HEADER MOTOR PROTEIN 22-JUL-13 4BYZ TITLE STRUCTURAL CHARACTERIZATION USING SULFUR-SAD OF THE TITLE 2 CYTOPLASMIC DOMAIN OF BURKHOLDERIA PSEUDOMALLEI PILO2BP, TITLE 3 AN ACTIN-LIKE PROTEIN COMPONENT OF A TYPE IVB R64- TITLE 4 DERIVATIVE PILUS MACHINERY. CAVEAT 4BYZ GLN A 20 CHECK SIDE CONFORMATION CAVEAT 2 4BYZ ATOM NE2 CLOSE TO K A1198 DISTANCE 3.07 COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYPE IV PILUS BIOSYNTHESIS PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-192; COMPND 5 SYNONYM: N-PILO2BP; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; SOURCE 3 ORGANISM_TAXID: 272560; SOURCE 4 STRAIN: K96243; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VARIANT: C41; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET151/TOPO KEYWDS MOTOR PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR P.LASSAUX,B.A.MANJASETTY,O.CONCHILLO-SOLE,D.YERO,L.GOURLAY, AUTHOR 2 L.PERLETTI,X.DAURA,H.BELRHALI,M.BOLOGNESI REVDAT 1 23-APR-14 4BYZ 0 JRNL AUTH P.LASSAUX,O.CONCHILLO-SOLE,B.A.MANJASETTY,D.YERO,L.PERLETTI, JRNL AUTH 2 H.BELRHALI,X.DAURA,L.J.GOURLAY,M.BOLOGNESI JRNL TITL REDEFINING THE PF06864 PFAM FAMILY BASED ON BURKHOLDERIA JRNL TITL 2 PSEUDOMALLEI PILO2BP S-SAD CRYSTAL STRUCTURE. JRNL REF PLOS ONE V. 9 94981 2014 JRNL REFN ISSN 1932-6203 JRNL PMID 24728008 JRNL DOI 10.1371/JOURNAL.PONE.0094981 REMARK 2 REMARK 2 RESOLUTION. 1.55 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0029 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.03 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 99.96 REMARK 3 NUMBER OF REFLECTIONS : 26448 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) : 0.15209 REMARK 3 R VALUE (WORKING SET) : 0.14961 REMARK 3 FREE R VALUE : 0.19844 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.2 REMARK 3 FREE R VALUE TEST SET COUNT : 1438 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.550 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.590 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1913 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.229 REMARK 3 BIN FREE R VALUE SET COUNT : 98 REMARK 3 BIN FREE R VALUE : 0.281 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1624 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 189 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.641 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.54 REMARK 3 B22 (A**2) : -0.54 REMARK 3 B33 (A**2) : 1.09 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.100 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.082 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.051 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.150 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.971 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1666 ; 0.006 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1605 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2258 ; 1.372 ; 1.938 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3646 ; 0.762 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 195 ; 5.760 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 91 ;30.762 ;21.429 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 279 ;14.219 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 26 ;16.387 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 230 ; 0.076 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1896 ; 0.005 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 452 ; 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): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): 3270 ; 2.831 ; 3.000 REMARK 3 SPHERICITY; FREE ATOMS (A**2): 41 ;31.119 ; 5.000 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 3383 ;11.143 ; 5.000 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 : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 5 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A -1 A 16 REMARK 3 RESIDUE RANGE : A 17 A 83 REMARK 3 RESIDUE RANGE : A 84 A 95 REMARK 3 RESIDUE RANGE : A 96 A 164 REMARK 3 RESIDUE RANGE : A 165 A 192 REMARK 3 ORIGIN FOR THE GROUP (A): 12.9900 1.8330 46.6070 REMARK 3 T TENSOR REMARK 3 T11: 0.0099 T22: 0.0106 REMARK 3 T33: 0.0001 T12: 0.0003 REMARK 3 T13: 0.0001 T23: -0.0004 REMARK 3 L TENSOR REMARK 3 L11: 0.0091 L22: 0.0190 REMARK 3 L33: 0.0094 L12: 0.0115 REMARK 3 L13: -0.0010 L23: 0.0050 REMARK 3 S TENSOR REMARK 3 S11: -0.0001 S12: -0.0013 S13: 0.0001 REMARK 3 S21: -0.0008 S22: 0.0004 S23: -0.0002 REMARK 3 S31: 0.0001 S32: 0.0013 S33: -0.0002 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : 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 REMARK 3 RIDING POSITIONS. U VALUES WITH TLS ADDED REMARK 4 REMARK 4 4BYZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 22-JUL-13. REMARK 100 THE PDBE ID CODE IS EBI-57312. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-MAR-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : BM14 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97872 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD (MAR225) REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL2000 REMARK 200 DATA SCALING SOFTWARE : HKL2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 27940 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.55 REMARK 200 RESOLUTION RANGE LOW (A) : 50.00 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 10.3 REMARK 200 R MERGE (I) : 0.06 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 35.90 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.93 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 10.1 REMARK 200 R MERGE FOR SHELL (I) : 0.68 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.95 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NONE REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.13 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.3 M SODIUM POTASSIUM REMARK 280 PHOSPHATE PH 7.8 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 58.50000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 28.02100 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 28.02100 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 29.25000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 28.02100 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 28.02100 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 87.75000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 28.02100 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 28.02100 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 29.25000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 28.02100 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 28.02100 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 87.75000 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 58.50000 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 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 37 CD CE NZ REMARK 470 ARG A 154 CZ REMARK 470 ARG A 190 CG CD NE CZ NH1 NH2 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 O HOH A 2033 O HOH A 2074 2.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1194 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A2045 O REMARK 620 2 TRP A 19 O 92.3 REMARK 620 3 K A1198 K 117.4 132.6 REMARK 620 4 GLN A 20 OE1 95.2 106.8 106.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1195 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 115 O REMARK 620 2 HOH A2097 O 106.8 REMARK 620 3 ARG A 47 NH2 125.5 115.2 REMARK 620 4 HOH A2084 O 101.5 129.0 77.9 REMARK 620 5 SER A 76 OG 93.5 76.5 65.8 142.9 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1196 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A2137 O REMARK 620 2 HOH A2152 O 65.9 REMARK 620 3 SER A 23 O 117.9 56.6 REMARK 620 4 ASN A 120 N 116.2 149.5 124.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1197 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY A 72 N REMARK 620 2 ASP A 122 OD1 91.9 REMARK 620 3 ASP A 122 OD2 104.3 39.4 REMARK 620 4 SER A 70 OG 74.8 148.9 116.2 REMARK 620 5 VAL A 14 O 99.4 98.2 130.8 111.4 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A1198 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 21 O REMARK 620 2 K A1194 K 102.9 REMARK 620 3 HOH A2070 O 123.5 127.6 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A1193 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1194 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1195 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1196 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1197 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A1198 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4BZ0 RELATED DB: PDB REMARK 900 STRUCTURAL CHARACTERIZATION USING SULFUR-SAD OF THE REMARK 900 CYTOPLASMIC DOMAIN OF BURKHOLDERIA PSEUDOMALLEI PILO2BP, REMARK 900 AN ACTIN-LIKE PROTEIN COMPONENT OF A TYPE IVB R64- REMARK 900 DERIVATIVE PILUS MACHINERY. REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE FIRST TWO AMINO ACID PRESENT IN THE STRUCTURE REMAIN REMARK 999 FROM THE PLASMID AFTER CUTTING OF THE TAG. DBREF 4BYZ A 1 192 UNP Q63JW5 Q63JW5_BURPS 1 192 SEQADV 4BYZ TYR A -1 UNP Q63JW5 EXPRESSION TAG SEQADV 4BYZ THR A 0 UNP Q63JW5 EXPRESSION TAG SEQRES 1 A 194 TYR THR MET SER ALA GLN VAL ILE GLN ILE GLY ARG GLN SEQRES 2 A 194 ARG PHE VAL GLY GLY LEU PHE TRP GLN SER LEU SER ARG SEQRES 3 A 194 ARG ASN GLU LEU ARG ALA GLU ALA VAL GLU LEU ALA LYS SEQRES 4 A 194 LYS LEU LYS PHE ASP LEU MET VAL LEU ARG ILE ASP ARG SEQRES 5 A 194 GLY VAL ALA ALA ALA GLY TYR ALA ASN THR ARG ASP GLY SEQRES 6 A 194 PHE ALA PRO GLY HIS LEU SER LEU GLY ALA MET VAL SER SEQRES 7 A 194 ARG ALA ILE ALA LEU GLU GLY ALA PHE TYR ASN GLY ARG SEQRES 8 A 194 ARG GLN PRO ALA PRO ASN TRP LEU GLY ALA PHE ALA LEU SEQRES 9 A 194 PRO ASP GLY ARG TRP ALA TYR PHE ALA VAL ARG ASP HIS SEQRES 10 A 194 ALA PHE MET PRO ASN GLY ASP TRP VAL GLY SER ARG GLU SEQRES 11 A 194 GLU ALA LEU GLU ARG LEU HIS THR ASP TYR ALA TRP GLY SEQRES 12 A 194 GLY TRP ASN VAL VAL ILE GLY GLU PRO GLU LEU GLU ARG SEQRES 13 A 194 GLN GLY PHE GLN ASN PHE GLN PRO LYS ARG LEU ASP ASP SEQRES 14 A 194 LEU LEU PRO ARG ARG GLY GLY ARG PRO ARG THR GLU ARG SEQRES 15 A 194 TRP TRP ALA LEU ARG PRO VAL GLU ARG ARG LEU SER HET PO4 A1193 5 HET K A1194 1 HET K A1195 1 HET K A1196 1 HET K A1197 1 HET K A1198 1 HETNAM K POTASSIUM ION HETNAM PO4 PHOSPHATE ION FORMUL 2 K 5(K 1+) FORMUL 3 PO4 O4 P 3- FORMUL 4 HOH *189(H2 O) HELIX 1 1 GLU A 27 LYS A 40 1 14 HELIX 2 2 ASN A 59 GLY A 63 5 5 HELIX 3 3 LEU A 71 GLY A 83 1 13 HELIX 4 4 SER A 126 ALA A 139 1 14 HELIX 5 5 GLU A 149 GLY A 156 5 8 HELIX 6 6 ARG A 164 LEU A 169 1 6 HELIX 7 7 GLU A 179 TRP A 182 5 4 SHEET 1 AA 3 ILE A 6 ILE A 8 0 SHEET 2 AA 3 GLN A 11 VAL A 14 -1 O GLN A 11 N ILE A 8 SHEET 3 AA 3 LEU A 69 SER A 70 1 O LEU A 69 N VAL A 14 SHEET 1 AB 4 PHE A 18 SER A 21 0 SHEET 2 AB 4 VAL A 52 ALA A 58 -1 O ALA A 55 N GLN A 20 SHEET 3 AB 4 LEU A 43 ASP A 49 -1 O LEU A 43 N ALA A 58 SHEET 4 AB 4 ARG A 185 PRO A 186 -1 O ARG A 185 N MET A 44 SHEET 1 AC 2 ALA A 84 TYR A 86 0 SHEET 2 AC 2 ARG A 89 GLN A 91 -1 O ARG A 89 N TYR A 86 SHEET 1 AD 5 ALA A 116 GLY A 125 0 SHEET 2 AD 5 TRP A 107 ARG A 113 -1 O TRP A 107 N GLY A 125 SHEET 3 AD 5 TRP A 96 ALA A 101 -1 O TRP A 96 N VAL A 112 SHEET 4 AD 5 VAL A 145 GLY A 148 1 O VAL A 145 N LEU A 97 SHEET 5 AD 5 PHE A 160 PRO A 162 1 O GLN A 161 N GLY A 148 SHEET 1 AE 2 ARG A 171 ARG A 172 0 SHEET 2 AE 2 ARG A 175 PRO A 176 -1 O ARG A 175 N ARG A 172 LINK K K A1194 O HOH A2045 1555 1555 2.75 LINK K K A1194 O TRP A 19 1555 1555 2.75 LINK K K A1194 K K A1198 1555 7556 2.81 LINK K K A1194 OE1 GLN A 20 1555 1555 2.75 LINK K K A1195 O HIS A 115 1555 1555 2.76 LINK K K A1195 O HOH A2097 1555 1555 2.80 LINK K K A1195 NH2 ARG A 47 1555 1555 3.07 LINK K K A1195 O HOH A2084 1555 1555 2.92 LINK K K A1195 OG SER A 76 1555 1555 3.12 LINK K K A1196 O SER A 23 1555 1555 2.71 LINK K K A1196 O HOH A2152 1555 7556 3.48 LINK K K A1196 N ASN A 120 1555 7556 3.04 LINK K K A1196 O HOH A2137 1555 7556 2.54 LINK K K A1197 OD1 ASP A 122 1555 1555 3.47 LINK K K A1197 OD2 ASP A 122 1555 1555 2.64 LINK K K A1197 OG SER A 70 1555 1555 2.76 LINK K K A1197 O VAL A 14 1555 1555 2.91 LINK K K A1197 N GLY A 72 1555 1555 2.99 LINK K K A1198 O HOH A2070 1555 1555 2.79 LINK K K A1198 O SER A 21 1555 1555 2.69 SITE 1 AC1 9 ASP A 42 ASP A 49 ARG A 50 ARG A 61 SITE 2 AC1 9 ARG A 77 ARG A 189 HOH A2083 HOH A2183 SITE 3 AC1 9 HOH A2189 SITE 1 AC2 6 PHE A 18 TRP A 19 GLN A 20 PRO A 119 SITE 2 AC2 6 K A1198 HOH A2045 SITE 1 AC3 5 ARG A 47 SER A 76 HIS A 115 HOH A2084 SITE 2 AC3 5 HOH A2097 SITE 1 AC4 4 SER A 23 MET A 118 ASN A 120 HOH A2137 SITE 1 AC5 5 VAL A 14 SER A 70 LEU A 71 GLY A 72 SITE 2 AC5 5 ASP A 122 SITE 1 AC6 6 PHE A 18 GLN A 20 SER A 21 PRO A 119 SITE 2 AC6 6 K A1194 HOH A2070 CRYST1 56.042 56.042 117.000 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 0.017844 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017844 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008547 0.00000 ATOM 1 N TYR A -1 34.651 12.048 49.632 1.00 30.43 N ATOM 2 CA TYR A -1 34.228 11.374 48.365 1.00 30.57 C ATOM 3 C TYR A -1 34.169 9.868 48.557 0.50 32.98 C ATOM 4 O TYR A -1 35.016 9.123 48.061 1.00 37.20 O ATOM 5 CB TYR A -1 35.151 11.752 47.203 1.00 30.82 C ATOM 6 CG TYR A -1 34.956 13.185 46.775 1.00 29.72 C ATOM 7 CD1 TYR A -1 33.758 13.593 46.205 1.00 32.48 C ATOM 8 CD2 TYR A -1 35.952 14.139 46.958 0.50 27.05 C ATOM 9 CE1 TYR A -1 33.559 14.904 45.819 1.00 32.60 C ATOM 10 CE2 TYR A -1 35.757 15.456 46.570 0.50 25.79 C ATOM 11 CZ TYR A -1 34.557 15.834 46.003 0.50 28.22 C ATOM 12 OH TYR A -1 34.347 17.141 45.609 1.00 24.76 O ATOM 13 N THR A 0 33.145 9.442 49.290 1.00 31.52 N ATOM 14 CA THR A 0 32.967 8.042 49.652 0.50 30.78 C ATOM 15 C THR A 0 32.707 7.167 48.431 0.50 31.74 C ATOM 16 O THR A 0 33.215 6.051 48.352 1.00 37.39 O ATOM 17 CB THR A 0 31.820 7.879 50.667 0.50 28.58 C ATOM 18 OG1 THR A 0 30.675 8.616 50.220 0.50 25.55 O ATOM 19 CG2 THR A 0 32.246 8.405 52.025 0.50 29.19 C ATOM 20 N MET A 1 31.913 7.675 47.487 1.00 32.15 N ATOM 21 CA MET A 1 31.657 6.991 46.214 0.50 30.38 C ATOM 22 C MET A 1 31.175 5.558 46.411 1.00 30.65 C ATOM 23 O MET A 1 31.657 4.627 45.756 1.00 32.52 O ATOM 24 CB MET A 1 32.908 7.019 45.337 1.00 31.39 C ATOM 25 CG MET A 1 33.251 8.407 44.860 1.00 26.59 C ATOM 26 SD MET A 1 32.375 8.827 43.346 1.00 21.88 S ATOM 27 CE MET A 1 32.259 