912 O SER A 268 32.402 22.337 16.248 1.00 25.46 O ATOM 1913 CB SER A 268 33.172 20.182 13.976 1.00 24.59 C ATOM 1914 OG SER A 268 34.228 19.935 13.048 1.00 25.65 O ATOM 0 H SER A 268 34.693 19.066 15.541 1.00 26.85 H new ATOM 0 HA SER A 268 34.289 21.570 14.949 1.00 25.16 H new ATOM 0 HB2 SER A 268 32.706 19.359 14.190 1.00 24.59 H new ATOM 0 HB3 SER A 268 32.517 20.788 13.595 1.00 24.59 H new ATOM 0 HG SER A 268 34.619 19.220 13.252 1.00 25.65 H new ATOM 1915 N LEU A 269 32.161 20.205 16.894 1.00 25.62 N ATOM 1916 CA LEU A 269 31.064 20.560 17.801 1.00 25.83 C ATOM 1917 C LEU A 269 31.583 21.459 18.908 1.00 25.06 C ATOM 1918 O LEU A 269 30.909 22.369 19.326 1.00 26.73 O ATOM 1919 CB LEU A 269 30.352 19.340 18.380 1.00 24.70 C ATOM 1920 CG LEU A 269 29.711 18.444 17.317 1.00 23.62 C ATOM 1921 CD1 LEU A 269 29.437 17.041 17.844 1.00 24.48 C ATOM 1922 CD2 LEU A 269 28.482 19.039 16.653 1.00 24.27 C ATOM 0 H LEU A 269 32.376 19.373 16.875 1.00 25.62 H new ATOM 0 HA LEU A 269 30.400 21.038 17.279 1.00 25.83 H new ATOM 0 HB2 LEU A 269 30.988 18.817 18.893 1.00 24.70 H new ATOM 0 HB3 LEU A 269 29.666 19.638 18.998 1.00 24.70 H new ATOM 0 HG LEU A 269 30.376 18.378 16.614 1.00 23.62 H new ATOM 0 HD11 LEU A 269 29.032 16.505 17.144 1.00 24.48 H new ATOM 0 HD12 LEU A 269 30.271 16.631 18.123 1.00 24.48 H new ATOM 0 HD13 LEU A 269 28.833 17.092 18.601 1.00 24.48 H new ATOM 0 HD21 LEU A 269 28.135 18.416 15.996 1.00 24.27 H new ATOM 0 HD22 LEU A 269 27.803 19.212 17.324 1.00 24.27 H new ATOM 0 HD23 LEU A 269 28.721 19.871 16.215 1.00 24.27 H new ATOM 1923 N GLU A 270 32.819 21.262 19.305 1.00 28.01 N ATOM 1924 CA GLU A 270 33.400 22.019 20.404 1.00 33.63 C ATOM 1925 C GLU A 270 33.741 23.418 19.910 1.00 33.45 C ATOM 1926 O GLU A 270 33.397 24.440 20.521 1.00 25.13 O ATOM 1927 CB GLU A 270 34.669 21.307 20.866 1.00 40.93 C ATOM 1928 CG GLU A 270 35.146 21.728 22.239 1.00 48.91 C ATOM 1929 CD GLU A 270 36.559 21.274 22.500 1.00 60.82 C ATOM 1930 OE1 GLU A 270 36.921 21.114 23.690 1.00 67.33 O ATOM 1931 OE2 GLU A 270 37.308 21.071 21.505 1.00 66.86 O ATOM 0 H GLU A 270 33.351 20.687 18.950 1.00 28.01 H new ATOM 0 HA GLU A 270 32.776 22.083 21.144 1.00 33.63 H new ATOM 0 HB2 GLU A 270 34.509 20.350 20.869 1.00 40.93 H new ATOM 0 HB3 GLU A 270 35.375 21.475 20.223 1.00 40.93 H new ATOM 0 HG2 GLU A 270 35.096 22.694 22.317 1.00 48.91 H new ATOM 0 HG3 GLU A 