HEADER OXIDOREDUCTASE 28-JAN-09 2W9T TITLE STAPHYLOCOCCUS AUREUS S1:DHFR COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 1; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: DEHYDROFOLATE REDUCTASE; COMPND 5 EC: 1.5.1.3; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: EXOGENOUS DRUG-RESISTANT VARIANT SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PDEST; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDEST14 KEYWDS ANTIBIOTIC RESISTANCE, STAPHYLOCOCCUS AUREUS, DHFR, NADP, KEYWDS 2 PLASMID, TRIMETHOPRIM, OXIDOREDUCTASE, TRIMETHOPRIM KEYWDS 3 RESISTANCE, ONE-CARBON METABOLISM, METHOTREXATE RESISTANCE EXPDTA X-RAY DIFFRACTION AUTHOR H.H.SOUTTER,J.R.MILLER REVDAT 2 29-SEP-09 2W9T 1 JRNL REVDAT 1 24-MAR-09 2W9T 0 JRNL AUTH H.HEASLET,M.HARRIS,K.FAHNOE,R.SARVER,H.PUTZ, JRNL AUTH 2 J.CHANG,C.SUBRAMANYAM,G.BARREIRO,J.R.MILLER JRNL TITL STRUCTURAL COMPARISON OF CHROMOSOMAL AND EXOGENOUS JRNL TITL 2 DIHYDROFOLATE REDUCTASE FROM STAPHYLOCOCCUS AUREUS JRNL TITL 3 IN COMPLEX WITH THE POTENT INHIBITOR TRIMETHOPRIM. JRNL REF PROTEINS V. 76 706 2009 JRNL REFN ISSN 0887-3585 JRNL PMID 19280600 JRNL DOI 10.1002/PROT.22383 REMARK 2 REMARK 2 RESOLUTION. 2.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 71.61 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 3 NUMBER OF REFLECTIONS : 16136 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) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.175 REMARK 3 FREE R VALUE : 0.246 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 861 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.35 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.41 REMARK 3 REFLECTION IN BIN (WORKING SET) : 840 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 70.23 REMARK 3 BIN R VALUE (WORKING SET) : 0.2610 REMARK 3 BIN FREE R VALUE SET COUNT : 40 REMARK 3 BIN FREE R VALUE : 0.4570 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2608 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 136 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.68000 REMARK 3 B22 (A**2) : -1.23000 REMARK 3 B33 (A**2) : 0.55000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.11000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.308 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.245 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.171 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.206 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.951 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.923 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2674 ; 0.025 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3634 ; 2.400 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 324 ;10.173 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 138 ;38.818 ;24.638 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 458 ;18.775 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;24.736 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 402 ; 0.206 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2060 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1079 ; 0.264 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1758 ; 0.322 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 141 ; 0.200 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 67 ; 0.354 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 6 ; 0.157 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1669 ; 2.833 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2623 ; 4.065 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1148 ; 6.522 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1011 ; 8.665 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL 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. REMARK 4 REMARK 4 2W9T COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-JAN-09. REMARK 100 THE PDBE ID CODE IS EBI-38674. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JUN-07 REMARK 200 TEMPERATURE (KELVIN) : 273 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 17-BM REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1 REMARK 200 MONOCHROMATOR : SI REMARK 200 OPTICS : SI REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17017 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.40 REMARK 200 RESOLUTION RANGE LOW (A) : 50.00 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 3.7 REMARK 200 R MERGE (I) : 0.10 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.00 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.6 REMARK 200 R MERGE FOR SHELL (I) : 0.49 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.50 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.59 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.73 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.1 M MALIC ACID PH 7.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z 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 35.81850 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 GENERATING THE BIOMOLECULE 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: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 ENGINEERED RESIDUE IN CHAIN A, ASN 49 TO GLU REMARK 400 ENGINEERED RESIDUE IN CHAIN A, ASN 131 TO ASP REMARK 400 ENGINEERED RESIDUE IN CHAIN B, ASN 49 TO GLU REMARK 400 ENGINEERED RESIDUE IN CHAIN B, ASN 131 TO ASP REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 0 REMARK 465 LYS A 160 REMARK 465 MET B 0 REMARK 465 LYS B 160 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 B 116 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NE2 GLN A 17 - CG2 THR A 121 2.10 REMARK 500 NE2 GLN B 17 - CG2 THR B 121 2.00 REMARK 500 NH1 ARG B 44 - OE1 GLU B 48 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 VAL B 105 CB VAL B 105 CG1 0.144 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 152 CB - CG - CD1 ANGL. DEV. = -14.2 DEGREES REMARK 500 ARG A 156 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG B 156 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN A 17 137.39 -34.78 REMARK 500 ASN A 18 -5.27 75.60 REMARK 500 ASP B 120 5.81 -159.58 REMARK 500 ASP B 142 -168.25 -166.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLY A 93 GLY A 94 -48.74 REMARK 500 GLY B 115 ALA B 116 -147.88 REMARK 500 GLY B 119 ASP B 120 -142.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASN A 18 24.7 L L OUTSIDE RANGE REMARK 500 GLN A 95 23.4 L L OUTSIDE RANGE REMARK 500 MET B 42 23.6 L L OUTSIDE RANGE REMARK 500 LYS B 83 24.6 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2W9S RELATED DB: PDB REMARK 900 STAPHYLOCOCCUS AUREUS S1:DHFR IN COMPLEX REMARK 900 WITH TRIMETHOPRIM DBREF 2W9T A 0 160 UNP P13955 DYRA_STAAU 1 161 DBREF 2W9T B 0 160 UNP P13955 DYRA_STAAU 1 161 SEQADV 2W9T GLU A 48 UNP P13955 ASN 49 ENGINEERED MUTATION SEQADV 2W9T ASP A 130 UNP P13955 ASN 131 ENGINEERED MUTATION SEQADV 2W9T GLU B 48 UNP P13955 ASN 49 ENGINEERED MUTATION SEQADV 2W9T ASP B 130 UNP P13955 ASN 131 ENGINEERED MUTATION SEQRES 1 A 161 MET THR LEU SER ILE ILE VAL ALA HIS ASP LYS GLN ARG SEQRES 2 A 161 VAL ILE GLY TYR GLN ASN GLN LEU PRO TRP HIS LEU PRO SEQRES 3 A 161 ASN ASP LEU LYS HIS ILE LYS GLN LEU THR THR GLY ASN SEQRES 4 A 161 THR LEU VAL MET ALA ARG LYS THR PHE GLU SER ILE GLY SEQRES 5 A 161 LYS PRO LEU PRO ASN ARG ARG ASN VAL VAL LEU THR ASN SEQRES 6 A 161 GLN ALA SER PHE HIS HIS GLU GLY VAL ASP VAL ILE ASN SEQRES 7 A 161 SER LEU ASP GLU ILE LYS GLU LEU SER GLY HIS VAL PHE SEQRES 8 A 161 ILE PHE GLY GLY GLN THR LEU TYR GLU ALA MET ILE ASP SEQRES 9 A 161 GLN VAL ASP ASP MET TYR ILE THR VAL ILE ASP GLY LYS SEQRES 10 A 161 PHE GLN GLY ASP THR PHE PHE PRO PRO TYR THR PHE GLU SEQRES 11 A 161 ASP TRP GLU VAL GLU SER SER VAL GLU GLY GLN LEU ASP SEQRES 12 A 161 GLU LYS ASN THR ILE PRO HIS THR PHE LEU HIS LEU VAL SEQRES 13 A 161 ARG ARG LYS GLY LYS SEQRES 1 B 161 MET THR LEU SER ILE ILE VAL ALA HIS ASP LYS GLN ARG SEQRES 2 B 161 VAL ILE GLY TYR GLN ASN GLN LEU PRO TRP HIS LEU PRO SEQRES 3 B 161 ASN ASP LEU LYS HIS ILE LYS GLN LEU THR THR GLY ASN SEQRES 4 B 161 THR LEU VAL MET ALA ARG LYS THR PHE GLU SER ILE GLY SEQRES 5 B 161 LYS PRO LEU PRO ASN ARG ARG ASN VAL VAL LEU THR ASN SEQRES 6 B 161 GLN ALA SER PHE HIS HIS GLU GLY VAL ASP VAL ILE ASN SEQRES 7 B 161 SER LEU ASP GLU ILE LYS GLU LEU SER GLY HIS VAL PHE SEQRES 8 B 161 ILE PHE GLY GLY GLN THR LEU TYR GLU ALA MET ILE ASP SEQRES 9 B 161 GLN VAL ASP ASP MET TYR ILE THR VAL ILE ASP GLY LYS SEQRES 10 B 161 PHE GLN GLY ASP THR PHE PHE PRO PRO TYR THR PHE GLU SEQRES 11 B 161 ASP TRP GLU VAL GLU SER SER VAL GLU GLY GLN LEU ASP SEQRES 12 B 161 GLU LYS ASN THR ILE PRO HIS THR PHE LEU HIS LEU VAL SEQRES 13 B 161 ARG ARG LYS GLY LYS FORMUL 3 HOH *136(H2 O1) HELIX 1 1 LEU A 24 THR A 36 1 13 HELIX 2 2 ARG A 44 GLY A 51 1 8 HELIX 3 3 SER A 78 ILE A 82 5 5 HELIX 4 4 GLY A 94 ILE A 102 1 9 HELIX 5 5 LEU B 24 THR B 36 1 13 HELIX 6 6 ARG B 44 GLY B 51 1 8 HELIX 7 7 LEU B 79 GLU B 84 1 6 HELIX 8 8 GLY B 94 ILE B 102 1 9 SHEET 1 AA 8 VAL A 73 ILE A 76 0 SHEET 2 AA 8 ARG A 58 LEU A 62 1 O ASN A 59 N ASP A 74 SHEET 3 AA 8 THR A 39 ALA A 43 1 O LEU A 40 N VAL A 60 SHEET 4 AA 8 VAL A 89 PHE A 92 1 O PHE A 90 N VAL A 41 SHEET 5 AA 8 LEU A 2 HIS A 8 1 O SER A 3 N ILE A 91 SHEET 6 AA 8 ASP A 107 ILE A 113 1 O ASP A 107 N ILE A 4 SHEET 7 AA 8 HIS A 149 ARG A 156 -1 O THR A 150 N VAL A 112 SHEET 8 AA 8 TRP A 131 GLU A 138 -1 O GLU A 132 N VAL A 155 SHEET 1 BA 8 VAL B 73 ILE B 76 0 SHEET 2 BA 8 ARG B 58 LEU B 62 1 O ASN B 59 N ASP B 74 SHEET 3 BA 8 THR B 39 ALA B 43 1 O LEU B 40 N VAL B 60 SHEET 4 BA 8 VAL B 89 PHE B 92 1 O PHE B 90 N VAL B 41 SHEET 5 BA 8 LEU B 2 HIS B 8 1 O SER B 3 N ILE B 91 SHEET 6 BA 8 ASP B 107 ILE B 113 1 O ASP B 107 N ILE B 4 SHEET 7 BA 8 HIS B 149 ARG B 156 -1 O THR B 150 N VAL B 112 SHEET 8 BA 8 TRP B 131 GLU B 138 -1 O GLU B 132 N VAL B 155 CISPEP 1 GLY B 93 GLY B 94 0 1.41 CRYST1 54.090 71.637 54.132 90.00 90.04 90.00 P 1 21 1 4 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 0.018488 0.000000 0.000013 0.00000 SCALE2 0.000000 0.013959 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018473 0.00000 ATOM 1 N THR A 1 26.624 8.214 -3.610 1.00 24.34 N ATOM 2 CA THR A 1 26.057 7.982 -2.226 1.00 23.10 C ATOM 3 C THR A 1 26.000 9.269 -1.492 1.00 16.82 C ATOM 4 O THR A 1 26.949 10.032 -1.448 1.00 16.23 O ATOM 5 CB THR A 1 26.890 6.979 -1.461 1.00 25.17 C ATOM 6 OG1 THR A 1 26.984 5.820 -2.289 1.00 24.12 O ATOM 7 CG2 THR A 1 26.242 6.606 -0.112 1.00 18.24 C ATOM 8 N LEU A 2 24.837 9.498 -0.944 1.00 16.85 N ATOM 9 CA LEU A 2 24.518 10.668 -0.126 1.00 17.28 C ATOM 10 C LEU A 2 24.364 10.163 1.297 1.00 14.19 C ATOM 11 O LEU A 2 23.544 9.319 1.573 1.00 17.43 O ATOM 12 CB LEU A 2 23.194 11.175 -0.676 1.00 16.10 C ATOM 13 CG LEU A 2 22.774 12.551 -0.356 1.00 21.10 C ATOM 14 CD1 LEU A 2 24.036 13.358 -0.456 