10.599 43.582 1.00 27.61 C ATOM 28 N SER A 2 30.212 5.398 47.311 1.00 27.19 N ATOM 29 CA SER A 2 29.678 4.082 47.642 1.00 30.03 C ATOM 30 C SER A 2 28.664 3.597 46.602 1.00 32.82 C ATOM 31 O SER A 2 28.458 2.389 46.468 1.00 33.13 O ATOM 32 CB SER A 2 29.054 4.087 49.046 1.00 32.05 C ATOM 33 OG SER A 2 27.999 5.029 49.151 1.00 29.89 O ATOM 34 N ALA A 3 28.047 4.529 45.867 1.00 28.00 N ATOM 35 CA ALA A 3 27.064 4.176 44.837 1.00 25.51 C ATOM 36 C ALA A 3 27.724 3.550 43.611 1.00 25.58 C ATOM 37 O ALA A 3 28.711 4.070 43.095 1.00 27.64 O ATOM 38 CB ALA A 3 26.262 5.398 44.410 1.00 23.96 C ATOM 39 N GLN A 4 27.156 2.438 43.154 1.00 24.30 N ATOM 40 CA GLN A 4 27.526 1.815 41.889 1.00 23.33 C ATOM 41 C GLN A 4 26.244 1.613 41.081 1.00 19.72 C ATOM 42 O GLN A 4 25.337 0.921 41.538 1.00 20.39 O ATOM 43 CB GLN A 4 28.214 0.469 42.134 1.00 25.77 C ATOM 44 CG GLN A 4 28.417 -0.367 40.879 0.50 28.40 C ATOM 45 CD GLN A 4 29.231 -1.627 41.110 0.50 32.44 C ATOM 46 OE1 GLN A 4 29.429 -2.060 42.246 1.00 37.87 O ATOM 47 NE2 GLN A 4 29.707 -2.227 40.022 1.00 36.74 N ATOM 48 N VAL A 5 26.163 2.233 39.902 1.00 19.16 N ATOM 49 CA VAL A 5 24.991 2.084 39.024 1.00 18.67 C ATOM 50 C VAL A 5 24.682 0.607 38.814 1.00 17.05 C ATOM 51 O VAL A 5 25.583 -0.246 38.793 1.00 18.24 O ATOM 52 CB AVAL A 5 25.210 2.803 37.658 0.50 19.04 C ATOM 53 CG1AVAL A 5 24.500 2.104 36.498 0.50 19.18 C ATOM 54 CG2AVAL A 5 24.759 4.251 37.733 0.50 20.02 C ATOM 55 CB BVAL A 5 25.149 2.778 37.649 0.50 19.55 C ATOM 56 CG1BVAL A 5 25.268 4.286 37.803 0.50 21.08 C ATOM 57 CG2BVAL A 5 26.330 2.213 36.872 0.50 20.21 C ATOM 58 N ILE A 6 23.394 0.315 38.691 1.00 14.77 N ATOM 59 CA ILE A 6 22.909 -1.014 38.397 1.00 15.50 C ATOM 60 C ILE A 6 22.406 -0.976 36.961 1.00 15.47 C ATOM 61 O ILE A 6 21.421 -0.296 36.668 1.00 15.73 O ATOM 62 CB ILE A 6 21.743 -1.396 39.328 1.00 17.12 C ATOM 63 CG1 ILE A 6 22.109 -1.162 40.800 1.00 15.46 C ATOM 64 CG2 ILE A 6 21.332 -2.841 39.100 1.00 20.45 C ATOM 65 CD1 ILE A 6 20.886 -1.034 41.673 1.00 16.22 C ATOM 66 N GLN A 7 23.096 -1.681 36.067 1.00 16.45 N ATOM 67 CA GLN A 7 22.696 -1.738 34.669 1.00 16.85 C ATOM 68 C GLN A 7 21.656 -2.843 34.482 1.00 16.44 C ATOM 69 O GLN A 7 21.945 -4.025 34.688 1.00 19.58 O ATOM 70 CB GLN A 7 23.916 -1.998 33.780 1.00 18.63 C ATOM 71 CG GLN A 7 23.658 -1.828 32.291 1.00 20.45 C ATOM 72 CD GLN A 7 23.680 -0.378 31.851 1.00 22.69 C ATOM 73 OE1 GLN A 7 24.592 0.372 32.209 1.00 28.53 O ATOM 74 NE2 GLN A 7 22.680 0.029 31.070 1.00 24.23 N ATOM 75 N ILE A 8 20.441 -2.446 34.116 1.00 13.39 N ATOM 76 CA ILE A 8 19.366 -3.388 33.812 1.00 14.24 C ATOM 77 C ILE A 8 18.946 -3.101 32.372 1.00 15.85 C ATOM 78 O ILE A 8 18.233 -2.135 32.097 1.00 15.73 O ATOM 79 CB ILE A 8 18.177 -3.268 34.801 1.00 14.29 C ATOM 80 CG1 ILE A 8 18.668 -3.422 36.255 1.00 13.46 C ATOM 81 CG2 ILE A 8 17.112 -4.314 34.484 1.00 15.80 C ATOM 82 CD1 ILE A 8 17.566 -3.369 37.297 1.00 14.50 C ATOM 83 N GLY A 9 19.426 -3.927 31.448 1.00 16.82 N ATOM 84 CA GLY A 9 19.277 -3.632 30.027 1.00 17.13 C ATOM 85 C GLY A 9 19.869 -2.266 29.717 1.00 17.31 C ATOM 86 O GLY A 9 21.023 -2.005 30.048 1.00 19.41 O ATOM 87 N ARG A 10 19.067 -1.383 29.123 1.00 17.28 N ATOM 88 CA ARG A 10 19.511 -0.032 28.765 1.00 17.69 C ATOM 89 C ARG A 10 19.362 0.963 29.910 1.00 17.39 C ATOM 90 O ARG A 10 19.804 2.105 29.789 1.00 21.12 O ATOM 91 CB ARG A 10 18.700 0.504 27.569 1.00 19.58 C ATOM 92 CG ARG A 10 17.281 0.932 27.929 0.50 21.47 C ATOM 93 CD ARG A 10 16.652 1.910 26.947 0.50 23.47 C ATOM 94 NE ARG A 10 15.444 2.491 27.538 1.00 26.10 N ATOM 95 CZ ARG A 10 14.280 1.856 27.683 0.50 28.25 C ATOM 96 NH1 ARG A 10 14.120 0.607 27.248 1.00 30.93 N ATOM 97 NH2 ARG A 10 13.259 2.480 28.265 1.00 27.19 N ATOM 98 N GLN A 11 18.705 0.545 30.995 1.00 16.86 N ATOM 99 CA GLN A 11 18.364 1.437 32.096 1.00 15.55 C ATOM 100 C GLN A 11 19.432 1.392 33.188 1.00 15.19 C ATOM 101 O GLN A 11 19.945 0.320 33.536 1.00 16.88 O ATOM 102 CB GLN A 11 17.006 1.056 32.696 1.00 16.01 C ATOM 103 CG GLN A 11 15.832 1.256 31.741 1.00 17.22 C ATOM 104 CD GLN A 11 14.530 0.669 32.268 1.00 16.54 C ATOM 105 OE1 GLN A 11 14.483 -0.483 32.703 1.00 19.16 O ATOM 106 NE2 GLN A 11 13.465 1.461 32.234 1.00 17.88 N ATOM 107 N ARG A 12 19.750 2.562 33.730 1.00 13.47 N ATOM 108 CA ARG A 12 20.760 2.692 34.772 1.00 13.12 C ATOM 109 C ARG A 12 20.098 3.118 36.081 1.00 11.50 C ATOM 110 O ARG A 12 19.687 4.271 36.241 1.00 12.96 O ATOM 111 CB ARG A 12 21.845 3.686 34.351 1.00 15.41 C ATOM 112 CG ARG A 12 22.723 3.148 33.234 1.00 18.58 C ATOM 113 CD ARG A 12 24.000 3.962 33.064 1.00 21.97 C ATOM 114 NE ARG A 12 25.025 3.185 32.366 1.00 26.07 N ATOM 115 CZ ARG A 12 26.307 3.529 32.277 1.00 27.06 C ATOM 116 NH1 ARG A 12 26.748 4.653 32.839 1.00 27.58 N ATOM 117 NH2 ARG A 12 27.153 2.748 31.614 0.50 26.96 N ATOM 118 N PHE A 13 19.991 2.156 36.997 1.00 10.30 N ATOM 119 CA PHE A 13 19.323 2.333 38.280 1.00 10.14 C ATOM 120 C PHE A 13 20.324 2.484 39.419 1.00 11.06 C ATOM 121 O PHE A 13 21.477 2.063 39.314 1.00 12.93 O ATOM 122 CB PHE A 13 18.446 1.115 38.580 1.00 10.54 C ATOM 123 CG PHE A 13 17.177 1.052 37.773 1.00 10.53 C ATOM 124 CD1 PHE A 13 16.053 1.755 38.172 1.00 10.34 C ATOM 125 CD2 PHE A 13 17.097 0.273 36.630 1.00 10.73 C ATOM 126 CE1 PHE A 13 14.874 1.695 37.453 1.00 10.98 C ATOM 127 CE2 PHE A 13 15.914 0.209 35.905 1.00 11.87 C ATOM 128 CZ PHE A 13 14.806 0.916 36.316 1.00 11.01 C ATOM 129 N VAL A 14 19.853 3.060 40.523 1.00 10.37 N ATOM 130 CA VAL A 14 20.636 3.152 41.743 1.00 10.65 C ATOM 131 C VAL A 14 19.779 2.784 42.942 1.00 10.59 C ATOM 132 O VAL A 14 18.573 3.067 42.979 1.00 10.98 O ATOM 133 CB VAL A 14 21.237 4.555 41.974 1.00 12.82 C ATOM 134 CG1 VAL A 14 22.285 4.885 40.928 1.00 14.20 C ATOM 135 CG2 VAL A 14 20.169 5.635 42.024 1.00 12.50 C ATOM 136 N GLY A 15 20.424 2.152 43.917 1.00 10.72 N ATOM 137 CA GLY A 15 19.872 1.948 45.243 1.00 9.89 C ATOM 138 C GLY A 15 20.619 2.799 46.243 1.00 10.42 C ATOM 139 O GLY A 15 21.606 3.441 45.905 1.00 11.98 O ATOM 140 N GLY A 16 20.142 2.807 47.484 1.00 9.16 N ATOM 141 CA GLY A 16 20.844 3.484 48.571 1.00 9.71 C ATOM 142 C GLY A 16 20.452 4.919 48.810 1.00 9.61 C ATOM 143 O GLY A 16 21.231 5.683 49.377 1.00 11.85 O ATOM 144 N LEU A 17 19.250 5.309 48.399 1.00 9.76 N ATOM 145 CA LEU A 17 18.758 6.645 48.730 1.00 9.36 C ATOM 146 C LEU A 17 18.337 6.696 50.191 1.00 9.58 C ATOM 147 O LEU A 17 17.943 5.682 50.787 1.00 10.67 O ATOM 148 CB LEU A 17 17.579 7.059 47.845 1.00 9.46 C ATOM 149 CG LEU A 17 17.765 6.987 46.334 1.00 10.79 C ATOM 150 CD1 LEU A 17 16.570 7.616 45.620 1.00 11.66 C ATOM 151 CD2 LEU A 17 19.071 7.563 45.823 1.00 13.17 C ATOM 152 N PHE A 18 18.412 7.892 50.755 1.00 9.44 N ATOM 153 CA PHE A 18 17.905 8.137 52.097 1.00 9.02 C ATOM 154 C PHE A 18 16.476 8.655 51.959 1.00 9.21 C ATOM 155 O PHE A 18 16.232 9.646 51.263 1.00 10.31 O ATOM 156 CB PHE A 18 18.761 9.172 52.793 1.00 9.16 C ATOM 157 CG PHE A 18 18.263 9.534 54.149 1.00 10.26 C ATOM 158 CD1 PHE A 18 18.574 8.741 55.244 1.00 11.30 C ATOM 159 CD2 PHE A 18 17.461 10.645 54.326 1.00 10.30 C ATOM 160 CE1 PHE A 18 18.108 9.066 56.498 1.00 11.91 C ATOM 161 CE2 PHE A 18 16.985 10.969 55.569 1.00 10.21 C ATOM 162 CZ PHE A 18 17.319 10.186 56.652 1.00 10.94 C ATOM 163 N TRP A 19 15.536 7.972 52.603 1.00 8.76 N ATOM 164 CA TRP A 19 14.120 8.252 52.408 1.00 8.67 C ATOM 165 C TRP A 19 13.527 9.029 53.571 1.00 8.91 C ATOM 166 O TRP A 19 13.730 8.677 54.735 1.00 9.98 O ATOM 167 CB TRP A 19 13.340 6.965 52.143 1.00 8.22 C ATOM 168 CG TRP A 19 13.634 6.431 50.768 1.00 8.66 C ATOM 169 CD1 TRP A 19 14.573 5.508 50.438 1.00 9.09 C ATOM 170 CD2 TRP A 19 12.996 6.821 49.546 1.00 8.21 C ATOM 171 NE1 TRP A 19 14.569 5.293 49.069 1.00 9.01 N ATOM 172 CE2 TRP A 19 13.608 6.090 48.507 1.00 9.03 C ATOM 173 CE3 TRP A 19 11.970 7.711 49.233 1.00 8.82 C ATOM 174 CZ2 TRP A 19 13.208 6.217 47.172 1.00 9.04 C ATOM 175 CZ3 TRP A 19 11.595 7.854 47.915 1.00 9.25 C ATOM 176 CH2 TRP A 19 12.204 7.102 46.905 1.00 8.77 C ATOM 177 N GLN A 20 12.803 10.087 53.227 1.00 10.36 N ATOM 178 CA GLN A 20 12.225 11.043 54.167 1.00 10.77 C ATOM 179 C GLN A 20 10.759 11.257 53.829 1.00 11.46 C ATOM 180 O GLN A 20 10.424 11.774 52.759 1.00 12.27 O ATOM 181 CB GLN A 20 12.977 12.372 54.071 1.00 10.45 C ATOM 182 CG GLN A 20 12.480 13.497 54.970 1.00 9.97 C ATOM 183 CD GLN A 20 12.924 13.363 56.420 1.00 10.04 C ATOM 184 OE1 GLN A 20 13.828 12.604 56.751 1.00 10.32 O ATOM 185 NE2 GLN A 20 12.310 14.132 57.286 1.00 11.44 N ATOM 186 N SER A 21 9.892 10.860 54.751 1.00 12.96 N ATOM 187 CA SER A 21 8.479 11.126 54.587 1.00 14.27 C ATOM 188 C SER A 21 8.207 12.616 54.825 1.00 12.60 C ATOM 189 O SER A 21 8.856 13.261 55.649 1.00 13.13 O ATOM 190 CB ASER A 21 7.653 10.377 55.632 0.50 16.25 C ATOM 191 OG ASER A 21 7.638 11.055 56.870 0.25 16.15 O ATOM 192 CB BSER A 21 7.636 10.124 55.384 0.50 17.71 C ATOM 193 OG BSER A 21 7.774 8.802 54.824 0.75 18.32 O ATOM 194 N LEU A 22 7.266 13.157 54.067 1.00 12.57 N ATOM 195 CA LEU A 22 6.957 14.575 54.096 1.00 11.43 C ATOM 196 C LEU A 22 5.715 14.833 54.952 1.00 11.93 C ATOM 197 O LEU A 22 4.953 13.916 55.266 1.00 12.06 O ATOM 198 CB LEU A 22 6.796 15.102 52.660 1.00 11.37 C ATOM 199 CG LEU A 22 8.055 14.949 51.788 1.00 11.93 C ATOM 200 CD1 LEU A 22 7.753 15.252 50.324 1.00 13.26 C ATOM 201 CD2 LEU A 22 9.225 15.798 52.273 1.00 13.23 C ATOM 202 N SER A 23 5.533 16.087 55.355 1.00 12.15 N ATOM 203 CA SER A 23 4.485 16.437 56.302 1.00 12.98 C ATOM 204 C SER A 23 3.064 16.356 55.743 1.00 14.09 C ATOM 205 O SER A 23 2.106 16.119 56.489 1.00 14.95 O ATOM 206 CB SER A 23 4.725 17.847 56.872 1.00 14.18 C ATOM 207 OG SER A 23 4.364 18.843 55.931 1.00 16.27 O ATOM 208 N ARG A 24 2.933 16.578 54.441 1.00 15.09 N ATOM 209 CA ARG A 24 1.634 16.719 53.770 1.00 17.66 C ATOM 210 C ARG A 24 0.914 18.026 54.141 1.00 16.40 C ATOM 211 O ARG A 24 -0.264 18.183 53.823 1.00 20.74 O ATOM 212 CB ARG A 24 0.728 15.506 54.037 1.00 18.05 C ATOM 213 CG ARG A 24 1.408 14.163 53.847 1.00 19.83 C ATOM 214 CD ARG A 24 0.455 13.008 54.076 1.00 19.65 C ATOM 215 NE ARG A 24 1.141 11.719 53.993 1.00 19.31 N ATOM 216 CZ ARG A 24 0.544 10.529 54.058 1.00 20.19 C ATOM 217 NH1 ARG A 24 -0.771 10.431 54.255 1.00 23.14 N ATOM 218 NH2 ARG A 24 1.273 9.423 53.946 0.50 18.17 N ATOM 219 N ARG A 25 1.628 18.963 54.768 1.00 16.89 N ATOM 220 CA ARG A 25 1.077 20.278 55.150 1.00 18.72 C ATOM 221 C ARG A 25 1.596 21.427 54.275 1.00 19.99 C ATOM 222 O ARG A 25 1.136 22.564 54.402 1.00 23.52 O ATOM 223 CB ARG A 25 1.423 20.588 56.610 1.00 20.80 C ATOM 224 CG AARG A 25 0.547 19.863 57.622 0.50 22.88 C ATOM 225 CD AARG A 25 -0.793 20.561 57.815 0.50 24.70 C ATOM 226 NE AARG A 25 -0.636 21.872 58.440 0.50 24.14 N ATOM 227 CZ AARG A 25 -1.583 22.803 58.478 0.50 25.61 C ATOM 228 NH1AARG A 25 -2.768 22.572 57.931 0.50 26.84 N ATOM 229 NH2AARG A 25 -1.346 23.967 59.063 0.50 28.80 N ATOM 230 CG BARG A 25 0.574 19.865 57.648 0.50 23.25 C ATOM 231 CD BARG A 25 -0.567 20.726 58.182 0.50 26.25 C ATOM 232 NE BARG A 25 -1.874 20.281 57.711 0.50 26.52 N ATOM 233 CZ BARG A 25 -2.989 20.991 57.831 0.50 24.09 C ATOM 234 NH1BARG A 25 -2.952 22.190 58.395 0.50 25.11 N ATOM 235 NH2BARG A 25 -4.140 20.508 57.379 0.50 20.89 N ATOM 236 N ASN A 26 2.564 21.138 53.415 1.00 17.65 N ATOM 237 CA ASN A 26 3.179 22.149 52.571 1.00 19.44 C ATOM 238 C ASN A 26 3.278 21.598 51.165 1.00 19.13 C ATOM 239 O ASN A 26 3.157 20.394 50.955 1.00 17.37 O ATOM 240 CB ASN A 26 4.572 22.497 53.094 1.00 21.00 C ATOM 241 CG ASN A 26 4.560 22.919 54.554 1.00 21.78 C ATOM 242 OD1 ASN A 26 3.909 23.893 54.918 1.00 24.71 O ATOM 243 ND2 ASN A 26 5.271 22.182 55.396 1.00 21.72 N ATOM 244 N GLU A 27 3.497 22.470 50.194 1.00 17.88 N ATOM 245 CA GLU A 27 3.776 21.992 48.853 1.00 19.28 C ATOM 246 C GLU A 27 4.919 20.994 48.969 1.00 18.75 C ATOM 247 O GLU A 27 5.962 21.312 49.542 1.00 18.47 O ATOM 248 CB GLU A 27 4.182 23.130 47.934 1.00 21.93 C ATOM 249 CG GLU A 27 4.327 22.679 46.491 1.00 24.01 C ATOM 250 CD GLU A 27 5.522 23.293 45.814 1.00 27.22 C ATOM 251 OE1 GLU A 27 5.417 24.444 45.352 1.00 32.75 O ATOM 252 OE2 GLU A 27 6.563 22.613 45.741 1.00 28.74 O ATOM 253 N LEU A 28 4.713 19.792 48.436 1.00 18.66 N ATOM 254 CA LEU A 28 5.617 18.683 48.714 1.00 21.22 C ATOM 255 C LEU A 28 7.013 18.920 48.161 1.00 20.34 C ATOM 256 O LEU A 28 8.008 18.646 48.839 1.00 18.81 O ATOM 257 CB LEU A 28 5.052 17.355 48.192 1.00 23.11 C ATOM 258 CG LEU A 28 3.807 16.835 48.925 1.00 23.04 C ATOM 259 CD1 LEU A 28 3.180 15.680 48.158 0.50 22.30 C ATOM 260 CD2 LEU A 28 4.122 16.396 50.340 1.00 24.56 C ATOM 261 N ARG A 29 7.102 19.434 46.939 1.00 20.76 N ATOM 262 CA ARG A 29 8.410 19.661 46.349 1.00 20.71 C ATOM 263 C ARG A 29 9.213 20.706 47.137 1.00 20.64 C ATOM 264 O ARG A 29 10.383 20.478 47.453 1.00 21.86 O ATOM 265 CB ARG A 29 8.298 20.045 44.874 1.00 21.85 C ATOM 266 CG ARG A 29 9.636 19.982 44.183 1.00 23.44 C ATOM 267 CD ARG A 29 9.555 20.296 42.704 0.50 21.84 C ATOM 268 NE ARG A 29 10.896 20.283 42.145 0.50 21.77 N ATOM 269 CZ ARG A 29 11.769 21.272 42.294 0.50 23.62 C ATOM 270 NH1 ARG A 29 11.433 22.358 42.974 0.50 24.09 N ATOM 271 NH2 ARG A 29 12.976 21.177 41.763 0.50 27.15 N ATOM 272 N ALA A 30 8.583 21.826 47.484 1.00 18.76 N ATOM 273 CA ALA A 30 9.263 22.884 48.230 1.00 18.51 C ATOM 274 C ALA A 30 9.745 22.380 49.602 1.00 16.53 C ATOM 275 O ALA A 30 10.858 22.669 50.026 1.00 17.16 O ATOM 276 CB ALA A 30 8.351 24.089 48.397 1.00 20.95 C ATOM 277 N GLU A 31 8.911 21.606 50.280 1.00 14.95 N ATOM 278 CA GLU A 31 9.306 21.027 51.563 1.00 12.93 C ATOM 279 C GLU A 31 10.486 20.070 51.401 1.00 12.79 C ATOM 280 O GLU A 31 11.425 20.084 52.204 1.00 12.90 O ATOM 281 CB GLU A 31 8.139 20.293 52.197 1.00 12.37 C ATOM 282 CG GLU A 31 8.482 19.731 53.562 1.00 12.49 C ATOM 283 CD GLU A 31 7.311 19.064 54.217 1.00 13.01 C ATOM 284 OE1 GLU A 31 6.223 19.665 54.229 1.00 15.61 O ATOM 285 OE2 GLU A 31 7.486 17.943 54.721 1.00 14.60 O ATOM 286 N ALA A 32 10.429 19.237 50.365 1.00 13.35 N ATOM 287 CA ALA A 32 11.504 18.288 50.077 1.00 12.49 C ATOM 288 C ALA A 32 12.827 18.995 49.814 1.00 12.84 C ATOM 289 O ALA A 32 13.888 18.524 50.224 1.00 12.62 O ATOM 290 CB ALA A 32 11.134 17.417 48.878 1.00 12.65 C ATOM 291 N VAL A 33 12.762 20.125 49.116 1.00 13.49 N ATOM 292 CA VAL A 33 13.948 20.929 48.838 1.00 14.96 C ATOM 293 C VAL A 33 14.547 21.499 50.140 1.00 15.17 C ATOM 294 O VAL