270 34.557 21.358 22.915 1.00 48.91 H new ATOM 1932 N ASN A 271 34.342 23.468 18.731 1.00 28.84 N ATOM 1933 CA ASN A 271 34.543 24.798 18.147 1.00 32.39 C ATOM 1934 C ASN A 271 33.281 25.663 18.161 1.00 27.53 C ATOM 1935 O ASN A 271 33.326 26.833 18.496 1.00 30.48 O ATOM 1936 CB ASN A 271 35.109 24.736 16.722 1.00 30.06 C ATOM 1937 CG ASN A 271 35.549 26.090 16.237 1.00 28.84 C ATOM 1938 OD1 ASN A 271 34.828 26.715 15.556 1.00 25.01 O ATOM 1939 ND2 ASN A 271 36.734 26.548 16.620 1.00 30.25 N ATOM 0 H ASN A 271 34.626 22.798 18.273 1.00 28.84 H new ATOM 0 HA ASN A 271 35.199 25.221 18.723 1.00 32.39 H new ATOM 0 HB2 ASN A 271 35.861 24.124 16.699 1.00 30.06 H new ATOM 0 HB3 ASN A 271 34.435 24.380 16.121 1.00 30.06 H new ATOM 0 HD21 ASN A 271 36.996 27.328 16.368 1.00 30.25 H new ATOM 0 HD22 ASN A 271 37.240 26.065 17.120 1.00 30.25 H new ATOM 1940 N LEU A 272 32.150 25.091 17.819 1.00 27.47 N ATOM 1941 CA LEU A 272 30.938 25.875 17.720 1.00 26.39 C ATOM 1942 C LEU A 272 30.260 26.053 19.079 1.00 27.56 C ATOM 1943 O LEU A 272 29.210 26.632 19.143 1.00 29.26 O ATOM 1944 CB LEU A 272 30.026 25.194 16.740 1.00 28.93 C ATOM 1945 CG LEU A 272 30.460 25.196 15.292 1.00 30.29 C ATOM 1946 CD1 LEU A 272 29.703 24.219 14.432 1.00 32.81 C ATOM 1947 CD2 LEU A 272 30.143 26.557 14.773 1.00 33.11 C ATOM 0 H LEU A 272 32.059 24.255 17.640 1.00 27.47 H new ATOM 0 HA LEU A 272 31.154 26.768 17.410 1.00 26.39 H new ATOM 0 HB2 LEU A 272 29.914 24.272 17.021 1.00 28.93 H new ATOM 0 HB3 LEU A 272 29.154 25.615 16.795 1.00 28.93 H new ATOM 0 HG LEU A 272 31.398 24.950 15.256 1.00 30.29 H new ATOM 0 HD11 LEU A 272 30.029 24.271 13.520 1.00 32.81 H new ATOM 0 HD12 LEU A 272 29.834 23.320 14.771 1.00 32.81 H new ATOM 0 HD13 LEU A 272 28.758 24.436 14.450 1.00 32.81 H new ATOM 0 HD21 LEU A 272 30.402 26.616 13.840 1.00 33.11 H new ATOM 0 HD22 LEU A 272 29.190 26.721 14.854 1.00 33.11 H new ATOM 0 HD23 LEU A 272 30.630 27.221 15.286 1.00 33.11 H new ATOM 1948 N GLY A 273 30.862 25.567 20.163 1.00 30.72 N ATOM 1949 CA GLY A 273 30.258 25.633 21.507 1.00 31.69 C ATOM 1950 C GLY A 273 29.027 24.727 21.674 1.00 35.95 C ATOM 1951 O GLY A 273 28.193 24.961 22.521 1.00 34.66 O ATOM 0 H GLY A 273 31.634 25.188 20.146 1.00 30.72 H new ATOM 0 HA2 GLY A 273 30.925 25.384 22.166 1.00 31.69 H new ATOM 0 HA3 GLY A 273 30.003 26.550 21.694 1.00 31.69 H new ATOM 1952 N ILE A 274 