1.00 21.29 C ATOM 15 CD2 LEU A 2 21.713 12.908 -1.458 1.00 25.29 C ATOM 16 N SER A 3 25.198 10.610 2.207 1.00 19.12 N ATOM 17 CA SER A 3 25.121 10.135 3.624 1.00 16.92 C ATOM 18 C SER A 3 24.888 11.276 4.596 1.00 16.83 C ATOM 19 O SER A 3 25.548 12.326 4.530 1.00 15.88 O ATOM 20 CB SER A 3 26.434 9.452 3.993 1.00 14.50 C ATOM 21 OG SER A 3 26.580 8.331 3.149 1.00 15.93 O ATOM 22 N ILE A 4 24.010 11.084 5.560 1.00 14.63 N ATOM 23 CA ILE A 4 24.068 12.003 6.708 1.00 15.30 C ATOM 24 C ILE A 4 25.260 11.673 7.671 1.00 14.28 C ATOM 25 O ILE A 4 25.511 10.541 7.959 1.00 13.97 O ATOM 26 CB ILE A 4 22.622 12.107 7.453 1.00 18.06 C ATOM 27 CG1 ILE A 4 21.702 13.077 6.655 1.00 16.11 C ATOM 28 CG2 ILE A 4 22.816 12.368 9.028 1.00 10.64 C ATOM 29 CD1 ILE A 4 20.186 13.189 7.093 1.00 14.12 C ATOM 30 N ILE A 5 25.944 12.676 8.198 1.00 19.57 N ATOM 31 CA ILE A 5 26.721 12.578 9.442 1.00 20.94 C ATOM 32 C ILE A 5 26.107 13.443 10.596 1.00 20.30 C ATOM 33 O ILE A 5 25.863 14.660 10.424 1.00 18.09 O ATOM 34 CB ILE A 5 28.156 13.009 9.205 1.00 22.14 C ATOM 35 CG1 ILE A 5 28.803 12.150 8.160 1.00 33.13 C ATOM 36 CG2 ILE A 5 28.990 12.659 10.395 1.00 25.44 C ATOM 37 CD1 ILE A 5 30.375 12.324 8.219 1.00 40.14 C ATOM 38 N VAL A 6 25.775 12.813 11.715 1.00 17.13 N ATOM 39 CA VAL A 6 25.192 13.516 12.883 1.00 19.03 C ATOM 40 C VAL A 6 25.557 12.891 14.253 1.00 20.34 C ATOM 41 O VAL A 6 25.814 11.693 14.352 1.00 19.03 O ATOM 42 CB VAL A 6 23.641 13.683 12.805 1.00 23.42 C ATOM 43 CG1 VAL A 6 22.882 12.319 13.021 1.00 16.58 C ATOM 44 CG2 VAL A 6 23.159 14.812 13.824 1.00 16.38 C ATOM 45 N ALA A 7 25.612 13.721 15.301 1.00 19.35 N ATOM 46 CA ALA A 7 25.697 13.215 16.656 1.00 15.45 C ATOM 47 C ALA A 7 24.512 13.688 17.427 1.00 14.14 C ATOM 48 O ALA A 7 24.111 14.841 17.332 1.00 20.93 O ATOM 49 CB ALA A 7 27.025 13.592 17.322 1.00 13.72 C ATOM 50 N HIS A 8 23.890 12.822 18.191 1.00 13.73 N ATOM 51 CA HIS A 8 22.790 13.320 19.005 1.00 15.61 C ATOM 52 C HIS A 8 22.488 12.474 20.284 1.00 21.81 C ATOM 53 O HIS A 8 23.082 11.415 20.517 1.00 21.85 O ATOM 54 CB HIS A 8 21.546 13.519 18.143 1.00 10.86 C ATOM 55 CG HIS A 8 20.836 12.227 17.772 1.00 19.04 C ATOM 56 ND1 HIS A 8 20.301 11.366 18.712 1.00 20.74 N ATOM 57 CD2 HIS A 8 20.579 11.660 16.565 1.00 15.16 C ATOM 58 CE1 HIS A 8 19.728 10.346 18.110 1.00 18.30 C ATOM 59 NE2 HIS A 8 19.912 10.482 16.806 1.00 23.13 N ATOM 60 N ASP A 9 21.552 12.949 21.104 1.00 21.63 N ATOM 61 CA ASP A 9 21.344 12.374 22.409 1.00 23.36 C ATOM 62 C ASP A 9 20.016 11.599 22.453 1.00 23.58 C ATOM 63 O ASP A 9 19.344 11.502 21.449 1.00 28.12 O ATOM 64 CB ASP A 9 21.490 13.479 23.477 1.00 23.89 C ATOM 65 CG ASP A 9 20.297 14.418 23.572 1.00 21.89 C ATOM 66 OD1 ASP A 9 19.320 14.318 22.784 1.00 17.21 O ATOM 67 OD2 ASP A 9 20.353 15.319 24.460 1.00 23.94 O ATOM 68 N LYS A 10 19.616 11.076 23.592 1.00 25.01 N ATOM 69 CA LYS A 10 18.408 10.272 23.687 1.00 23.43 C ATOM 70 C LYS A 10 17.171 11.059 23.415 1.00 27.74 C ATOM 71 O LYS A 10 16.067 10.517 23.428 1.00 40.22 O ATOM 72 CB LYS A 10 18.289 9.576 25.055 0.50 25.10 C ATOM 73 CG LYS A 10 19.611 8.970 25.589 0.50 26.41 C ATOM 74 CD LYS A 10 19.513 7.517 26.092 0.50 22.02 C ATOM 75 CE LYS A 10 18.496 7.344 27.188 0.50 14.50 C ATOM 76 NZ LYS A 10 19.157 7.473 28.509 0.50 13.72 N ATOM 77 N GLN A 11 17.260 12.339 23.162 1.00 25.96 N ATOM 78 CA GLN A 11 16.017 12.981 22.783 1.00 21.99 C ATOM 79 C GLN A 11 16.178 13.595 21.399 1.00 20.68 C ATOM 80 O GLN A 11 15.334 14.402 20.977 1.00 16.88 O ATOM 81 CB GLN A 11 15.561 13.984 23.867 0.50 21.02 C ATOM 82 CG GLN A 11 15.283 13.282 25.240 0.50 23.51 C ATOM 83 CD GLN A 11 13.972 12.437 25.262 0.50 23.76 C ATOM 84 OE1 GLN A 11 13.970 11.163 25.282 0.50 12.19 O ATOM 85 NE2 GLN A 11 12.852 13.153 25.255 0.50 25.40 N ATOM 86 N ARG A 12 17.273 13.210 20.706 1.00 17.75 N ATOM 87 CA ARG A 12 17.557 13.646 19.319 1.00 15.87 C ATOM 88 C ARG A 12 18.023 15.069 19.279 1.00 13.40 C ATOM 89 O ARG A 12 18.070 15.673 18.222 1.00 16.50 O ATOM 90 CB ARG A 12 16.335 13.436 18.390 1.00 14.82 C ATOM 91 CG ARG A 12 16.115 11.946 17.873 1.00 20.89 C ATOM 92 CD ARG A 12 14.576 11.674 17.534 1.00 19.27 C ATOM 93 NE ARG A 12 14.019 12.927 17.091 1.00 32.00 N ATOM 94 CZ ARG A 12 12.877 13.447 17.492 1.00 29.91 C ATOM 95 NH1 ARG A 12 12.120 12.832 18.363 1.00 30.47 N ATOM 96 NH2 ARG A 12 12.498 14.603 16.996 1.00 42.83 N ATOM 97 N VAL A 13 18.430 15.593 20.440 1.00 18.83 N ATOM 98 CA VAL A 13 19.103 16.932 20.571 1.00 20.65 C ATOM 99 C VAL A 13 20.538 16.843 19.998 1.00 19.40 C ATOM 100 O VAL A 13 21.270 15.931 20.338 1.00 20.51 O ATOM 101 CB VAL A 13 19.134 17.465 22.086 1.00 20.61 C ATOM 102 CG1 VAL A 13 19.939 18.699 22.156 1.00 15.70 C ATOM 103 CG2 VAL A 13 17.673 17.771 22.633 1.00 19.82 C ATOM 104 N ILE A 14 20.884 17.733 19.074 1.00 21.05 N ATOM 105 CA ILE A 14 22.181 17.718 18.375 1.00 23.82 C ATOM 106 C ILE A 14 23.196 18.357 19.345 1.00 28.25 C ATOM 107 O ILE A 14 22.920 19.421 19.936 1.00 28.03 O ATOM 108 CB ILE A 14 22.021 18.528 17.037 1.00 24.92 C ATOM 109 CG1 ILE A 14 20.881 17.891 16.249 1.00 19.36 C ATOM 110 CG2 ILE A 14 23.293 18.549 16.154 1.00 19.05 C ATOM 111 CD1 ILE A 14 20.577 18.540 14.836 1.00 16.61 C ATOM 112 N GLY A 15 24.358 17.726 19.560 1.00 31.99 N ATOM 113 CA GLY A 15 25.302 18.346 20.505 1.00 32.59 C ATOM 114 C GLY A 15 26.203 19.332 19.798 1.00 32.28 C ATOM 115 O GLY A 15 26.747 18.966 18.746 1.00 29.19 O ATOM 116 N TYR A 16 26.300 20.576 20.343 1.00 34.05 N ATOM 117 CA TYR A 16 27.220 21.678 19.833 1.00 33.56 C ATOM 118 C TYR A 16 27.099 21.732 18.300 1.00 34.07 C ATOM 119 O TYR A 16 28.132 21.664 17.579 1.00 33.36 O ATOM 120 CB TYR A 16 28.724 21.444 20.148 1.00 29.98 C ATOM 121 CG TYR A 16 29.155 21.543 21.633 1.00 39.70 C ATOM 122 CD1 TYR A 16 30.035 22.583 22.083 1.00 29.39 C ATOM 123 CD2 TYR A 16 28.725 20.581 22.589 1.00 43.97 C ATOM 124 CE1 TYR A 16 30.429 22.664 23.404 1.00 30.74 C ATOM 125 CE2 TYR A 16 29.105 20.683 23.912 1.00 38.57 C ATOM 126 CZ TYR A 16 29.964 21.730 24.297 1.00 32.49 C ATOM 127 OH TYR A 16 30.367 21.828 25.585 1.00 38.04 O ATOM 128 N GLN A 17 25.843 21.761 17.830 1.00 31.82 N ATOM 129 CA GLN A 17 25.456 22.131 16.464 1.00 26.97 C ATOM 130 C GLN A 17 26.344 23.217 15.886 1.00 27.17 C ATOM 131 O GLN A 17 26.708 24.217 16.539 1.00 25.17 O ATOM 132 CB GLN A 17 24.025 22.657 16.417 1.00 23.82 C ATOM 133 CG GLN A 17 23.343 22.172 15.178 1.00 34.79 C ATOM 134 CD GLN A 17 22.072 22.907 14.860 1.00 36.13 C ATOM 135 OE1 GLN A 17 22.081 24.110 14.624 1.00 38.87 O ATOM 136 NE2 GLN A 17 20.972 22.181 14.814 1.00 35.18 N ATOM 137 N ASN A 18 26.666 22.966 14.631 1.00 29.40 N ATOM 138 CA ASN A 18 27.569 23.739 13.840 1.00 29.71 C ATOM 139 C ASN A 18 29.050 23.612 14.078 1.00 26.98 C ATOM 140 O ASN A 18 29.794 24.173 13.367 1.00 28.84 O ATOM 141 CB ASN A 18 27.071 25.151 13.696 1.00 27.10 C ATOM 142 CG ASN A 18 25.742 25.162 13.089 1.00 27.16 C ATOM 143 OD1 ASN A 18 25.503 24.459 12.095 1.00 38.40 O ATOM 144 ND2 ASN A 18 24.837 25.939 13.651 1.00 37.50 N ATOM 145 N GLN A 19 29.485 22.873 15.077 1.00 29.79 N ATOM 146 CA GLN A 19 30.885 22.867 15.379 1.00 31.40 C ATOM 147 C GLN A 19 31.515 21.509 15.007 1.00 29.17 C ATOM 148 O GLN A 19 30.860 20.475 15.090 1.00 26.35 O ATOM 149 CB GLN A 19 31.102 23.168 16.856 1.00 30.12 C ATOM 150 CG GLN A 19 30.306 24.302 17.440 1.00 35.01 C ATOM 151 CD GLN A 19 30.739 24.584 18.914 1.00 41.01 C ATOM 152 OE1 GLN A 19 31.957 24.611 19.218 1.00 56.82 O ATOM 153 NE2 GLN A 19 29.755 24.805 19.816 1.00 40.85 N ATOM 154 N LEU A 20 32.787 21.509 14.620 1.00 25.14 N ATOM 155 CA LEU A 20 33.595 20.307 14.794 1.00 26.74 C ATOM 156 C LEU A 20 33.485 19.726 16.257 1.00 26.00 C ATOM 157 O LEU A 20 33.544 20.481 17.233 1.00 21.67 O ATOM 158 CB LEU A 20 35.048 20.613 14.425 1.00 25.11 C ATOM 159 CG LEU A 20 35.672 20.174 13.099 1.00 31.31 C ATOM 160 CD1 LEU A 20 34.706 19.734 12.058 1.00 22.78 C ATOM 161 CD2 LEU A 20 36.685 21.213 12.556 1.00 28.78 C ATOM 162 N PRO A 21 33.263 18.386 16.396 1.00 23.92 N ATOM 163 CA PRO A 21 33.067 17.781 17.729 1.00 21.52 C ATOM 164 C PRO A 21 34.311 17.573 18.596 1.00 19.52 C ATOM 165 O PRO A 21 34.655 16.439 19.018 1.00 15.07 O ATOM 166 CB PRO A 21 32.306 16.503 17.436 1.00 20.49 C ATOM 167 CG PRO A 21 32.564 16.224 15.948 1.00 16.41 C ATOM 168 CD PRO A 21 33.050 17.432 15.293 1.00 21.29 C ATOM 169 N TRP A 22 34.963 18.704 18.880 1.00 23.70 N ATOM 170 CA TRP A 22 36.150 18.780 19.732 1.00 23.07 C ATOM 171 C TRP A 22 35.849 18.113 21.116 1.00 26.93 C ATOM 172 O TRP A 22 36.725 17.496 21.733 1.00 25.87 O ATOM 173 CB TRP A 22 36.554 20.267 19.838 1.00 20.65 C ATOM 174 CG TRP A 22 37.223 20.833 18.535 1.00 19.38 C ATOM 175 CD1 TRP A 22 36.739 21.833 17.697 1.00 16.22 C ATOM 176 CD2 TRP A 22 38.476 20.408 17.952 1.00 17.49 C ATOM 177 NE1 TRP A 22 37.595 22.020 16.660 1.00 15.97 N ATOM 178 CE2 TRP A 22 38.678 21.173 16.804 1.00 15.30 C ATOM 179 CE3 TRP A 22 39.469 19.473 18.328 1.00 22.00 C ATOM 180 CZ2 TRP A 22 39.808 21.017 16.015 1.00 13.42 C ATOM 181 CZ3 TRP A 22 40.558 19.321 17.532 1.00 14.91 C ATOM 182 CH2 TRP A 22 40.723 20.072 16.390 1.00 15.55 C ATOM 183 N HIS A 23 34.581 18.181 21.534 1.00 27.27 N ATOM 184 CA HIS A 23 34.105 17.713 22.822 1.00 28.50 C ATOM 185 C HIS A 23 33.747 16.260 22.878 1.00 28.49 C ATOM 186 O HIS A 23 33.676 15.719 23.982 1.00 28.68 O ATOM 187 CB HIS A 23 32.871 18.479 23.234 1.00 30.68 C ATOM 188 CG HIS A 23 31.778 18.410 22.237 1.00 40.83 C ATOM 189 ND1 HIS A 23 30.852 17.384 22.215 1.00 50.59 N ATOM 190 CD2 HIS A 23 31.475 19.223 21.198 1.00 45.68 C ATOM 191 CE1 HIS A 23 30.020 17.572 21.211 1.00 50.95 C ATOM 192 NE2 HIS A 23 30.371 18.685 20.585 1.00 56.99 N ATOM 193 N LEU A 24 33.521 15.613 21.727 1.00 29.32 N ATOM 194 CA LEU A 24 33.670 14.137 21.596 1.00 26.92 C ATOM 195 C LEU A 24 34.675 13.644 20.550 1.00 24.79 C ATOM 196 O LEU A 24 34.319 13.465 19.384 1.00 18.87 O ATOM 197 CB LEU A 24 32.334 13.424 21.325 1.00 29.20 C ATOM 198 CG LEU A 24 32.473 11.883 21.661 1.00 28.48 C ATOM 199 CD1 LEU A 24 32.890 11.549 23.099 1.00 29.56 C ATOM 200 CD2 LEU A 24 31.220 11.107 21.254 1.00 27.53 C ATOM 201 N PRO A 25 35.917 13.429 20.984 1.00 21.79 N ATOM 202 CA PRO A 25 37.105 13.187 20.126 1.00 23.41 C ATOM 203 C PRO A 25 37.064 11.958 19.260 1.00 24.81 C ATOM 204 O PRO A 25 37.709 11.931 18.213 1.00 27.57 O ATOM 205 CB PRO A 25 38.280 13.136 21.113 1.00 18.85 C ATOM 206 CG PRO A 25 37.768 13.799 22.392 1.00 16.49 C ATOM 207 CD PRO A 25 36.272 13.589 22.412 1.00 24.28 C ATOM 208 N ASN A 26 36.371 10.930 19.733 1.00 26.47 N ATOM 209 CA ASN A 26 36.147 9.655 19.006 1.00 26.60 C ATOM 210 C ASN A 26 35.357 9.968 17.749 1.00 24.13 C ATOM 211 O ASN A 26 35.615 9.502 16.658 1.00 24.46 O ATOM 212 CB ASN A 26 35.173 8.829 19.865 1.00 30.58 C ATOM 213 CG ASN A 26 