A 33 15.753 21.406 50.351 1.00 15.55 O ATOM 295 CB VAL A 33 13.630 22.044 47.819 1.00 15.39 C ATOM 296 CG1 VAL A 33 14.754 23.067 47.738 1.00 16.47 C ATOM 297 CG2 VAL A 33 13.374 21.432 46.445 1.00 17.18 C ATOM 298 N GLU A 34 13.701 22.054 51.012 1.00 14.86 N ATOM 299 CA GLU A 34 14.138 22.569 52.319 1.00 16.14 C ATOM 300 C GLU A 34 14.812 21.464 53.150 1.00 13.70 C ATOM 301 O GLU A 34 15.863 21.675 53.756 1.00 13.18 O ATOM 302 CB AGLU A 34 12.939 23.141 53.089 0.50 17.72 C ATOM 303 CG AGLU A 34 13.217 23.553 54.533 0.50 20.24 C ATOM 304 CD AGLU A 34 12.109 23.128 55.487 0.50 24.71 C ATOM 305 OE1AGLU A 34 11.049 23.793 55.510 0.50 27.89 O ATOM 306 OE2AGLU A 34 12.300 22.128 56.219 0.50 23.66 O ATOM 307 CB BGLU A 34 12.957 23.152 53.105 0.50 18.69 C ATOM 308 CG BGLU A 34 12.284 24.362 52.470 0.50 20.73 C ATOM 309 CD BGLU A 34 11.334 25.068 53.423 0.50 25.31 C ATOM 310 OE1BGLU A 34 11.144 24.573 54.554 0.50 31.09 O ATOM 311 OE2BGLU A 34 10.780 26.121 53.043 0.50 30.44 O ATOM 312 N LEU A 35 14.196 20.288 53.177 1.00 11.72 N ATOM 313 CA LEU A 35 14.748 19.172 53.937 1.00 11.90 C ATOM 314 C LEU A 35 16.065 18.683 53.338 1.00 11.55 C ATOM 315 O LEU A 35 16.974 18.303 54.077 1.00 12.31 O ATOM 316 CB LEU A 35 13.739 18.029 54.069 1.00 11.59 C ATOM 317 CG LEU A 35 12.606 18.303 55.066 1.00 11.53 C ATOM 318 CD1 LEU A 35 11.449 17.360 54.841 1.00 12.56 C ATOM 319 CD2 LEU A 35 13.088 18.202 56.513 1.00 14.14 C ATOM 320 N ALA A 36 16.183 18.712 52.010 1.00 12.05 N ATOM 321 CA ALA A 36 17.427 18.320 51.374 1.00 12.54 C ATOM 322 C ALA A 36 18.571 19.208 51.841 1.00 12.51 C ATOM 323 O ALA A 36 19.651 18.713 52.147 1.00 13.40 O ATOM 324 CB ALA A 36 17.307 18.357 49.859 1.00 12.75 C ATOM 325 N LYS A 37 18.328 20.516 51.910 1.00 13.05 N ATOM 326 CA LYS A 37 19.357 21.462 52.359 1.00 14.31 C ATOM 327 C LYS A 37 19.790 21.136 53.785 1.00 14.50 C ATOM 328 O LYS A 37 20.976 21.098 54.098 1.00 15.77 O ATOM 329 CB LYS A 37 18.832 22.897 52.304 1.00 18.21 C ATOM 330 CG LYS A 37 19.864 23.962 52.650 0.75 22.84 C ATOM 331 N LYS A 38 18.809 20.900 54.648 1.00 12.83 N ATOM 332 CA LYS A 38 19.089 20.618 56.053 1.00 12.62 C ATOM 333 C LYS A 38 19.822 19.291 56.235 1.00 12.53 C ATOM 334 O LYS A 38 20.747 19.194 57.033 1.00 13.38 O ATOM 335 CB LYS A 38 17.786 20.624 56.851 1.00 13.44 C ATOM 336 CG LYS A 38 17.213 22.015 57.044 1.00 15.75 C ATOM 337 CD LYS A 38 15.835 21.992 57.677 1.00 18.00 C ATOM 338 CE LYS A 38 15.325 23.395 57.958 0.50 18.76 C ATOM 339 NZ LYS A 38 13.872 23.403 58.273 0.50 18.29 N ATOM 340 N LEU A 39 19.412 18.275 55.474 1.00 12.59 N ATOM 341 CA LEU A 39 19.982 16.933 55.605 1.00 13.55 C ATOM 342 C LEU A 39 21.252 16.757 54.778 1.00 14.27 C ATOM 343 O LEU A 39 21.889 15.701 54.829 1.00 17.15 O ATOM 344 CB LEU A 39 18.951 15.887 55.203 1.00 12.47 C ATOM 345 CG LEU A 39 17.710 15.850 56.108 1.00 12.99 C ATOM 346 CD1 LEU A 39 16.614 14.990 55.496 1.00 13.65 C ATOM 347 CD2 LEU A 39 18.050 15.350 57.508 1.00 13.72 C ATOM 348 N LYS A 40 21.603 17.795 54.025 1.00 14.78 N ATOM 349 CA LYS A 40 22.848 17.860 53.253 1.00 15.81 C ATOM 350 C LYS A 40 22.874 16.880 52.067 1.00 15.46 C ATOM 351 O LYS A 40 23.820 16.113 51.890 1.00 19.54 O ATOM 352 CB LYS A 40 24.067 17.699 54.173 1.00 18.36 C ATOM 353 CG LYS A 40 24.087 18.723 55.307 1.00 20.66 C ATOM 354 CD LYS A 40 25.501 19.055 55.757 0.50 22.40 C ATOM 355 CE LYS A 40 25.513 20.157 56.806 0.50 23.33 C ATOM 356 NZ LYS A 40 24.991 21.459 56.301 0.50 22.44 N ATOM 357 N PHE A 41 21.818 16.932 51.258 1.00 13.07 N ATOM 358 CA PHE A 41 21.726 16.174 50.011 1.00 12.83 C ATOM 359 C PHE A 41 21.485 17.134 48.848 1.00 13.99 C ATOM 360 O PHE A 41 20.694 18.059 48.978 1.00 14.52 O ATOM 361 CB PHE A 41 20.572 15.174 50.076 1.00 12.62 C ATOM 362 CG PHE A 41 20.772 14.060 51.079 1.00 11.64 C ATOM 363 CD1 PHE A 41 21.698 13.065 50.840 1.00 11.73 C ATOM 364 CD2 PHE A 41 20.008 13.993 52.236 1.00 11.58 C ATOM 365 CE1 PHE A 41 21.870 12.021 51.724 1.00 12.51 C ATOM 366 CE2 PHE A 41 20.186 12.955 53.140 1.00 11.37 C ATOM 367 CZ PHE A 41 21.117 11.968 52.879 1.00 12.01 C ATOM 368 N ASP A 42 22.129 16.892 47.697 1.00 13.08 N ATOM 369 CA ASP A 42 21.940 17.753 46.519 1.00 13.70 C ATOM 370 C ASP A 42 21.159 17.103 45.373 1.00 13.43 C ATOM 371 O ASP A 42 20.988 17.717 44.313 1.00 13.61 O ATOM 372 CB ASP A 42 23.279 18.335 46.022 1.00 15.55 C ATOM 373 CG ASP A 42 24.288 17.274 45.587 1.00 16.22 C ATOM 374 OD1 ASP A 42 24.008 16.055 45.632 1.00 13.75 O ATOM 375 OD2 ASP A 42 25.393 17.689 45.186 1.00 19.26 O ATOM 376 N LEU A 43 20.666 15.881 45.598 1.00 13.59 N ATOM 377 CA LEU A 43 19.856 15.168 44.616 1.00 13.18 C ATOM 378 C LEU A 43 18.626 14.596 45.287 1.00 12.53 C ATOM 379 O LEU A 43 18.688 14.170 46.447 1.00 12.69 O ATOM 380 CB LEU A 43 20.648 14.018 44.003 1.00 13.21 C ATOM 381 CG LEU A 43 21.942 14.378 43.276 1.00 13.33 C ATOM 382 CD1 LEU A 43 22.704 13.111 42.956 1.00 12.60 C ATOM 383 CD2 LEU A 43 21.684 15.203 42.019 1.00 13.93 C ATOM 384 N MET A 44 17.515 14.570 44.564 1.00 12.87 N ATOM 385 CA MET A 44 16.304 13.981 45.093 1.00 12.81 C ATOM 386 C MET A 44 15.378 13.424 44.024 1.00 12.73 C ATOM 387 O MET A 44 15.417 13.833 42.855 1.00 13.83 O ATOM 388 CB MET A 44 15.547 14.995 45.967 1.00 14.86 C ATOM 389 CG AMET A 44 14.739 16.042 45.229 0.50 15.54 C ATOM 390 SD AMET A 44 13.664 16.893 46.401 0.50 15.68 S ATOM 391 CE AMET A 44 12.461 17.575 45.270 0.50 17.09 C ATOM 392 CG BMET A 44 14.775 16.033 45.165 0.50 15.91 C ATOM 393 SD BMET A 44 14.313 17.499 46.112 0.50 20.00 S ATOM 394 CE BMET A 44 12.973 18.106 45.097 0.50 21.56 C ATOM 395 N VAL A 45 14.547 12.494 44.470 1.00 12.87 N ATOM 396 CA VAL A 45 13.397 11.994 43.736 1.00 12.91 C ATOM 397 C VAL A 45 12.194 12.116 44.656 1.00 13.82 C ATOM 398 O VAL A 45 12.338 11.994 45.874 1.00 16.08 O ATOM 399 CB AVAL A 45 13.558 10.521 43.304 0.50 13.53 C ATOM 400 CG1AVAL A 45 14.656 10.402 42.271 0.50 14.10 C ATOM 401 CG2AVAL A 45 13.852 9.606 44.486 0.50 12.92 C ATOM 402 CB BVAL A 45 13.631 10.527 43.298 0.50 13.08 C ATOM 403 CG1BVAL A 45 13.691 9.581 44.491 0.50 12.69 C ATOM 404 CG2BVAL A 45 12.572 10.074 42.312 0.50 13.23 C ATOM 405 N LEU A 46 11.023 12.381 44.090 1.00 13.97 N ATOM 406 CA LEU A 46 9.791 12.430 44.866 1.00 14.42 C ATOM 407 C LEU A 46 8.970 11.191 44.582 1.00 13.40 C ATOM 408 O LEU A 46 8.826 10.780 43.433 1.00 17.03 O ATOM 409 CB LEU A 46 8.971 13.675 44.528 1.00 14.81 C ATOM 410 CG LEU A 46 9.643 15.014 44.813 1.00 15.17 C ATOM 411 CD1 LEU A 46 8.771 16.148 44.297 1.00 18.02 C ATOM 412 CD2 LEU A 46 9.961 15.176 46.298 1.00 15.68 C ATOM 413 N ARG A 47 8.432 10.609 45.641 1.00 13.86 N ATOM 414 CA ARG A 47 7.566 9.458 45.555 1.00 13.06 C ATOM 415 C ARG A 47 6.216 9.885 46.109 1.00 11.98 C ATOM 416 O ARG A 47 6.064 10.089 47.308 1.00 12.34 O ATOM 417 CB ARG A 47 8.174 8.314 46.340 1.00 14.45 C ATOM 418 CG ARG A 47 7.343 7.060 46.376 1.00 11.74 C ATOM 419 CD ARG A 47 7.305 6.320 45.042 1.00 10.61 C ATOM 420 NE ARG A 47 6.348 5.250 45.226 1.00 10.23 N ATOM 421 CZ ARG A 47 5.055 5.293 44.920 1.00 10.49 C ATOM 422 NH1 ARG A 47 4.505 6.321 44.280 1.00 11.76 N ATOM 423 NH2 ARG A 47 4.291 4.271 45.261 1.00 10.18 N ATOM 424 N ILE A 48 5.257 10.059 45.204 1.00 13.43 N ATOM 425 CA ILE A 48 3.967 10.647 45.520 1.00 14.02 C ATOM 426 C ILE A 48 2.840 9.846 44.867 1.00 12.84 C ATOM 427 O ILE A 48 2.807 9.671 43.641 1.00 14.29 O ATOM 428 CB ILE A 48 3.882 12.106 45.008 1.00 16.52 C ATOM 429 CG1 ILE A 48 4.938 12.978 45.707 1.00 18.52 C ATOM 430 CG2 ILE A 48 2.486 12.681 45.237 1.00 18.06 C ATOM 431 CD1 ILE A 48 5.058 14.382 45.155 0.50 18.37 C ATOM 432 N ASP A 49 1.919 9.368 45.692 1.00 14.34 N ATOM 433 CA ASP A 49 0.623 8.886 45.211 1.00 14.35 C ATOM 434 C ASP A 49 -0.356 8.911 46.382 1.00 15.48 C ATOM 435 O ASP A 49 -0.066 9.540 47.395 1.00 17.45 O ATOM 436 CB ASP A 49 0.714 7.536 44.469 1.00 14.40 C ATOM 437 CG ASP A 49 1.171 6.371 45.333 1.00 13.11 C ATOM 438 OD1 ASP A 49 0.908 6.323 46.554 1.00 14.50 O ATOM 439 OD2 ASP A 49 1.782 5.450 44.743 1.00 13.07 O ATOM 440 N ARG A 50 -1.513 8.270 46.249 1.00 16.71 N ATOM 441 CA ARG A 50 -2.507 8.280 47.321 1.00 17.48 C ATOM 442 C ARG A 50 -1.989 7.717 48.660 1.00 17.12 C ATOM 443 O ARG A 50 -2.489 8.081 49.729 1.00 22.70 O ATOM 444 CB ARG A 50 -3.764 7.526 46.872 1.00 19.97 C ATOM 445 CG ARG A 50 -4.565 8.285 45.825 0.50 18.95 C ATOM 446 CD ARG A 50 -5.740 7.482 45.286 0.50 20.75 C ATOM 447 NE ARG A 50 -5.351 6.361 44.430 1.00 22.37 N ATOM 448 CZ ARG A 50 -5.560 5.069 44.694 1.00 22.35 C ATOM 449 NH1 ARG A 50 -6.169 4.669 45.816 1.00 24.71 N ATOM 450 NH2 ARG A 50 -5.159 4.155 43.817 0.50 19.99 N ATOM 451 N GLY A 51 -0.988 6.841 48.603 1.00 16.70 N ATOM 452 CA GLY A 51 -0.472 6.169 49.796 1.00 15.31 C ATOM 453 C GLY A 51 0.821 6.711 50.383 1.00 14.39 C ATOM 454 O GLY A 51 1.242 6.278 51.449 1.00 15.42 O ATOM 455 N VAL A 52 1.466 7.646 49.699 1.00 13.80 N ATOM 456 CA VAL A 52 2.798 8.078 50.094 1.00 14.31 C ATOM 457 C VAL A 52 3.110 9.482 49.611 1.00 13.30 C ATOM 458 O VAL A 52 2.718 9.887 48.521 1.00 13.82 O ATOM 459 CB VAL A 52 3.894 7.087 49.607 1.00 13.89 C ATOM 460 CG1 VAL A 52 3.842 6.919 48.103 1.00 14.22 C ATOM 461 CG2 VAL A 52 5.285 7.533 50.041 1.00 15.02 C ATOM 462 N ALA A 53 3.839 10.207 50.450 1.00 13.61 N ATOM 463 CA ALA A 53 4.398 11.494 50.100 1.00 14.08 C ATOM 464 C ALA A 53 5.773 11.546 50.741 1.00 12.22 C ATOM 465 O ALA A 53 5.893 11.757 51.958 1.00 13.82 O ATOM 466 CB ALA A 53 3.516 12.623 50.617 1.00 14.49 C ATOM 467 N ALA A 54 6.804 11.328 49.930 1.00 12.18 N ATOM 468 CA ALA A 54 8.160 11.148 50.446 1.00 11.69 C ATOM 469 C ALA A 54 9.198 11.590 49.442 1.00 11.32 C ATOM 470 O ALA A 54 8.937 11.638 48.236 1.00 12.77 O ATOM 471 CB ALA A 54 8.397 9.692 50.822 1.00 11.92 C ATOM 472 N ALA A 55 10.382 11.901 49.949 1.00 11.83 N ATOM 473 CA ALA A 55 11.538 12.218 49.116 1.00 11.82 C ATOM 474 C ALA A 55 12.646 11.212 49.367 1.00 10.59 C ATOM 475 O ALA A 55 12.862 10.781 50.509 1.00 11.00 O ATOM 476 CB ALA A 55 12.023 13.623 49.397 1.00 12.72 C ATOM 477 N GLY A 56 13.327 10.830 48.285 1.00 10.68 N ATOM 478 CA GLY A 56 14.495 9.957 48.316 1.00 10.61 C ATOM 479 C GLY A 56 15.686 10.821 47.959 1.00 10.20 C ATOM 480 O GLY A 56 15.673 11.505 46.931 1.00 12.04 O ATOM 481 N TYR A 57 16.711 10.806 48.806 1.00 9.69 N ATOM 482 CA TYR A 57 17.813 11.739 48.695 1.00 9.23 C ATOM 483 C TYR A 57 19.147 11.062 48.477 1.00 9.78 C ATOM 484 O TYR A 57 19.398 9.965 48.976 1.00 10.06 O ATOM 485 CB TYR A 57 17.944 12.556 49.976 1.00 9.25 C ATOM 486 CG TYR A 57 16.788 13.477 50.300 1.00 9.53 C ATOM 487 CD1 TYR A 57 16.411 14.493 49.435 1.00 10.39 C ATOM 488 CD2 TYR A 57 16.114 13.374 51.500 1.00 10.64 C ATOM 489 CE1 TYR A 57 15.368 15.350 49.742 1.00 10.16 C ATOM 490 CE2 TYR A 57 15.077 14.231 51.816 1.00 11.18 C ATOM 491 CZ TYR A 57 14.710 15.225 50.940 1.00 10.86 C ATOM 492 OH TYR A 57 13.685 16.077 51.278 1.00 12.00 O ATOM 493 N ALA A 58 20.029 11.774 47.786 1.00 10.26 N ATOM 494 CA ALA A 58 21.400 11.333 47.603 1.00 11.14 C ATOM 495 C ALA A 58 22.308 12.530 47.388 1.00 11.26 C ATOM 496 O ALA A 58 21.838 13.654 47.201 1.00 11.72 O ATOM 497 CB ALA A 58 21.488 10.387 46.420 1.00 11.33 C ATOM 498 N ASN A 59 23.609 12.255 47.403 1.00 12.58 N ATOM 499 CA ASN A 59 24.640 13.253 47.204 1.00 13.26 C ATOM 500 C ASN A 59 25.525 12.908 46.014 1.00 13.59 C ATOM 501 O ASN A 59 25.971 11.764 45.867 1.00 14.11 O ATOM 502 CB ASN A 59 25.528 13.323 48.451 1.00 17.25 C ATOM 503 CG ASN A 59 25.131 14.433 49.399 1.00 20.12 C ATOM 504 OD1 ASN A 59 25.014 15.598 49.000 1.00 24.60 O ATOM 505 ND2 ASN A 59 24.960 14.088 50.676 0.50 18.95 N ATOM 506 N THR A 60 25.807 13.909 45.189 1.00 13.36 N ATOM 507 CA THR A 60 26.752 13.742 44.080 1.00 14.02 C ATOM 508 C THR A 60 28.104 13.228 44.575 1.00 14.96 C ATOM 509 O THR A 60 28.760 12.430 43.909 1.00 17.73 O ATOM 510 CB THR A 60 26.966 15.047 43.280 1.00 12.71 C ATOM 511 OG1 THR A 60 27.364 16.104 44.158 1.00 15.18 O ATOM 512 CG2 THR A 60 25.715 15.452 42.535 1.00 11.50 C ATOM 513 N ARG A 61 28.505 13.657 45.769 1.00 15.08 N ATOM 514 CA ARG A 61 29.810 13.297 46.312 1.00 16.86 C ATOM 515 C ARG A 61 29.894 11.807 46.723 1.00 17.29 C ATOM 516 O ARG A 61 30.986 11.257 46.899 1.00 18.86 O ATOM 517 CB ARG A 61 30.155 14.251 47.464 1.00 18.51 C ATOM 518 CG ARG A 61 30.177 15.722 47.027 0.50 18.58 C ATOM 519 CD ARG A 61 29.968 16.676 48.193 1.00 19.76 C ATOM 520 NE ARG A 61 29.900 18.085 47.800 1.00 19.74 N ATOM 521 CZ ARG A 61 28.835 18.692 47.269 0.50 17.71 C ATOM 522 NH1 ARG A 61 27.710 18.030 47.022 0.50 14.84 N ATOM 523 NH2 ARG A 61 28.899 19.982 46.970 1.00 19.67 N ATOM 524 N ASP A 62 28.737 11.154 46.810 1.00 15.87 N ATOM 525 CA ASP A 62 28.637 9.738 47.144 1.00 16.24 C ATOM 526 C ASP A 62 28.509 8.843 45.908 1.00 17.32 C ATOM 527 O ASP A 62 28.273 7.638 46.036 1.00 17.18 O ATOM 528 CB ASP A 62 27.417 9.518 48.043 1.00 16.40 C ATOM 529 CG ASP A 62 27.617 10.041 49.440 0.50 18.08 C ATOM 530 OD1 ASP A 62 28.766 10.062 49.914 0.50 19.84 O ATOM 531 OD2 ASP A 62 26.615 10.419 50.071 0.50 19.83 O ATOM 532 N GLY A 63 28.659 9.433 44.722 1.00 15.45 N ATOM 533 CA GLY A 63 28.649 8.690 43.469 1.00 16.76 C ATOM 534 C GLY A 63 27.306 8.662 42.763 1.00 15.89 C ATOM 535 O GLY A 63 27.158 7.999 41.740 1.00 17.24 O ATOM 536 N PHE A 64 26.326 9.372 43.313 1.00 14.52 N ATOM 537 CA PHE A 64 25.012 9.489 42.684 1.00 13.49 C ATOM 538 C PHE A 64 25.003 10.672 41.715 1.00 13.85 C ATOM 539 O PHE A 64 25.796 11.604 41.846 1.00 15.58 O ATOM 540 CB PHE A 64 23.931 9.679 43.749 1.00 12.68 C ATOM 541 CG PHE A 64 23.752 8.493 44.651 1.00 11.50 C ATOM 542 CD1 PHE A 64 22.903 7.452 44.295 1.00 12.16 C ATOM 543 CD2 PHE A 64 24.425 8.419 45.868 1.00 11.93 C ATOM 544 CE1 PHE A 64 22.726 6.363 45.135 1.00 12.05 C ATOM 545 CE2 PHE A 64 24.256 7.328 46.710 1.00 12.63 C ATOM 546 CZ PHE A 64 23.399 6.303 46.355 1.00 12.06 C ATOM 547 N ALA A 65 24.083 10.658 40.762 1.00 13.66 N ATOM 548 CA ALA A 65 24.052 11.693 39.738 1.00 14.37 C ATOM 549 C ALA A 65 22.646 11.980 39.262 1.00 13.63 C ATOM 550 O ALA A 65 21.802 11.082 39.258 1.00 13.21 O ATOM 551 CB ALA A 65 24.906 11.278 38.554 1.00 13.99 C ATOM 552 N PRO A 66 22.398 13.228 38.811 1.00 13.90 N ATOM 553 CA PRO A 66 21.154 13.496 38.108 1.00 14.04 C ATOM 554 C PRO A 66 20.960 12.483 36.990 1.00 13.70 C ATOM 555 O PRO A 66 21.920 12.116 36.302 1.00 15.97 O ATOM 556 CB PRO A 66 21.356 14.907 37.536 1.00 14.16 C ATOM 