28.859 23.691 20.863 1.00 33.65 N ATOM 1953 CA ILE A 274 27.702 22.839 21.033 1.00 30.36 C ATOM 1954 C ILE A 274 27.970 21.773 22.140 1.00 34.29 C ATOM 1955 O ILE A 274 27.031 21.237 22.771 1.00 28.78 O ATOM 1956 CB ILE A 274 27.379 22.213 19.702 1.00 31.88 C ATOM 1957 CG1 ILE A 274 26.901 23.307 18.761 1.00 30.54 C ATOM 1958 CG2 ILE A 274 26.373 21.087 19.853 1.00 33.95 C ATOM 1959 CD1 ILE A 274 26.910 22.840 17.318 1.00 35.26 C ATOM 0 H ILE A 274 29.391 23.471 20.224 1.00 33.65 H new ATOM 0 HA ILE A 274 26.936 23.355 21.328 1.00 30.36 H new ATOM 0 HB ILE A 274 28.173 21.804 19.323 1.00 31.88 H new ATOM 0 HG12 ILE A 274 26.004 23.580 19.009 1.00 30.54 H new ATOM 0 HG13 ILE A 274 27.470 24.087 18.854 1.00 30.54 H new ATOM 0 HG21 ILE A 274 26.184 20.703 18.983 1.00 33.95 H new ATOM 0 HG22 ILE A 274 26.738 20.403 20.435 1.00 33.95 H new ATOM 0 HG23 ILE A 274 25.553 21.435 20.238 1.00 33.95 H new ATOM 0 HD11 ILE A 274 26.601 23.558 16.743 1.00 35.26 H new ATOM 0 HD12 ILE A 274 27.812 22.589 17.064 1.00 35.26 H new ATOM 0 HD13 ILE A 274 26.323 22.074 17.222 1.00 35.26 H new ATOM 1960 N ILE A 275 29.249 21.465 22.368 1.00 33.73 N ATOM 1961 CA ILE A 275 29.635 20.668 23.527 1.00 35.35 C ATOM 1962 C ILE A 275 30.809 21.324 24.242 1.00 40.30 C ATOM 1963 O ILE A 275 31.219 20.847 25.323 1.00 47.39 O ATOM 1964 CB ILE A 275 30.069 19.230 23.155 1.00 32.90 C ATOM 1965 CG1 ILE A 275 31.367 19.242 22.330 1.00 31.37 C ATOM 1966 CG2 ILE A 275 28.950 18.492 22.442 1.00 32.54 C ATOM 1967 CD1 ILE A 275 31.763 17.855 21.832 1.00 31.44 C ATOM 1968 OXT ILE A 275 31.383 22.308 23.727 1.00 43.36 O ATOM 0 H ILE A 275 29.903 21.708 21.865 1.00 33.73 H new ATOM 0 HA ILE A 275 28.848 20.620 24.093 1.00 35.35 H new ATOM 0 HB ILE A 275 30.255 18.747 23.975 1.00 32.90 H new ATOM 0 HG12 ILE A 275 31.257 19.835 21.570 1.00 31.37 H new ATOM 0 HG13 ILE A 275 32.086 19.604 22.871 1.00 31.37 H new ATOM 0 HG21 ILE A 275 29.244 17.595 22.219 1.00 32.54 H new ATOM 0 HG22 ILE A 275 28.174 18.443 23.022 1.00 32.54 H new ATOM 0 HG23 ILE A 275 28.716 18.966 21.629 1.00 32.54 H new ATOM 0 HD11 ILE A 275 32.584 17.917 21.320 1.00 31.44 H new ATOM 0 HD12 ILE A 275 31.899 17.265 22.590 1.00 31.44 H new ATOM 0 HD13 ILE A 275 31.058 17.499 21.269 1.00 31.44 H new TER 1969 ILE A 275 HETATM 1970 C 1S6 A 301 29.429 -0.129 7.911 1.00 31.57 C HETATM 1971 N 1S6 A 301 31.179 -1.257 6.681 1.00 35.91 