35.858 7.826 20.725 1.00 28.42 C ATOM 214 OD1 ASN A 26 37.069 7.710 20.664 1.00 28.47 O ATOM 215 ND2 ASN A 26 35.070 7.054 21.511 1.00 24.90 N ATOM 216 N ASP A 27 34.377 10.815 17.972 1.00 21.02 N ATOM 217 CA ASP A 27 33.589 11.386 16.943 1.00 23.11 C ATOM 218 C ASP A 27 34.233 12.334 15.895 1.00 23.11 C ATOM 219 O ASP A 27 33.911 12.262 14.709 1.00 24.66 O ATOM 220 CB ASP A 27 32.379 11.967 17.625 1.00 23.66 C ATOM 221 CG ASP A 27 31.250 12.065 16.727 1.00 31.01 C ATOM 222 OD1 ASP A 27 31.029 11.122 15.941 1.00 42.16 O ATOM 223 OD2 ASP A 27 30.619 13.112 16.778 1.00 40.19 O ATOM 224 N LEU A 28 35.156 13.192 16.323 1.00 22.87 N ATOM 225 CA LEU A 28 36.000 13.956 15.434 1.00 24.65 C ATOM 226 C LEU A 28 36.887 13.015 14.609 1.00 23.92 C ATOM 227 O LEU A 28 37.108 13.241 13.424 1.00 20.76 O ATOM 228 CB LEU A 28 36.837 14.989 16.236 1.00 24.16 C ATOM 229 CG LEU A 28 37.605 16.122 15.574 1.00 24.90 C ATOM 230 CD1 LEU A 28 36.735 17.093 14.866 1.00 23.64 C ATOM 231 CD2 LEU A 28 38.419 16.860 16.633 1.00 32.01 C ATOM 232 N LYS A 29 37.371 11.922 15.180 1.00 24.62 N ATOM 233 CA LYS A 29 38.185 11.019 14.358 1.00 23.92 C ATOM 234 C LYS A 29 37.286 10.268 13.365 1.00 21.99 C ATOM 235 O LYS A 29 37.649 10.032 12.249 1.00 17.39 O ATOM 236 CB LYS A 29 38.930 10.058 15.246 1.00 26.26 C ATOM 237 CG LYS A 29 39.805 9.021 14.546 1.00 29.76 C ATOM 238 CD LYS A 29 40.159 8.012 15.640 1.00 46.38 C ATOM 239 CE LYS A 29 40.815 6.783 15.105 1.00 54.36 C ATOM 240 NZ LYS A 29 41.837 6.367 16.099 1.00 60.89 N ATOM 241 N HIS A 30 36.069 9.957 13.791 1.00 24.55 N ATOM 242 CA HIS A 30 35.080 9.284 12.927 1.00 24.45 C ATOM 243 C HIS A 30 34.702 10.105 11.671 1.00 20.88 C ATOM 244 O HIS A 30 34.736 9.619 10.555 1.00 21.79 O ATOM 245 CB HIS A 30 33.895 8.939 13.805 1.00 23.07 C ATOM 246 CG HIS A 30 32.816 8.139 13.136 1.00 26.31 C ATOM 247 ND1 HIS A 30 33.007 6.854 12.686 1.00 32.34 N ATOM 248 CD2 HIS A 30 31.508 8.418 12.929 1.00 15.58 C ATOM 249 CE1 HIS A 30 31.878 6.386 12.197 1.00 23.56 C ATOM 250 NE2 HIS A 30 30.949 7.311 12.346 1.00 35.82 N ATOM 251 N ILE A 31 34.413 11.372 11.891 1.00 19.26 N ATOM 252 CA ILE A 31 34.259 12.338 10.830 1.00 23.09 C ATOM 253 C ILE A 31 35.440 12.459 9.813 1.00 20.50 C ATOM 254 O ILE A 31 35.245 12.374 8.618 1.00 18.85 O ATOM 255 CB ILE A 31 33.850 13.723 11.401 1.00 20.67 C ATOM 256 CG1 ILE A 31 32.461 13.597 12.022 1.00 26.73 C ATOM 257 CG2 ILE A 31 33.639 14.711 10.227 1.00 26.01 C ATOM 258 CD1 ILE A 31 32.036 14.864 12.912 1.00 23.82 C ATOM 259 N LYS A 32 36.630 12.720 10.334 1.00 21.93 N ATOM 260 CA LYS A 32 37.875 12.584 9.657 1.00 20.44 C ATOM 261 C LYS A 32 38.024 11.355 8.772 1.00 22.64 C ATOM 262 O LYS A 32 38.340 11.484 7.590 1.00 27.52 O ATOM 263 CB LYS A 32 39.059 12.813 10.604 1.00 20.65 C ATOM 264 CG LYS A 32 40.452 12.988 9.915 0.50 13.72 C ATOM 265 CD LYS A 32 41.552 13.167 10.969 0.50 16.00 C ATOM 266 CE LYS A 32 42.904 13.444 10.291 0.50 26.70 C ATOM 267 NZ LYS A 32 43.272 12.514 9.163 0.50 25.73 N ATOM 268 N GLN A 33 37.762 10.176 9.298 1.00 24.17 N ATOM 269 CA GLN A 33 37.952 8.960 8.539 1.00 24.23 C ATOM 270 C GLN A 33 36.834 8.805 7.520 1.00 19.90 C ATOM 271 O GLN A 33 37.098 8.414 6.408 1.00 18.20 O ATOM 272 CB GLN A 33 38.000 7.739 9.452 1.00 25.96 C ATOM 273 CG GLN A 33 39.064 7.839 10.546 1.00 35.90 C ATOM 274 CD GLN A 33 39.065 6.613 11.492 1.00 38.00 C ATOM 275 OE1 GLN A 33 40.133 6.187 11.914 1.00 36.75 O ATOM 276 NE2 GLN A 33 37.856 6.064 11.832 1.00 41.18 N ATOM 277 N LEU A 34 35.585 9.122 7.854 1.00 17.42 N ATOM 278 CA LEU A 34 34.554 9.005 6.799 1.00 15.74 C ATOM 279 C LEU A 34 34.758 9.940 5.604 1.00 15.71 C ATOM 280 O LEU A 34 34.673 9.538 4.471 1.00 21.97 O ATOM 281 CB LEU A 34 33.138 9.207 7.393 1.00 13.89 C ATOM 282 CG LEU A 34 32.779 8.144 8.413 1.00 16.73 C ATOM 283 CD1 LEU A 34 31.625 8.773 9.094 1.00 13.89 C ATOM 284 CD2 LEU A 34 32.420 6.758 7.716 1.00 18.60 C ATOM 285 N THR A 35 34.965 11.218 5.847 1.00 17.87 N ATOM 286 CA THR A 35 34.882 12.200 4.790 1.00 20.56 C ATOM 287 C THR A 35 36.197 12.456 4.065 1.00 21.87 C ATOM 288 O THR A 35 36.252 13.226 3.106 1.00 21.93 O ATOM 289 CB THR A 35 34.413 13.505 5.359 1.00 19.16 C ATOM 290 OG1 THR A 35 35.324 13.837 6.378 1.00 16.56 O ATOM 291 CG2 THR A 35 33.020 13.325 6.010 1.00 21.10 C ATOM 292 N THR A 36 37.251 11.789 4.475 1.00 22.53 N ATOM 293 CA THR A 36 38.524 12.093 3.853 1.00 27.12 C ATOM 294 C THR A 36 38.627 11.489 2.456 1.00 23.53 C ATOM 295 O THR A 36 38.418 10.297 2.315 1.00 21.98 O ATOM 296 CB THR A 36 39.728 11.687 4.744 1.00 28.42 C ATOM 297 OG1 THR A 36 40.913 11.945 4.004 1.00 30.02 O ATOM 298 CG2 THR A 36 39.676 10.185 5.096 1.00 32.64 C ATOM 299 N GLY A 37 38.932 12.292 1.430 1.00 19.67 N ATOM 300 CA GLY A 37 38.881 11.751 0.095 1.00 16.17 C ATOM 301 C GLY A 37 37.512 11.874 -0.618 1.00 19.52 C ATOM 302 O GLY A 37 37.387 11.354 -1.728 1.00 16.90 O ATOM 303 N ASN A 38 36.542 12.597 -0.006 1.00 11.39 N ATOM 304 CA ASN A 38 35.158 12.562 -0.329 1.00 11.78 C ATOM 305 C ASN A 38 34.685 13.982 -0.211 1.00 14.15 C ATOM 306 O ASN A 38 35.543 14.869 -0.223 1.00 17.47 O ATOM 307 CB ASN A 38 34.384 11.629 0.598 1.00 11.41 C ATOM 308 CG ASN A 38 34.803 10.141 0.438 1.00 15.79 C ATOM 309 OD1 ASN A 38 34.918 9.623 -0.680 1.00 19.44 O ATOM 310 ND2 ASN A 38 34.938 9.454 1.552 1.00 14.17 N ATOM 311 N THR A 39 33.359 14.212 -0.138 1.00 14.92 N ATOM 312 CA THR A 39 32.781 15.587 -0.242 1.00 16.53 C ATOM 313 C THR A 39 31.965 15.837 0.990 1.00 19.01 C ATOM 314 O THR A 39 31.195 14.972 1.370 1.00 20.00 O ATOM 315 CB THR A 39 31.822 15.716 -1.435 1.00 15.16 C ATOM 316 OG1 THR A 39 32.539 15.401 -2.638 1.00 20.80 O ATOM 317 CG2 THR A 39 31.176 17.101 -1.527 1.00 9.61 C ATOM 318 N LEU A 40 32.154 16.998 1.609 1.00 17.52 N ATOM 319 CA LEU A 40 31.441 17.351 2.808 1.00 16.95 C ATOM 320 C LEU A 40 30.596 18.608 2.468 1.00 14.68 C ATOM 321 O LEU A 40 31.141 19.676 2.271 1.00 18.16 O ATOM 322 CB LEU A 40 32.479 17.594 3.903 1.00 16.68 C ATOM 323 CG LEU A 40 32.041 18.025 5.293 1.00 15.29 C ATOM 324 CD1 LEU A 40 31.052 17.012 5.757 1.00 10.85 C ATOM 325 CD2 LEU A 40 33.256 18.053 6.229 1.00 25.46 C ATOM 326 N VAL A 41 29.280 18.440 2.310 1.00 16.48 N ATOM 327 CA VAL A 41 28.308 19.526 2.300 1.00 18.15 C ATOM 328 C VAL A 41 27.927 20.035 3.710 1.00 19.63 C ATOM 329 O VAL A 41 27.410 19.303 4.582 1.00 15.60 O ATOM 330 CB VAL A 41 27.021 19.130 1.535 1.00 17.59 C ATOM 331 CG1 VAL A 41 25.972 20.249 1.528 1.00 15.94 C ATOM 332 CG2 VAL A 41 27.360 18.749 0.199 1.00 8.37 C ATOM 333 N MET A 42 28.225 21.304 3.917 1.00 21.16 N ATOM 334 CA MET A 42 27.984 21.956 5.197 1.00 22.88 C ATOM 335 C MET A 42 27.084 23.199 5.089 1.00 24.66 C ATOM 336 O MET A 42 27.024 23.873 4.068 1.00 20.62 O ATOM 337 CB MET A 42 29.241 22.005 6.113 1.00 23.67 C ATOM 338 CG MET A 42 30.323 23.109 6.017 1.00 22.98 C ATOM 339 SD MET A 42 32.077 22.471 6.199 1.00 26.20 S ATOM 340 CE MET A 42 32.292 21.920 4.553 1.00 31.47 C ATOM 341 N ALA A 43 26.256 23.359 6.104 1.00 26.00 N ATOM 342 CA ALA A 43 25.534 24.563 6.332 1.00 26.69 C ATOM 343 C ALA A 43 26.564 25.702 6.462 1.00 23.87 C ATOM 344 O ALA A 43 27.672 25.567 6.991 1.00 22.41 O ATOM 345 CB ALA A 43 24.620 24.369 7.639 1.00 26.38 C ATOM 346 N ARG A 44 26.192 26.814 5.914 1.00 24.37 N ATOM 347 CA ARG A 44 26.953 28.006 5.991 1.00 24.59 C ATOM 348 C ARG A 44 27.471 28.341 7.451 1.00 25.25 C ATOM 349 O ARG A 44 28.648 28.756 7.656 1.00 24.31 O ATOM 350 CB ARG A 44 26.014 29.098 5.484 1.00 23.08 C ATOM 351 CG ARG A 44 26.553 30.414 5.809 1.00 29.87 C ATOM 352 CD ARG A 44 27.929 30.433 5.190 1.00 35.76 C ATOM 353 NE ARG A 44 28.457 31.775 5.071 1.00 44.27 N ATOM 354 CZ ARG A 44 27.806 32.794 4.514 1.00 57.77 C ATOM 355 NH1 ARG A 44 26.582 32.621 4.038 1.00 63.99 N ATOM 356 NH2 ARG A 44 28.388 33.994 4.427 1.00 66.20 N ATOM 357 N LYS A 45 26.597 28.175 8.448 1.00 23.16 N ATOM 358 CA LYS A 45 26.888 28.525 9.834 1.00 22.39 C ATOM 359 C LYS A 45 27.879 27.452 10.340 1.00 21.45 C ATOM 360 O LYS A 45 28.604 27.640 11.325 1.00 22.05 O ATOM 361 CB LYS A 45 25.595 28.393 10.660 1.00 24.56 C ATOM 362 CG LYS A 45 24.918 29.571 11.326 1.00 26.55 C ATOM 363 CD LYS A 45 23.900 28.979 12.339 0.50 24.87 C ATOM 364 CE LYS A 45 23.485 29.968 13.504 0.50 37.36 C ATOM 365 NZ LYS A 45 24.549 30.272 14.571 0.50 17.36 N ATOM 366 N THR A 46 27.849 26.281 9.717 1.00 20.14 N ATOM 367 CA THR A 46 28.876 25.262 9.996 1.00 18.63 C ATOM 368 C THR A 46 30.220 25.670 9.440 1.00 14.77 C ATOM 369 O THR A 46 31.160 25.576 10.122 1.00 19.33 O ATOM 370 CB THR A 46 28.460 23.827 9.539 1.00 16.55 C ATOM 371 OG1 THR A 46 27.212 23.536 10.129 1.00 25.91 O ATOM 372 CG2 THR A 46 29.430 22.811 9.992 1.00 7.26 C ATOM 373 N PHE A 47 30.302 26.151 8.208 1.00 15.27 N ATOM 374 CA PHE A 47 31.580 26.603 7.727 1.00 18.15 C ATOM 375 C PHE A 47 32.181 27.785 8.541 1.00 21.36 C ATOM 376 O PHE A 47 33.384 27.930 8.676 1.00 23.41 O ATOM 377 CB PHE A 47 31.542 26.941 6.243 1.00 16.74 C ATOM 378 CG PHE A 47 32.861 27.367 5.728 1.00 18.28 C ATOM 379 CD1 PHE A 47 33.843 26.399 5.438 1.00 9.82 C ATOM 380 CD2 PHE A 47 33.154 28.733 5.589 1.00 23.89 C ATOM 381 CE1 PHE A 47 35.077 26.772 5.004 1.00 12.16 C ATOM 382 CE2 PHE A 47 34.406 29.137 5.178 1.00 19.37 C ATOM 383 CZ PHE A 47 35.364 28.182 4.894 1.00 8.73 C ATOM 384 N GLU A 48 31.332 28.627 9.090 1.00 24.55 N ATOM 385 CA GLU A 48 31.789 29.811 9.732 1.00 25.86 C ATOM 386 C GLU A 48 32.273 29.546 11.136 1.00 24.02 C ATOM 387 O GLU A 48 33.254 30.164 11.555 1.00 21.25 O ATOM 388 CB GLU A 48 30.736 30.943 9.639 1.00 29.70 C ATOM 389 CG GLU A 48 30.981 31.815 8.367 1.00 33.45 C ATOM 390 CD GLU A 48 29.719 32.561 7.933 1.00 53.37 C ATOM 391 OE1 GLU A 48 28.755 32.586 8.747 1.00 61.01 O ATOM 392 OE2 GLU A 48 29.677 33.114 6.792 1.00 50.19 O ATOM 393 N SER A 49 31.631 28.616 11.852 1.00 22.42 N ATOM 394 CA SER A 49 32.290 27.946 12.977 1.00 17.98 C ATOM 395 C SER A 49 33.702 27.401 12.660 1.00 19.20 C ATOM 396 O SER A 49 34.669 27.727 13.319 1.00 21.55 O ATOM 397 CB SER A 49 31.381 26.871 13.513 1.00 20.56 C ATOM 398 OG SER A 49 32.080 25.886 14.270 1.00 20.27 O ATOM 399 N ILE A 50 33.851 26.603 11.615 1.00 18.06 N ATOM 400 CA ILE A 50 35.176 26.048 11.342 1.00 20.22 C ATOM 401 C ILE A 50 36.244 27.092 10.902 1.00 20.65 C ATOM 402 O ILE A 50 37.290 27.238 11.536 1.00 25.13 O ATOM 403 CB ILE A 50 35.084 24.853 10.374 1.00 19.31 C ATOM 404 CG1 ILE A 50 34.008 23.852 10.859 1.00 20.20 C ATOM 405 CG2 ILE A 50 36.429 24.249 10.166 1.00 18.28 C ATOM 406 CD1 ILE A 50 33.806 22.607 9.945 1.00 14.70 C ATOM 407 N GLY A 51 35.956 27.797 9.804 1.00 23.30 N ATOM 408 CA GLY A 51 36.567 29.070 9.403 1.00 16.04 C ATOM 409 C GLY A 51 37.525 28.859 8.270 1.00 18.52 C ATOM 410 O GLY A 51 38.102 29.786 7.733 1.00 19.25 O ATOM 411 N LYS A 52 37.693 27.610 7.900 1.00 18.34 