557 CG PRO A 66 22.387 15.523 38.419 1.00 15.20 C ATOM 558 CD PRO A 66 23.297 14.392 38.801 1.00 14.63 C ATOM 559 N GLY A 67 19.739 12.000 36.843 1.00 12.85 N ATOM 560 CA GLY A 67 19.430 11.069 35.771 1.00 12.94 C ATOM 561 C GLY A 67 19.504 9.606 36.169 1.00 12.85 C ATOM 562 O GLY A 67 18.903 8.761 35.506 1.00 13.68 O ATOM 563 N HIS A 68 20.251 9.291 37.231 1.00 12.49 N ATOM 564 CA HIS A 68 20.203 7.950 37.803 1.00 11.56 C ATOM 565 C HIS A 68 18.761 7.638 38.175 1.00 11.13 C ATOM 566 O HIS A 68 18.082 8.478 38.764 1.00 11.93 O ATOM 567 CB HIS A 68 21.052 7.841 39.070 1.00 12.09 C ATOM 568 CG HIS A 68 22.516 7.685 38.814 1.00 13.77 C ATOM 569 ND1 HIS A 68 23.462 7.871 39.798 1.00 14.97 N ATOM 570 CD2 HIS A 68 23.199 7.355 37.695 1.00 16.06 C ATOM 571 CE1 HIS A 68 24.665 7.668 39.294 1.00 16.98 C ATOM 572 NE2 HIS A 68 24.534 7.351 38.018 1.00 18.33 N ATOM 573 N LEU A 69 18.301 6.441 37.827 1.00 10.51 N ATOM 574 CA LEU A 69 16.922 6.056 38.091 1.00 10.12 C ATOM 575 C LEU A 69 16.849 5.372 39.452 1.00 9.59 C ATOM 576 O LEU A 69 17.572 4.419 39.707 1.00 10.43 O ATOM 577 CB LEU A 69 16.410 5.099 37.018 1.00 9.69 C ATOM 578 CG LEU A 69 16.473 5.605 35.571 1.00 10.68 C ATOM 579 CD1 LEU A 69 16.070 4.476 34.636 1.00 12.22 C ATOM 580 CD2 LEU A 69 15.586 6.826 35.384 1.00 12.37 C ATOM 581 N SER A 70 15.955 5.846 40.309 1.00 9.09 N ATOM 582 CA SER A 70 15.755 5.204 41.594 1.00 8.68 C ATOM 583 C SER A 70 15.096 3.827 41.443 1.00 9.20 C ATOM 584 O SER A 70 13.934 3.728 41.058 1.00 10.26 O ATOM 585 CB SER A 70 14.900 6.079 42.496 1.00 8.69 C ATOM 586 OG SER A 70 14.569 5.389 43.708 1.00 9.43 O ATOM 587 N LEU A 71 15.848 2.772 41.758 1.00 9.14 N ATOM 588 CA LEU A 71 15.286 1.419 41.790 1.00 9.70 C ATOM 589 C LEU A 71 14.148 1.302 42.822 1.00 8.70 C ATOM 590 O LEU A 71 13.133 0.667 42.583 1.00 9.19 O ATOM 591 CB LEU A 71 16.386 0.396 42.063 1.00 10.04 C ATOM 592 CG LEU A 71 16.012 -1.063 41.838 1.00 10.05 C ATOM 593 CD1 LEU A 71 15.760 -1.355 40.358 1.00 10.46 C ATOM 594 CD2 LEU A 71 17.114 -1.956 42.377 1.00 11.50 C ATOM 595 N GLY A 72 14.344 1.914 43.985 1.00 9.02 N ATOM 596 CA GLY A 72 13.307 1.970 45.010 1.00 9.04 C ATOM 597 C GLY A 72 12.027 2.609 44.531 1.00 9.00 C ATOM 598 O GLY A 72 10.951 2.073 44.747 1.00 9.45 O ATOM 599 N ALA A 73 12.135 3.747 43.846 1.00 9.08 N ATOM 600 CA ALA A 73 10.952 4.396 43.306 1.00 9.52 C ATOM 601 C ALA A 73 10.183 3.438 42.398 1.00 9.12 C ATOM 602 O ALA A 73 8.977 3.316 42.511 1.00 10.13 O ATOM 603 CB ALA A 73 11.326 5.657 42.549 1.00 10.62 C ATOM 604 N MET A 74 10.897 2.768 41.495 1.00 8.29 N ATOM 605 CA MET A 74 10.260 1.833 40.564 1.00 9.35 C ATOM 606 C MET A 74 9.553 0.688 41.300 1.00 9.43 C ATOM 607 O MET A 74 8.385 0.410 41.048 1.00 10.35 O ATOM 608 CB MET A 74 11.310 1.294 39.582 1.00 10.66 C ATOM 609 CG MET A 74 10.782 0.402 38.463 1.00 11.61 C ATOM 610 SD MET A 74 10.470 -1.308 38.940 1.00 13.58 S ATOM 611 CE MET A 74 12.141 -1.939 39.126 1.00 15.05 C ATOM 612 N VAL A 75 10.255 0.039 42.223 1.00 8.80 N ATOM 613 CA VAL A 75 9.692 -1.136 42.901 1.00 9.62 C ATOM 614 C VAL A 75 8.530 -0.730 43.817 1.00 9.14 C ATOM 615 O VAL A 75 7.503 -1.397 43.858 1.00 9.88 O ATOM 616 CB AVAL A 75 10.787 -1.880 43.692 0.50 8.95 C ATOM 617 CG1AVAL A 75 10.187 -2.996 44.521 0.50 8.46 C ATOM 618 CG2AVAL A 75 11.847 -2.434 42.748 0.50 8.85 C ATOM 619 CB BVAL A 75 10.738 -1.979 43.680 0.50 10.92 C ATOM 620 CG1BVAL A 75 11.817 -2.494 42.735 0.50 11.76 C ATOM 621 CG2BVAL A 75 11.347 -1.209 44.847 0.50 11.41 C ATOM 622 N SER A 76 8.702 0.377 44.529 1.00 9.37 N ATOM 623 CA SER A 76 7.652 0.935 45.379 1.00 10.16 C ATOM 624 C SER A 76 6.348 1.140 44.612 1.00 9.83 C ATOM 625 O SER A 76 5.278 0.680 45.017 1.00 10.52 O ATOM 626 CB SER A 76 8.113 2.281 45.972 1.00 10.76 C ATOM 627 OG SER A 76 7.042 2.916 46.638 1.00 14.13 O ATOM 628 N ARG A 77 6.439 1.825 43.484 1.00 9.85 N ATOM 629 CA ARG A 77 5.242 2.106 42.706 1.00 10.46 C ATOM 630 C ARG A 77 4.665 0.810 42.135 1.00 10.65 C ATOM 631 O ARG A 77 3.452 0.631 42.109 1.00 11.38 O ATOM 632 CB ARG A 77 5.543 3.113 41.590 1.00 11.58 C ATOM 633 CG ARG A 77 4.373 3.372 40.643 1.00 13.25 C ATOM 634 CD ARG A 77 3.181 3.980 41.369 1.00 13.52 C ATOM 635 NE ARG A 77 2.081 4.303 40.453 1.00 15.25 N ATOM 636 CZ ARG A 77 0.870 4.721 40.829 1.00 15.92 C ATOM 637 NH1 ARG A 77 0.584 4.910 42.117 1.00 14.38 N ATOM 638 NH2 ARG A 77 -0.056 4.986 39.911 1.00 17.92 N ATOM 639 N ALA A 78 5.528 -0.097 41.685 1.00 10.45 N ATOM 640 CA ALA A 78 5.040 -1.355 41.122 1.00 11.56 C ATOM 641 C ALA A 78 4.210 -2.129 42.148 1.00 11.50 C ATOM 642 O ALA A 78 3.140 -2.642 41.830 1.00 12.47 O ATOM 643 CB ALA A 78 6.189 -2.205 40.607 1.00 11.87 C ATOM 644 N ILE A 79 4.704 -2.204 43.382 1.00 11.55 N ATOM 645 CA ILE A 79 3.980 -2.901 44.432 1.00 11.09 C ATOM 646 C ILE A 79 2.729 -2.133 44.863 1.00 12.86 C ATOM 647 O ILE A 79 1.714 -2.745 45.196 1.00 14.27 O ATOM 648 CB ILE A 79 4.909 -3.211 45.621 1.00 11.12 C ATOM 649 CG1 ILE A 79 6.036 -4.154 45.176 1.00 12.63 C ATOM 650 CG2 ILE A 79 4.132 -3.784 46.801 1.00 11.77 C ATOM 651 CD1 ILE A 79 5.586 -5.489 44.626 1.00 13.61 C ATOM 652 N ALA A 80 2.782 -0.804 44.839 1.00 12.62 N ATOM 653 CA ALA A 80 1.564 -0.002 45.037 1.00 14.03 C ATOM 654 C ALA A 80 0.482 -0.367 44.024 1.00 14.53 C ATOM 655 O ALA A 80 -0.703 -0.395 44.352 1.00 17.37 O ATOM 656 CB ALA A 80 1.869 1.478 44.945 1.00 14.86 C ATOM 657 N LEU A 81 0.897 -0.654 42.794 1.00 14.44 N ATOM 658 CA LEU A 81 -0.052 -0.952 41.724 1.00 15.96 C ATOM 659 C LEU A 81 -0.644 -2.355 41.822 1.00 16.98 C ATOM 660 O LEU A 81 -1.831 -2.542 41.566 1.00 20.80 O ATOM 661 CB LEU A 81 0.601 -0.764 40.348 1.00 16.89 C ATOM 662 CG LEU A 81 0.792 0.677 39.862 1.00 19.52 C ATOM 663 CD1 LEU A 81 1.575 0.679 38.559 1.00 21.93 C ATOM 664 CD2 LEU A 81 -0.537 1.386 39.670 1.00 21.23 C ATOM 665 N GLU A 82 0.174 -3.343 42.167 1.00 15.26 N ATOM 666 CA GLU A 82 -0.288 -4.735 42.142 1.00 16.47 C ATOM 667 C GLU A 82 -0.578 -5.354 43.510 1.00 16.42 C ATOM 668 O GLU A 82 -1.204 -6.410 43.586 1.00 18.03 O ATOM 669 CB GLU A 82 0.683 -5.608 41.349 1.00 17.79 C ATOM 670 CG GLU A 82 2.036 -5.840 41.986 1.00 17.48 C ATOM 671 CD GLU A 82 2.928 -6.688 41.103 1.00 19.47 C ATOM 672 OE1 GLU A 82 3.186 -6.290 39.951 1.00 21.69 O ATOM 673 OE2 GLU A 82 3.374 -7.749 41.556 1.00 20.57 O ATOM 674 N GLY A 83 -0.130 -4.705 44.581 1.00 15.04 N ATOM 675 CA GLY A 83 -0.305 -5.234 45.933 1.00 14.90 C ATOM 676 C GLY A 83 0.439 -6.536 46.102 1.00 16.30 C ATOM 677 O GLY A 83 1.458 -6.765 45.451 1.00 18.70 O ATOM 678 N ALA A 84 -0.061 -7.387 46.993 1.00 16.88 N ATOM 679 CA ALA A 84 0.544 -8.688 47.231 1.00 17.44 C ATOM 680 C ALA A 84 -0.494 -9.598 47.842 1.00 18.42 C ATOM 681 O ALA A 84 -1.532 -9.135 48.322 1.00 19.01 O ATOM 682 CB ALA A 84 1.751 -8.565 48.143 1.00 16.62 C ATOM 683 N PHE A 85 -0.224 -10.896 47.800 1.00 20.56 N ATOM 684 CA PHE A 85 -1.093 -11.863 48.437 1.00 21.96 C ATOM 685 C PHE A 85 -0.555 -12.144 49.832 1.00 23.93 C ATOM 686 O PHE A 85 0.600 -12.534 49.994 1.00 24.93 O ATOM 687 CB PHE A 85 -1.184 -13.161 47.631 1.00 24.71 C ATOM 688 CG PHE A 85 -2.157 -14.141 48.209 1.00 25.42 C ATOM 689 CD1 PHE A 85 -1.752 -15.051 49.179 1.00 27.41 C ATOM 690 CD2 PHE A 85 -3.492 -14.113 47.835 1.00 26.43 C ATOM 691 CE1 PHE A 85 -2.657 -15.937 49.736 1.00 28.59 C ATOM 692 CE2 PHE A 85 -4.402 -15.000 48.384 1.00 27.20 C ATOM 693 CZ PHE A 85 -3.985 -15.910 49.337 1.00 28.03 C ATOM 694 N TYR A 86 -1.397 -11.914 50.831 1.00 22.91 N ATOM 695 CA TYR A 86 -1.072 -12.243 52.215 1.00 22.68 C ATOM 696 C TYR A 86 -2.354 -12.330 53.026 1.00 26.02 C ATOM 697 O TYR A 86 -3.385 -11.772 52.639 1.00 23.83 O ATOM 698 CB TYR A 86 -0.109 -11.216 52.822 1.00 23.19 C ATOM 699 CG TYR A 86 -0.669 -9.818 52.997 1.00 20.27 C ATOM 700 CD1 TYR A 86 -0.623 -8.896 51.961 1.00 20.96 C ATOM 701 CD2 TYR A 86 -1.205 -9.407 54.210 1.00 19.64 C ATOM 702 CE1 TYR A 86 -1.125 -7.618 52.117 1.00 19.64 C ATOM 703 CE2 TYR A 86 -1.710 -8.130 54.380 1.00 18.99 C ATOM 704 CZ TYR A 86 -1.661 -7.235 53.332 1.00 19.32 C ATOM 705 OH TYR A 86 -2.148 -5.961 53.487 1.00 18.10 O ATOM 706 N ASN A 87 -2.289 -13.044 54.147 1.00 27.85 N ATOM 707 CA ASN A 87 -3.456 -13.246 55.000 1.00 29.71 C ATOM 708 C ASN A 87 -4.676 -13.647 54.175 1.00 28.78 C ATOM 709 O ASN A 87 -5.764 -13.094 54.339 1.00 31.16 O ATOM 710 CB ASN A 87 -3.769 -11.983 55.814 1.00 30.63 C ATOM 711 CG ASN A 87 -2.683 -11.624 56.820 1.00 32.04 C ATOM 712 OD1 ASN A 87 -2.815 -10.623 57.524 1.00 40.07 O ATOM 713 ND2 ASN A 87 -1.613 -12.420 56.900 1.00 30.14 N ATOM 714 N GLY A 88 -4.474 -14.582 53.253 1.00 30.14 N ATOM 715 CA GLY A 88 -5.576 -15.159 52.491 1.00 31.79 C ATOM 716 C GLY A 88 -6.132 -14.377 51.311 1.00 30.46 C ATOM 717 O GLY A 88 -7.052 -14.859 50.655 1.00 32.85 O ATOM 718 N ARG A 89 -5.595 -13.194 51.009 1.00 24.71 N ATOM 719 CA ARG A 89 -6.095 -12.428 49.859 1.00 25.85 C ATOM 720 C ARG A 89 -5.090 -11.460 49.247 1.00 25.45 C ATOM 721 O ARG A 89 -4.183 -10.971 49.908 1.00 25.27 O ATOM 722 CB ARG A 89 -7.381 -11.674 50.213 1.00 33.37 C ATOM 723 CG ARG A 89 -7.257 -10.641 51.322 0.50 33.80 C ATOM 724 CD ARG A 89 -8.506 -9.773 51.382 0.50 35.38 C ATOM 725 NE ARG A 89 -8.665 -9.094 52.666 0.50 35.06 N ATOM 726 CZ ARG A 89 -8.051 -9.453 53.788 0.50 36.98 C ATOM 727 NH1 ARG A 89 -7.228 -10.493 53.797 0.50 38.14 N ATOM 728 NH2 ARG A 89 -8.263 -8.772 54.905 0.50 37.41 N ATOM 729 N ARG A 90 -5.286 -11.200 47.960 1.00 20.55 N ATOM 730 CA ARG A 90 -4.523 -10.209 47.229 1.00 21.81 C ATOM 731 C ARG A 90 -5.083 -8.835 47.563 1.00 23.15 C ATOM 732 O ARG A 90 -6.265 -8.571 47.356 1.00 26.14 O ATOM 733 CB AARG A 90 -4.573 -10.471 45.721 0.50 24.63 C ATOM 734 CG AARG A 90 -3.676 -9.537 44.932 0.50 26.67 C ATOM 735 CD AARG A 90 -3.078 -10.195 43.702 0.50 30.07 C ATOM 736 NE AARG A 90 -1.833 -9.520 43.343 0.50 31.22 N ATOM 737 CZ AARG A 90 -0.601 -9.986 43.552 0.50 30.31 C ATOM 738 NH1AARG A 90 -0.377 -11.184 44.094 0.50 30.92 N ATOM 739 NH2AARG A 90 0.428 -9.237 43.186 0.50 28.44 N ATOM 740 CB BARG A 90 -4.604 -10.495 45.723 0.50 24.96 C ATOM 741 CG BARG A 90 -4.052 -9.411 44.815 0.50 27.61 C ATOM 742 CD BARG A 90 -3.497 -10.026 43.539 0.50 31.20 C ATOM 743 NE BARG A 90 -3.877 -9.296 42.336 0.50 33.61 N ATOM 744 CZ BARG A 90 -5.032 -8.659 42.174 0.50 35.06 C ATOM 745 NH1BARG A 90 -5.940 -8.664 43.138 0.50 35.40 N ATOM 746 NH2BARG A 90 -5.280 -8.023 41.038 0.50 35.94 N ATOM 747 N GLN A 91 -4.225 -7.971 48.100 1.00 19.39 N ATOM 748 CA GLN A 91 -4.654 -6.682 48.634 1.00 19.01 C ATOM 749 C GLN A 91 -3.473 -5.707 48.698 1.00 16.97 C ATOM 750 O GLN A 91 -2.320 -6.120 48.535 1.00 16.15 O ATOM 751 CB GLN A 91 -5.241 -6.887 50.038 1.00 20.31 C ATOM 752 CG GLN A 91 -4.283 -7.561 51.014 1.00 22.81 C ATOM 753 CD GLN A 91 -4.922 -7.865 52.356 1.00 25.42 C ATOM 754 OE1 GLN A 91 -5.628 -7.029 52.918 1.00 28.49 O ATOM 755 NE2 GLN A 91 -4.655 -9.057 52.894 1.00 32.54 N ATOM 756 N PRO A 92 -3.751 -4.410 48.933 1.00 17.35 N ATOM 757 CA PRO A 92 -2.635 -3.493 49.110 1.00 16.32 C ATOM 758 C PRO A 92 -1.735 -3.958 50.247 1.00 14.27 C ATOM 759 O PRO A 92 -2.225 -4.520 51.240 1.00 15.47 O ATOM 760 CB PRO A 92 -3.313 -2.164 49.462 1.00 18.26 C ATOM 761 CG PRO A 92 -4.669 -2.265 48.859 1.00 21.71 C ATOM 762 CD PRO A 92 -5.045 -3.711 48.994 1.00 18.62 C ATOM 763 N ALA A 93 -0.439 -3.730 50.079 1.00 13.14 N ATOM 764 CA ALA A 93 0.576 -4.188 51.019 1.00 13.22 C ATOM 765 C ALA A 93 1.358 -2.991 51.549 1.00 12.28 C ATOM 766 O ALA A 93 2.449 -2.713 51.074 1.00 13.11 O ATOM 767 CB ALA A 93 1.516 -5.162 50.324 1.00 13.80 C ATOM 768 N PRO A 94 0.807 -2.273 52.540 1.00 12.28 N ATOM 769 CA PRO A 94 1.548 -1.118 53.072 1.00 11.97 C ATOM 770 C PRO A 94 2.889 -1.454 53.717 1.00 11.45 C ATOM 771 O PRO A 94 3.794 -0.619 53.706 1.00 12.22 O ATOM 772 CB PRO A 94 0.589 -0.529 54.112 1.00 13.52 C ATOM 773 CG PRO A 94 -0.325 -1.661 54.477 1.00 13.16 C ATOM 774 CD PRO A 94 -0.507 -2.415 53.186 1.00 12.37 C ATOM 775 N ASN A 95 2.999 -2.645 54.296 1.00 11.80 N ATOM 776 CA ASN A 95 4.181 -3.036 55.055 1.00 11.06 C ATOM 777 C ASN A 95 4.811 -4.242 54.382 1.00 11.50 C ATOM 778 O ASN A 95 4.373 -5.382 54.568 1.00 12.55 O ATOM 779 CB ASN A 95 3.829 -3.422 56.490 1.00 11.94 C ATOM 780 CG ASN A 95 3.224 -2.291 57.302 1.00 12.83 C ATOM 781 OD1 ASN A 95 3.129 -1.144 56.879 1.00 13.77 O ATOM 782 ND2 ASN A 95 2.832 -2.625 58.521 1.00 15.96 N ATOM 783 N TRP A 96 5.842 -4.010 53.592 1.00 11.58 N ATOM 784 CA TRP A 96 6.478 -5.112 52.883 1.00 11.18 C ATOM 785 C TRP A 96 7.983 -4.956 52.891 1.00 11.33 C ATOM 786 O TRP A 96 8.505 -3.846 52.999 1.00 11.89 O ATOM 787 CB TRP A 96 5.906 -5.266 51.463 1.00 10.92 C ATOM 788 CG TRP A 96 6.296 -4.169 50.474 1.00 10.84 C ATOM 789 CD1 TRP A 96 5.625 -3.008 50.218 1.00 10.79 C ATOM 790 CD2 TRP A 96 7.444 -4.158 49.634 1.00 10.75 C ATOM 791 NE1 TRP A 96 6.290 -2.269 49.271 1.00 10.23 N ATOM 792 CE2 TRP A 96 7.405 -2.962 48.884 1.00 10.94 C ATOM 793 CE3 TRP A 96 8.498 -5.052 49.425 1.00 10.92 C ATOM 794 CZ2 TRP A 96 8.393 -2.632 47.970 1.00 10.65 C ATOM 795 CZ3 TRP A 96 9.469 -4.727 48.501 1.00 12.55 C ATOM 796 CH2 TRP A 96 9.412 -3.533 47.792 1.00 11.81 C ATOM 797 N LEU A 97 8.596 -6.034 52.949 1.00 12.65 N ATOM 798 C LEU A 97 10.489 -7.224 51.566 1.00 14.89 C ATOM 799 O LEU A 97 9.782 -8.184 51.161 1.00 15.10 O ATOM 800 CA ALEU A 97 10.062 -6.176 52.784 0.50 14.82 C ATOM 801 CB ALEU A 97 10.634 -7.050 53.920 0.50 17.08 C ATOM 802 CG ALEU A 97 10.611 -6.624 55.276 0.50 18.95 C ATOM 803 CD1ALEU A 97 11.362 -7.578 56.173 0.50 20.27 C ATOM 804 CD2ALEU A 97 11.333 -5.323 55.190 0.50 20.22 C ATOM 805 CA BLEU A 97 10.085 -6.078 52.701 0.50 14.23 C ATOM 806 CB BLEU A 97 10.807 -6.247 54.057 0.50 16.08 C ATOM 807 CG BLEU A 97 10.681 -7.553 54.842 0.50 18.17 C ATOM 808 CD1BLEU A 97 11.538 -7.495 56.098 0.50 20.28 C ATOM 809 CD2BLEU A 97 9.243 -7.867 55.211 0.50 18.51 C ATOM 810 N GLY A 98 11.628 -6.865 51.054 1.00 15.02 N ATOM 811 CA GLY A 98 12.041 -7.699 49.967 1.00 17.85 C ATOM 812 C GLY A 98 13.484 -7.591 49.598 1.00 14.91 C ATOM 813 O GLY A 98 14.160 -6.636 49.942 1.00 12.37 O ATOM 814 N ALA A 99 13.940 -8.614 48.892 1.00 15.54 N ATOM 815 CA ALA A 99 15.290 -8.668 48.404 1.00 14.28 C ATOM 816 C ALA A 99 15.251 -9.289 47.012 1.00 14.02 C ATOM 817 O ALA A 99 14.535 -10.275 46.783 1.00 14.42 O ATOM 818 CB ALA A 99 16.159 -9.478 49.339 1.00 16.41 C ATOM 819 N PHE A 100 15.985 -8.669 46.088 1.00 12.13 N ATOM 820 CA