N HETATM 1972 CA 1S6 A 301 30.366 -1.284 7.868 1.00 35.30 C HETATM 1973 CB 1S6 A 301 31.137 -1.392 9.192 1.00 36.59 C HETATM 1974 CAA 1S6 A 301 34.391 -0.585 5.631 1.00 43.10 C HETATM 1975 CAB 1S6 A 301 33.513 -1.283 11.635 1.00 36.58 C HETATM 1976 CAC 1S6 A 301 35.029 -0.812 9.556 1.00 32.36 C HETATM 1977 OAE 1S6 A 301 31.939 1.582 11.425 1.00 47.59 O HETATM 1978 OAF 1S6 A 301 31.359 -3.501 6.647 1.00 39.09 O HETATM 1979 OAH 1S6 A 301 34.147 1.493 11.362 1.00 39.91 O HETATM 1980 CAI 1S6 A 301 29.589 -6.309 2.414 1.00 51.93 C HETATM 1981 CAJ 1S6 A 301 29.911 -5.249 1.541 1.00 49.63 C HETATM 1982 CAK 1S6 A 301 30.120 -6.313 3.719 1.00 49.50 C HETATM 1983 CAL 1S6 A 301 30.733 -4.191 1.953 1.00 43.16 C HETATM 1984 CAM 1S6 A 301 30.944 -5.248 4.120 1.00 45.93 C HETATM 1985 NAN 1S6 A 301 33.230 -2.706 2.938 1.00 51.05 N HETATM 1986 NAP 1S6 A 301 31.532 -0.142 9.735 1.00 32.52 N HETATM 1987 OAQ 1S6 A 301 34.018 -1.813 3.578 1.00 44.47 O HETATM 1988 SAR 1S6 A 301 32.692 -2.192 9.007 1.00 31.17 S HETATM 1989 CAT 1S6 A 301 33.024 1.078 11.007 1.00 41.49 C HETATM 1990 CAU 1S6 A 301 31.570 -2.417 6.168 1.00 39.90 C HETATM 1991 CAV 1S6 A 301 33.597 -1.556 4.825 1.00 43.48 C HETATM 1992 CAW 1S6 A 301 31.199 -4.155 3.254 1.00 43.89 C HETATM 1993 CAX 1S6 A 301 32.162 -3.098 3.693 1.00 48.14 C HETATM 1994 CAY 1S6 A 301 32.381 -2.375 4.971 1.00 44.34 C HETATM 1995 CBB 1S6 A 301 32.961 0.000 9.930 1.00 34.79 C HETATM 1996 CBC 1S6 A 301 33.749 -1.373 10.142 1.00 33.76 C HETATM 1997 OXT 1S6 A 301 29.785 1.210 7.505 1.00 29.86 O HETATM 0 H9 1S6 A 301 33.513 -0.352 11.907 1.00 36.58 H new HETATM 0 H8 1S6 A 301 32.656 -1.683 11.852 1.00 36.58 H new HETATM 0 H7 1S6 A 301 35.299 -0.912 5.729 1.00 43.10 H new HETATM 0 H6 1S6 A 301 34.404 0.275 5.182 1.00 43.10 H new HETATM 0 H5 1S6 A 301 33.988 -0.485 6.507 1.00 43.10 H new HETATM 0 H4 1S6 A 301 30.504 -1.868 9.752 1.00 36.59 H new HETATM 0 H3 1S6 A 301 29.866 -2.112 7.793 1.00 35.30 H new HETATM 0 H22 1S6 A 301 33.462 0.279 9.148 1.00 34.79 H new HETATM 0 H20 1S6 A 301 30.971 0.479 9.932 1.00 32.52 H new HETATM 0 H2 1S6 A 301 31.405 -0.512 6.315 1.00 35.91 H new HETATM 0 H19 1S6 A 301 31.345 -5.261 5.003 1.00 45.93 H new HETATM 0 H18 1S6 A 301 30.973 -3.488 1.329 1.00 43.16 H new HETATM 0 H17 1S6 A 301 29.920 -7.039 4.330 1.00 49.50 H new HETATM 0 H16 1S6 A 301 29.557 -5.252 0.638 1.00 49.63 H new HETATM 0 H15 