N ATOM 412 CA LYS A 52 38.581 27.270 6.846 1.00 22.82 C ATOM 413 C LYS A 52 38.277 25.844 6.339 1.00 22.68 C ATOM 414 O LYS A 52 37.698 25.048 7.067 1.00 21.72 O ATOM 415 CB LYS A 52 40.024 27.529 7.234 1.00 21.13 C ATOM 416 CG LYS A 52 40.696 26.556 8.210 1.00 32.24 C ATOM 417 CD LYS A 52 42.149 26.426 7.675 1.00 35.91 C ATOM 418 CE LYS A 52 43.079 25.820 8.646 1.00 25.18 C ATOM 419 NZ LYS A 52 43.457 26.916 9.514 1.00 39.20 N ATOM 420 N PRO A 53 38.605 25.563 5.063 1.00 23.11 N ATOM 421 CA PRO A 53 38.409 24.214 4.543 1.00 21.85 C ATOM 422 C PRO A 53 39.222 23.179 5.303 1.00 24.53 C ATOM 423 O PRO A 53 40.432 23.386 5.626 1.00 27.89 O ATOM 424 CB PRO A 53 38.928 24.300 3.108 1.00 19.68 C ATOM 425 CG PRO A 53 39.443 25.657 2.929 1.00 18.63 C ATOM 426 CD PRO A 53 39.165 26.506 4.072 1.00 16.33 C ATOM 427 N LEU A 54 38.569 22.039 5.516 1.00 24.43 N ATOM 428 CA LEU A 54 39.195 20.764 5.875 1.00 17.60 C ATOM 429 C LEU A 54 40.068 20.264 4.778 1.00 19.51 C ATOM 430 O LEU A 54 39.714 20.319 3.613 1.00 25.08 O ATOM 431 CB LEU A 54 38.109 19.752 6.230 1.00 13.36 C ATOM 432 CG LEU A 54 37.239 20.427 7.318 1.00 19.20 C ATOM 433 CD1 LEU A 54 36.260 19.389 7.804 1.00 18.97 C ATOM 434 CD2 LEU A 54 38.214 20.851 8.437 1.00 12.65 C ATOM 435 N PRO A 55 41.272 19.780 5.126 1.00 24.11 N ATOM 436 CA PRO A 55 42.144 19.330 4.024 1.00 21.00 C ATOM 437 C PRO A 55 41.732 17.965 3.407 1.00 20.83 C ATOM 438 O PRO A 55 41.018 17.184 4.034 1.00 23.25 O ATOM 439 CB PRO A 55 43.494 19.305 4.683 1.00 22.93 C ATOM 440 CG PRO A 55 43.195 18.938 6.146 1.00 22.35 C ATOM 441 CD PRO A 55 41.906 19.640 6.458 1.00 20.03 C ATOM 442 N ASN A 56 42.083 17.715 2.164 1.00 19.24 N ATOM 443 CA ASN A 56 41.899 16.384 1.606 1.00 22.18 C ATOM 444 C ASN A 56 40.525 15.915 1.289 1.00 19.58 C ATOM 445 O ASN A 56 40.218 14.713 1.297 1.00 20.63 O ATOM 446 CB ASN A 56 42.636 15.362 2.447 1.00 25.40 C ATOM 447 CG ASN A 56 44.148 15.668 2.510 1.00 39.90 C ATOM 448 OD1 ASN A 56 44.730 16.136 1.486 1.00 33.41 O ATOM 449 ND2 ASN A 56 44.789 15.454 3.715 1.00 29.28 N ATOM 450 N ARG A 57 39.664 16.861 0.987 1.00 21.46 N ATOM 451 CA ARG A 57 38.261 16.529 0.813 1.00 19.50 C ATOM 452 C ARG A 57 37.698 17.713 0.100 1.00 21.72 C ATOM 453 O ARG A 57 38.208 18.803 0.259 1.00 22.61 O ATOM 454 CB ARG A 57 37.567 16.132 2.160 1.00 21.96 C ATOM 455 CG ARG A 57 36.994 17.170 3.186 1.00 14.31 C ATOM 456 CD ARG A 57 37.000 16.447 4.605 1.00 13.14 C ATOM 457 NE ARG A 57 38.377 16.282 5.006 1.00 15.90 N ATOM 458 CZ ARG A 57 38.895 15.469 5.930 1.00 31.59 C ATOM 459 NH1 ARG A 57 38.156 14.669 6.679 1.00 23.23 N ATOM 460 NH2 ARG A 57 40.224 15.482 6.099 1.00 28.10 N ATOM 461 N ARG A 58 36.704 17.478 -0.749 1.00 18.11 N ATOM 462 CA ARG A 58 35.958 18.526 -1.313 1.00 16.66 C ATOM 463 C ARG A 58 34.986 19.187 -0.278 1.00 15.51 C ATOM 464 O ARG A 58 34.155 18.509 0.330 1.00 18.49 O ATOM 465 CB ARG A 58 35.225 18.009 -2.579 1.00 14.36 C ATOM 466 CG ARG A 58 34.684 19.180 -3.322 1.00 12.22 C ATOM 467 CD ARG A 58 33.671 18.740 -4.225 1.00 21.06 C ATOM 468 NE ARG A 58 33.141 19.828 -4.988 1.00 21.41 N ATOM 469 CZ ARG A 58 32.283 19.662 -6.020 1.00 31.25 C ATOM 470 NH1 ARG A 58 31.819 18.484 -6.384 1.00 27.58 N ATOM 471 NH2 ARG A 58 31.830 20.685 -6.676 1.00 18.55 N ATOM 472 N ASN A 59 35.129 20.503 -0.065 1.00 17.18 N ATOM 473 CA ASN A 59 34.314 21.233 0.891 1.00 18.80 C ATOM 474 C ASN A 59 33.301 21.984 0.150 1.00 16.40 C ATOM 475 O ASN A 59 33.650 22.743 -0.633 1.00 16.04 O ATOM 476 CB ASN A 59 35.102 22.299 1.698 1.00 18.57 C ATOM 477 CG ASN A 59 36.191 21.735 2.602 1.00 17.27 C ATOM 478 OD1 ASN A 59 37.130 21.046 2.184 1.00 23.25 O ATOM 479 ND2 ASN A 59 36.095 22.083 3.827 1.00 16.39 N ATOM 480 N VAL A 60 32.031 21.779 0.439 1.00 20.16 N ATOM 481 CA VAL A 60 30.969 22.466 -0.201 1.00 15.36 C ATOM 482 C VAL A 60 30.112 23.104 0.884 1.00 18.90 C ATOM 483 O VAL A 60 29.825 22.485 1.909 1.00 20.78 O ATOM 484 CB VAL A 60 30.133 21.442 -0.990 1.00 16.03 C ATOM 485 CG1 VAL A 60 28.844 22.098 -1.618 1.00 6.80 C ATOM 486 CG2 VAL A 60 30.967 20.812 -1.994 1.00 4.30 C ATOM 487 N VAL A 61 29.706 24.344 0.637 1.00 21.54 N ATOM 488 CA VAL A 61 28.931 25.165 1.534 1.00 18.80 C ATOM 489 C VAL A 61 27.628 25.563 0.863 1.00 24.11 C ATOM 490 O VAL A 61 27.650 25.998 -0.296 1.00 19.34 O ATOM 491 CB VAL A 61 29.673 26.429 1.877 1.00 19.63 C ATOM 492 CG1 VAL A 61 28.786 27.306 2.711 1.00 20.05 C ATOM 493 CG2 VAL A 61 30.970 26.082 2.670 1.00 12.26 C ATOM 494 N LEU A 62 26.504 25.346 1.582 1.00 24.00 N ATOM 495 CA LEU A 62 25.135 25.714 1.169 1.00 24.37 C ATOM 496 C LEU A 62 24.745 27.098 1.747 1.00 24.90 C ATOM 497 O LEU A 62 24.716 27.280 2.961 1.00 22.36 O ATOM 498 CB LEU A 62 24.179 24.651 1.689 1.00 24.18 C ATOM 499 CG LEU A 62 22.669 24.643 1.461 1.00 27.48 C ATOM 500 CD1 LEU A 62 22.305 24.909 -0.002 1.00 26.11 C ATOM 501 CD2 LEU A 62 22.212 23.280 1.946 1.00 27.18 C ATOM 502 N THR A 63 24.511 28.073 0.879 1.00 23.49 N ATOM 503 CA THR A 63 24.252 29.451 1.297 1.00 22.51 C ATOM 504 C THR A 63 23.540 30.224 0.161 1.00 23.40 C ATOM 505 O THR A 63 23.724 29.953 -1.014 1.00 25.27 O ATOM 506 CB THR A 63 25.582 30.217 1.788 1.00 25.41 C ATOM 507 OG1 THR A 63 25.245 31.446 2.461 1.00 21.63 O ATOM 508 CG2 THR A 63 26.587 30.491 0.614 1.00 12.18 C ATOM 509 N ASN A 64 22.723 31.177 0.561 1.00 25.84 N ATOM 510 CA ASN A 64 21.846 31.968 -0.304 1.00 26.57 C ATOM 511 C ASN A 64 22.474 33.392 -0.192 1.00 27.68 C ATOM 512 O ASN A 64 21.832 34.413 -0.424 1.00 32.02 O ATOM 513 CB ASN A 64 20.336 31.900 0.234 1.00 23.10 C ATOM 514 CG ASN A 64 20.105 32.614 1.626 0.50 27.62 C ATOM 515 OD1 ASN A 64 20.763 33.619 1.991 0.50 20.29 O ATOM 516 ND2 ASN A 64 19.116 32.101 2.383 0.50 20.13 N ATOM 517 N GLN A 65 23.725 33.448 0.230 1.00 22.97 N ATOM 518 CA GLN A 65 24.440 34.699 0.319 1.00 25.35 C ATOM 519 C GLN A 65 25.364 34.892 -0.889 1.00 23.47 C ATOM 520 O GLN A 65 26.402 34.270 -0.964 1.00 25.99 O ATOM 521 CB GLN A 65 25.250 34.722 1.600 1.00 19.75 C ATOM 522 CG GLN A 65 25.854 36.069 1.842 1.00 34.13 C ATOM 523 CD GLN A 65 26.780 36.084 3.082 1.00 35.99 C ATOM 524 OE1 GLN A 65 28.013 36.272 2.962 1.00 28.62 O ATOM 525 NE2 GLN A 65 26.177 35.859 4.284 1.00 40.93 N ATOM 526 N ALA A 66 24.970 35.759 -1.822 1.00 22.47 N ATOM 527 CA ALA A 66 25.568 35.848 -3.154 1.00 19.11 C ATOM 528 C ALA A 66 27.060 36.144 -3.083 1.00 18.24 C ATOM 529 O ALA A 66 27.826 35.641 -3.915 1.00 18.64 O ATOM 530 CB ALA A 66 24.857 36.961 -3.971 1.00 22.17 C ATOM 531 N SER A 67 27.467 36.956 -2.094 1.00 18.94 N ATOM 532 CA SER A 67 28.876 37.426 -1.899 1.00 20.39 C ATOM 533 C SER A 67 29.763 36.390 -1.145 1.00 20.18 C ATOM 534 O SER A 67 30.946 36.630 -0.899 1.00 23.50 O ATOM 535 CB SER A 67 28.880 38.695 -1.051 1.00 18.33 C ATOM 536 OG SER A 67 28.292 38.441 0.260 1.00 23.83 O ATOM 537 N PHE A 68 29.196 35.269 -0.706 1.00 19.87 N ATOM 538 CA PHE A 68 30.039 34.341 -0.010 1.00 19.45 C ATOM 539 C PHE A 68 31.180 33.872 -0.955 1.00 22.51 C ATOM 540 O PHE A 68 30.947 33.432 -2.122 1.00 24.95 O ATOM 541 CB PHE A 68 29.250 33.167 0.552 1.00 18.98 C ATOM 542 CG PHE A 68 30.116 32.192 1.249 1.00 21.32 C ATOM 543 CD1 PHE A 68 30.524 32.448 2.547 1.00 22.98 C ATOM 544 CD2 PHE A 68 30.625 31.070 0.572 1.00 17.42 C ATOM 545 CE1 PHE A 68 31.361 31.585 3.194 1.00 24.84 C ATOM 546 CE2 PHE A 68 31.469 30.204 1.227 1.00 23.72 C ATOM 547 CZ PHE A 68 31.830 30.478 2.548 1.00 18.77 C ATOM 548 N HIS A 69 32.409 33.965 -0.452 1.00 21.89 N ATOM 549 CA HIS A 69 33.515 33.245 -1.020 1.00 20.45 C ATOM 550 C HIS A 69 34.477 32.757 0.069 1.00 24.21 C ATOM 551 O HIS A 69 34.794 33.458 1.031 1.00 24.92 O ATOM 552 CB HIS A 69 34.291 34.175 -1.954 1.00 20.83 C ATOM 553 CG HIS A 69 35.462 33.519 -2.615 1.00 17.58 C ATOM 554 ND1 HIS A 69 35.344 32.822 -3.811 1.00 15.06 N ATOM 555 CD2 HIS A 69 36.744 33.368 -2.216 1.00 7.04 C ATOM 556 CE1 HIS A 69 36.511 32.315 -4.144 1.00 4.42 C ATOM 557 NE2 HIS A 69 37.371 32.605 -3.179 1.00 9.84 N ATOM 558 N HIS A 70 35.008 31.562 -0.120 1.00 25.74 N ATOM 559 CA HIS A 70 36.215 31.229 0.560 1.00 20.39 C ATOM 560 C HIS A 70 37.001 30.354 -0.373 1.00 21.98 C ATOM 561 O HIS A 70 36.420 29.461 -1.026 1.00 25.47 O ATOM 562 CB HIS A 70 35.919 30.602 1.938 1.00 21.54 C ATOM 563 CG HIS A 70 37.128 30.506 2.801 1.00 18.52 C ATOM 564 ND1 HIS A 70 38.162 29.620 2.529 1.00 27.18 N ATOM 565 CD2 HIS A 70 37.532 31.251 3.845 1.00 10.87 C ATOM 566 CE1 HIS A 70 39.109 29.769 3.434 1.00 14.49 C ATOM 567 NE2 HIS A 70 38.771 30.782 4.218 1.00 16.46 N ATOM 568 N GLU A 71 38.287 30.693 -0.557 1.00 22.55 N ATOM 569 CA GLU A 71 39.262 29.920 -1.355 1.00 23.20 C ATOM 570 C GLU A 71 39.188 28.430 -0.877 1.00 25.36 C ATOM 571 O GLU A 71 39.245 28.176 0.352 1.00 27.34 O ATOM 572 CB GLU A 71 40.658 30.441 -1.029 1.00 23.72 C ATOM 573 CG GLU A 71 41.271 31.635 -1.882 1.00 36.69 C ATOM 574 CD GLU A 71 40.952 31.584 -3.407 1.00 45.58 C ATOM 575 OE1 GLU A 71 39.830 31.936 -3.815 1.00 48.39 O ATOM 576 OE2 GLU A 71 41.843 31.243 -4.223 1.00 45.84 O ATOM 577 N GLY A 72 39.055 27.467 -1.810 1.00 25.56 N ATOM 578 CA GLY A 72 38.937 26.001 -1.484 1.00 19.67 C ATOM 579 C GLY A 72 37.562 25.521 -1.025 1.00 21.31 C ATOM 580 O GLY A 72 37.388 24.391 -0.560 1.00 20.84 O ATOM 581 N VAL A 73 36.577 26.411 -1.087 1.00 22.37 N ATOM 582 CA VAL A 73 35.191 26.053 -0.828 1.00 21.47 C ATOM 583 C VAL A 73 34.415 26.237 -2.152 1.00 23.58 C ATOM 584 O VAL A 73 34.460 27.335 -2.762 1.00 21.65 O ATOM 585 CB VAL A 73 34.643 26.904 0.351 1.00 22.05 C ATOM 586 CG1 VAL A 73 33.177 26.664 0.593 1.00 18.91 C ATOM 587 CG2 VAL A 73 35.481 26.652 1.578 1.00 14.62 C ATOM 588 N ASP A 74 33.738 25.163 -2.606 1.00 21.71 N ATOM 589 CA ASP A 74 32.658 25.242 -3.626 1.00 23.20 C ATOM 590 C ASP A 74 31.362 25.609 -2.942 1.00 22.76 C ATOM 591 O ASP A 74 31.116 25.147 -1.857 1.00 29.13 O ATOM 592 CB ASP A 74 32.477 23.901 -4.415 1.00 23.36 C ATOM 593 CG ASP A 74 33.772 23.439 -5.111 1.00 27.93 C ATOM 594 OD1 ASP A 74 34.480 24.351 -5.541 1.00 26.94 O ATOM 595 OD2 ASP A 74 34.092 22.203 -5.247 1.00 31.66 O ATOM 596 N VAL A 75 30.551 26.467 -3.553 1.00 26.38 N ATOM 597 CA VAL A 75 29.264 26.960 -3.006 1.00 22.69 C ATOM 598 C VAL A 75 28.120 26.373 -3.847 1.00 25.22 C ATOM 599 O VAL A 75 28.301 26.139 -5.032 1.00 26.19 O ATOM 600 CB VAL A 75 29.192 28.449 -3.123 1.00 24.94 C ATOM 601 CG1 VAL A 75 27.760 28.908 -2.891 1.00 18.52 C ATOM 602 CG2 VAL A 75 30.265 29.122 -2.221 1.00 20.28 C ATOM 603 N ILE A 76 27.021 25.990 -3.180 1.00 24.91 N ATOM 604 CA ILE A 76 25.739 25.680 -3.746 1.00 17.89 C ATOM 605 C ILE A 76 24.695 26.593 -3.085 1.00 20.34 C ATOM 606 O ILE A 76 24.902 27.093 -1.937 1.00 16.64 O ATOM 607 CB ILE A 76 25.335 24.233 -3.587 1.00 20.21 C ATOM 608 CG1 ILE A 76 25.200 23.835 -2.121 1.00 19.95 C ATOM 609 CG2 ILE A 76 26.249 23.314 -4.338 