PHE A 100 15.960 -9.027 44.673 1.00 12.46 C ATOM 821 C PHE A 100 17.378 -9.164 44.132 1.00 13.79 C ATOM 822 O PHE A 100 18.252 -8.348 44.444 1.00 14.02 O ATOM 823 CB PHE A 100 15.262 -7.934 43.851 1.00 13.54 C ATOM 824 CG PHE A 100 13.824 -7.706 44.221 1.00 13.05 C ATOM 825 CD1 PHE A 100 12.810 -8.423 43.601 1.00 12.56 C ATOM 826 CD2 PHE A 100 13.481 -6.778 45.197 1.00 13.82 C ATOM 827 CE1 PHE A 100 11.483 -8.207 43.935 1.00 14.96 C ATOM 828 CE2 PHE A 100 12.154 -6.564 45.535 1.00 12.60 C ATOM 829 CZ PHE A 100 11.155 -7.286 44.911 1.00 14.21 C ATOM 830 N ALA A 101 17.587 -10.180 43.295 1.00 14.16 N ATOM 831 CA ALA A 101 18.859 -10.373 42.620 1.00 14.81 C ATOM 832 C ALA A 101 18.971 -9.370 41.490 1.00 14.36 C ATOM 833 O ALA A 101 17.993 -9.100 40.795 1.00 15.91 O ATOM 834 CB ALA A 101 18.967 -11.796 42.076 1.00 15.34 C ATOM 835 N LEU A 102 20.165 -8.814 41.322 1.00 15.16 N ATOM 836 CA LEU A 102 20.443 -7.878 40.246 1.00 14.53 C ATOM 837 C LEU A 102 21.301 -8.546 39.168 1.00 15.75 C ATOM 838 O LEU A 102 21.952 -9.550 39.434 1.00 17.05 O ATOM 839 CB LEU A 102 21.152 -6.646 40.793 1.00 15.13 C ATOM 840 CG LEU A 102 20.417 -5.949 41.941 1.00 15.84 C ATOM 841 CD1 LEU A 102 21.266 -4.829 42.507 1.00 13.85 C ATOM 842 CD2 LEU A 102 19.069 -5.436 41.471 1.00 14.73 C ATOM 843 N PRO A 103 21.306 -7.985 37.946 1.00 16.67 N ATOM 844 CA PRO A 103 22.014 -8.651 36.847 1.00 18.02 C ATOM 845 C PRO A 103 23.527 -8.845 37.018 1.00 19.20 C ATOM 846 O PRO A 103 24.097 -9.687 36.330 1.00 22.11 O ATOM 847 CB PRO A 103 21.740 -7.735 35.646 1.00 19.57 C ATOM 848 CG PRO A 103 20.468 -7.043 35.979 1.00 17.77 C ATOM 849 CD PRO A 103 20.531 -6.824 37.465 1.00 15.10 C ATOM 850 N ASP A 104 24.164 -8.067 37.896 1.00 18.85 N ATOM 851 CA ASP A 104 25.608 -8.200 38.127 1.00 22.22 C ATOM 852 C ASP A 104 25.996 -8.989 39.381 1.00 21.58 C ATOM 853 O ASP A 104 27.175 -9.063 39.724 1.00 26.66 O ATOM 854 CB ASP A 104 26.283 -6.821 38.120 1.00 25.18 C ATOM 855 CG ASP A 104 26.027 -6.005 39.377 1.00 25.84 C ATOM 856 OD1 ASP A 104 25.280 -6.428 40.292 1.00 25.04 O ATOM 857 OD2 ASP A 104 26.598 -4.900 39.446 1.00 32.02 O ATOM 858 N GLY A 105 25.018 -9.585 40.055 1.00 19.79 N ATOM 859 CA GLY A 105 25.312 -10.464 41.184 1.00 20.15 C ATOM 860 C GLY A 105 25.027 -9.829 42.521 1.00 19.80 C ATOM 861 O GLY A 105 24.885 -10.534 43.521 1.00 21.07 O ATOM 862 N ARG A 106 24.944 -8.500 42.553 1.00 18.27 N ATOM 863 CA ARG A 106 24.516 -7.809 43.766 1.00 17.45 C ATOM 864 C ARG A 106 23.030 -8.065 43.976 1.00 15.68 C ATOM 865 O ARG A 106 22.339 -8.562 43.077 1.00 15.80 O ATOM 866 CB ARG A 106 24.775 -6.303 43.671 1.00 15.79 C ATOM 867 CG ARG A 106 26.249 -5.926 43.702 1.00 16.41 C ATOM 868 CD ARG A 106 26.419 -4.426 43.551 1.00 17.78 C ATOM 869 NE ARG A 106 26.112 -3.996 42.193 1.00 21.11 N ATOM 870 CZ ARG A 106 25.820 -2.750 41.823 1.00 22.55 C ATOM 871 NH1 ARG A 106 25.764 -1.762 42.703 1.00 23.25 N ATOM 872 NH2 ARG A 106 25.572 -2.498 40.542 1.00 23.75 N ATOM 873 N TRP A 107 22.558 -7.747 45.179 1.00 14.51 N ATOM 874 CA TRP A 107 21.150 -7.803 45.518 1.00 14.46 C ATOM 875 C TRP A 107 20.683 -6.449 46.022 1.00 13.57 C ATOM 876 O TRP A 107 21.470 -5.683 46.585 1.00 14.59 O ATOM 877 CB TRP A 107 20.901 -8.843 46.605 1.00 14.30 C ATOM 878 CG TRP A 107 20.798 -10.231 46.100 1.00 15.48 C ATOM 879 CD1 TRP A 107 21.690 -10.877 45.302 1.00 17.07 C ATOM 880 CD2 TRP A 107 19.747 -11.167 46.365 1.00 15.93 C ATOM 881 NE1 TRP A 107 21.263 -12.157 45.046 1.00 16.95 N ATOM 882 CE2 TRP A 107 20.072 -12.361 45.692 1.00 16.90 C ATOM 883 CE3 TRP A 107 18.559 -11.109 47.096 1.00 17.21 C ATOM 884 CZ2 TRP A 107 19.249 -13.486 45.722 1.00 17.83 C ATOM 885 CZ3 TRP A 107 17.744 -12.225 47.133 1.00 20.87 C ATOM 886 CH2 TRP A 107 18.091 -13.399 46.452 1.00 20.04 C ATOM 887 N ALA A 108 19.402 -6.171 45.799 1.00 12.43 N ATOM 888 CA ALA A 108 18.743 -4.987 46.328 1.00 11.89 C ATOM 889 C ALA A 108 17.840 -5.388 47.471 1.00 11.47 C ATOM 890 O ALA A 108 17.164 -6.419 47.395 1.00 13.80 O ATOM 891 CB ALA A 108 17.918 -4.313 45.253 1.00 12.50 C ATOM 892 N TYR A 109 17.833 -4.562 48.518 1.00 10.65 N ATOM 893 CA TYR A 109 17.000 -4.768 49.691 1.00 10.34 C ATOM 894 C TYR A 109 16.095 -3.558 49.875 1.00 10.08 C ATOM 895 O TYR A 109 16.556 -2.413 49.790 1.00 10.27 O ATOM 896 CB TYR A 109 17.849 -4.962 50.950 1.00 11.04 C ATOM 897 CG TYR A 109 16.982 -4.977 52.193 1.00 12.27 C ATOM 898 CD1 TYR A 109 16.076 -6.007 52.397 1.00 12.80 C ATOM 899 CD2 TYR A 109 17.010 -3.931 53.113 1.00 13.62 C ATOM 900 CE1 TYR A 109 15.238 -6.021 53.484 1.00 14.71 C ATOM 901 CE2 TYR A 109 16.173 -3.938 54.226 1.00 14.25 C ATOM 902 CZ TYR A 109 15.297 -4.989 54.400 1.00 15.65 C ATOM 903 OH TYR A 109 14.451 -5.029 55.475 1.00 17.63 O ATOM 904 N PHE A 110 14.814 -3.835 50.132 1.00 9.61 N ATOM 905 CA PHE A 110 13.803 -2.810 50.345 1.00 9.55 C ATOM 906 C PHE A 110 12.972 -3.095 51.588 1.00 10.31 C ATOM 907 O PHE A 110 12.634 -4.245 51.877 1.00 11.36 O ATOM 908 CB PHE A 110 12.883 -2.718 49.127 1.00 9.70 C ATOM 909 CG PHE A 110 13.610 -2.356 47.872 1.00 9.67 C ATOM 910 CD1 PHE A 110 14.212 -1.119 47.759 1.00 10.21 C ATOM 911 CD2 PHE A 110 13.738 -3.261 46.831 1.00 11.08 C ATOM 912 CE1 PHE A 110 14.914 -0.775 46.622 1.00 10.11 C ATOM 913 CE2 PHE A 110 14.441 -2.922 45.682 1.00 10.74 C ATOM 914 CZ PHE A 110 15.021 -1.680 45.581 1.00 11.12 C ATOM 915 N ALA A 111 12.637 -2.025 52.300 1.00 9.79 N ATOM 916 CA ALA A 111 11.752 -2.096 53.459 1.00 10.18 C ATOM 917 C ALA A 111 10.807 -0.900 53.443 1.00 10.41 C ATOM 918 O ALA A 111 11.241 0.257 53.469 1.00 10.85 O ATOM 919 CB ALA A 111 12.560 -2.139 54.747 1.00 9.85 C ATOM 920 N VAL A 112 9.514 -1.211 53.382 1.00 10.33 N ATOM 921 CA VAL A 112 8.458 -0.233 53.218 1.00 9.74 C ATOM 922 C VAL A 112 7.414 -0.447 54.318 1.00 10.82 C ATOM 923 O VAL A 112 6.973 -1.570 54.564 1.00 11.52 O ATOM 924 CB VAL A 112 7.802 -0.389 51.816 1.00 9.17 C ATOM 925 CG1 VAL A 112 6.550 0.460 51.685 1.00 9.98 C ATOM 926 CG2 VAL A 112 8.802 -0.051 50.722 1.00 10.01 C ATOM 927 N ARG A 113 7.045 0.641 54.979 1.00 10.90 N ATOM 928 CA ARG A 113 5.987 0.617 55.997 1.00 10.66 C ATOM 929 C ARG A 113 5.034 1.763 55.726 1.00 11.00 C ATOM 930 O ARG A 113 5.461 2.876 55.422 1.00 11.60 O ATOM 931 CB ARG A 113 6.559 0.669 57.428 1.00 11.60 C ATOM 932 CG ARG A 113 7.450 -0.523 57.730 1.00 12.28 C ATOM 933 CD ARG A 113 7.838 -0.641 59.188 1.00 12.99 C ATOM 934 NE ARG A 113 6.685 -0.958 60.019 1.00 14.99 N ATOM 935 CZ ARG A 113 6.196 -2.177 60.226 1.00 17.91 C ATOM 936 NH1 ARG A 113 6.765 -3.254 59.694 1.00 20.60 N ATOM 937 NH2 ARG A 113 5.138 -2.324 61.010 1.00 21.60 N ATOM 938 N ASP A 114 3.738 1.475 55.813 1.00 10.87 N ATOM 939 CA ASP A 114 2.705 2.435 55.466 1.00 11.79 C ATOM 940 C ASP A 114 2.944 3.021 54.070 1.00 11.16 C ATOM 941 O ASP A 114 2.762 4.212 53.832 1.00 11.50 O ATOM 942 CB ASP A 114 2.596 3.539 56.515 1.00 12.94 C ATOM 943 CG ASP A 114 1.442 4.500 56.241 1.00 13.76 C ATOM 944 OD1 ASP A 114 0.357 4.043 55.832 1.00 16.05 O ATOM 945 OD2 ASP A 114 1.614 5.720 56.418 1.00 15.07 O ATOM 946 N HIS A 115 3.359 2.142 53.162 1.00 11.07 N ATOM 947 CA HIS A 115 3.600 2.478 51.750 1.00 10.57 C ATOM 948 C HIS A 115 4.811 3.381 51.506 1.00 10.71 C ATOM 949 O HIS A 115 5.073 3.758 50.355 1.00 11.53 O ATOM 950 CB HIS A 115 2.346 3.112 51.105 1.00 11.51 C ATOM 951 CG HIS A 115 1.169 2.189 51.017 1.00 11.93 C ATOM 952 ND1 HIS A 115 1.159 1.061 50.224 1.00 11.79 N ATOM 953 CD2 HIS A 115 -0.047 2.239 51.613 1.00 14.21 C ATOM 954 CE1 HIS A 115 -0.007 0.453 50.342 1.00 13.72 C ATOM 955 NE2 HIS A 115 -0.756 1.148 51.177 1.00 14.99 N ATOM 956 N ALA A 116 5.572 3.708 52.545 1.00 11.20 N ATOM 957 CA ALA A 116 6.710 4.611 52.432 1.00 11.67 C ATOM 958 C ALA A 116 7.969 3.858 52.803 1.00 10.41 C ATOM 959 O ALA A 116 7.955 3.044 53.727 1.00 10.81 O ATOM 960 CB ALA A 116 6.527 5.803 53.353 1.00 12.24 C ATOM 961 N PHE A 117 9.064 4.126 52.097 1.00 9.88 N ATOM 962 CA PHE A 117 10.335 3.544 52.486 1.00 9.04 C ATOM 963 C PHE A 117 10.712 3.954 53.893 1.00 9.91 C ATOM 964 O PHE A 117 10.553 5.102 54.284 1.00 10.94 O ATOM 965 CB PHE A 117 11.454 3.964 51.537 1.00 8.67 C ATOM 966 CG PHE A 117 11.433 3.206 50.237 1.00 9.05 C ATOM 967 CD1 PHE A 117 11.693 1.846 50.231 1.00 9.69 C ATOM 968 CD2 PHE A 117 11.129 3.833 49.035 1.00 8.83 C ATOM 969 CE1 PHE A 117 11.672 1.120 49.060 1.00 9.02 C ATOM 970 CE2 PHE A 117 11.122 3.111 47.865 1.00 9.48 C ATOM 971 CZ PHE A 117 11.374 1.758 47.878 1.00 9.32 C ATOM 972 N MET A 118 11.260 3.000 54.618 1.00 9.86 N ATOM 973 CA MET A 118 11.955 3.320 55.849 1.00 10.04 C ATOM 974 C MET A 118 13.183 4.137 55.489 1.00 10.02 C ATOM 975 O MET A 118 13.651 4.101 54.348 1.00 10.91 O ATOM 976 CB MET A 118 12.347 2.053 56.573 1.00 11.39 C ATOM 977 CG AMET A 118 11.231 1.082 56.912 0.25 12.20 C ATOM 978 SD AMET A 118 9.998 1.733 58.041 0.25 13.59 S ATOM 979 CE AMET A 118 9.001 2.718 56.936 0.25 14.22 C ATOM 980 CG BMET A 118 11.149 1.235 56.967 0.75 11.83 C ATOM 981 SD BMET A 118 11.602 -0.169 57.962 0.75 14.95 S ATOM 982 CE BMET A 118 11.971 0.629 59.521 0.75 14.22 C ATOM 983 N PRO A 119 13.727 4.885 56.447 1.00 9.68 N ATOM 984 CA PRO A 119 14.792 5.817 56.081 1.00 9.07 C ATOM 985 C PRO A 119 16.000 5.215 55.367 1.00 9.20 C ATOM 986 O PRO A 119 16.525 5.822 54.438 1.00 10.41 O ATOM 987 CB PRO A 119 15.201 6.389 57.425 1.00 8.81 C ATOM 988 CG PRO A 119 13.915 6.361 58.202 1.00 10.01 C ATOM 989 CD PRO A 119 13.238 5.101 57.826 1.00 9.29 C ATOM 990 N ASN A 120 16.424 4.035 55.799 1.00 9.86 N ATOM 991 CA ASN A 120 17.483 3.283 55.127 1.00 11.42 C ATOM 992 C ASN A 120 16.940 1.992 54.497 1.00 10.88 C ATOM 993 O ASN A 120 17.669 1.005 54.365 1.00 12.05 O ATOM 994 CB ASN A 120 18.633 2.942 56.091 1.00 12.43 C ATOM 995 CG ASN A 120 19.383 4.161 56.589 1.00 14.85 C ATOM 996 OD1 ASN A 120 19.265 5.263 56.051 1.00 20.73 O ATOM 997 ND2 ASN A 120 20.199 3.952 57.600 1.00 16.36 N ATOM 998 N GLY A 121 15.671 2.009 54.091 1.00 9.62 N ATOM 999 CA GLY A 121 15.022 0.820 53.511 1.00 8.77 C ATOM 1000 C GLY A 121 15.208 0.671 52.008 1.00 9.38 C ATOM 1001 O GLY A 121 14.300 0.222 51.319 1.00 10.98 O ATOM 1002 N ASP A 122 16.386 1.037 51.528 1.00 9.86 N ATOM 1003 CA ASP A 122 16.705 1.014 50.093 1.00 9.80 C ATOM 1004 C ASP A 122 18.213 0.848 50.048 1.00 10.11 C ATOM 1005 O ASP A 122 18.955 1.784 50.309 1.00 11.35 O ATOM 1006 CB ASP A 122 16.238 2.331 49.469 1.00 9.16 C ATOM 1007 CG ASP A 122 16.734 2.546 48.046 1.00 10.04 C ATOM 1008 OD1 ASP A 122 17.423 1.677 47.464 1.00 10.97 O ATOM 1009 OD2 ASP A 122 16.432 3.639 47.511 1.00 10.08 O ATOM 1010 N TRP A 123 18.655 -0.371 49.762 1.00 11.48 N ATOM 1011 CA TRP A 123 20.055 -0.739 49.932 1.00 11.58 C ATOM 1012 C TRP A 123 20.464 -1.733 48.858 1.00 12.94 C ATOM 1013 O TRP A 123 19.664 -2.559 48.422 1.00 14.38 O ATOM 1014 CB TRP A 123 20.267 -1.327 51.336 1.00 13.59 C ATOM 1015 CG TRP A 123 21.680 -1.659 51.643 1.00 16.34 C ATOM 1016 CD1 TRP A 123 22.608 -0.839 52.214 1.00 19.72 C ATOM 1017 CD2 TRP A 123 22.344 -2.901 51.386 1.00 18.55 C ATOM 1018 NE1 TRP A 123 23.810 -1.493 52.327 1.00 22.76 N ATOM 1019 CE2 TRP A 123 23.675 -2.760 51.826 1.00 21.66 C ATOM 1020 CE3 TRP A 123 21.945 -4.113 50.812 1.00 19.70 C ATOM 1021 CZ2 TRP A 123 24.607 -3.789 51.723 1.00 24.09 C ATOM 1022 CZ3 TRP A 123 22.877 -5.140 50.712 1.00 22.90 C ATOM 1023 CH2 TRP A 123 24.186 -4.965 51.162 1.00 24.20 C ATOM 1024 N VAL A 124 21.708 -1.628 48.416 1.00 12.88 N ATOM 1025 CA VAL A 124 22.233 -2.539 47.417 1.00 13.59 C ATOM 1026 C VAL A 124 23.616 -2.996 47.846 1.00 16.04 C ATOM 1027 O VAL A 124 24.433 -2.189 48.281 1.00 18.60 O ATOM 1028 CB AVAL A 124 22.334 -1.861 46.036 0.50 14.38 C ATOM 1029 CG1AVAL A 124 23.195 -2.675 45.076 0.50 14.75 C ATOM 1030 CG2AVAL A 124 20.949 -1.664 45.458 0.50 14.93 C ATOM 1031 CB BVAL A 124 22.225 -1.887 46.013 0.50 14.37 C ATOM 1032 CG1BVAL A 124 23.009 -0.586 46.006 0.50 13.53 C ATOM 1033 CG2BVAL A 124 22.736 -2.858 44.952 0.50 14.84 C ATOM 1034 N GLY A 125 23.869 -4.293 47.720 1.00 15.89 N ATOM 1035 CA GLY A 125 25.181 -4.854 48.039 1.00 17.94 C ATOM 1036 C GLY A 125 25.176 -6.352 47.837 1.00 16.28 C ATOM 1037 O GLY A 125 24.476 -6.862 46.964 1.00 15.72 O ATOM 1038 N SER A 126 25.957 -7.071 48.635 1.00 18.13 N ATOM 1039 CA SER A 126 26.053 -8.512 48.454 1.00 20.62 C ATOM 1040 C SER A 126 24.743 -9.211 48.802 1.00 20.15 C ATOM 1041 O SER A 126 23.937 -8.698 49.583 1.00 19.94 O ATOM 1042 CB SER A 126 27.191 -9.092 49.290 1.00 21.21 C ATOM 1043 OG SER A 126 26.822 -9.162 50.654 1.00 23.73 O ATOM 1044 N ARG A 127 24.546 -10.385 48.208 1.00 20.43 N ATOM 1045 CA ARG A 127 23.427 -11.263 48.538 1.00 21.79 C ATOM 1046 C ARG A 127 23.379 -11.543 50.041 1.00 22.58 C ATOM 1047 O ARG A 127 22.316 -11.511 50.657 1.00 22.34 O ATOM 1048 CB ARG A 127 23.555 -12.581 47.772 1.00 24.12 C ATOM 1049 CG ARG A 127 22.481 -13.606 48.090 1.00 26.08 C ATOM 1050 CD ARG A 127 22.503 -14.763 47.106 0.50 27.44 C ATOM 1051 NE ARG A 127 21.861 -15.948 47.664 0.50 31.21 N ATOM 1052 CZ ARG A 127 22.511 -16.907 48.315 0.50 31.44 C ATOM 1053 NH1 ARG A 127 23.822 -16.821 48.482 0.50 32.88 N ATOM 1054 NH2 ARG A 127 21.855 -17.953 48.798 0.50 25.11 N ATOM 1055 N GLU A 128 24.548 -11.806 50.617 1.00 23.79 N ATOM 1056 CA GLU A 128 24.650 -12.194 52.019 1.00 25.68 C ATOM 1057 C GLU A 128 24.195 -11.055 52.924 1.00 23.08 C ATOM 1058 O GLU A 128 23.438 -11.283 53.866 1.00 25.14 O ATOM 1059 CB GLU A 128 26.083 -12.620 52.363 1.00 26.49 C ATOM 1060 CG GLU A 128 26.513 -13.946 51.738 0.50 27.17 C ATOM 1061 CD GLU A 128 26.534 -13.933 50.217 0.50 28.12 C ATOM 1062 OE1 GLU A 128 26.966 -12.919 49.620 0.50 23.91 O ATOM 1063 OE2 GLU A 128 26.113 -14.943 49.616 0.50 31.52 O ATOM 1064 N GLU A 129 24.624 -9.828 52.622 1.00 23.01 N ATOM 1065 CA GLU A 129 24.272 -8.701 53.478 1.00 24.26 C ATOM 1066 C GLU A 129 22.801 -8.344 53.248 1.00 21.01 C ATOM 1067 O GLU A 129 22.127 -7.914 54.173 1.00 20.30 O ATOM 1068 CB AGLU A 129 25.312 -7.579 53.232 0.50 26.01 C ATOM 1069 CG AGLU A 129 26.824 -7.992 53.330 0.50 27.94 C ATOM 1070 CD AGLU A 129 27.703 -7.035 52.535 0.50 27.79 C ATOM 1071 OE1AGLU A 129 27.237 -6.510 51.493 0.50 25.71 O ATOM 1072 OE2AGLU A 129 28.858 -6.806 52.940 0.50 30.19 O ATOM 1073 CB BGLU A 129 24.967 -7.364 53.201 0.50 26.12 C ATOM 1074 CG BGLU A 129 24.596 -6.300 54.247 0.50 26.09 C ATOM 1075 CD BGLU A 129 25.655 -5.241 54.491 0.50 25.23 C ATOM 1076 OE1BGLU A 129 26.771 -5.338 53.941 0.50 26.15 O ATOM 1077 OE2BGLU A 129 25.357 -4.292 55.247 0.50 23.99 O ATOM 1078 N ALA A 130 22.307 -8.484 52.015 1.00 17.95 N ATOM 1079 CA ALA A 130 20.889 -8.220 51.748 1.00 16.82 C ATOM 1080 C ALA A 130 19.965 -9.132 52.559 1.00 18.52 C ATOM 1081 O ALA A 130 18.985 -8.662 53.137 1.00 20.03 O ATOM 1082 CB ALA A 130 20.587 -8.358 50.264 1.00 15.28 C ATOM 1083 N LEU A 131 20.285 -10.426 52.591 1.00 19.24 N ATOM 1084 CA LEU A 131 19.522 -11.410 53.368 1.00 22.63 C ATOM 1085 C LEU A 131 19.618 -11.117 54.866 1.00 22.69 C ATOM 1086 O LEU A 131 18.654 -11.309 55.609 1.00 23.47 O ATOM 1087 CB LEU A 131 20.040 -12.826 53.103 1.00 27.01 C ATOM 1088 CG LEU A 131 19.759 -13.435 51.727 1.00 30.11 C ATOM 1089 CD1 LEU A 131 20.655 -14.638 51.468 0.50 31.09 C ATOM 1090 CD2 LEU A 131 18.305 -13.837 51.618 0.50 31.12 C ATOM 1091 N GLU A 132 20.789 -10.659 55.300 1.00 21.47 N ATOM 1092 CA GLU A 132 21.008 -10.313 56.703 1.00 20.79 C ATOM 1093 C GLU A 132 20.117 -9.136 57.120 1.00 20.52 C ATOM 1094 O GLU A 132 19.452 -9.189 58.155 1.00 21.72 O ATOM 1095 CB GLU A 132 22.491 -9.990 56.935 1.00 21.54 C ATOM 1096 CG GLU A 132 22.928 -9.931 58.388 1.00 21.82 C ATOM 1097 CD GLU A 132 22.856 -11.272 59.101 1.00 21.91 C ATOM 1098 OE1 GLU A 132 23.167 -12.317 58.497 1.00 23.97 O ATOM 1099 OE2 GLU A 132 22.495 -11.272 60.287 1.00 26.42 O ATOM 1100 N ARG A 133 20.077 -8.096 56.286 1.00 19.38 N ATOM 1101 CA ARG A 133 19.238 -6.922 56.539 1.00 19.62 C ATOM 1102 C ARG A 133 17.754 -7.301 56.537 1.00 19.92 C ATOM 1103 O ARG A 133 16.987 -6.835 57.382 1.00 19.97 O ATOM 1104 CB ARG A 133 19.526 -5.811 55.507 1.00 20.17 C ATOM 1105 CG ARG A 133 20.823 -5.059 55.780 1.00 22.31 C ATOM 1106 CD ARG A 133 21.113 -4.010 54.718 1.00 23.48 C ATOM 1107 NE ARG A 133 22.343 -3.261 54.989 1.00 24.69 N ATOM 1108 CZ ARG A 133 22.418 -1.961 55.282 0.50 23.46 C ATOM 1109 NH1 ARG A 133 21.332 -1.200 55.354 0.50 22.54 N ATOM 1110 NH2 ARG A 133 23.604 -1.405 55.493 0.50 25.53 N ATOM 1111 N LEU A 134 17.368 -8.157 55.590 1.00 19.37 N ATOM 1112 CA LEU A 134 15.994 -8.665 55.482 1.00 19.68 C ATOM 1113 C LEU A 134 15.553 -9.335 56.779 1.00 21.93 C ATOM 1114 O LEU A 134 14.536 -8.972 57.365 1.00 23.18 O ATOM 1115 CB LEU A 134 15.890 -9.642 54.297 1.00 20.27 C ATOM 1116 CG LEU A 134 14.640 -10.508 54.105 1.00 23.72 C ATOM 1117 CD1 LEU A 134 13.426 -9.630 53.892 1.00 23.73 C ATOM 1118 CD2 LEU A 134 14.815 -11.455 52.924 1.00 27.11 C ATOM 1119 N HIS A 135 16.342 -10.296 57.237 1.00 21.03 N ATOM 1120 CA HIS A 135 16.011 -11.020 58.465 1.00 21.96 C ATOM 1121 C HIS A 135 15.990 -10.102 59.685 1.00 22.59 C ATOM 1122 O HIS A 135 15.177 -10.283 60.596 1.00 23.28 O ATOM 1123 CB HIS A 135 16.986 -12.172 58.679 1.00 24.70 C ATOM 1124 CG HIS A 135 16.658 -13.392 57.877 1.00 26.85 C ATOM 1125 ND1 HIS A 135 15.572 -14.195 58.158 1.00 27.31 N ATOM 1126 CD2 HIS A 135 17.276 -13.953 56.811 1.00 27.03 C ATOM 1127 CE1 HIS A 135 15.534 -15.195 57.295 1.00 30.45 C ATOM 1128 NE2 HIS A 135 16.556 -15.070 56.467 1.00 31.96 N ATOM 1129 N THR A 136 16.876 -9.111 59.698 1.00 22.14 N ATOM 1130 CA THR A 136 16.961 -8.182 60.815 1.00 22.03 C ATOM 1131 C THR A 136 15.689 -7.338 60.935 1.00 23.45 C ATOM 1132 O THR A 136 15.135 -7.216 62.015 1.00 23.96 O ATOM 1133 CB THR A 136 18.211 -7.287 60.707 1.00 24.99 C ATOM 1134 OG1 THR A 136 19.387 -8.105 60.777 1.00 24.78 O ATOM 1135 CG2 THR A 136 18.251 -6.271 61.841 1.00 25.60 C ATOM 1136 N ASP A 137 15.209 -6.779 59.826 1.00 21.67 N ATOM 1137 CA ASP A 137 13.972 -5.997 59.864 1.00 20.45 C ATOM 1138 C ASP A 137 12.766 -6.905 60.101 1.00 20.25 C ATOM 1139 O ASP A 137 11.818 -6.517 60.793 1.00 21.89 O ATOM 1140 CB ASP A 137 13.771 -5.187 58.579 1.00 19.74 C ATOM 1141 CG ASP A 137 14.541 -3.870 58.572 1.00 22.78 C ATOM 1142 OD1 ASP A 137 14.666 -3.202 59.632 1.00 29.71 O ATOM 1143 OD2 ASP A 137 14.988 -3.485 57.476 1.00 21.32 O ATOM 1144 N TYR A 138 12.822 -8.121 59.561 1.00 19.31 N ATOM 1145 CA TYR A 138 11.720 -9.076 59.698 1.00 19.75 C ATOM 1146 C TYR A 138 11.420 -9.359 61.167 1.00 19.86 C ATOM 1147 O TYR A 138 10.255 -9.499 61.541 1.00 20.13 O ATOM 1148 CB TYR A 138 12.016 -10.380 58.950 1.00 21.15 C ATOM 1149 CG TYR A 138 10.869 -11.373 58.955 1.00 21.35 C ATOM 1150 CD1 TYR A 138 9.796 -11.256 58.061 1.00 22.88 C ATOM 1151 CD2 TYR A 138 10.851 -12.426 59.863 1.00 23.48 C ATOM 1152 CE1 TYR A 138 8.748 -12.171 58.080 1.00 25.23 C ATOM 1153 CE2 TYR A 138 9.811 -13.342 59.889 1.00 23.01 C ATOM 1154 CZ TYR A 138 8.765 -13.216 59.000 1.00 26.68 C ATOM 1155 OH TYR A 138 7.742 -14.141 59.047 1.00 28.74 O ATOM 1156 N ALA A 139 12.466 -9.403 61.998 1.00 19.11 N ATOM 1157 CA ALA A 139 12.315 -9.664 63.433 1.00 17.42 C ATOM 1158 C ALA A 139 11.437 -8.638 64.153 1.00 19.46 C ATOM 1159 O ALA A 139 10.863 -8.955 65.198 1.00 19.70 O ATOM 1160 CB ALA A 139 13.684 -9.746 64.095 1.00 18.63 C ATOM 1161 N TRP A 140 11.313 -7.426 63.606 1.00 19.63 N ATOM 1162 CA TRP A 140 10.454 -6.408 64.222 1.00 20.97 C ATOM 1163 C TRP A 140 8.970 -6.780 64.160 1.00 18.94 C ATOM 1164 O TRP A 140 8.178 -6.299 64.965 1.00 20.98 O ATOM 1165 CB TRP A 140 10.649 -5.030 63.581 1.00 23.97 C ATOM 1166 CG TRP A 140 11.921 -4.312 63.958 1.00 21.99 C ATOM 1167 CD1 TRP A 140 13.180 -4.567 63.484 1.00 21.28 C ATOM 1168 CD2 TRP A 140 12.050 -3.197 64.853 1.00 20.78 C ATOM 1169 NE1 TRP A 140 14.080 -3.687 64.033 1.00 20.59 N ATOM 1170 CE2 TRP A 140 13.417 -2.843 64.883 1.00 21.95 C ATOM 1171 CE3 TRP A 140 11.150 -2.474 65.644 1.00 22.82 C ATOM 1172 CZ2 TRP A 140 13.902 -1.795 65.666 1.00 21.20 C ATOM 1173 CZ3 TRP A 140 11.633 -1.430 66.420 1.00 23.38 C ATOM 1174 CH2 TRP A 140 13.001 -1.101 66.424 1.00 24.13 C ATOM 1175 N GLY A 141 8.596 -7.627 63.202 1.00 18.89 N ATOM 1176 CA GLY A 141 7.195 -7.989 62.998 1.00 18.96 C ATOM 1177 C GLY A 141 6.388 -6.871 62.358 1.00 19.46 C ATOM 1178 O GLY A 141 6.924 -5.817 62.004 1.00 20.45 O ATOM 1179 N GLY A 142 5.090 -7.103 62.201 1.00 18.62 N ATOM 1180 CA GLY A 142 4.212 -6.109 61.602 1.00 18.55 C ATOM 1181 C GLY A 142 4.368 -5.984 60.096 1.00 18.34 C ATOM 1182 O GLY A 142 4.008 -4.959 59.519 1.00 23.35 O ATOM 1183 N TRP A 143 4.896 -7.032 59.470 1.00 15.99 N ATOM 1184 CA TRP A 143 5.064 -7.080 58.021 1.00 16.53 C ATOM 1185 C TRP A 143 3.910 -7.838 57.377 1.00 15.99 C ATOM 1186 O TRP A 143 3.547 -8.916 57.821 1.00 18.38 O ATOM 1187 CB TRP A 143 6.386 -7.763 57.659 1.00 17.01 C ATOM 1188 CG TRP A 143 7.546 -7.043 58.208 1.00 15.13 C ATOM 1189 CD1 TRP A 143 8.306 -7.411 59.282 1.00 15.94 C ATOM 1190 CD2 TRP A 143 8.049 -5.780 57.775 1.00 13.49 C ATOM 1191 NE1 TRP A 143 9.266 -6.475 59.519 1.00 15.96 N ATOM 1192 CE2 TRP A 143 9.138 -5.460 58.607 1.00 14.37 C ATOM 1193 CE3 TRP A 143 7.703 -4.900 56.741 1.00 13.07 C ATOM 1194 CZ2 TRP A 143 9.880 -4.296 58.447 1.00 14.82 C ATOM 1195 CZ3 TRP A 143 8.442 -3.744 56.584 1.00 13.53 C ATOM 1196 CH2 TRP A 143 9.517 -3.450 57.435 1.00 14.35 C ATOM 1197 N ASN A 144 3.350 -7.282 56.311 1.00 15.80 N ATOM 1198 CA ASN A 144 2.299 -7.971 55.571 1.00 15.80 C ATOM 1199 C ASN A 144 2.848 -9.197 54.853 1.00 16.81 C ATOM 1200 O ASN A 144 2.239 -10.265 54.865 1.00 18.31 O ATOM 1201 CB ASN A 144 1.687 -7.075 54.495 1.00 14.19 C ATOM 1202 CG ASN A 144 1.103 -5.778 55.026 1.00 14.84 C ATOM 1203 OD1 ASN A 144 1.131 -4.767 54.319 1.00 16.65 O ATOM 1204 ND2 ASN A 144 0.549 -5.791 56.234 1.00 14.51 N ATOM 1205 N VAL A 145 3.998 -9.013 54.210 1.00 16.56 N ATOM 1206 CA VAL A 145 4.512 -9.974 53.261 1.00 16.09 C ATOM 1207 C VAL A 145 5.986 -9.694 52.983 1.00 14.47 C ATOM 1208 O VAL A 145 6.442 -8.549 53.098 1.00 14.40 O ATOM 1209 CB VAL A 145 3.695 -9.913 51.941 1.00 16.60 C ATOM 1210 CG1 VAL A 145 3.813 -8.542 51.280 1.00 16.49 C ATOM 1211 CG2 VAL A 145 4.118 -11.020 50.989 1.00 17.60 C ATOM 1212 N VAL A 146 6.721 -10.750 52.640 1.00 14.75 N ATOM 1213 CA VAL A 146 8.062 -10.632 52.083 1.00 14.49 C ATOM 1214 C VAL A 146 7.943 -10.869 50.580 1.00 15.99 C ATOM 1215 O VAL A 146 7.425 -11.893 50.152 1.00 17.17 O ATOM 1216 CB VAL A 146 9.048 -11.647 52.691 1.00 15.40 C ATOM 1217 CG1 VAL A 146 10.391 -11.577 51.980 1.00 16.57 C ATOM 1218 CG2 VAL A 146 9.241 -11.365 54.166 1.00 15.73 C ATOM 1219 N ILE A 147 8.413 -9.910 49.790 1.00 15.76 N ATOM 1220 CA ILE A 147 8.321 -9.976 48.337 1.00 16.36 C ATOM 1221 C ILE A 147 9.730 -10.023 47.795 1.00 18.77 C ATOM 1222 O ILE A 147 10.529 -9.138 48.083 1.00 21.50 O ATOM 1223 CB ILE A 147 7.617 -8.723 47.771 1.00 17.51 C ATOM 1224 CG1 ILE A 147 6.249 -8.521 48.440 1.00 19.74 C ATOM 1225 CG2 ILE A 147 7.478 -8.814 46.246 1.00 17.20 C ATOM 1226 CD1 ILE A 147 5.523 -7.255 48.034 1.00 20.61 C ATOM 1227 N GLY A 148 10.046 -11.040 47.002 1.00 18.44 N ATOM 1228 CA GLY A 148 11.368 -11.095 46.402 1.00 19.34 C ATOM 1229 C GLY A 148 11.740 -12.362 45.671 1.00 20.66 C ATOM 1230 O GLY A 148 10.885 -13.180 45.310 1.00 20.26 O ATOM 1231 N GLU A 149 13.043 -12.499 45.455 1.00 21.13 N ATOM 1232 CA GLU A 149 13.605 -13.552 44.623 1.00 25.01 C ATOM 1233 C GLU A 149 13.016 -14.903 45.026 1.00 24.31 C ATOM 1234 O GLU A 149 12.994 -15.236 46.218 1.00 23.83 O ATOM 1235 CB GLU A 149 15.134 -13.565 44.744 1.00 25.20 C ATOM 1236 CG GLU A 149 15.850 -14.020 43.482 1.00 26.25 C ATOM 1237 CD GLU A 149 15.616 -13.106 42.294 1.00 26.93 C ATOM 1238 OE1 GLU A 149 15.424 -11.887 42.475 1.00 23.28 O ATOM 1239 OE2 GLU A 149 15.632 -13.617 41.160 1.00 31.99 O ATOM 1240 N PRO A 150 12.501 -15.670 44.044 1.00 23.75 N ATOM 1241 CA PRO A 150 11.826 -16.935 44.338 1.00 24.94 C ATOM 1242 C PRO A 150 12.558 -17.865 45.306 1.00 25.24 C ATOM 1243 O PRO A 150 11.908 -18.539 46.101 1.00 31.52 O ATOM 1244 CB PRO A 150 11.708 -17.580 42.958 0.50 24.41 C ATOM 1245 CG PRO A 150 11.505 -16.416 42.059 1.00 26.70 C ATOM 1246 CD PRO A 150 12.370 -15.317 42.614 1.00 24.07 C ATOM 1247 N GLU A 151 13.888 -17.888 45.249 1.00 27.74 N ATOM 1248 CA GLU A 151 14.692 -18.710 46.167 1.00 31.62 C ATOM 1249 C GLU A 151 14.463 -18.427 47.661 1.00 29.85 C ATOM 1250 O GLU A 151 14.755 -19.279 48.503 1.00 34.48 O ATOM 1251 CB GLU A 151 16.184 -18.557 45.858 1.00 35.37 C ATOM 1252 CG GLU A 151 16.721 -17.143 46.025 1.00 36.54 C ATOM 1253 CD GLU A 151 18.205 -17.117 46.326 1.00 37.73 C ATOM 1254 OE1 GLU A 151 18.590 -17.358 47.494 1.00 45.06 O ATOM 1255 OE2 GLU A 151 18.984 -16.846 45.396 1.00 37.43 O ATOM 1256 N LEU A 152 13.968 -17.232 47.987 1.00 26.72 N ATOM 1257 CA LEU A 152 13.647 -16.878 49.377 1.00 24.64 C ATOM 1258 C LEU A 152 12.504 -17.708 49.966 1.00 27.36 C ATOM 1259 O LEU A 152 12.258 -17.654 51.173 1.00 28.38 O ATOM 1260 CB LEU A 152 13.302 -15.391 49.497 1.00 24.99 C ATOM 1261 CG LEU A 152 14.424 -14.397 49.211 1.00 26.90 C ATOM 1262 CD1 LEU A 152 13.883 -12.976 49.216 1.00 26.49 C ATOM 1263 CD2 LEU A 152 15.550 -14.535 50.217 1.00 28.62 C ATOM 1264 N GLU A 153 11.802 -18.453 49.112 1.00 27.37 N ATOM 1265 CA GLU A 153 10.815 -19.440 49.545 1.00 28.49 C ATOM 1266 C GLU A 153 11.353 -20.313 50.685 1.00 30.23 C ATOM 1267 O GLU A 153 10.634 -20.608 51.636 1.00 34.93 O ATOM 1268 CB GLU A 153 10.385 -20.321 48.359 1.00 30.81 C ATOM 1269 CG GLU A 153 11.498 -21.184 47.763 0.50 31.26 C ATOM 1270 CD GLU A 153 11.128 -21.821 46.429 0.50 32.77 C ATOM 1271 OE1 GLU A 153 9.952 -21.734 46.019 0.50 37.08 O ATOM 1272 OE2 GLU A 153 12.017 -22.422 45.789 0.50 34.73 O ATOM 1273 N ARG A 154 12.631 -20.581 50.603 1.00 32.87 N ATOM 1274 CA ARG A 154 13.342 -21.522 51.449 1.00 33.00 C ATOM 1275 C ARG A 154 13.602 -20.959 52.851 1.00 34.35 C ATOM 1276 O ARG A 154 13.947 -21.669 53.720 1.00 38.67 O ATOM 1277 CB ARG A 154 14.647 -21.878 50.754 0.50 32.96 C ATOM 1278 CG ARG A 154 14.664 -23.095 49.812 0.50 31.95 C ATOM 1279 CD ARG A 154 14.013 -22.926 48.428 0.50 32.03 C ATOM 1280 NE ARG A 154 14.885 -22.766 47.247 0.50 33.43 N ATOM 1281 NH1 ARG A 154 16.876 -22.394 48.378 1.00 46.12 N ATOM 1282 NH2 ARG A 154 16.827 -22.347 46.119 0.50 36.47 N ATOM 1283 N GLN A 155 13.450 -19.671 53.041 1.00 33.58 N ATOM 1284 CA GLN A 155 13.717 -18.989 54.309 1.00 36.26 C ATOM 1285 C GLN A 155 12.612 -19.223 55.342 1.00 35.85 C ATOM 1286 O GLN A 155 12.847 -19.105 56.545 1.00 44.18 O ATOM 1287 CB GLN A 155 13.890 -17.483 54.079 1.00 37.31 C ATOM 1288 CG GLN A 155 15.064 -17.107 53.185 1.00 39.58 C ATOM 1289 CD GLN A 155 16.408 -17.494 53.775 1.00 41.78 C ATOM 1290 OE1 GLN A 155 16.589 -17.490 54.994 1.00 44.48 O ATOM 1291 NE2 GLN A 155 17.362 -17.826 52.911 1.00 43.42 N ATOM 1292 N GLY A 156 11.406 -19.534 54.872 1.00 36.77 N ATOM 1293 CA GLY A 156 10.293 -19.856 55.760 1.00 35.38 C ATOM 1294 C GLY A 156 9.634 -18.654 56.418 1.00 32.55 C ATOM 1295 O GLY A 156 9.223 -18.727 57.580 1.00 41.34 O ATOM 1296 N PHE A 157 9.524 -17.553 55.677 1.00 32.97 N ATOM 1297 CA PHE A 157 8.769 -16.384 56.126 1.00 28.99 C ATOM 1298 C PHE A 157 7.284 -16.746 56.155 1.00 28.17 C ATOM 1299 O PHE A 157 6.842 -17.609 55.396 1.00 34.20 O ATOM 1300 CB PHE A 157 9.007 -15.190 55.184 1.00 25.68 C ATOM 1301 CG PHE A 157 10.452 -14.762 55.088 1.00 25.45 C ATOM 1302 CD1 PHE A 157 11.099 -14.207 56.181 1.00 26.08 C ATOM 1303 CD2 PHE A 157 11.163 -14.899 53.900 1.00 25.67 C ATOM 1304 CE1 PHE A 157 12.424 -13.806 56.100 1.00 25.55 C ATOM 1305 CE2 PHE A 157 12.488 -14.496 53.814 1.00 24.68 C ATOM 1306 CZ PHE A 157 13.122 -13.952 54.915 1.00 25.52 C ATOM 1307 N GLN A 158 6.515 -16.090 57.020 1.00 28.90 N ATOM 1308 CA GLN A 158 5.100 -16.436 57.209 1.00 29.95 C ATOM 1309 C GLN A 158 4.272 -16.192 55.949 1.00 28.21 C ATOM 1310 O GLN A 158 3.436 -17.013 55.580 1.00 31.01 O ATOM 1311 CB GLN A 158 4.500 -15.659 58.386 1.00 31.31 C ATOM 1312 CG GLN A 158 3.114 -16.138 58.797 0.50 34.63 C ATOM 1313 CD GLN A 158 2.613 -15.483 60.069 0.50 37.57 C ATOM 1314 OE1 GLN A 158 2.912 -14.320 60.344 0.50 41.80 O ATOM 1315 NE2 GLN A 158 1.839 -16.229 60.852 0.50 37.51 N ATOM 1316 N ASN A 159 4.513 -15.055 55.301 1.00 26.68 N ATOM 1317 CA ASN A 159 3.851 -14.693 54.052 1.00 23.77 C ATOM 1318 C ASN A 159 4.921 -14.303 53.040 1.00 22.39 C ATOM 1319 O ASN A 159 5.601 -13.284 53.211 1.00 21.01 O ATOM 1320 CB ASN A 159 2.906 -13.507 54.267 1.00 26.12 C ATOM 1321 CG ASN A 159 1.733 -13.841 55.174 1.00 26.39 C ATOM 1322 OD1 ASN A 159 1.652 -13.367 56.312 1.00 31.17 O ATOM 1323 ND2 ASN A 159 0.818 -14.655 54.676 1.00 27.76 N ATOM 1324 N PHE A 160 5.089 -15.129 52.009 1.00 23.26 N ATOM 1325 CA PHE A 160 6.082 -14.880 50.973 1.00 20.50 C ATOM 1326 C PHE A 160 5.433 -14.767 49.596 1.00 