1S6 A 301 29.008 -7.028 2.119 1.00 51.93 H new HETATM 0 H13 1S6 A 301 35.086 0.137 9.751 1.00 32.36 H new HETATM 0 H12 1S6 A 301 35.791 -1.268 9.947 1.00 32.36 H new HETATM 0 H11 1S6 A 301 35.031 -0.945 8.595 1.00 32.36 H new HETATM 0 H10 1S6 A 301 34.218 -1.756 12.103 1.00 36.58 H new HETATM 1998 S SO4 A 302 10.375 -11.684 0.805 1.00 55.47 S HETATM 1999 O1 SO4 A 302 10.444 -10.418 -0.002 1.00 50.42 O HETATM 2000 O2 SO4 A 302 9.199 -12.476 0.383 1.00 63.37 O HETATM 2001 O3 SO4 A 302 11.635 -12.456 0.546 1.00 59.34 O HETATM 2002 O4 SO4 A 302 10.274 -11.482 2.295 1.00 60.07 O HETATM 2003 S SO4 A 303 15.272 14.461 -3.947 1.00 64.73 S HETATM 2004 O1 SO4 A 303 16.352 13.656 -4.626 1.00 58.46 O HETATM 2005 O2 SO4 A 303 14.391 14.854 -5.042 1.00 72.53 O HETATM 2006 O3 SO4 A 303 14.465 13.624 -3.022 1.00 50.55 O HETATM 2007 O4 SO4 A 303 15.826 15.762 -3.364 1.00 51.90 O HETATM 2008 S SO4 A 304 14.354 20.237 21.060 1.00133.28 S HETATM 2009 O1 SO4 A 304 15.645 20.131 20.319 1.00102.24 O HETATM 2010 O2 SO4 A 304 13.310 20.847 20.190 1.00122.71 O HETATM 2011 O3 SO4 A 304 13.829 18.912 21.503 1.00133.65 O HETATM 2012 O4 SO4 A 304 14.599 21.078 22.258 1.00133.00 O HETATM 2013 S SO4 A 305 38.628 -0.927 4.444 1.00106.73 S HETATM 2014 O1 SO4 A 305 39.530 0.244 4.363 1.00109.49 O HETATM 2015 O2 SO4 A 305 37.653 -0.884 3.293 1.00 79.56 O HETATM 2016 O3 SO4 A 305 39.497 -2.151 4.401 1.00 92.91 O HETATM 2017 O4 SO4 A 305 37.961 -0.805 5.778 1.00 74.39 O HETATM 2018 O HOH A 401 26.395 -12.006 16.943 1.00 22.88 O HETATM 2019 O HOH A 402 24.532 0.415 22.345 1.00 30.37 O HETATM 2020 O HOH A 403 18.654 -15.033 18.349 1.00 28.39 O HETATM 2021 O HOH A 404 26.898 23.055 0.034 1.00 29.90 O HETATM 2022 O HOH A 405 11.967 -13.179 5.852 1.00 27.35 O HETATM 2023 O HOH A 406 34.822 5.370 14.356 1.00 27.75 O HETATM 2024 O HOH A 407 20.119 16.760 -0.296 1.00 21.58 O HETATM 2025 O HOH A 408 19.627 -4.071 22.105 1.00 21.26 O HETATM 2026 O HOH A 409 16.203 12.312 5.294 1.00 21.36 O HETATM 2027 O HOH A 410 18.751 10.965 -2.287 1.00 27.75 O HETATM 2028 O HOH A 411 29.186 6.041 -2.361 1.00 18.19 O HETATM 2029 O HOH A 412 13.710 2.255 25.623 1.00 49.22 O HETATM 2030 O HOH A 413 8.901 -10.182 7.067 1.00 40.78 O HETATM 2031 O AHOH A 414 35.253 15.936 -2.371 0.50 2.75 O HETATM 2032 O BHOH A 414 37.362 13.917 -2.921 0.50 16.60 O HETATM 2033 O AHOH A 415 21.435 4.142 -7.026 0.70 28.49 O