1.00 14.73 C ATOM 610 CD1 ILE A 76 24.823 22.336 -1.948 1.00 20.73 C ATOM 611 N ASN A 77 23.589 26.854 -3.809 1.00 19.78 N ATOM 612 CA ASN A 77 22.625 27.851 -3.326 1.00 27.28 C ATOM 613 C ASN A 77 21.321 27.219 -2.981 1.00 25.24 C ATOM 614 O ASN A 77 20.531 27.846 -2.285 1.00 28.25 O ATOM 615 CB ASN A 77 22.372 29.044 -4.278 1.00 23.42 C ATOM 616 CG ASN A 77 23.613 29.788 -4.614 1.00 32.80 C ATOM 617 OD1 ASN A 77 24.012 29.854 -5.803 1.00 32.83 O ATOM 618 ND2 ASN A 77 24.257 30.382 -3.575 1.00 32.37 N ATOM 619 N SER A 78 21.108 25.995 -3.453 1.00 26.15 N ATOM 620 CA SER A 78 19.877 25.269 -3.108 1.00 31.32 C ATOM 621 C SER A 78 20.077 23.807 -2.738 1.00 28.00 C ATOM 622 O SER A 78 20.929 23.184 -3.287 1.00 28.09 O ATOM 623 CB SER A 78 18.924 25.277 -4.329 1.00 33.16 C ATOM 624 OG SER A 78 19.480 24.450 -5.321 1.00 41.64 O ATOM 625 N LEU A 79 19.193 23.245 -1.906 1.00 31.38 N ATOM 626 CA LEU A 79 19.097 21.757 -1.718 1.00 33.30 C ATOM 627 C LEU A 79 19.275 20.886 -2.946 1.00 31.97 C ATOM 628 O LEU A 79 20.033 19.914 -2.910 1.00 34.62 O ATOM 629 CB LEU A 79 17.869 21.340 -0.850 1.00 33.51 C ATOM 630 CG LEU A 79 18.134 22.112 0.456 1.00 31.40 C ATOM 631 CD1 LEU A 79 16.907 22.510 1.306 1.00 34.80 C ATOM 632 CD2 LEU A 79 19.279 21.519 1.221 1.00 25.55 C ATOM 633 N ASP A 80 18.619 21.265 -4.037 1.00 29.21 N ATOM 634 CA ASP A 80 18.527 20.465 -5.239 1.00 32.01 C ATOM 635 C ASP A 80 19.922 20.170 -5.784 1.00 32.98 C ATOM 636 O ASP A 80 20.117 19.197 -6.524 1.00 36.58 O ATOM 637 CB ASP A 80 17.737 21.218 -6.342 0.50 32.34 C ATOM 638 CG ASP A 80 16.327 21.556 -5.931 0.50 36.42 C ATOM 639 OD1 ASP A 80 15.706 20.772 -5.167 0.50 34.59 O ATOM 640 OD2 ASP A 80 15.835 22.612 -6.378 0.50 39.93 O ATOM 641 N GLU A 81 20.904 21.021 -5.505 1.00 33.28 N ATOM 642 CA GLU A 81 22.162 20.821 -6.256 1.00 32.15 C ATOM 643 C GLU A 81 23.049 19.765 -5.596 1.00 31.12 C ATOM 644 O GLU A 81 24.016 19.356 -6.206 1.00 33.57 O ATOM 645 CB GLU A 81 22.984 22.112 -6.491 1.00 33.13 C ATOM 646 CG GLU A 81 22.244 23.401 -6.766 1.00 34.03 C ATOM 647 CD GLU A 81 23.214 24.570 -6.849 1.00 32.87 C ATOM 648 OE1 GLU A 81 24.261 24.401 -7.514 1.00 41.04 O ATOM 649 OE2 GLU A 81 22.951 25.638 -6.253 1.00 26.74 O ATOM 650 N ILE A 82 22.715 19.392 -4.351 1.00 28.94 N ATOM 651 CA ILE A 82 23.409 18.415 -3.554 1.00 28.07 C ATOM 652 C ILE A 82 23.300 17.011 -4.214 1.00 31.11 C ATOM 653 O ILE A 82 24.272 16.210 -4.184 1.00 26.22 O ATOM 654 CB ILE A 82 22.771 18.348 -2.100 1.00 28.02 C ATOM 655 CG1 ILE A 82 22.906 19.677 -1.361 1.00 29.20 C ATOM 656 CG2 ILE A 82 23.391 17.213 -1.264 1.00 27.19 C ATOM 657 CD1 ILE A 82 22.277 19.686 0.005 1.00 25.60 C ATOM 658 N LYS A 83 22.102 16.715 -4.776 1.00 34.71 N ATOM 659 CA LYS A 83 21.807 15.424 -5.465 1.00 33.49 C ATOM 660 C LYS A 83 22.614 15.347 -6.768 1.00 36.05 C ATOM 661 O LYS A 83 22.910 14.253 -7.251 1.00 33.53 O ATOM 662 CB LYS A 83 20.312 15.200 -5.685 0.50 34.50 C ATOM 663 CG LYS A 83 19.564 14.764 -4.424 0.50 39.28 C ATOM 664 CD LYS A 83 18.348 13.888 -4.742 0.50 47.57 C ATOM 665 CE LYS A 83 18.196 12.742 -3.708 0.50 47.60 C ATOM 666 NZ LYS A 83 17.226 11.671 -4.122 0.50 46.30 N ATOM 667 N GLU A 84 23.059 16.507 -7.269 1.00 38.27 N ATOM 668 CA GLU A 84 23.991 16.594 -8.441 1.00 39.37 C ATOM 669 C GLU A 84 25.511 16.483 -8.134 1.00 39.01 C ATOM 670 O GLU A 84 26.352 16.549 -9.060 1.00 41.66 O ATOM 671 CB GLU A 84 23.733 17.882 -9.249 0.50 38.16 C ATOM 672 CG GLU A 84 22.294 18.026 -9.724 0.50 43.08 C ATOM 673 CD GLU A 84 21.930 19.462 -10.077 0.50 52.34 C ATOM 674 OE1 GLU A 84 22.625 20.056 -10.933 0.50 54.66 O ATOM 675 OE2 GLU A 84 20.947 19.997 -9.507 0.50 52.01 O ATOM 676 N LEU A 85 25.893 16.340 -6.868 1.00 32.68 N ATOM 677 CA LEU A 85 27.310 16.359 -6.581 1.00 29.59 C ATOM 678 C LEU A 85 27.848 14.975 -6.844 1.00 29.36 C ATOM 679 O LEU A 85 27.181 13.984 -6.570 1.00 28.06 O ATOM 680 CB LEU A 85 27.601 16.819 -5.139 1.00 29.14 C ATOM 681 CG LEU A 85 27.237 18.266 -4.767 1.00 25.77 C ATOM 682 CD1 LEU A 85 27.377 18.457 -3.255 1.00 20.61 C ATOM 683 CD2 LEU A 85 28.035 19.305 -5.502 1.00 15.55 C ATOM 684 N SER A 86 29.053 14.868 -7.378 1.00 26.89 N ATOM 685 CA SER A 86 29.546 13.543 -7.632 1.00 24.40 C ATOM 686 C SER A 86 30.260 12.885 -6.434 1.00 24.45 C ATOM 687 O SER A 86 30.693 13.580 -5.508 1.00 26.70 O ATOM 688 CB SER A 86 30.386 13.575 -8.928 1.00 26.27 C ATOM 689 OG SER A 86 31.658 14.182 -8.721 1.00 33.11 O ATOM 690 N GLY A 87 30.433 11.560 -6.481 1.00 23.46 N ATOM 691 CA GLY A 87 31.201 10.773 -5.494 1.00 20.98 C ATOM 692 C GLY A 87 30.400 10.492 -4.231 1.00 18.33 C ATOM 693 O GLY A 87 29.174 10.517 -4.252 1.00 22.47 O ATOM 694 N HIS A 88 31.076 10.209 -3.133 1.00 18.41 N ATOM 695 CA HIS A 88 30.393 10.027 -1.829 1.00 18.13 C ATOM 696 C HIS A 88 30.228 11.375 -1.107 1.00 16.94 C ATOM 697 O HIS A 88 31.192 11.966 -0.698 1.00 16.28 O ATOM 698 CB HIS A 88 31.158 9.066 -0.950 1.00 17.06 C ATOM 699 CG HIS A 88 30.363 8.467 0.192 1.00 17.40 C ATOM 700 ND1 HIS A 88 30.780 7.323 0.854 1.00 18.68 N ATOM 701 CD2 HIS A 88 29.202 8.841 0.796 1.00 18.55 C ATOM 702 CE1 HIS A 88 29.895 7.002 1.794 1.00 16.58 C ATOM 703 NE2 HIS A 88 28.931 7.911 1.788 1.00 14.42 N ATOM 704 N VAL A 89 28.991 11.856 -1.027 1.00 16.86 N ATOM 705 CA VAL A 89 28.680 13.113 -0.394 1.00 20.70 C ATOM 706 C VAL A 89 28.112 12.932 1.029 1.00 21.02 C ATOM 707 O VAL A 89 27.163 12.178 1.260 1.00 17.33 O ATOM 708 CB VAL A 89 27.713 13.933 -1.300 1.00 19.67 C ATOM 709 CG1 VAL A 89 27.282 15.206 -0.648 1.00 19.59 C ATOM 710 CG2 VAL A 89 28.327 14.177 -2.641 1.00 13.72 C ATOM 711 N PHE A 90 28.735 13.635 1.975 1.00 22.34 N ATOM 712 CA PHE A 90 28.335 13.645 3.366 1.00 17.55 C ATOM 713 C PHE A 90 27.691 14.991 3.711 1.00 18.24 C ATOM 714 O PHE A 90 28.116 16.027 3.255 1.00 16.21 O ATOM 715 CB PHE A 90 29.550 13.377 4.259 1.00 16.57 C ATOM 716 CG PHE A 90 30.115 11.978 4.121 1.00 19.78 C ATOM 717 CD1 PHE A 90 29.670 10.948 4.931 1.00 14.94 C ATOM 718 CD2 PHE A 90 31.110 11.709 3.204 1.00 13.83 C ATOM 719 CE1 PHE A 90 30.196 9.668 4.802 1.00 18.14 C ATOM 720 CE2 PHE A 90 31.652 10.459 3.089 1.00 16.43 C ATOM 721 CZ PHE A 90 31.190 9.416 3.899 1.00 13.29 C ATOM 722 N ILE A 91 26.655 14.949 4.525 1.00 17.51 N ATOM 723 CA ILE A 91 25.821 16.091 4.803 1.00 18.55 C ATOM 724 C ILE A 91 25.912 16.336 6.308 1.00 18.48 C ATOM 725 O ILE A 91 25.529 15.494 7.098 1.00 18.17 O ATOM 726 CB ILE A 91 24.299 15.832 4.365 1.00 21.18 C ATOM 727 CG1 ILE A 91 24.157 15.928 2.823 1.00 18.09 C ATOM 728 CG2 ILE A 91 23.306 16.741 5.155 1.00 17.07 C ATOM 729 CD1 ILE A 91 22.868 15.431 2.360 1.00 39.74 C ATOM 730 N PHE A 92 26.399 17.516 6.671 1.00 20.60 N ATOM 731 CA PHE A 92 26.852 17.846 7.996 1.00 26.38 C ATOM 732 C PHE A 92 26.345 19.304 8.328 1.00 26.33 C ATOM 733 O PHE A 92 26.782 20.264 7.708 1.00 26.36 O ATOM 734 CB PHE A 92 28.385 17.767 7.979 1.00 26.79 C ATOM 735 CG PHE A 92 28.996 17.930 9.303 1.00 30.50 C ATOM 736 CD1 PHE A 92 28.599 17.092 10.363 1.00 28.39 C ATOM 737 CD2 PHE A 92 29.973 18.911 9.524 1.00 38.43 C ATOM 738 CE1 PHE A 92 29.171 17.232 11.648 1.00 26.36 C ATOM 739 CE2 PHE A 92 30.557 19.075 10.804 1.00 37.24 C ATOM 740 CZ PHE A 92 30.151 18.236 11.868 1.00 31.09 C ATOM 741 N GLY A 93 25.433 19.472 9.286 1.00 28.02 N ATOM 742 CA GLY A 93 24.853 20.817 9.601 1.00 27.82 C ATOM 743 C GLY A 93 24.534 20.761 11.071 1.00 29.45 C ATOM 744 O GLY A 93 25.428 20.604 11.886 1.00 38.30 O ATOM 745 N GLY A 94 23.282 20.827 11.463 1.00 28.49 N ATOM 746 CA GLY A 94 22.337 21.799 11.018 1.00 21.62 C ATOM 747 C GLY A 94 20.996 21.113 10.930 1.00 22.11 C ATOM 748 O GLY A 94 20.659 20.529 9.879 1.00 20.03 O ATOM 749 N GLN A 95 20.217 21.190 12.001 1.00 21.65 N ATOM 750 CA GLN A 95 18.818 20.777 11.979 1.00 24.43 C ATOM 751 C GLN A 95 17.930 20.970 10.726 1.00 26.31 C ATOM 752 O GLN A 95 17.236 20.035 10.256 1.00 31.66 O ATOM 753 CB GLN A 95 18.048 21.225 13.225 1.00 25.92 C ATOM 754 CG GLN A 95 16.518 20.995 13.021 1.00 22.91 C ATOM 755 CD GLN A 95 15.592 21.325 14.199 1.00 26.07 C ATOM 756 OE1 GLN A 95 16.001 21.747 15.266 1.00 28.08 O ATOM 757 NE2 GLN A 95 14.303 21.083 13.981 1.00 25.49 N ATOM 758 N THR A 96 17.865 22.157 10.173 1.00 28.73 N ATOM 759 CA THR A 96 17.043 22.305 8.953 1.00 27.33 C ATOM 760 C THR A 96 17.673 21.577 7.720 1.00 24.53 C ATOM 761 O THR A 96 16.986 21.128 6.820 1.00 29.49 O ATOM 762 CB THR A 96 16.716 23.826 8.664 1.00 31.10 C ATOM 763 OG1 THR A 96 17.937 24.524 8.586 1.00 31.13 O ATOM 764 CG2 THR A 96 15.911 24.488 9.848 1.00 32.66 C ATOM 765 N LEU A 97 18.978 21.445 7.677 1.00 19.73 N ATOM 766 CA LEU A 97 19.612 20.688 6.581 1.00 20.84 C ATOM 767 C LEU A 97 19.288 19.202 6.729 1.00 19.37 C ATOM 768 O LEU A 97 18.952 18.568 5.777 1.00 26.36 O ATOM 769 CB LEU A 97 21.139 20.906 6.621 1.00 15.63 C ATOM 770 CG LEU A 97 22.045 20.116 5.720 1.00 22.54 C ATOM 771 CD1 LEU A 97 21.679 20.337 4.302 1.00 22.67 C ATOM 772 CD2 LEU A 97 23.455 20.595 5.923 1.00 9.86 C ATOM 773 N TYR A 98 19.332 18.661 7.940 1.00 16.45 N ATOM 774 CA TYR A 98 18.905 17.291 8.223 1.00 18.16 C ATOM 775 C TYR A 98 17.412 16.998 7.946 1.00 20.33 C ATOM 776 O TYR A 98 17.104 15.946 7.374 1.00 19.01 O ATOM 777 CB TYR A 98 19.191 16.953 9.685 1.00 18.37 C ATOM 778 CG TYR A 98 20.649 16.965 10.022 1.00 17.96 C ATOM 779 CD1 TYR A 98 21.106 17.526 11.222 1.00 20.18 C ATOM 780 CD2 TYR A 98 21.593 16.418 9.137 1.00 19.29 C ATOM 781 CE1 TYR A 98 22.517 17.510 11.549 1.00 10.21 C ATOM 782 CE2 TYR A 98 22.940 16.385 9.459 1.00 11.24 C ATOM 783 CZ TYR A 98 23.396 16.928 10.654 1.00 14.03 C ATOM 784 OH TYR A 98 24.765 16.909 10.940 1.00 11.69 O ATOM 785 N GLU A 99 16.491 17.899 8.338 1.00 19.53 N ATOM 786 CA GLU A 99 15.066 17.745 7.957 1.00 21.85 C ATOM 787 C GLU A 99 14.826 17.750 6.454 1.00 24.06 C ATOM 788 O GLU A 99 13.949 17.018 5.960 1.00 26.84 O ATOM 789 CB GLU A 99 14.210 18.844 8.590 1.00 21.78 C ATOM 790 CG GLU A 99 14.348 18.787 10.040 1.00 19.25 C ATOM 791 CD GLU A 99 13.565 19.857 10.739 1.00 32.90 C ATOM 792 OE1 GLU A 99 13.034 20.768 10.070 1.00 32.60 O ATOM 793 OE2 GLU A 99 13.522 19.800 11.982 1.00 30.87 O ATOM 794 N ALA A 100 15.616 18.565 5.737 1.00 22.75 N ATOM 795 CA ALA A 100 15.477 18.732 4.303 1.00 20.54 C ATOM 796 C ALA A 100 16.010 17.516 3.573 1.00 24.67 C ATOM 797 O ALA A 100 15.476 17.145 2.490 1.00 29.38 O ATOM 798 CB ALA A 100 16.195 20.036 3.821 1.00 17.93 C ATOM 799 N MET A 101 17.042 16.902 4.154 1.00 22.70 N ATOM 800 CA MET A 101 17.807 15.874 3.502 1.00 23.94 C ATOM 801 C MET A 101 17.498 14.481 3.983 1.00 24.01 C ATOM 802 O MET A 101 17.782 13.521 3.244 1.00 22.45 O ATOM 803 CB MET A 101 19.326 16.146 3.593 1.00 25.93 C ATOM 804 CG MET A 101 19.800 17.313 2.686 1.00 26.38 C ATOM 805 SD MET A 101 19.158 17.281 0.986 1.00 28.38 S ATOM 806 CE MET A 101 19.923 15.818 0.468 1.00 