20.67 C ATOM 1327 O PHE A 160 4.569 -15.564 49.240 1.00 23.56 O ATOM 1328 CB PHE A 160 7.143 -15.982 50.944 1.00 22.09 C ATOM 1329 CG PHE A 160 8.149 -15.799 49.851 1.00 21.44 C ATOM 1330 CD1 PHE A 160 9.008 -14.706 49.869 1.00 20.34 C ATOM 1331 CD2 PHE A 160 8.212 -16.685 48.782 1.00 21.31 C ATOM 1332 CE1 PHE A 160 9.917 -14.506 48.846 1.00 21.26 C ATOM 1333 CE2 PHE A 160 9.121 -16.490 47.754 1.00 21.38 C ATOM 1334 CZ PHE A 160 9.977 -15.403 47.789 1.00 20.45 C ATOM 1335 N GLN A 161 5.879 -13.773 48.834 1.00 20.86 N ATOM 1336 CA GLN A 161 5.386 -13.499 47.491 1.00 22.08 C ATOM 1337 C GLN A 161 6.587 -13.536 46.550 1.00 20.17 C ATOM 1338 O GLN A 161 7.404 -12.623 46.581 1.00 20.05 O ATOM 1339 CB GLN A 161 4.738 -12.103 47.466 1.00 22.68 C ATOM 1340 CG GLN A 161 4.381 -11.562 46.084 1.00 24.59 C ATOM 1341 CD GLN A 161 3.144 -12.217 45.517 1.00 27.95 C ATOM 1342 OE1 GLN A 161 2.021 -11.898 45.920 1.00 28.27 O ATOM 1343 NE2 GLN A 161 3.337 -13.140 44.580 1.00 29.33 N ATOM 1344 N PRO A 162 6.728 -14.605 45.734 1.00 20.92 N ATOM 1345 CA PRO A 162 7.874 -14.610 44.828 1.00 19.84 C ATOM 1346 C PRO A 162 7.728 -13.535 43.753 1.00 20.05 C ATOM 1347 O PRO A 162 6.615 -13.295 43.264 1.00 20.24 O ATOM 1348 CB PRO A 162 7.856 -16.016 44.208 1.00 23.16 C ATOM 1349 CG PRO A 162 6.482 -16.535 44.434 1.00 25.05 C ATOM 1350 CD PRO A 162 5.953 -15.859 45.665 1.00 21.65 C ATOM 1351 N LYS A 163 8.845 -12.893 43.416 1.00 17.97 N ATOM 1352 CA LYS A 163 8.860 -11.776 42.479 1.00 18.62 C ATOM 1353 C LYS A 163 10.289 -11.488 42.026 1.00 19.09 C ATOM 1354 O LYS A 163 11.211 -11.477 42.842 1.00 18.81 O ATOM 1355 CB LYS A 163 8.274 -10.530 43.150 1.00 18.01 C ATOM 1356 CG LYS A 163 7.916 -9.392 42.208 1.00 19.11 C ATOM 1357 CD LYS A 163 6.786 -9.756 41.249 1.00 19.80 C ATOM 1358 CE LYS A 163 5.504 -10.178 41.964 1.00 23.19 C ATOM 1359 NZ LYS A 163 4.352 -10.320 41.026 1.00 25.28 N ATOM 1360 N ARG A 164 10.472 -11.265 40.725 1.00 21.25 N ATOM 1361 CA ARG A 164 11.755 -10.806 40.188 1.00 20.39 C ATOM 1362 C ARG A 164 11.594 -9.354 39.756 1.00 19.25 C ATOM 1363 O ARG A 164 10.486 -8.929 39.426 1.00 19.05 O ATOM 1364 CB ARG A 164 12.188 -11.667 38.997 1.00 22.34 C ATOM 1365 CG ARG A 164 12.385 -13.142 39.314 1.00 25.27 C ATOM 1366 CD ARG A 164 12.894 -13.898 38.094 1.00 27.15 C ATOM 1367 NE ARG A 164 12.841 -15.349 38.267 0.50 28.55 N ATOM 1368 CZ ARG A 164 13.735 -16.080 38.932 0.50 30.44 C ATOM 1369 NH1 ARG A 164 14.787 -15.523 39.527 0.50 31.07 N ATOM 1370 NH2 ARG A 164 13.569 -17.393 39.010 0.50 30.32 N ATOM 1371 N LEU A 165 12.680 -8.581 39.770 1.00 18.83 N ATOM 1372 CA LEU A 165 12.612 -7.184 39.312 1.00 20.67 C ATOM 1373 C LEU A 165 12.016 -7.076 37.918 1.00 19.78 C ATOM 1374 O LEU A 165 11.237 -6.165 37.642 1.00 20.31 O ATOM 1375 CB LEU A 165 13.986 -6.517 39.313 1.00 21.20 C ATOM 1376 CG LEU A 165 14.549 -6.133 40.676 1.00 20.03 C ATOM 1377 CD1 LEU A 165 15.976 -5.661 40.516 1.00 21.42 C ATOM 1378 CD2 LEU A 165 13.714 -5.056 41.351 1.00 19.08 C ATOM 1379 N ASP A 166 12.391 -8.011 37.048 1.00 20.71 N ATOM 1380 CA ASP A 166 11.874 -8.074 35.685 1.00 22.97 C ATOM 1381 C ASP A 166 10.346 -8.117 35.633 1.00 22.02 C ATOM 1382 O ASP A 166 9.742 -7.577 34.706 1.00 24.71 O ATOM 1383 CB ASP A 166 12.440 -9.306 34.969 1.00 23.49 C ATOM 1384 CG ASP A 166 12.097 -9.325 33.508 0.50 25.99 C ATOM 1385 OD1 ASP A 166 12.603 -8.447 32.793 1.00 29.96 O ATOM 1386 OD2 ASP A 166 11.310 -10.187 33.072 1.00 31.40 O ATOM 1387 N ASP A 167 9.730 -8.758 36.627 1.00 19.97 N ATOM 1388 CA ASP A 167 8.276 -8.828 36.720 1.00 20.68 C ATOM 1389 C ASP A 167 7.671 -7.460 37.026 1.00 18.08 C ATOM 1390 O ASP A 167 6.532 -7.196 36.664 1.00 20.91 O ATOM 1391 CB ASP A 167 7.824 -9.800 37.823 1.00 20.59 C ATOM 1392 CG ASP A 167 8.332 -11.232 37.625 1.00 22.69 C ATOM 1393 OD1 ASP A 167 8.481 -11.680 36.468 1.00 26.66 O ATOM 1394 OD2 ASP A 167 8.546 -11.927 38.649 1.00 26.45 O ATOM 1395 N LEU A 168 8.433 -6.602 37.707 1.00 17.04 N ATOM 1396 CA LEU A 168 7.924 -5.317 38.182 1.00 15.21 C ATOM 1397 C LEU A 168 8.108 -4.155 37.211 1.00 15.11 C ATOM 1398 O LEU A 168 7.338 -3.199 37.260 1.00 16.66 O ATOM 1399 CB LEU A 168 8.575 -4.956 39.518 1.00 14.72 C ATOM 1400 CG LEU A 168 8.337 -5.956 40.652 1.00 15.17 C ATOM 1401 CD1 LEU A 168 9.114 -5.511 41.883 1.00 14.74 C ATOM 1402 CD2 LEU A 168 6.857 -6.112 40.962 1.00 15.99 C ATOM 1403 N LEU A 169 9.126 -4.225 36.352 1.00 15.36 N ATOM 1404 CA LEU A 169 9.424 -3.131 35.431 1.00 17.35 C ATOM 1405 C LEU A 169 8.234 -2.867 34.527 1.00 17.66 C ATOM 1406 O LEU A 169 7.733 -3.797 33.905 1.00 20.70 O ATOM 1407 CB LEU A 169 10.610 -3.480 34.540 1.00 19.86 C ATOM 1408 CG LEU A 169 12.013 -3.364 35.107 1.00 21.77 C ATOM 1409 CD1 LEU A 169 12.972 -3.974 34.094 1.00 23.00 C ATOM 1410 CD2 LEU A 169 12.369 -1.913 35.392 1.00 20.53 C ATOM 1411 N PRO A 170 7.782 -1.603 34.438 1.00 17.38 N ATOM 1412 CA PRO A 170 6.708 -1.326 33.474 1.00 19.50 C ATOM 1413 C PRO A 170 7.204 -1.499 32.043 1.00 20.54 C ATOM 1414 O PRO A 170 8.395 -1.285 31.776 1.00 20.88 O ATOM 1415 CB PRO A 170 6.324 0.136 33.740 1.00 22.51 C ATOM 1416 CG PRO A 170 7.316 0.684 34.705 1.00 22.76 C ATOM 1417 CD PRO A 170 8.184 -0.421 35.224 1.00 20.38 C ATOM 1418 N ARG A 171 6.307 -1.891 31.136 1.00 22.63 N ATOM 1419 CA ARG A 171 6.713 -2.217 29.764 1.00 26.08 C ATOM 1420 C ARG A 171 5.858 -1.650 28.643 1.00 30.86 C ATOM 1421 O ARG A 171 4.685 -1.318 28.830 1.00 38.30 O ATOM 1422 CB ARG A 171 6.789 -3.729 29.579 1.00 30.54 C ATOM 1423 CG ARG A 171 7.947 -4.350 30.328 1.00 32.63 C ATOM 1424 CD ARG A 171 8.171 -5.783 29.912 1.00 36.62 C ATOM 1425 NE ARG A 171 9.038 -6.440 30.877 1.00 38.46 N ATOM 1426 CZ ARG A 171 10.357 -6.549 30.765 1.00 39.23 C ATOM 1427 NH1 ARG A 171 11.014 -6.056 29.718 1.00 38.61 N ATOM 1428 NH2 ARG A 171 11.028 -7.162 31.724 1.00 42.70 N ATOM 1429 N ARG A 172 6.513 -1.545 27.485 1.00 32.28 N ATOM 1430 CA ARG A 172 5.901 -1.323 26.181 0.50 29.44 C ATOM 1431 C ARG A 172 6.041 -2.629 25.404 1.00 34.27 C ATOM 1432 O ARG A 172 7.089 -2.890 24.807 1.00 40.31 O ATOM 1433 CB ARG A 172 6.648 -0.212 25.437 0.50 28.31 C ATOM 1434 CG ARG A 172 6.006 1.153 25.530 0.50 28.88 C ATOM 1435 CD ARG A 172 5.073 1.369 24.352 0.50 29.47 C ATOM 1436 NE ARG A 172 4.811 2.782 24.113 0.50 32.10 N ATOM 1437 CZ ARG A 172 5.701 3.629 23.606 0.50 31.71 C ATOM 1438 NH1 ARG A 172 6.919 3.206 23.293 0.50 31.40 N ATOM 1439 NH2 ARG A 172 5.376 4.899 23.414 0.50 33.70 N ATOM 1440 N GLY A 173 5.002 -3.456 25.420 0.50 32.03 N ATOM 1441 CA GLY A 173 5.122 -4.809 24.888 1.00 37.72 C ATOM 1442 C GLY A 173 6.196 -5.533 25.684 1.00 39.08 C ATOM 1443 O GLY A 173 6.100 -5.620 26.902 1.00 41.71 O ATOM 1444 N GLY A 174 7.236 -6.016 25.008 1.00 43.72 N ATOM 1445 CA GLY A 174 8.380 -6.634 25.689 0.50 41.36 C ATOM 1446 C GLY A 174 9.425 -5.655 26.214 1.00 40.78 C ATOM 1447 O GLY A 174 10.270 -6.030 27.037 1.00 42.46 O ATOM 1448 N ARG A 175 9.356 -4.403 25.757 1.00 36.77 N ATOM 1449 CA ARG A 175 10.382 -3.388 26.029 1.00 33.78 C ATOM 1450 C ARG A 175 10.143 -2.631 27.343 1.00 30.60 C ATOM 1451 O ARG A 175 9.087 -2.030 27.527 1.00 30.17 O ATOM 1452 CB ARG A 175 10.426 -2.378 24.882 1.00 38.03 C ATOM 1453 CG ARG A 175 11.582 -1.389 24.950 0.50 39.01 C ATOM 1454 CD ARG A 175 11.554 -0.419 23.781 0.50 40.57 C ATOM 1455 NE ARG A 175 11.648 -1.106 22.497 0.50 41.39 N ATOM 1456 CZ ARG A 175 12.792 -1.418 21.898 0.50 40.14 C ATOM 1457 NH1 ARG A 175 13.947 -1.102 22.466 0.50 39.50 N ATOM 1458 NH2 ARG A 175 12.781 -2.045 20.731 0.50 40.74 N ATOM 1459 N PRO A 176 11.135 -2.637 28.250 1.00 27.41 N ATOM 1460 CA PRO A 176 10.995 -1.849 29.484 1.00 24.31 C ATOM 1461 C PRO A 176 10.775 -0.364 29.190 1.00 22.80 C ATOM 1462 O PRO A 176 11.412 0.194 28.282 1.00 26.30 O ATOM 1463 CB PRO A 176 12.336 -2.055 30.201 1.00 27.53 C ATOM 1464 CG PRO A 176 12.939 -3.270 29.592 1.00 28.53 C ATOM 1465 CD PRO A 176 12.412 -3.371 28.194 1.00 29.02 C ATOM 1466 N ARG A 177 9.854 0.251 29.926 1.00 21.79 N ATOM 1467 CA ARG A 177 9.633 1.688 29.860 1.00 22.50 C ATOM 1468 C ARG A 177 10.343 2.358 31.022 1.00 21.01 C ATOM 1469 O ARG A 177 10.406 1.810 32.119 1.00 25.66 O ATOM 1470 CB ARG A 177 8.142 2.016 29.920 1.00 25.33 C ATOM 1471 CG ARG A 177 7.344 1.474 28.750 0.50 24.48 C ATOM 1472 CD ARG A 177 5.856 1.766 28.896 0.50 26.53 C ATOM 1473 NE ARG A 177 5.521 3.150 28.566 0.50 28.42 N ATOM 1474 CZ ARG A 177 4.297 3.666 28.644 0.50 27.82 C ATOM 1475 NH1 ARG A 177 3.280 2.918 29.049 0.50 29.61 N ATOM 1476 NH2 ARG A 177 4.088 4.934 28.320 0.50 28.97 N ATOM 1477 N THR A 178 10.881 3.542 30.772 1.00 20.38 N ATOM 1478 CA THR A 178 11.438 4.370 31.816 1.00 19.60 C ATOM 1479 C THR A 178 10.426 5.450 32.159 1.00 19.04 C ATOM 1480 O THR A 178 9.920 6.133 31.276 1.00 23.51 O ATOM 1481 CB THR A 178 12.759 5.025 31.392 1.00 19.77 C ATOM 1482 OG1 THR A 178 13.695 4.008 31.024 1.00 21.68 O ATOM 1483 CG2 THR A 178 13.344 5.860 32.546 1.00 19.88 C ATOM 1484 N GLU A 179 10.122 5.591 33.444 1.00 17.88 N ATOM 1485 CA GLU A 179 9.317 6.705 33.888 1.00 17.69 C ATOM 1486 C GLU A 179 10.260 7.795 34.399 1.00 19.07 C ATOM 1487 O GLU A 179 11.149 7.546 35.218 1.00 18.48 O ATOM 1488 CB GLU A 179 8.300 6.260 34.938 1.00 17.33 C ATOM 1489 CG GLU A 179 7.409 5.141 34.406 1.00 20.87 C ATOM 1490 CD GLU A 179 6.257 4.759 35.310 1.00 23.01 C ATOM 1491 OE1 GLU A 179 5.894 5.534 36.210 1.00 26.94 O ATOM 1492 OE2 GLU A 179 5.701 3.667 35.099 1.00 27.21 O ATOM 1493 N ARG A 180 10.055 9.004 33.899 1.00 18.28 N ATOM 1494 CA ARG A 180 10.954 10.128 34.147 1.00 21.62 C ATOM 1495 C ARG A 180 11.029 10.504 35.615 1.00 19.48 C ATOM 1496 O ARG A 180 12.072 10.942 36.109 1.00 20.68 O ATOM 1497 CB ARG A 180 10.496 11.343 33.333 1.00 25.58 C ATOM 1498 CG ARG A 180 10.662 11.156 31.838 1.00 30.21 C ATOM 1499 CD ARG A 180 12.125 11.192 31.436 1.00 33.30 C ATOM 1500 NE ARG A 180 12.487 9.995 30.677 1.00 36.42 N ATOM 1501 CZ ARG A 180 13.494 9.169 30.965 1.00 33.83 C ATOM 1502 NH1 ARG A 180 14.306 9.395 31.996 1.00 34.58 N ATOM 1503 NH2 ARG A 180 13.709 8.113 30.188 1.00 34.74 N ATOM 1504 N TRP A 181 9.925 10.319 36.317 1.00 17.42 N ATOM 1505 CA TRP A 181 9.869 10.691 37.718 1.00 17.19 C ATOM 1506 C TRP A 181 10.834 9.871 38.577 1.00 15.44 C ATOM 1507 O TRP A 181 11.207 10.333 39.658 1.00 17.24 O ATOM 1508 CB TRP A 181 8.429 10.632 38.250 1.00 18.34 C ATOM 1509 CG TRP A 181 7.886 9.272 38.438 1.00 17.48 C ATOM 1510 CD1 TRP A 181 7.210 8.522 37.523 1.00 18.04 C ATOM 1511 CD2 TRP A 181 7.948 8.491 39.634 1.00 16.30 C ATOM 1512 NE1 TRP A 181 6.862 7.312 38.064 1.00 17.42 N ATOM 1513 CE2 TRP A 181 7.303 7.266 39.363 1.00 17.09 C ATOM 1514 CE3 TRP A 181 8.500 8.701 40.903 1.00 15.92 C ATOM 1515 CZ2 TRP A 181 7.190 6.258 40.313 1.00 17.29 C ATOM 1516 CZ3 TRP A 181 8.387 7.708 41.848 1.00 14.63 C ATOM 1517 CH2 TRP A 181 7.736 6.488 41.545 1.00 15.55 C ATOM 1518 N TRP A 182 11.258 8.685 38.105 1.00 13.74 N ATOM 1519 CA TRP A 182 12.245 7.875 38.860 1.00 13.28 C ATOM 1520 C TRP A 182 13.613 8.545 38.973 1.00 11.40 C ATOM 1521 O TRP A 182 14.418 8.191 39.840 1.00 12.32 O ATOM 1522 CB TRP A 182 12.516 6.510 38.231 1.00 13.30 C ATOM 1523 CG TRP A 182 11.376 5.620 38.008 1.00 12.76 C ATOM 1524 CD1 TRP A 182 10.184 5.605 38.666 1.00 12.30 C ATOM 1525 CD2 TRP A 182 11.324 4.561 37.056 1.00 11.96 C ATOM 1526 NE1 TRP A 182 9.388 4.600 38.180 1.00 12.36 N ATOM 1527 CE2 TRP A 182 10.061 3.945 37.185 1.00 12.39 C ATOM 1528 CE3 TRP A 182 12.226 4.070 36.108 1.00 12.46 C ATOM 1529 CZ2 TRP A 182 9.677 2.867 36.397 1.00 13.03 C ATOM 1530 CZ3 TRP A 182 11.842 3.005 35.319 1.00 13.41 C ATOM 1531 CH2 TRP A 182 10.577 2.417 35.461 1.00 13.03 C ATOM 1532 N ALA A 183 13.895 9.475 38.073 1.00 11.55 N ATOM 1533 CA ALA A 183 15.223 10.047 37.956 1.00 12.64 C ATOM 1534 C ALA A 183 15.566 11.007 39.090 1.00 13.87 C ATOM 1535 O ALA A 183 14.779 11.890 39.420 1.00 16.24 O ATOM 1536 CB ALA A 183 15.350 10.776 36.631 1.00 13.27 C ATOM 1537 N LEU A 184 16.748 10.836 39.673 1.00 12.53 N ATOM 1538 CA LEU A 184 17.283 11.839 40.595 1.00 12.18 C ATOM 1539 C LEU A 184 17.454 13.150 39.861 1.00 14.08 C ATOM 1540 O LEU A 184 17.934 13.182 38.719 1.00 14.00 O ATOM 1541 CB LEU A 184 18.631 11.414 41.161 1.00 11.91 C ATOM 1542 CG LEU A 184 18.610 10.242 42.123 1.00 13.00 C ATOM 1543 CD1 LEU A 184 20.031 9.858 42.469 1.00 12.29 C ATOM 1544 CD2 LEU A 184 17.838 10.609 43.381 0.50 10.61 C ATOM 1545 N ARG A 185 17.047 14.228 40.507 1.00 16.02 N ATOM 1546 CA ARG A 185 17.207 15.547 39.935 1.00 17.06 C ATOM 1547 C ARG A 185 17.913 16.446 40.934 1.00 16.23 C ATOM 1548 O ARG A 185 17.855 16.207 42.150 1.00 15.80 O ATOM 1549 CB ARG A 185 15.851 16.106 39.514 1.00 20.14 C ATOM 1550 CG ARG A 185 15.286 15.389 38.293 1.00 23.01 C ATOM 1551 CD ARG A 185 13.924 15.912 37.879 1.00 25.88 C ATOM 1552 NE ARG A 185 13.456 15.251 36.660 1.00 31.81 N ATOM 1553 CZ ARG A 185 12.911 14.035 36.605 0.50 30.26 C ATOM 1554 NH1 ARG A 185 12.732 13.302 37.705 1.00 33.40 N ATOM 1555 NH2 ARG A 185 12.539 13.544 35.431 1.00 29.09 N ATOM 1556 N PRO A 186 18.601 17.472 40.425 1.00 17.93 N ATOM 1557 CA PRO A 186 19.293 18.424 41.268 1.00 17.68 C ATOM 1558 C PRO A 186 18.332 19.152 42.189 1.00 17.63 C ATOM 1559 O PRO A 186 17.240 19.546 41.768 1.00 18.30 O ATOM 1560 CB PRO A 186 19.914 19.413 40.272 1.00 18.46 C ATOM 1561 CG PRO A 186 19.857 18.766 38.955 1.00 21.70 C ATOM 1562 CD PRO A 186 18.734 17.793 38.991 1.00 18.26 C ATOM 1563 N VAL A 187 18.737 19.305 43.441 1.00 15.60 N ATOM 1564 CA VAL A 187 18.007 20.131 44.387 1.00 17.22 C ATOM 1565 C VAL A 187 18.496 21.546 44.153 1.00 20.47 C ATOM 1566 O VAL A 187 19.670 21.842 44.375 1.00 23.34 O ATOM 1567 CB VAL A 187 18.293 19.700 45.833 1.00 17.61 C ATOM 1568 CG1 VAL A 187 17.640 20.653 46.830 0.50 14.92 C ATOM 1569 CG2 VAL A 187 17.831 18.268 46.060 1.00 16.33 C ATOM 1570 N GLU A 188 17.609 22.415 43.684 1.00 24.37 N ATOM 1571 CA GLU A 188 18.016 23.776 43.372 1.00 26.83 C ATOM 1572 C GLU A 188 18.296 24.492 44.694 1.00 28.49 C ATOM 1573 O GLU A 188 17.582 24.292 45.685 1.00 32.09 O ATOM 1574 CB AGLU A 188 16.946 24.515 42.560 0.50 29.44 C ATOM 1575 CG AGLU A 188 16.550 23.846 41.247 0.50 31.02 C ATOM 1576 CD AGLU A 188 17.655 23.849 40.206 0.50 33.21 C ATOM 1577 OE1AGLU A 188 18.432 24.826 40.148 0.50 37.72 O ATOM 1578 OE2AGLU A 188 17.738 22.873 39.431 0.50 35.92 O ATOM 1579 CB BGLU A 188 16.949 24.511 42.539 0.25 27.40 C ATOM 1580 CG BGLU A 188 15.668 24.921 