HETATM 2034 O BHOH A 415 18.466 4.309 -7.915 0.30 2.00 O HETATM 2035 O HOH A 416 10.320 -5.744 18.717 1.00 31.06 O HETATM 2036 O HOH A 417 29.433 1.680 15.457 1.00 29.58 O HETATM 2037 O HOH A 418 22.507 -4.667 25.124 1.00 26.02 O HETATM 2038 O HOH A 419 27.324 -2.517 10.876 1.00 20.45 O HETATM 2039 O HOH A 420 12.443 1.154 -5.849 1.00 38.45 O HETATM 2040 O HOH A 421 27.789 2.982 21.946 1.00 29.57 O HETATM 2041 O HOH A 422 19.821 -1.947 23.592 1.00 28.88 O HETATM 2042 O HOH A 423 22.082 -2.069 8.354 1.00 20.65 O HETATM 2043 O HOH A 424 24.885 -12.544 8.773 1.00 44.25 O HETATM 2044 O HOH A 425 41.941 16.893 11.682 1.00 40.14 O HETATM 2045 O HOH A 426 37.559 22.458 18.634 1.00 31.37 O HETATM 2046 O HOH A 427 15.050 -4.734 9.576 1.00 19.27 O HETATM 2047 O HOH A 428 14.341 20.189 7.013 1.00 40.62 O HETATM 2048 O HOH A 429 18.222 25.795 6.747 1.00 31.10 O HETATM 2049 O HOH A 430 23.982 -12.478 13.020 1.00 28.31 O HETATM 2050 O HOH A 431 17.147 -10.394 -1.418 1.00 34.46 O HETATM 2051 O HOH A 432 9.461 12.414 4.140 1.00 38.26 O HETATM 2052 O HOH A 433 26.339 2.681 19.739 1.00 22.31 O HETATM 2053 O HOH A 434 26.889 3.826 17.377 1.00 23.09 O HETATM 2054 O HOH A 435 26.834 2.199 -5.453 1.00 50.57 O HETATM 2055 O HOH A 436 28.997 4.504 15.705 1.00 29.90 O HETATM 2056 O HOH A 437 36.853 31.309 6.683 1.00 25.85 O HETATM 2057 O HOH A 438 22.439 -0.596 23.951 1.00 36.12 O HETATM 2058 O HOH A 439 33.063 33.632 6.394 1.00 40.93 O HETATM 2059 O HOH A 440 16.106 11.100 -3.397 1.00 48.67 O HETATM 2060 O HOH A 441 25.881 -2.419 8.462 1.00 20.11 O HETATM 2061 O HOH A 442 41.457 26.451 7.254 1.00 27.04 O HETATM 2062 O HOH A 443 30.599 32.274 18.108 1.00 34.69 O HETATM 2063 O HOH A 444 39.550 3.784 15.128 1.00 42.55 O HETATM 2064 O HOH A 445 18.678 -7.555 20.494 1.00 21.60 O HETATM 2065 O HOH A 446 33.874 25.343 7.560 1.00 27.60 O HETATM 2066 O HOH A 447 29.239 19.756 27.000 1.00 51.33 O HETATM 2067 O HOH A 448 9.549 -9.311 3.595 1.00 27.90 O HETATM 2068 O HOH A 449 28.169 -18.510 19.237 1.00 26.92 O HETATM 2069 O HOH A 450 38.058 25.143 18.861 1.00 39.16 O HETATM 2070 O HOH A 451 22.648 25.743 11.869 1.00 32.06 O HETATM 2071 O HOH A 452 20.760 7.166 26.369 1.00 40.67 O HETATM 2072 O HOH A 453 16.164 10.759 3.243 1.00 28.34 O HETATM 2073 O HOH A 454 20.059 -4.878 -7.037 1.00 45.31 O HETATM 2074 O HOH A 455 34.007 36.833 25.077 1.00 56.40 O HETATM 2075 O HOH A 456 