19.29 C ATOM 807 N ILE A 102 16.930 14.335 5.195 1.00 23.12 N ATOM 808 CA ILE A 102 16.716 12.953 5.741 1.00 24.44 C ATOM 809 C ILE A 102 15.956 11.943 4.829 1.00 24.29 C ATOM 810 O ILE A 102 16.302 10.778 4.813 1.00 23.67 O ATOM 811 CB ILE A 102 16.128 12.889 7.183 1.00 24.84 C ATOM 812 CG1 ILE A 102 16.225 11.443 7.704 1.00 23.87 C ATOM 813 CG2 ILE A 102 14.650 13.338 7.192 1.00 15.38 C ATOM 814 CD1 ILE A 102 16.027 11.306 9.206 1.00 22.42 C ATOM 815 N AASP A 103 14.929 12.348 4.080 0.50 23.78 N ATOM 816 CA AASP A 103 14.272 11.401 3.165 0.50 23.78 C ATOM 817 C AASP A 103 14.964 11.284 1.809 0.50 24.20 C ATOM 818 O AASP A 103 14.574 10.488 0.967 0.50 23.29 O ATOM 819 CB AASP A 103 12.784 11.738 2.985 0.50 23.31 C ATOM 820 CG AASP A 103 12.021 11.594 4.280 0.50 27.22 C ATOM 821 OD1AASP A 103 12.019 10.477 4.850 0.50 25.99 O ATOM 822 OD2AASP A 103 11.472 12.601 4.753 0.50 31.73 O ATOM 823 N BASP A 103 14.948 12.496 4.137 0.50 24.03 N ATOM 824 CA BASP A 103 14.082 11.876 3.145 0.50 24.40 C ATOM 825 C BASP A 103 14.782 11.552 1.800 0.50 24.35 C ATOM 826 O BASP A 103 14.218 10.839 0.979 0.50 21.98 O ATOM 827 CB BASP A 103 12.833 12.789 2.908 0.50 22.32 C ATOM 828 CG BASP A 103 13.168 14.343 2.942 0.50 27.79 C ATOM 829 OD1BASP A 103 13.553 14.893 4.012 0.50 10.94 O ATOM 830 OD2BASP A 103 12.996 15.037 1.893 0.50 24.24 O ATOM 831 N GLN A 104 15.992 12.096 1.588 1.00 24.93 N ATOM 832 CA GLN A 104 16.735 12.015 0.334 1.00 23.22 C ATOM 833 C GLN A 104 17.980 11.120 0.457 1.00 20.95 C ATOM 834 O GLN A 104 18.408 10.526 -0.499 1.00 30.81 O ATOM 835 CB GLN A 104 17.148 13.432 -0.072 1.00 24.64 C ATOM 836 CG GLN A 104 16.438 14.041 -1.260 1.00 35.31 C ATOM 837 CD GLN A 104 15.111 14.607 -0.851 1.00 56.14 C ATOM 838 OE1 GLN A 104 15.031 15.401 0.088 1.00 66.49 O ATOM 839 NE2 GLN A 104 14.042 14.174 -1.518 1.00 60.33 N ATOM 840 N VAL A 105 18.597 11.017 1.619 1.00 19.53 N ATOM 841 CA VAL A 105 19.875 10.318 1.736 1.00 13.17 C ATOM 842 C VAL A 105 19.785 8.776 1.607 1.00 15.59 C ATOM 843 O VAL A 105 18.733 8.187 1.826 1.00 18.86 O ATOM 844 CB VAL A 105 20.595 10.751 3.001 1.00 13.37 C ATOM 845 CG1 VAL A 105 21.019 12.344 3.023 1.00 11.04 C ATOM 846 CG2 VAL A 105 19.907 10.204 4.292 1.00 7.66 C ATOM 847 N ASP A 106 20.882 8.109 1.254 1.00 14.02 N ATOM 848 CA ASP A 106 20.906 6.662 1.163 1.00 12.34 C ATOM 849 C ASP A 106 21.181 6.102 2.568 1.00 17.05 C ATOM 850 O ASP A 106 20.893 4.931 2.886 1.00 19.58 O ATOM 851 CB ASP A 106 22.089 6.204 0.235 1.00 9.92 C ATOM 852 CG ASP A 106 21.952 6.715 -1.124 0.50 7.66 C ATOM 853 OD1 ASP A 106 20.822 6.623 -1.630 0.50 11.24 O ATOM 854 OD2 ASP A 106 22.931 7.243 -1.657 0.50 5.90 O ATOM 855 N ASP A 107 21.859 6.874 3.385 1.00 15.51 N ATOM 856 CA ASP A 107 22.350 6.302 4.639 1.00 18.51 C ATOM 857 C ASP A 107 22.769 7.354 5.619 1.00 16.00 C ATOM 858 O ASP A 107 22.745 8.507 5.259 1.00 17.44 O ATOM 859 CB ASP A 107 23.351 5.134 4.437 1.00 17.34 C ATOM 860 CG ASP A 107 24.705 5.545 3.883 1.00 16.23 C ATOM 861 OD1 ASP A 107 24.904 6.685 3.408 1.00 23.59 O ATOM 862 OD2 ASP A 107 25.627 4.694 3.973 1.00 21.47 O ATOM 863 N MET A 108 23.062 6.956 6.857 1.00 17.54 N ATOM 864 CA MET A 108 23.174 7.827 8.017 1.00 12.44 C ATOM 865 C MET A 108 24.234 7.281 8.896 1.00 15.18 C ATOM 866 O MET A 108 24.184 6.086 9.250 1.00 18.47 O ATOM 867 CB MET A 108 21.831 7.882 8.817 1.00 17.94 C ATOM 868 CG MET A 108 20.757 8.746 8.108 1.00 8.30 C ATOM 869 SD MET A 108 19.349 9.398 8.958 1.00 14.22 S ATOM 870 CE MET A 108 18.867 7.821 9.679 1.00 6.61 C ATOM 871 N TYR A 109 25.196 8.142 9.297 1.00 14.67 N ATOM 872 CA TYR A 109 26.117 7.758 10.305 1.00 11.55 C ATOM 873 C TYR A 109 25.726 8.591 11.499 1.00 15.62 C ATOM 874 O TYR A 109 25.863 9.821 11.452 1.00 15.02 O ATOM 875 CB TYR A 109 27.573 8.094 9.885 1.00 15.19 C ATOM 876 CG TYR A 109 28.049 7.271 8.751 1.00 13.85 C ATOM 877 CD1 TYR A 109 27.773 7.649 7.417 1.00 16.98 C ATOM 878 CD2 TYR A 109 28.729 6.108 8.971 1.00 9.65 C ATOM 879 CE1 TYR A 109 28.170 6.854 6.366 1.00 12.74 C ATOM 880 CE2 TYR A 109 29.148 5.292 7.889 1.00 16.61 C ATOM 881 CZ TYR A 109 28.869 5.667 6.603 1.00 13.58 C ATOM 882 OH TYR A 109 29.298 4.885 5.526 1.00 20.13 O ATOM 883 N ILE A 110 25.286 7.929 12.568 1.00 13.34 N ATOM 884 CA ILE A 110 24.730 8.606 13.729 1.00 12.65 C ATOM 885 C ILE A 110 25.533 8.179 14.899 1.00 15.59 C ATOM 886 O ILE A 110 25.744 6.996 15.091 1.00 15.47 O ATOM 887 CB ILE A 110 23.220 8.264 13.976 1.00 16.73 C ATOM 888 CG1 ILE A 110 22.410 8.723 12.753 1.00 12.64 C ATOM 889 CG2 ILE A 110 22.692 9.071 15.222 1.00 11.27 C ATOM 890 CD1 ILE A 110 21.029 8.078 12.568 1.00 12.76 C ATOM 891 N THR A 111 26.116 9.134 15.609 1.00 17.87 N ATOM 892 CA THR A 111 26.660 8.861 16.933 1.00 20.67 C ATOM 893 C THR A 111 25.585 9.121 18.012 1.00 22.38 C ATOM 894 O THR A 111 25.114 10.224 18.122 1.00 17.09 O ATOM 895 CB THR A 111 27.819 9.763 17.225 1.00 20.48 C ATOM 896 OG1 THR A 111 28.849 9.493 16.256 1.00 23.91 O ATOM 897 CG2 THR A 111 28.329 9.422 18.573 1.00 20.22 C ATOM 898 N VAL A 112 25.189 8.095 18.765 1.00 24.38 N ATOM 899 CA VAL A 112 24.112 8.242 19.750 1.00 26.78 C ATOM 900 C VAL A 112 24.662 8.106 21.147 1.00 28.13 C ATOM 901 O VAL A 112 25.440 7.226 21.481 1.00 27.03 O ATOM 902 CB VAL A 112 22.908 7.216 19.644 1.00 24.84 C ATOM 903 CG1 VAL A 112 21.823 7.739 20.559 1.00 24.87 C ATOM 904 CG2 VAL A 112 22.364 7.150 18.221 1.00 28.58 C ATOM 905 N ILE A 113 24.178 8.995 21.972 1.00 35.85 N ATOM 906 CA ILE A 113 24.556 9.135 23.377 1.00 37.97 C ATOM 907 C ILE A 113 23.461 8.487 24.341 1.00 41.56 C ATOM 908 O ILE A 113 22.213 8.609 24.183 1.00 40.81 O ATOM 909 CB ILE A 113 24.988 10.624 23.593 1.00 33.87 C ATOM 910 CG1 ILE A 113 26.473 10.832 23.345 1.00 28.26 C ATOM 911 CG2 ILE A 113 24.276 11.380 24.651 1.00 32.52 C ATOM 912 CD1 ILE A 113 26.749 11.742 22.201 1.00 32.12 C ATOM 913 N ASP A 114 23.953 7.710 25.292 1.00 43.50 N ATOM 914 CA ASP A 114 23.224 7.440 26.515 1.00 42.74 C ATOM 915 C ASP A 114 23.491 8.650 27.504 1.00 39.71 C ATOM 916 O ASP A 114 24.496 8.702 28.189 1.00 41.48 O ATOM 917 CB ASP A 114 23.626 6.021 27.012 1.00 41.33 C ATOM 918 CG ASP A 114 22.815 5.543 28.218 1.00 46.19 C ATOM 919 OD1 ASP A 114 21.715 6.095 28.452 1.00 47.40 O ATOM 920 OD2 ASP A 114 23.291 4.605 28.926 1.00 54.42 O ATOM 921 N GLY A 115 22.578 9.614 27.531 1.00 38.41 N ATOM 922 CA GLY A 115 22.831 10.924 28.094 1.00 39.93 C ATOM 923 C GLY A 115 22.068 12.072 27.391 1.00 41.00 C ATOM 924 O GLY A 115 21.177 11.847 26.500 1.00 29.01 O ATOM 925 N LYS A 116 22.462 13.299 27.806 1.00 39.89 N ATOM 926 CA LYS A 116 21.708 14.532 27.591 1.00 38.06 C ATOM 927 C LYS A 116 22.667 15.539 27.027 1.00 36.05 C ATOM 928 O LYS A 116 23.847 15.508 27.386 1.00 35.80 O ATOM 929 CB LYS A 116 21.042 15.038 28.880 0.50 35.91 C ATOM 930 CG LYS A 116 19.609 14.503 29.025 0.50 37.36 C ATOM 931 CD LYS A 116 18.605 15.623 29.187 0.50 39.45 C ATOM 932 CE LYS A 116 17.212 15.172 28.805 0.50 39.82 C ATOM 933 NZ LYS A 116 16.543 14.535 29.974 0.50 43.71 N ATOM 934 N PHE A 117 22.183 16.352 26.078 1.00 34.40 N ATOM 935 CA PHE A 117 22.815 17.617 25.666 1.00 34.33 C ATOM 936 C PHE A 117 21.866 18.745 25.995 1.00 35.29 C ATOM 937 O PHE A 117 20.649 18.554 26.132 1.00 32.36 O ATOM 938 CB PHE A 117 23.054 17.712 24.133 1.00 34.26 C ATOM 939 CG PHE A 117 24.130 16.819 23.595 1.00 32.49 C ATOM 940 CD1 PHE A 117 25.439 16.928 24.028 1.00 39.59 C ATOM 941 CD2 PHE A 117 23.832 15.890 22.592 1.00 28.35 C ATOM 942 CE1 PHE A 117 26.441 16.067 23.480 1.00 36.84 C ATOM 943 CE2 PHE A 117 24.819 15.043 22.035 1.00 20.51 C ATOM 944 CZ PHE A 117 26.118 15.126 22.495 1.00 30.82 C ATOM 945 N GLN A 118 22.445 19.942 25.972 1.00 41.40 N ATOM 946 CA GLN A 118 21.830 21.198 26.394 1.00 42.80 C ATOM 947 C GLN A 118 21.013 21.908 25.319 1.00 44.02 C ATOM 948 O GLN A 118 20.070 22.626 25.661 1.00 47.26 O ATOM 949 CB GLN A 118 22.936 22.159 26.865 0.50 41.46 C ATOM 950 CG GLN A 118 23.621 21.686 28.099 0.50 35.82 C ATOM 951 CD GLN A 118 22.632 21.352 29.170 0.50 32.80 C ATOM 952 OE1 GLN A 118 21.547 21.913 29.215 0.50 23.74 O ATOM 953 NE2 GLN A 118 22.987 20.420 30.030 0.50 35.42 N ATOM 954 N GLY A 119 21.386 21.765 24.047 1.00 41.06 N ATOM 955 CA GLY A 119 20.644 22.424 22.956 1.00 39.62 C ATOM 956 C GLY A 119 19.106 22.489 22.867 1.00 41.12 C ATOM 957 O GLY A 119 18.356 21.925 23.695 1.00 39.13 O ATOM 958 N ASP A 120 18.649 23.218 21.827 1.00 43.40 N ATOM 959 CA ASP A 120 17.236 23.460 21.501 1.00 41.08 C ATOM 960 C ASP A 120 17.021 22.925 20.070 1.00 40.36 C ATOM 961 O ASP A 120 16.002 23.233 19.426 1.00 38.89 O ATOM 962 CB ASP A 120 16.925 24.989 21.434 1.00 43.44 C ATOM 963 CG ASP A 120 17.248 25.758 22.730 0.50 47.67 C ATOM 964 OD1 ASP A 120 17.139 25.203 23.856 0.50 53.01 O ATOM 965 OD2 ASP A 120 17.581 26.962 22.615 0.50 45.39 O ATOM 966 N THR A 121 17.992 22.156 19.553 1.00 37.90 N ATOM 967 CA THR A 121 18.029 21.759 18.115 1.00 32.09 C ATOM 968 C THR A 121 17.951 20.232 17.914 1.00 26.22 C ATOM 969 O THR A 121 18.566 19.489 18.675 1.00 25.15 O ATOM 970 CB THR A 121 19.253 22.458 17.468 1.00 33.04 C ATOM 971 OG1 THR A 121 18.802 23.580 16.712 1.00 36.96 O ATOM 972 CG2 THR A 121 20.018 21.586 16.588 1.00 30.49 C ATOM 973 N PHE A 122 17.146 19.755 16.967 1.00 22.58 N ATOM 974 CA PHE A 122 16.778 18.336 16.915 1.00 25.27 C ATOM 975 C PHE A 122 17.022 17.679 15.541 1.00 27.87 C ATOM 976 O PHE A 122 16.533 18.190 14.521 1.00 27.72 O ATOM 977 CB PHE A 122 15.281 18.097 17.307 1.00 24.89 C ATOM 978 CG PHE A 122 14.949 18.555 18.697 1.00 30.94 C ATOM 979 CD1 PHE A 122 14.917 17.648 19.776 1.00 16.77 C ATOM 980 CD2 PHE A 122 14.719 19.911 18.937 1.00 29.25 C ATOM 981 CE1 PHE A 122 14.664 18.072 21.038 1.00 27.59 C ATOM 982 CE2 PHE A 122 14.448 20.359 20.218 1.00 33.68 C ATOM 983 CZ PHE A 122 14.423 19.442 21.281 1.00 24.30 C ATOM 984 N PHE A 123 17.692 16.510 15.541 1.00 23.69 N ATOM 985 CA PHE A 123 17.631 15.569 14.437 1.00 19.50 C ATOM 986 C PHE A 123 16.229 15.013 14.163 1.00 19.67 C ATOM 987 O PHE A 123 15.524 14.660 15.115 1.00 21.27 O ATOM 988 CB PHE A 123 18.653 14.438 14.654 1.00 18.61 C ATOM 989 CG PHE A 123 18.966 13.699 13.411 1.00 20.41 C ATOM 990 CD1 PHE A 123 19.707 14.315 12.389 1.00 17.24 C ATOM 991 CD2 PHE A 123 18.534 12.384 13.248 1.00 16.26 C ATOM 992 CE1 PHE A 123 19.967 13.637 11.207 1.00 8.93 C ATOM 993 CE2 PHE A 123 18.819 11.698 12.084 1.00 5.84 C ATOM 994 CZ PHE A 123 19.523 12.327 11.055 1.00 8.25 C ATOM 995 N PRO A 124 15.813 14.909 12.868 1.00 17.87 N ATOM 996 CA PRO A 124 14.502 14.322 12.562 1.00 19.31 C ATOM 997 C PRO A 124 14.321 12.807 13.005 1.00 21.98 C ATOM 998 O PRO A 124 15.273 12.064 13.156 1.00 21.32 O ATOM 999 CB PRO A 124 14.379 14.526 11.054 1.00 19.35 C ATOM 1000 CG PRO A 124 15.717 14.629 10.568 1.00 17.29 C ATOM 1001 CD PRO A 