43.267 0.25 27.17 C ATOM 1581 CD BGLU A 188 14.663 23.793 43.401 0.50 25.29 C ATOM 1582 OE1BGLU A 188 14.970 22.656 42.984 0.50 21.48 O ATOM 1583 OE2BGLU A 188 13.556 24.047 43.921 0.50 25.58 O ATOM 1584 N ARG A 189 19.369 25.272 44.722 1.00 30.42 N ATOM 1585 CA ARG A 189 19.708 26.071 45.894 1.00 31.55 C ATOM 1586 C ARG A 189 19.902 27.507 45.438 1.00 32.45 C ATOM 1587 O ARG A 189 20.502 27.746 44.391 1.00 31.13 O ATOM 1588 CB AARG A 189 20.977 25.548 46.586 0.50 32.84 C ATOM 1589 CG AARG A 189 20.914 25.554 48.113 0.50 32.57 C ATOM 1590 CD AARG A 189 22.247 25.941 48.735 0.50 31.10 C ATOM 1591 NE AARG A 189 23.301 25.966 47.728 0.50 29.85 N ATOM 1592 CZ AARG A 189 23.922 24.883 47.276 0.50 26.93 C ATOM 1593 NH1AARG A 189 23.598 23.689 47.764 0.50 19.37 N ATOM 1594 NH2AARG A 189 24.858 24.997 46.336 0.50 26.39 N ATOM 1595 CB BARG A 189 20.996 25.545 46.540 0.50 32.74 C ATOM 1596 CG BARG A 189 21.328 26.150 47.896 0.50 32.00 C ATOM 1597 CD BARG A 189 20.254 25.807 48.909 0.50 32.39 C ATOM 1598 NE BARG A 189 19.744 24.462 48.677 0.50 29.83 N ATOM 1599 CZ BARG A 189 18.549 24.037 49.063 0.50 26.34 C ATOM 1600 NH1BARG A 189 17.727 24.852 49.715 0.50 29.58 N ATOM 1601 NH2BARG A 189 18.186 22.791 48.806 0.50 15.21 N ATOM 1602 N ARG A 190 19.384 28.456 46.214 1.00 32.18 N ATOM 1603 CA ARG A 190 19.631 29.869 45.953 1.00 33.47 C ATOM 1604 C ARG A 190 21.112 30.180 46.184 1.00 30.20 C ATOM 1605 O ARG A 190 21.773 29.507 46.970 1.00 28.55 O ATOM 1606 CB ARG A 190 18.761 30.739 46.866 1.00 35.81 C ATOM 1607 N LEU A 191 21.637 31.184 45.488 1.00 27.60 N ATOM 1608 CA LEU A 191 22.986 31.675 45.775 1.00 29.26 C ATOM 1609 C LEU A 191 23.014 32.272 47.184 1.00 32.40 C ATOM 1610 O LEU A 191 21.992 32.756 47.680 1.00 34.91 O ATOM 1611 CB LEU A 191 23.416 32.726 44.755 1.00 30.81 C ATOM 1612 CG LEU A 191 23.491 32.258 43.301 1.00 30.66 C ATOM 1613 CD1 LEU A 191 23.742 33.452 42.401 1.00 31.67 C ATOM 1614 CD2 LEU A 191 24.565 31.197 43.102 1.00 31.35 C ATOM 1615 N SER A 192 24.182 32.240 47.818 1.00 35.85 N ATOM 1616 CA SER A 192 24.305 32.603 49.234 1.00 40.02 C ATOM 1617 C SER A 192 23.853 34.034 49.546 1.00 45.25 C ATOM 1618 O SER A 192 24.101 34.966 48.781 1.00 49.07 O ATOM 1619 CB SER A 192 25.745 32.398 49.710 1.00 44.39 C ATOM 1620 OG SER A 192 26.631 33.265 49.032 1.00 44.64 O TER 1621 SER A 192 HETATM 1622 P PO4 A1193 25.402 21.447 45.527 1.00 23.87 P HETATM 1623 O1 PO4 A1193 26.132 20.987 46.766 1.00 22.95 O HETATM 1624 O2 PO4 A1193 26.013 22.718 44.981 1.00 23.41 O HETATM 1625 O3 PO4 A1193 23.952 21.723 45.863 1.00 25.20 O HETATM 1626 O4 PO4 A1193 25.485 20.379 44.434 1.00 21.65 O HETATM 1627 K K A1194 13.719 9.893 57.201 0.50 15.11 K HETATM 1628 K K A1195 4.207 2.767 47.932 0.50 15.47 K HETATM 1629 K K A1196 1.946 15.615 59.151 0.50 16.88 K HETATM 1630 K K A1197 16.490 3.789 44.878 0.50 13.39 K HETATM 1631 K K A1198 9.429 15.180 57.441 0.50 16.04 K HETATM 1632 O HOH A2001 37.609 11.667 49.841 1.00 36.24 O HETATM 1633 O HOH A2002 36.934 7.130 48.236 1.00 44.67 O HETATM 1634 O HOH A2003 25.079 6.631 51.897 1.00 42.51 O HETATM 1635 O HOH A2004 28.988 7.245 49.161 1.00 35.71 O HETATM 1636 O HOH A2005 30.260 1.801 39.058 1.00 33.45 O HETATM 1637 O HOH A2006 30.845 2.568 43.145 1.00 44.42 O HETATM 1638 O HOH A2007 33.958 3.029 45.171 1.00 44.44 O HETATM 1639 O HOH A2008 19.133 -7.638 32.687 1.00 44.94 O HETATM 1640 O HOH A2009 15.189 -5.170 31.288 1.00 26.00 O HETATM 1641 O HOH A2010 25.694 4.091 48.618 1.00 26.47 O HETATM 1642 O HOH A2011 26.282 7.144 49.575 1.00 35.56 O HETATM 1643 O HOH A2012 16.176 -4.290 27.217 1.00 41.86 O HETATM 1644 O HOH A2013 22.765 7.308 34.327 1.00 23.79 O HETATM 1645 O HOH A2014 28.874 5.873 41.065 1.00 22.01 O HETATM 1646 O HOH A2015 25.401 1.074 44.901 1.00 25.35 O HETATM 1647 O HOH A2016 23.132 1.529 43.326 1.00 21.08 O HETATM 1648 O HOH A2017 28.236 -0.050 37.858 1.00 38.61 O HETATM 1649 O HOH A2018 22.726 8.420 52.384 1.00 25.72 O HETATM 1650 O HOH A2019 23.254 2.588 51.294 1.00 24.85 O HETATM 1651 O HOH A2020 28.402 4.037 39.148 1.00 25.66 O HETATM 1652 O HOH A2021 25.427 -3.308 36.923 1.00 25.90 O HETATM 1653 O HOH A2022 21.297 -6.072 32.360 1.00 40.04 O HETATM 1654 O HOH A2023 27.042 -0.359 33.204 1.00 44.62 O HETATM 1655 O HOH A2024 0.223 16.449 50.439 1.00 34.61 O HETATM 1656 O HOH A2025 15.645 -2.482 31.464 1.00 21.90 O HETATM 1657 O HOH A2026 17.587 -6.708 30.280 1.00 49.14 O HETATM 1658 O HOH A2027 16.218 -1.965 28.824 1.00 23.51 O HETATM 1659 O HOH A2028 21.704 3.957 28.712 1.00 37.77 O HETATM 1660 O HOH A2029 15.283 -0.654 24.914 1.00 36.84 O HETATM 1661 O HOH A2030 10.897 4.543 28.155 1.00 31.06 O HETATM 1662 O HOH A2031 15.021 25.844 53.061 1.00 36.62 O HETATM 1663 O HOH A2032 11.106 20.744 60.477 1.00 36.17 O HETATM 1664 O HOH A2033 23.012 20.904 50.519 1.00 30.00 O HETATM 1665 O HOH A2034 24.456 10.165 53.789 1.00 34.28 O HETATM 1666 O HOH A2035 20.014 6.568 34.507 1.00 20.28 O HETATM 1667 O HOH A2036 28.457 2.580 34.737 1.00 42.22 O HETATM 1668 O HOH A2037 25.426 6.944 33.924 1.00 35.46 O HETATM 1669 O HOH A2038 24.106 2.483 46.956 1.00 20.58 O HETATM 1670 O HOH A2039 -0.968 2.648 47.569 1.00 23.05 O HETATM 1671 O HOH A2040 21.702 8.497 49.742 1.00 13.46 O HETATM 1672 O HOH A2041 23.741 4.984 50.153 1.00 22.67 O HETATM 1673 O HOH A2042 18.511 3.418 52.199 1.00 20.23 O HETATM 1674 O HOH A2043 19.958 4.997 52.978 1.00 35.01 O HETATM 1675 O HOH A2044 11.113 7.041 56.300 1.00 27.01 O HETATM 1676 O HOH A2045 10.980 9.778 57.366 1.00 14.82 O HETATM 1677 O HOH A2046 4.546 9.108 53.179 1.00 24.99 O HETATM 1678 O HOH A2047 8.746 5.748 55.994 1.00 35.42 O HETATM 1679 O HOH A2048 9.709 7.510 52.948 1.00 13.73 O HETATM 1680 O HOH A2049 6.775 7.364 56.776 1.00 29.58 O HETATM 1681 O HOH A2050 7.613 9.308 58.905 0.50 22.64 O HETATM 1682 O HOH A2051 4.032 11.514 54.649 1.00 17.00 O HETATM 1683 O HOH A2052 4.300 18.504 52.767 1.00 17.45 O HETATM 1684 O HOH A2053 -2.653 18.016 55.758 1.00 43.89 O HETATM 1685 O HOH A2054 -1.638 8.035 53.135 1.00 38.98 O HETATM 1686 O HOH A2055 -2.677 12.119 55.821 1.00 20.05 O HETATM 1687 O HOH A2056 2.875 7.138 53.691 1.00 20.44 O HETATM 1688 O HOH A2057 3.559 9.741 56.717 1.00 35.54 O HETATM 1689 O HOH A2058 4.836 0.134 38.028 1.00 19.52 O HETATM 1690 O HOH A2059 1.701 24.766 56.446 1.00 36.89 O HETATM 1691 O HOH A2060 0.357 23.216 51.320 1.00 33.78 O HETATM 1692 O HOH A2061 0.766 19.200 50.139 1.00 30.49 O HETATM 1693 O HOH A2062 2.985 25.970 53.319 1.00 38.42 O HETATM 1694 O HOH A2063 -7.784 -17.536 54.105 1.00 38.68 O HETATM 1695 O HOH A2064 3.817 25.345 50.864 1.00 27.90 O HETATM 1696 O HOH A2065 2.035 19.270 47.379 1.00 30.42 O HETATM 1697 O HOH A2066 1.717 -2.976 62.243 1.00 24.34 O HETATM 1698 O HOH A2067 11.694 17.580 41.252 1.00 44.84 O HETATM 1699 O HOH A2068 11.935 25.072 49.207 1.00 26.81 O HETATM 1700 O HOH A2069 16.608 -7.626 36.651 1.00 36.93 O HETATM 1701 O HOH A2070 8.525 17.815 57.219 1.00 14.13 O HETATM 1702 O HOH A2071 28.360 -8.599 45.544 1.00 40.31 O HETATM 1703 O HOH A2072 16.385 24.416 54.465 1.00 23.66 O HETATM 1704 O HOH A2073 9.910 20.204 57.495 1.00 32.18 O HETATM 1705 O HOH A2074 23.085 21.666 52.487 1.00 39.61 O HETATM 1706 O HOH A2075 22.507 20.936 58.057 1.00 27.19 O HETATM 1707 O HOH A2076 21.733 13.638 56.529 1.00 27.37 O HETATM 1708 O HOH A2077 24.078 13.631 54.088 1.00 40.69 O HETATM 1709 O HOH A2078 20.691 20.828 49.040 1.00 25.09 O HETATM 1710 O HOH A2079 27.100 15.594 47.515 1.00 20.96 O HETATM 1711 O HOH A2080 10.883 12.714 41.233 1.00 25.02 O HETATM 1712 O HOH A2081 5.167 8.409 42.443 1.00 21.35 O HETATM 1713 O HOH A2082 0.640 12.236 48.106 1.00 27.95 O HETATM 1714 O HOH A2083 -1.693 4.339 45.338 1.00 39.94 O HETATM 1715 O HOH A2084 1.517 3.882 47.773 1.00 13.14 O HETATM 1716 O HOH A2085 -6.404 6.014 48.689 1.00 31.55 O HETATM 1717 O HOH A2086 -5.090 1.605 44.393 1.00 35.20 O HETATM 1718 O HOH A2087 -0.426 5.279 53.397 1.00 16.82 O HETATM 1719 O HOH A2088 16.749 -8.314 34.112 1.00 40.73 O HETATM 1720 O HOH A2089 3.037 -1.866 34.968 1.00 32.43 O HETATM 1721 O HOH A2090 2.506 0.860 34.476 1.00 31.93 O HETATM 1722 O HOH A2091 24.154 9.897 49.019 1.00 15.49 O HETATM 1723 O HOH A2092 28.522 11.615 41.356 1.00 30.67 O HETATM 1724 O HOH A2093 23.449 10.122 35.119 1.00 29.59 O HETATM 1725 O HOH A2094 17.265 9.482 33.415 1.00 25.17 O HETATM 1726 O HOH A2095 26.889 7.104 36.346 1.00 33.26 O HETATM 1727 O HOH A2096 7.337 0.939 38.573 1.00 18.57 O HETATM 1728 O HOH A2097 5.014 0.087 47.817 1.00 11.41 O HETATM 1729 O HOH A2098 7.501 3.967 48.989 1.00 19.53 O HETATM 1730 O HOH A2099 3.814 5.915 37.666 1.00 26.02 O HETATM 1731 O HOH A2100 2.212 4.054 37.511 1.00 25.62 O HETATM 1732 O HOH A2101 3.656 7.327 40.062 1.00 28.25 O HETATM 1733 O HOH A2102 -0.642 4.312 37.018 1.00 39.77 O HETATM 1734 O HOH A2103 2.993 -3.725 39.208 1.00 17.44 O HETATM 1735 O HOH A2104 0.381 -2.226 47.869 1.00 17.10 O HETATM 1736 O HOH A2105 -3.008 0.583 42.881 1.00 29.19 O HETATM 1737 O HOH A2106 -1.551 -0.223 46.933 1.00 24.79 O HETATM 1738 O HOH A2107 -2.468 -7.294 41.334 1.00 48.40 O HETATM 1739 O HOH A2108 4.562 -8.203 38.638 1.00 26.05 O HETATM 1740 O HOH A2109 2.889 -8.710 44.116 1.00 24.48 O HETATM 1741 O HOH A2110 1.968 -14.750 51.385 1.00 37.08 O HETATM 1742 O HOH A2111 -2.208 -16.229 53.051 1.00 45.63 O HETATM 1743 O HOH A2112 0.600 -10.600 57.218 1.00 27.06 O HETATM 1744 O HOH A2113 -8.942 -14.287 48.564 1.00 42.39 O HETATM 1745 O HOH A2114 -8.542 -16.929 51.376 1.00 32.62 O HETATM 1746 O HOH A2115 -7.405 -12.897 46.569 1.00 33.22 O HETATM 1747 O HOH A2116 2.020 -11.829 41.963 1.00 38.79 O HETATM 1748 O HOH A2117 -5.210 -3.989 52.610 1.00 40.70 O HETATM 1749 O HOH A2118 2.679 -0.884 48.935 1.00 13.75 O HETATM 1750 O HOH A2119 0.281 -0.573 57.437 1.00 26.87 O HETATM 1751 O HOH A2120 1.027 -4.824 59.986 1.00 25.87 O HETATM 1752 O HOH A2121 15.270 -9.833 40.524 1.00 20.50 O HETATM 1753 O HOH A2122 18.248 -9.449 38.069 1.00 31.57 O HETATM 1754 O HOH A2123 22.292 -11.120 41.719 1.00 32.95 O HETATM 1755 O HOH A2124 23.272 -5.205 38.498 1.00 36.10 O HETATM 1756 O HOH A2125 28.504 -8.797 42.420 1.00 41.65 O HETATM 1757 O HOH A2126 24.588 -13.332 43.436 1.00 33.01 O HETATM 1758 O HOH A2127 26.339 -10.702 45.948 1.00 27.41 O HETATM 1759 O HOH A2128 26.446 -1.586 45.420 1.00 33.67 O HETATM 1760 O HOH A2129 6.692 4.630 57.032 1.00 23.86 O HETATM 1761 O HOH A2130 4.067 -3.051 63.986 1.00 28.59 O HETATM 1762 O HOH A2131 -0.830 1.778 56.420 1.00 18.30 O HETATM 1763 O HOH A2132 4.005 6.944 57.267 1.00 23.48 O HETATM 1764 O HOH A2133 -2.902 3.602 49.550 1.00 37.41 O HETATM 1765 O HOH A2134 -3.256 0.299 52.212 1.00 28.98 O HETATM 1766 O HOH A2135 9.103 6.476 50.403 1.00 13.78 O HETATM 1767 O HOH A2136 9.746 5.138 58.392 1.00 33.60 O HETATM 1768 O HOH A2137 14.792 -0.272 56.926 1.00 23.33 O HETATM 1769 O HOH A2138 18.703 -1.468 55.452 1.00 25.17 O HETATM 1770 O HOH A2139 21.928 6.297 53.909 1.00 42.30 O HETATM 1771 O HOH A2140 21.476 7.244 56.735 1.00 31.79 O HETATM 1772 O HOH A2141 22.192 5.079 58.753 1.00 31.12 O HETATM 1773 O HOH A2142 20.940 2.561 52.636 1.00 36.35 O HETATM 1774 O HOH A2143 18.237 -0.716 46.292 1.00 20.66 O HETATM 1775 O HOH A2144 25.704 -0.684 49.922 1.00 20.66 O HETATM 1776 O HOH A2145 23.312 0.810 49.156 1.00 17.33 O HETATM 1777 O HOH A2146 23.053 -13.798 54.895 1.00 33.77 O HETATM 1778 O HOH A2147 22.999 -8.969 61.606 1.00 18.98 O HETATM 1779 O HOH A2148 18.077 -4.408 58.466 1.00 34.26 O HETATM 1780 O HOH A2149 21.546 1.297 54.985 1.00 35.89 O HETATM 1781 O HOH A2150 14.143 -12.987 61.008 1.00 38.47 O HETATM 1782 O HOH A2151 21.714 -6.604 59.572 1.00 36.02 O HETATM 1783 O HOH A2152 16.444 -0.805 59.813 1.00 23.99 O HETATM 1784 O HOH A2153 17.106 -1.843 57.453 1.00 39.70 O HETATM 1785 O HOH A2154 8.152 -11.244 62.272 1.00 44.66 O HETATM 1786 O HOH A2155 8.633 -5.224 67.230 1.00 27.37 O HETATM 1787 O HOH A2156 5.693 -9.776 60.620 1.00 24.50 O HETATM 1788 O HOH A2157 3.957 -9.471 63.517 1.00 33.61 O HETATM 1789 O HOH A2158 1.526 -7.477 60.309 1.00 33.19 O HETATM 1790 O HOH A2159 3.941 -11.603 57.367 1.00 26.47 O HETATM 1791 O HOH A2160 2.603 -9.887 60.287 1.00 42.37 O HETATM 1792 O HOH A2161 -0.191 -8.019 57.996 1.00 22.74 O HETATM 1793 O HOH A2162 -0.726 -3.381 57.598 1.00 30.64 O HETATM 1794 O HOH A2163 16.399 -12.497 38.766 1.00 37.95 O HETATM 1795 O HOH A2164 15.383 -17.408 42.901 1.00 35.66 O HETATM 1796 O HOH A2165 9.051 -19.241 45.157 1.00 46.18 O HETATM 1797 O HOH A2166 10.087 -17.790 52.816 1.00 34.88 O HETATM 1798 O HOH A2167 7.886 -19.486 52.173 1.00 48.77 O HETATM 1799 O HOH A2168 6.059 -12.705 55.963 1.00 24.90 O HETATM 1800 O HOH A2169 3.777 -17.659 52.039 1.00 35.63 O HETATM 1801 O HOH A2170 5.226 -12.046 38.912 1.00 34.84 O HETATM 1802 O HOH A2171 14.693 -9.749 37.489 1.00 25.45 O HETATM 1803 O HOH A2172 8.589 -10.913 33.905 1.00 44.66 O HETATM 1804 O HOH A2173 14.659 -6.780 33.490 1.00 30.56 O HETATM 1805 O HOH A2174 4.588 -2.501 37.170 1.00 19.74 O HETATM 1806 O HOH A2175 3.605 -2.001 32.324 1.00 30.97 O HETATM 1807 O HOH A2176 5.955 3.288 31.887 1.00 46.51 O HETATM 1808 O HOH A2177 3.570 1.168 31.661 1.00 38.53 O HETATM 1809 O HOH A2178 6.816 3.637 38.384 1.00 17.17 O HETATM 1810 O HOH A2179 3.877 2.211 36.330 1.00 22.82 O HETATM 1811 O HOH A2180 7.958 9.234 31.951 1.00 30.07 O HETATM 1812 O HOH A2181 7.287 10.575 34.829 1.00 30.71 O HETATM 1813 O HOH A2182 15.446 11.566 33.385 1.00 43.03 O HETATM 1814 O HOH A2183 21.355 21.331 46.362 1.00 26.82 O HETATM 1815 O HOH A2184 17.764 21.961 36.482 1.00 36.60 O HETATM 1816 O HOH A2185 24.389 28.619 47.514 1.00 32.92 O HETATM 1817 O HOH A2186 14.506 25.804 50.437 1.00 43.64 O HETATM 1818 O HOH A2187 26.997 35.806 49.006 1.00 45.16 O HETATM 1819 O HOH A2188 28.758 31.764 50.058 1.00 30.72 O HETATM 1820 O HOH A2189 -3.044 8.354 38.823 1.00 35.72 O CONECT 132 1630 CONECT 166 1627 CONECT 184 1627 CONECT 189 1631 CONECT 205 1629 CONECT 423 1628 CONECT 586 1630 CONECT 595 1630 CONECT 627 1628 CONECT 949 1628 CONECT 1008 1630 CONECT 1009 1630 CONECT 1622 1623 1624 1625 1626 CONECT 1623 1622 CONECT 1624 1622 CONECT 1625 1622 CONECT 1626 1622 CONECT 1627 166 184 1676 CONECT 1628 423 627 949 1715 CONECT 1628 1728 CONECT 1629 205 CONECT 1630 132 586 595 1008 CONECT 1630 1009 CONECT 1631 189 1701 CONECT 1676 1627 CONECT 1701 1631 CONECT 1715 1628 CONECT 1728 1628 MASTER 374 0 6 7 16 0 12 6 1819 1 28 15 END