38.607 -6.518 16.742 1.00 38.29 O HETATM 2076 O HOH A 457 35.334 25.276 2.850 1.00 23.80 O HETATM 2077 O HOH A 458 25.086 23.189 1.722 1.00 26.14 O HETATM 2078 O HOH A 459 36.801 35.805 15.900 1.00 38.08 O HETATM 2079 O HOH A 460 24.876 20.062 27.637 1.00 31.89 O HETATM 2080 O AHOH A 461 20.050 -9.967 26.796 0.50 6.54 O HETATM 2081 O BHOH A 461 19.019 -11.987 27.880 0.50 16.62 O HETATM 2082 O HOH A 462 42.982 18.006 2.167 1.00 38.28 O HETATM 2083 O HOH A 463 38.320 29.083 16.348 1.00 39.95 O HETATM 2084 O HOH A 464 37.744 36.058 11.837 1.00 30.63 O HETATM 2085 O HOH A 465 17.171 -0.277 23.563 1.00 28.72 O HETATM 2086 O HOH A 466 40.006 38.505 9.107 1.00 36.98 O HETATM 2087 O HOH A 467 32.851 3.814 -0.584 1.00 36.68 O HETATM 2088 O HOH A 468 38.684 -12.697 12.696 1.00 49.19 O HETATM 2089 O HOH A 469 31.875 13.446 -3.726 1.00 31.09 O HETATM 2090 O HOH A 470 41.446 28.212 5.002 1.00 28.23 O HETATM 2091 O HOH A 471 32.479 4.006 14.960 1.00 43.37 O HETATM 2092 O HOH A 472 31.300 5.846 16.646 1.00 23.66 O HETATM 2093 O HOH A 473 21.410 27.926 6.522 1.00 28.95 O HETATM 2094 O AHOH A 474 19.349 -5.706 26.010 0.50 11.48 O HETATM 2095 O BHOH A 474 19.542 -7.299 27.788 0.50 11.42 O HETATM 2096 O HOH A 475 34.720 30.541 4.780 1.00 39.57 O HETATM 2097 O HOH A 476 22.664 6.216 -8.017 1.00 47.59 O HETATM 2098 O HOH A 477 13.992 11.214 7.503 1.00 30.82 O HETATM 2099 O HOH A 478 29.869 29.896 12.140 1.00 37.57 O HETATM 2100 O HOH A 479 20.885 -16.272 17.097 1.00 31.26 O HETATM 2101 O HOH A 480 13.061 13.455 24.749 1.00 45.01 O HETATM 2102 O HOH A 481 22.318 15.600 28.001 1.00 39.91 O HETATM 2103 O HOH A 482 19.069 13.380 -3.754 1.00 46.05 O HETATM 2104 O HOH A 483 40.648 25.104 16.598 1.00 40.26 O HETATM 2105 O HOH A 484 13.540 -3.077 -4.303 1.00 35.21 O HETATM 2106 O HOH A 485 15.491 15.491 0.000 0.50 41.50 O HETATM 2107 O HOH A 486 29.956 34.514 15.182 1.00 38.42 O HETATM 2108 O HOH A 487 29.156 -10.320 6.043 1.00 47.34 O HETATM 2109 O HOH A 488 36.345 1.358 13.233 1.00 48.63 O HETATM 2110 O HOH A 489 15.354 -0.353 25.403 1.00 36.83 O HETATM 2111 O HOH A 490 20.446 7.745 -6.872 1.00 33.27 O HETATM 2112 O HOH A 491 45.229 18.956 3.348 1.00 40.09 O HETATM 2113 O AHOH A 492 36.658 7.929 19.150 0.50 21.36 O HETATM 2114 O BHOH A 492 34.723 8.298 20.693 0.50 27.19 O HETATM 2115 O HOH A 493 32.629 -10.901 8.571 1.00 26.82 O HETATM 2116 O HOH A 494 12.313 -5.244 