124 16.481 15.357 11.637 1.00 16.70 C ATOM 1002 N PRO A 125 13.089 12.420 13.355 1.00 21.76 N ATOM 1003 CA PRO A 125 12.746 11.063 13.741 1.00 22.16 C ATOM 1004 C PRO A 125 13.030 10.010 12.661 1.00 23.58 C ATOM 1005 O PRO A 125 12.782 10.276 11.464 1.00 25.47 O ATOM 1006 CB PRO A 125 11.265 11.142 14.007 1.00 16.86 C ATOM 1007 CG PRO A 125 10.983 12.504 14.141 1.00 24.02 C ATOM 1008 CD PRO A 125 11.949 13.335 13.450 1.00 18.10 C ATOM 1009 N TYR A 126 13.521 8.841 13.093 1.00 20.71 N ATOM 1010 CA TYR A 126 13.738 7.670 12.221 1.00 23.17 C ATOM 1011 C TYR A 126 13.415 6.375 12.965 1.00 23.38 C ATOM 1012 O TYR A 126 13.719 6.214 14.177 1.00 25.54 O ATOM 1013 CB TYR A 126 15.214 7.593 11.729 1.00 16.03 C ATOM 1014 CG TYR A 126 16.255 7.674 12.829 1.00 17.86 C ATOM 1015 CD1 TYR A 126 16.630 8.889 13.379 1.00 20.51 C ATOM 1016 CD2 TYR A 126 16.893 6.543 13.298 1.00 18.56 C ATOM 1017 CE1 TYR A 126 17.543 8.950 14.384 1.00 13.67 C ATOM 1018 CE2 TYR A 126 17.871 6.611 14.320 1.00 17.27 C ATOM 1019 CZ TYR A 126 18.193 7.824 14.847 1.00 19.28 C ATOM 1020 OH TYR A 126 19.181 7.912 15.847 1.00 15.41 O ATOM 1021 N THR A 127 12.828 5.444 12.234 1.00 22.44 N ATOM 1022 CA THR A 127 12.307 4.217 12.847 1.00 24.68 C ATOM 1023 C THR A 127 12.867 3.099 12.035 1.00 25.23 C ATOM 1024 O THR A 127 13.388 3.330 10.947 1.00 28.72 O ATOM 1025 CB THR A 127 10.711 4.187 13.059 1.00 16.21 C ATOM 1026 OG1 THR A 127 10.035 3.953 11.834 1.00 34.32 O ATOM 1027 CG2 THR A 127 10.220 5.525 13.579 1.00 23.69 C ATOM 1028 N PHE A 128 12.881 1.920 12.625 1.00 28.29 N ATOM 1029 CA PHE A 128 13.008 0.659 11.929 1.00 28.25 C ATOM 1030 C PHE A 128 11.988 0.468 10.725 1.00 31.48 C ATOM 1031 O PHE A 128 12.149 -0.417 9.889 1.00 27.79 O ATOM 1032 CB PHE A 128 12.866 -0.411 13.014 1.00 27.33 C ATOM 1033 CG PHE A 128 11.412 -0.595 13.581 1.00 30.89 C ATOM 1034 CD1 PHE A 128 11.166 -0.540 14.980 1.00 25.78 C ATOM 1035 CD2 PHE A 128 10.308 -0.861 12.709 1.00 25.92 C ATOM 1036 CE1 PHE A 128 9.856 -0.823 15.499 1.00 27.12 C ATOM 1037 CE2 PHE A 128 9.001 -1.097 13.176 1.00 21.29 C ATOM 1038 CZ PHE A 128 8.773 -1.068 14.585 1.00 30.36 C ATOM 1039 N GLU A 129 10.929 1.298 10.651 1.00 34.31 N ATOM 1040 CA GLU A 129 10.054 1.335 9.447 1.00 31.58 C ATOM 1041 C GLU A 129 10.934 1.478 8.175 1.00 33.11 C ATOM 1042 O GLU A 129 10.790 0.700 7.238 1.00 32.78 O ATOM 1043 CB GLU A 129 9.057 2.515 9.547 0.50 30.48 C ATOM 1044 CG GLU A 129 8.165 2.666 8.308 0.50 29.94 C ATOM 1045 CD GLU A 129 6.913 3.549 8.500 0.50 27.41 C ATOM 1046 OE1 GLU A 129 6.846 4.479 9.348 0.50 17.09 O ATOM 1047 OE2 GLU A 129 5.978 3.304 7.739 0.50 20.47 O ATOM 1048 N ASP A 130 11.864 2.454 8.190 1.00 27.66 N ATOM 1049 CA ASP A 130 12.495 3.007 7.009 1.00 23.98 C ATOM 1050 C ASP A 130 13.996 2.685 6.913 1.00 22.67 C ATOM 1051 O ASP A 130 14.559 2.652 5.814 1.00 20.37 O ATOM 1052 CB ASP A 130 12.314 4.521 6.993 1.00 29.57 C ATOM 1053 CG ASP A 130 10.840 4.951 6.937 1.00 31.78 C ATOM 1054 OD1 ASP A 130 10.175 4.714 5.908 1.00 40.10 O ATOM 1055 OD2 ASP A 130 10.355 5.548 7.916 1.00 36.98 O ATOM 1056 N TRP A 131 14.618 2.426 8.065 1.00 19.33 N ATOM 1057 CA TRP A 131 16.035 2.216 8.178 1.00 20.15 C ATOM 1058 C TRP A 131 16.387 0.869 8.773 1.00 21.01 C ATOM 1059 O TRP A 131 15.601 0.278 9.507 1.00 18.01 O ATOM 1060 CB TRP A 131 16.619 3.288 9.062 1.00 16.78 C ATOM 1061 CG TRP A 131 16.183 4.628 8.579 1.00 17.36 C ATOM 1062 CD1 TRP A 131 15.120 5.317 8.984 1.00 7.62 C ATOM 1063 CD2 TRP A 131 16.845 5.437 7.582 1.00 14.00 C ATOM 1064 NE1 TRP A 131 15.042 6.505 8.304 1.00 9.15 N ATOM 1065 CE2 TRP A 131 16.096 6.598 7.437 1.00 8.84 C ATOM 1066 CE3 TRP A 131 18.009 5.279 6.806 1.00 9.65 C ATOM 1067 CZ2 TRP A 131 16.459 7.615 6.543 1.00 13.46 C ATOM 1068 CZ3 TRP A 131 18.346 6.283 5.888 1.00 9.08 C ATOM 1069 CH2 TRP A 131 17.613 7.434 5.803 1.00 10.91 C ATOM 1070 N GLU A 132 17.589 0.421 8.443 1.00 20.15 N ATOM 1071 CA GLU A 132 18.110 -0.836 8.890 1.00 21.32 C ATOM 1072 C GLU A 132 19.522 -0.625 9.468 1.00 17.22 C ATOM 1073 O GLU A 132 20.201 0.198 8.997 1.00 16.00 O ATOM 1074 CB GLU A 132 18.245 -1.755 7.672 1.00 23.41 C ATOM 1075 CG GLU A 132 18.201 -3.242 8.065 1.00 36.63 C ATOM 1076 CD GLU A 132 19.356 -3.995 7.491 1.00 49.58 C ATOM 1077 OE1 GLU A 132 20.322 -3.314 7.075 1.00 61.69 O ATOM 1078 OE2 GLU A 132 19.322 -5.249 7.451 1.00 53.43 O ATOM 1079 N VAL A 133 19.955 -1.402 10.455 1.00 17.25 N ATOM 1080 CA VAL A 133 21.210 -1.244 11.053 1.00 18.60 C ATOM 1081 C VAL A 133 22.191 -2.086 10.242 1.00 24.28 C ATOM 1082 O VAL A 133 22.114 -3.306 10.238 1.00 25.19 O ATOM 1083 CB VAL A 133 21.243 -1.732 12.557 1.00 21.89 C ATOM 1084 CG1 VAL A 133 22.647 -1.548 13.188 1.00 24.04 C ATOM 1085 CG2 VAL A 133 20.254 -1.044 13.421 1.00 17.79 C ATOM 1086 N GLU A 134 23.116 -1.417 9.546 1.00 22.43 N ATOM 1087 CA GLU A 134 24.220 -2.038 8.883 1.00 20.13 C ATOM 1088 C GLU A 134 25.368 -2.209 9.892 1.00 22.80 C ATOM 1089 O GLU A 134 26.202 -3.140 9.816 1.00 23.28 O ATOM 1090 CB GLU A 134 24.673 -1.098 7.783 1.00 18.28 C ATOM 1091 CG GLU A 134 25.638 -1.767 6.828 1.00 25.22 C ATOM 1092 CD GLU A 134 27.118 -1.761 7.231 1.00 28.70 C ATOM 1093 OE1 GLU A 134 27.602 -0.872 7.978 1.00 31.87 O ATOM 1094 OE2 GLU A 134 27.823 -2.670 6.742 1.00 35.86 O ATOM 1095 N SER A 135 25.422 -1.321 10.872 1.00 20.49 N ATOM 1096 CA SER A 135 26.509 -1.380 11.792 1.00 17.40 C ATOM 1097 C SER A 135 26.168 -0.603 13.039 1.00 18.56 C ATOM 1098 O SER A 135 25.349 0.344 13.008 1.00 18.91 O ATOM 1099 CB SER A 135 27.800 -1.006 11.071 1.00 21.34 C ATOM 1100 OG SER A 135 28.606 -0.204 11.853 1.00 35.95 O ATOM 1101 N SER A 136 26.635 -1.147 14.161 1.00 18.31 N ATOM 1102 CA SER A 136 26.376 -0.623 15.516 1.00 16.03 C ATOM 1103 C SER A 136 27.559 -1.038 16.434 1.00 18.44 C ATOM 1104 O SER A 136 27.721 -2.208 16.787 1.00 17.75 O ATOM 1105 CB SER A 136 25.094 -1.240 16.053 1.00 17.94 C ATOM 1106 OG SER A 136 24.718 -0.712 17.318 1.00 20.77 O ATOM 1107 N VAL A 137 28.356 -0.054 16.830 1.00 20.07 N ATOM 1108 CA VAL A 137 29.652 -0.234 17.519 1.00 20.99 C ATOM 1109 C VAL A 137 29.644 0.688 18.760 1.00 21.54 C ATOM 1110 O VAL A 137 29.285 1.871 18.683 1.00 23.09 O ATOM 1111 CB VAL A 137 30.795 0.153 16.520 1.00 22.63 C ATOM 1112 CG1 VAL A 137 32.136 0.182 17.167 1.00 20.63 C ATOM 1113 CG2 VAL A 137 30.768 -0.847 15.347 1.00 23.39 C ATOM 1114 N GLU A 138 29.966 0.142 19.919 1.00 18.66 N ATOM 1115 CA GLU A 138 30.012 0.925 21.132 1.00 26.41 C ATOM 1116 C GLU A 138 31.284 1.737 21.153 1.00 25.38 C ATOM 1117 O GLU A 138 32.360 1.197 20.978 1.00 24.47 O ATOM 1118 CB GLU A 138 30.043 -0.050 22.315 1.00 31.25 C ATOM 1119 CG GLU A 138 30.127 0.563 23.722 1.00 35.38 C ATOM 1120 CD GLU A 138 30.091 -0.521 24.848 1.00 38.12 C ATOM 1121 OE1 GLU A 138 30.344 -1.721 24.568 1.00 45.37 O ATOM 1122 OE2 GLU A 138 29.779 -0.171 26.017 1.00 52.60 O ATOM 1123 N GLY A 139 31.201 3.036 21.349 1.00 25.61 N ATOM 1124 CA GLY A 139 32.448 3.802 21.381 1.00 27.39 C ATOM 1125 C GLY A 139 33.269 3.603 22.630 1.00 25.30 C ATOM 1126 O GLY A 139 32.709 3.373 23.694 1.00 27.26 O ATOM 1127 N GLN A 140 34.584 3.752 22.491 1.00 31.28 N ATOM 1128 CA GLN A 140 35.606 3.541 23.557 1.00 36.57 C ATOM 1129 C GLN A 140 35.547 4.665 24.595 1.00 37.37 C ATOM 1130 O GLN A 140 35.863 5.794 24.258 1.00 42.18 O ATOM 1131 CB GLN A 140 37.002 3.587 22.913 1.00 36.05 C ATOM 1132 CG GLN A 140 37.791 2.289 22.861 0.50 42.77 C ATOM 1133 CD GLN A 140 38.573 2.153 21.536 0.50 51.93 C ATOM 1134 OE1 GLN A 140 39.221 3.108 21.069 0.50 45.46 O ATOM 1135 NE2 GLN A 140 38.503 0.963 20.922 0.50 50.71 N ATOM 1136 N LEU A 141 35.152 4.378 25.833 1.00 37.45 N ATOM 1137 CA LEU A 141 35.369 5.295 26.959 1.00 38.68 C ATOM 1138 C LEU A 141 36.829 5.412 27.422 1.00 38.60 C ATOM 1139 O LEU A 141 37.533 4.414 27.523 1.00 38.19 O ATOM 1140 CB LEU A 141 34.438 4.965 28.115 1.00 36.04 C ATOM 1141 CG LEU A 141 32.995 4.892 27.590 1.00 42.01 C ATOM 1142 CD1 LEU A 141 32.059 4.703 28.726 1.00 26.63 C ATOM 1143 CD2 LEU A 141 32.616 6.136 26.744 1.00 39.57 C ATOM 1144 N ASP A 142 37.276 6.655 27.626 1.00 40.99 N ATOM 1145 CA ASP A 142 38.536 6.996 28.337 1.00 41.42 C ATOM 1146 C ASP A 142 38.516 8.438 28.855 1.00 40.86 C ATOM 1147 O ASP A 142 37.435 9.010 28.998 1.00 42.32 O ATOM 1148 CB ASP A 142 39.770 6.750 27.488 1.00 39.35 C ATOM 1149 CG ASP A 142 39.615 7.222 26.059 1.00 43.75 C ATOM 1150 OD1 ASP A 142 39.029 8.308 25.776 1.00 34.61 O ATOM 1151 OD2 ASP A 142 40.160 6.479 25.218 1.00 52.00 O ATOM 1152 N GLU A 143 39.675 9.020 29.168 1.00 41.75 N ATOM 1153 CA GLU A 143 39.694 10.399 29.772 1.00 41.60 C ATOM 1154 C GLU A 143 39.022 11.458 28.837 1.00 39.85 C ATOM 1155 O GLU A 143 38.270 12.341 29.292 1.00 42.20 O ATOM 1156 CB GLU A 143 41.112 10.827 30.193 0.50 39.13 C ATOM 1157 CG GLU A 143 41.692 10.113 31.421 0.50 39.62 C ATOM 1158 CD GLU A 143 43.216 9.878 31.311 0.50 40.19 C ATOM 1159 OE1 GLU A 143 43.954 10.884 31.137 0.50 26.96 O ATOM 1160 OE2 GLU A 143 43.656 8.695 31.373 0.50 25.00 O ATOM 1161 N LYS A 144 39.289 11.345 27.532 1.00 37.88 N ATOM 1162 CA LYS A 144 38.757 12.245 26.503 1.00 34.46 C ATOM 1163 C LYS A 144 37.290 11.939 26.188 1.00 33.33 C ATOM 1164 O LYS A 144 36.549 12.837 25.855 1.00 35.83 O ATOM 1165 CB LYS A 144 39.554 12.079 25.209 1.00 34.91 C ATOM 1166 CG LYS A 144 40.987 12.581 25.170 1.00 34.92 C ATOM 1167 CD LYS A 144 41.640 12.063 23.888 1.00 34.41 C ATOM 1168 CE LYS A 144 42.980 11.455 24.254 1.00 47.41 C ATOM 1169 NZ LYS A 144 43.824 11.204 23.067 1.00 49.72 N ATOM 1170 N ASN A 145 36.882 10.669 26.219 1.00 32.21 N ATOM 1171 CA ASN A 145 35.496 10.323 25.913 1.00 31.52 C ATOM 1172 C ASN A 145 34.813 9.648 27.067 1.00 34.17 C ATOM 1173 O ASN A 145 35.083 8.485 27.374 1.00 37.24 O ATOM 1174 CB ASN A 145 35.427 9.371 24.731 1.00 29.33 C ATOM 1175 CG ASN A 145 36.170 9.874 23.539 1.00 26.72 C ATOM 1176 OD1 ASN A 145 35.621 10.637 22.730 1.00 26.27 O ATOM 1177 ND2 ASN A 145 37.428 9.449 23.406 1.00 13.60 N ATOM 1178 N THR A 146 33.941 10.353 27.745 1.00 35.62 N ATOM 1179 CA THR A 146 33.545 9.825 29.034 1.00 35.84 C ATOM 1180 C THR A 146 32.027 9.639 28.999 1.00 35.81 C ATOM 1181 O THR A 146 31.449 9.037 29.935 1.00 37.05 O ATOM 1182 CB THR A 146 34.005 10.744 30.231 1.00 36.42 C ATOM 1183 OG1 THR A 146 33.387 12.017 30.097 1.00 44.18 O ATOM 1184 CG2 THR A 146 35.478 10.969 30.231 1.00 24.16 C ATOM 1185 N ILE A 147 31.378 10.138 27.931 1.00 30.74 N ATOM 1186 CA ILE A 147 29.944 9.870 27.778 1.00 29.78 C ATOM 1187 C ILE A 147 29.865 8.636 26.891 1.00 29.72 C ATOM 1188 O ILE A 147 30.538 8.599 25.861 1.00 30.17 O ATOM 1189 CB ILE A 147 29.143 11.081 27.198 1.00 32.45 C ATOM 1190 CG1 ILE A 147 29.351 12.330 28.082 0.50 30.66 C ATOM 1191 CG2 ILE A 147 27.618 10.761 27.088 0.50 25.97 C ATOM 1192 CD1 ILE A 147 29.371 13.635 27.294 0.50 33.28 C ATOM 