22.497 1.00 33.24 O HETATM 2117 O HOH A 495 24.723 21.486 -2.917 1.00 31.61 O HETATM 2118 O AHOH A 496 12.668 -12.439 17.477 0.50 19.64 O HETATM 2119 O BHOH A 496 11.477 -12.074 16.007 0.50 17.70 O HETATM 2120 O HOH A 497 28.812 -3.783 22.396 1.00 41.86 O HETATM 2121 O HOH A 498 30.210 2.865 21.505 1.00 33.72 O HETATM 2122 O AHOH A 499 20.142 -4.607 -3.826 0.70 19.76 O HETATM 2123 O BHOH A 499 22.799 -4.476 -3.751 0.30 4.03 O HETATM 2124 O AHOH A 500 24.718 1.656 -7.282 0.70 27.03 O HETATM 2125 O BHOH A 500 24.492 -0.428 -6.908 0.30 5.34 O HETATM 2126 O AHOH A 501 3.528 5.310 19.721 0.70 26.00 O HETATM 2127 O BHOH A 501 4.866 4.011 21.639 0.30 5.90 O HETATM 2128 O AHOH A 502 18.395 12.293 22.748 0.70 24.34 O HETATM 2129 O BHOH A 502 15.719 12.088 22.095 0.30 9.50 O HETATM 2130 O HOH A 503 43.695 7.164 -0.636 1.00 37.04 O HETATM 2131 O HOH A 504 33.637 9.980 -0.853 1.00 37.13 O HETATM 2132 O HOH A 505 38.978 2.060 12.775 1.00 56.31 O HETATM 2133 O HOH A 506 25.267 12.740 -6.421 1.00 28.05 O HETATM 2134 O HOH A 507 5.818 1.638 1.288 1.00 33.53 O HETATM 2135 O HOH A 508 14.399 11.051 0.240 1.00 34.83 O HETATM 2136 O AHOH A 509 19.536 -16.052 24.134 0.50 12.66 O HETATM 2137 O BHOH A 509 18.155 -14.254 23.353 0.50 7.99 O HETATM 2138 O AHOH A 510 15.732 -6.836 29.643 0.50 17.52 O HETATM 2139 O BHOH A 510 17.586 -7.872 29.596 0.50 9.98 O CONECT 1970 1972 1997 CONECT 1971 1972 1990 CONECT 1972 1970 1971 1973 CONECT 1973 1972 1986 1988 CONECT 1974 1991 CONECT 1975 1996 CONECT 1976 1996 CONECT 1977 1989 CONECT 1978 1990 CONECT 1979 1989 CONECT 1980 1981 1982 CONECT 1981 1980 1983 CONECT 1982 1980 1984 CONECT 1983 1981 1992 CONECT 1984 1982 1992 CONECT 1985 1987 1993 CONECT 1986 1973 1995 CONECT 1987 1985 1991 CONECT 1988 1973 1996 CONECT 1989 1977 1979 1995 CONECT 1990 1971 1978 1994 CONECT 1991 1974 1987 1994 CONECT 1992 1983 1984 1993 CONECT 1993 1985 1992 1994 CONECT 1994 1990 1991 1993 CONECT 1995 1986 1989 1996 CONECT 1996 1975 1976 1988 1995 CONECT 1997 1970 CONECT 1998 1999 2000 2001 2002 CONECT 1999 1998 CONECT 2000 1998 CONECT 2001 1998 CONECT 2002 1998 CONECT 2003 2004 2005 2006 2007 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 2003 CONECT 2008 2009 2010 2011 2012 CONECT 2009 2008 CONECT 2010 2008 CONECT 2011 2008 CONECT 2012 2008 CONECT 2013 2014 2015 2016 2017 CONECT 2014 2013 CONECT 2015 2013 CONECT 2016 2013 CONECT 2017 2013 END