1193 N PRO A 148 29.047 7.625 27.298 1.00 28.27 N ATOM 1194 CA PRO A 148 28.755 6.438 26.528 1.00 24.78 C ATOM 1195 C PRO A 148 28.051 6.819 25.263 1.00 26.66 C ATOM 1196 O PRO A 148 27.125 7.683 25.291 1.00 25.22 O ATOM 1197 CB PRO A 148 27.784 5.650 27.428 1.00 28.64 C ATOM 1198 CG PRO A 148 28.025 6.152 28.807 1.00 27.00 C ATOM 1199 CD PRO A 148 28.319 7.610 28.591 1.00 30.58 C ATOM 1200 N HIS A 149 28.507 6.204 24.158 1.00 25.43 N ATOM 1201 CA HIS A 149 28.057 6.518 22.812 1.00 22.55 C ATOM 1202 C HIS A 149 28.196 5.267 21.928 1.00 22.99 C ATOM 1203 O HIS A 149 29.009 4.405 22.184 1.00 15.51 O ATOM 1204 CB HIS A 149 28.815 7.728 22.234 1.00 21.14 C ATOM 1205 CG HIS A 149 30.302 7.535 22.165 1.00 23.58 C ATOM 1206 ND1 HIS A 149 31.091 7.399 23.293 1.00 28.59 N ATOM 1207 CD2 HIS A 149 31.144 7.440 21.109 1.00 20.13 C ATOM 1208 CE1 HIS A 149 32.356 7.269 22.938 1.00 22.47 C ATOM 1209 NE2 HIS A 149 32.423 7.273 21.614 1.00 17.54 N ATOM 1210 N THR A 150 27.338 5.172 20.914 1.00 23.25 N ATOM 1211 CA THR A 150 27.370 4.124 19.899 1.00 22.06 C ATOM 1212 C THR A 150 27.497 4.836 18.538 1.00 20.85 C ATOM 1213 O THR A 150 26.914 5.899 18.323 1.00 17.74 O ATOM 1214 CB THR A 150 26.073 3.304 20.015 1.00 23.78 C ATOM 1215 OG1 THR A 150 25.980 2.835 21.372 1.00 29.95 O ATOM 1216 CG2 THR A 150 26.054 2.058 19.066 1.00 16.82 C ATOM 1217 N PHE A 151 28.307 4.268 17.651 1.00 19.45 N ATOM 1218 CA PHE A 151 28.268 4.644 16.235 1.00 19.81 C ATOM 1219 C PHE A 151 27.323 3.745 15.508 1.00 18.58 C ATOM 1220 O PHE A 151 27.541 2.523 15.460 1.00 16.09 O ATOM 1221 CB PHE A 151 29.682 4.538 15.692 1.00 19.91 C ATOM 1222 CG PHE A 151 30.634 5.415 16.425 1.00 18.44 C ATOM 1223 CD1 PHE A 151 30.701 6.782 16.124 1.00 19.07 C ATOM 1224 CD2 PHE A 151 31.441 4.906 17.428 1.00 24.19 C ATOM 1225 CE1 PHE A 151 31.606 7.642 16.798 1.00 29.54 C ATOM 1226 CE2 PHE A 151 32.349 5.759 18.124 1.00 24.61 C ATOM 1227 CZ PHE A 151 32.423 7.120 17.809 1.00 20.76 C ATOM 1228 N LEU A 152 26.206 4.320 15.084 1.00 17.75 N ATOM 1229 CA LEU A 152 25.290 3.635 14.203 1.00 19.89 C ATOM 1230 C LEU A 152 25.562 3.950 12.728 1.00 20.63 C ATOM 1231 O LEU A 152 25.911 5.088 12.333 1.00 24.06 O ATOM 1232 CB LEU A 152 23.831 4.046 14.451 1.00 23.24 C ATOM 1233 CG LEU A 152 23.410 4.275 15.853 1.00 11.44 C ATOM 1234 CD1 LEU A 152 21.964 4.612 15.553 1.00 12.03 C ATOM 1235 CD2 LEU A 152 23.570 2.911 16.469 1.00 20.19 C ATOM 1236 N HIS A 153 25.331 2.945 11.910 1.00 16.69 N ATOM 1237 CA HIS A 153 25.274 3.164 10.482 1.00 17.38 C ATOM 1238 C HIS A 153 23.947 2.551 10.002 1.00 17.45 C ATOM 1239 O HIS A 153 23.770 1.363 9.999 1.00 13.39 O ATOM 1240 CB HIS A 153 26.491 2.551 9.758 1.00 11.89 C ATOM 1241 CG HIS A 153 26.392 2.598 8.263 1.00 17.90 C ATOM 1242 ND1 HIS A 153 25.999 3.728 7.579 1.00 14.08 N ATOM 1243 CD2 HIS A 153 26.585 1.644 7.319 1.00 16.37 C ATOM 1244 CE1 HIS A 153 26.020 3.494 6.278 1.00 11.17 C ATOM 1245 NE2 HIS A 153 26.326 2.223 6.100 1.00 20.11 N ATOM 1246 N LEU A 154 23.031 3.408 9.578 1.00 19.64 N ATOM 1247 CA LEU A 154 21.725 2.970 9.076 1.00 18.02 C ATOM 1248 C LEU A 154 21.619 3.218 7.589 1.00 14.00 C ATOM 1249 O LEU A 154 22.031 4.250 7.091 1.00 15.85 O ATOM 1250 CB LEU A 154 20.595 3.757 9.809 1.00 16.31 C ATOM 1251 CG LEU A 154 20.602 3.972 11.358 1.00 21.40 C ATOM 1252 CD1 LEU A 154 19.285 4.648 11.954 1.00 14.75 C ATOM 1253 CD2 LEU A 154 20.990 2.645 12.089 1.00 17.57 C ATOM 1254 N VAL A 155 20.989 2.304 6.879 1.00 17.13 N ATOM 1255 CA VAL A 155 20.810 2.381 5.416 1.00 15.83 C ATOM 1256 C VAL A 155 19.310 2.376 5.195 1.00 19.48 C ATOM 1257 O VAL A 155 18.554 1.664 5.903 1.00 18.52 O ATOM 1258 CB VAL A 155 21.577 1.218 4.628 1.00 14.81 C ATOM 1259 CG1 VAL A 155 22.962 1.130 5.107 1.00 6.83 C ATOM 1260 CG2 VAL A 155 20.980 -0.139 4.945 1.00 19.81 C ATOM 1261 N ARG A 156 18.856 3.242 4.279 1.00 22.85 N ATOM 1262 CA ARG A 156 17.468 3.255 3.915 1.00 21.52 C ATOM 1263 C ARG A 156 17.011 1.953 3.325 1.00 23.26 C ATOM 1264 O ARG A 156 17.679 1.364 2.461 1.00 22.75 O ATOM 1265 CB ARG A 156 17.166 4.363 2.955 1.00 21.62 C ATOM 1266 CG ARG A 156 15.639 4.509 2.765 1.00 26.53 C ATOM 1267 CD ARG A 156 15.360 5.246 1.489 1.00 38.11 C ATOM 1268 NE ARG A 156 15.923 6.547 1.775 1.00 50.18 N ATOM 1269 CZ ARG A 156 15.420 7.365 2.691 1.00 49.79 C ATOM 1270 NH1 ARG A 156 14.262 7.001 3.361 1.00 36.79 N ATOM 1271 NH2 ARG A 156 16.089 8.525 2.906 1.00 24.39 N ATOM 1272 N AARG A 157 15.851 1.486 3.784 0.50 24.85 N ATOM 1273 CA AARG A 157 15.356 0.164 3.381 0.50 22.73 C ATOM 1274 C AARG A 157 14.865 0.238 1.933 0.50 23.32 C ATOM 1275 O AARG A 157 13.874 0.911 1.676 0.50 25.29 O ATOM 1276 CB AARG A 157 14.274 -0.335 4.348 0.50 20.00 C ATOM 1277 CG AARG A 157 14.828 -0.842 5.676 0.50 16.33 C ATOM 1278 CD AARG A 157 13.739 -1.101 6.773 0.50 16.53 C ATOM 1279 NE AARG A 157 12.769 -2.155 6.424 0.50 25.82 N ATOM 1280 CZ AARG A 157 11.679 -2.478 7.128 0.50 19.80 C ATOM 1281 NH1AARG A 157 11.389 -1.883 8.262 0.50 21.16 N ATOM 1282 NH2AARG A 157 10.890 -3.435 6.706 0.50 23.92 N ATOM 1283 N BARG A 157 15.852 1.492 3.775 0.50 25.14 N ATOM 1284 CA BARG A 157 15.387 0.185 3.342 0.50 23.80 C ATOM 1285 C BARG A 157 14.895 0.282 1.913 0.50 23.77 C ATOM 1286 O BARG A 157 13.940 1.003 1.648 0.50 25.76 O ATOM 1287 CB BARG A 157 14.333 -0.356 4.285 0.50 20.27 C ATOM 1288 CG BARG A 157 14.889 -0.694 5.633 0.50 14.31 C ATOM 1289 CD BARG A 157 13.995 -1.712 6.325 0.50 16.18 C ATOM 1290 NE BARG A 157 14.128 -1.732 7.765 0.50 12.82 N ATOM 1291 CZ BARG A 157 14.871 -2.606 8.446 0.50 25.07 C ATOM 1292 NH1BARG A 157 15.575 -3.529 7.795 0.50 12.50 N ATOM 1293 NH2BARG A 157 14.932 -2.523 9.782 0.50 19.82 N ATOM 1294 N LYS A 158 15.580 -0.440 1.007 1.00 27.50 N ATOM 1295 CA LYS A 158 15.288 -0.469 -0.505 1.00 27.73 C ATOM 1296 C LYS A 158 14.534 -1.716 -0.979 1.00 32.84 C ATOM 1297 O LYS A 158 14.749 -2.790 -0.472 1.00 39.14 O ATOM 1298 CB LYS A 158 16.583 -0.412 -1.353 1.00 24.22 C ATOM 1299 CG LYS A 158 17.550 0.780 -1.057 1.00 27.56 C ATOM 1300 CD LYS A 158 18.750 0.836 -2.041 0.50 30.24 C ATOM 1301 CE LYS A 158 20.086 0.300 -1.439 0.50 37.05 C ATOM 1302 NZ LYS A 158 21.209 0.005 -2.424 0.50 26.62 N ATOM 1303 N GLY A 159 13.652 -1.590 -1.961 1.00 36.87 N ATOM 1304 CA GLY A 159 12.987 -2.754 -2.548 1.00 34.39 C ATOM 1305 C GLY A 159 11.989 -3.478 -1.661 1.00 37.07 C ATOM 1306 O GLY A 159 11.111 -2.877 -1.035 1.00 38.31 O TER 1307 GLY A 159 ATOM 1308 N THR A 1 -3.668 -9.638 27.493 1.00 23.68 N ATOM 1309 CA THR A 1 -2.289 -9.893 27.994 1.00 23.33 C ATOM 1310 C THR A 1 -1.531 -8.596 28.047 1.00 18.63 C ATOM 1311 O THR A 1 -1.488 -7.854 27.086 1.00 15.99 O ATOM 1312 CB THR A 1 -1.557 -10.934 27.157 1.00 26.54 C ATOM 1313 OG1 THR A 1 -2.352 -12.105 27.160 1.00 27.29 O ATOM 1314 CG2 THR A 1 -0.162 -11.303 27.747 1.00 16.81 C ATOM 1315 N LEU A 2 -0.962 -8.356 29.218 1.00 16.72 N ATOM 1316 CA LEU A 2 -0.126 -7.189 29.569 1.00 15.51 C ATOM 1317 C LEU A 2 1.282 -7.758 29.803 1.00 13.26 C ATOM 1318 O LEU A 2 1.486 -8.611 30.651 1.00 14.87 O ATOM 1319 CB LEU A 2 -0.694 -6.669 30.894 1.00 13.68 C ATOM 1320 CG LEU A 2 -0.560 -5.264 31.389 1.00 21.24 C ATOM 1321 CD1 LEU A 2 -0.569 -4.414 30.142 1.00 22.00 C ATOM 1322 CD2 LEU A 2 -1.806 -5.009 32.330 1.00 26.99 C ATOM 1323 N SER A 3 2.238 -7.304 29.039 1.00 13.42 N ATOM 1324 CA SER A 3 3.605 -7.859 29.056 1.00 13.85 C ATOM 1325 C SER A 3 4.569 -6.691 29.240 1.00 14.29 C ATOM 1326 O SER A 3 4.453 -5.680 28.541 1.00 12.87 O ATOM 1327 CB SER A 3 3.912 -8.411 27.655 1.00 12.04 C ATOM 1328 OG SER A 3 3.116 -9.535 27.386 1.00 13.87 O ATOM 1329 N ILE A 4 5.591 -6.845 30.068 1.00 17.06 N ATOM 1330 CA ILE A 4 6.723 -5.855 30.032 1.00 16.22 C ATOM 1331 C ILE A 4 7.662 -6.205 28.865 1.00 16.12 C ATOM 1332 O ILE A 4 7.863 -7.366 28.601 1.00 13.55 O ATOM 1333 CB ILE A 4 7.457 -5.788 31.438 1.00 16.12 C ATOM 1334 CG1 ILE A 4 6.642 -4.833 32.374 1.00 14.40 C ATOM 1335 CG2 ILE A 4 9.009 -5.520 31.222 1.00 13.13 C ATOM 1336 CD1 ILE A 4 7.061 -4.721 33.974 1.00 11.44 C ATOM 1337 N ILE A 5 8.242 -5.210 28.187 1.00 19.27 N ATOM 1338 CA ILE A 5 9.494 -5.381 27.394 1.00 22.38 C ATOM 1339 C ILE A 5 10.661 -4.510 27.973 1.00 19.40 C ATOM 1340 O ILE A 5 10.510 -3.300 28.140 1.00 19.47 O ATOM 1341 CB ILE A 5 9.300 -4.988 25.887 1.00 22.32 C ATOM 1342 CG1 ILE A 5 8.290 -5.798 25.147 1.00 29.34 C ATOM 1343 CG2 ILE A 5 10.515 -5.337 25.084 1.00 30.63 C ATOM 1344 CD1 ILE A 5 8.122 -5.181 23.656 1.00 28.92 C ATOM 1345 N VAL A 6 11.774 -5.123 28.348 1.00 19.24 N ATOM 1346 CA VAL A 6 12.922 -4.398 28.931 1.00 18.23 C ATOM 1347 C VAL A 6 14.297 -5.040 28.570 1.00 19.97 C ATOM 1348 O VAL A 6 14.372 -6.238 28.333 1.00 14.42 O ATOM 1349 CB VAL A 6 12.795 -4.201 30.436 1.00 22.06 C ATOM 1350 CG1 VAL A 6 13.004 -5.522 31.222 1.00 19.09 C ATOM 1351 CG2 VAL A 6 13.676 -2.968 30.970 1.00 12.94 C ATOM 1352 N ALA A 7 15.353 -4.221 28.462 1.00 15.62 N ATOM 1353 CA ALA A 7 16.694 -4.736 28.405 1.00 17.25 C ATOM 1354 C ALA A 7 17.439 -4.243 29.647 1.00 18.59 C ATOM 1355 O ALA A 7 17.301 -3.111 30.059 1.00 24.98 O ATOM 1356 CB ALA A 7 17.401 -4.309 27.105 1.00 12.38 C ATOM 1357 N HIS A 8 18.236 -5.066 30.275 1.00 17.08 N ATOM 1358 CA HIS A 8 18.963 -4.531 31.377 1.00 15.08 C ATOM 1359 C HIS A 8 20.186 -5.390 31.614 1.00 21.84 C ATOM 1360 O HIS A 8 20.360 -6.438 30.972 1.00 19.05 O ATOM 1361 CB HIS A 8 18.057 -4.400 32.607 1.00 16.25 C ATOM 1362 CG HIS A 8 17.701 -5.709 33.273 1.00 18.60 C ATOM 1363 ND1 HIS A 8 18.633 -6.539 33.861 1.00 20.69 N ATOM 1364 CD2 HIS A 8 16.513 -6.325 33.438 1.00 20.43 C ATOM 1365 CE1 HIS A 8 18.035 -7.568 34.427 1.00 13.39 C ATOM 1366 NE2 HIS A 8 16.751 -7.487 34.146 1.00 26.02 N ATOM 1367 N ASP A 9 21.073 -4.911 32.494 1.00 23.87 N ATOM 1368 CA ASP A 9 22.369 -5.535 32.692 1.00 21.05 C ATOM 1369 C ASP A 9 22.376 -6.326 33.970 1.00 19.67 C ATOM 1370 O ASP A 9 21.358 -6.466 34.596 1.00 22.10 O ATOM 1371 CB ASP A 9 23.486 -4.464 32.646 1.00 21.35 C ATOM 1372 CG ASP A 9 23.540 -3.557 33.890 1.00 21.07 C ATOM 1373 OD1 ASP A 9 22.706 -3.650 34.820 1.00 24.34 O ATOM 1374 OD2 ASP A 9 24.408 -2.654 33.901 1.00 21.94 O ATOM 1375 N LYS A 10 23.524 -6.823 34.371 1.00 24.02 N ATOM 1376 CA LYS A 10 23.717 -7.584 35.617 1.00 23.71 C ATOM 1377 C LYS A 10 23.352 -6.866 36.885 1.00 28.14 C ATOM 1378 O LYS A 10 23.160 -7.488 37.944 1.00 39.16 O ATOM 1379 CB LYS A 10 25.182 -8.047 35.752 0.50 23.13 C ATOM 1380 CG LYS A 10 25.531 -9.245 34.867 0.50 22.44 C ATOM 1381 CD LYS A 10 26.564 -10.166 35.542 0.50 17.42 C ATOM 1382 CE LYS A 10 27.601 -10.589 34.561 0.50 5.36 C ATOM 1383 NZ LYS A 10 28.916 -10.475 35.239 0.50 21.62 N ATOM 1384 N GLN A 11 23.267 -5.566 36.857 1.00 25.61 N ATOM 1385 CA GLN A 11 22.854 -4.918 38.060 1.00 24.39 C ATOM 1386 C GLN A 11 21.466 -4.329 37.909 1.00 22.65 C ATOM 1387 O GLN A 11 21.060 -3.538 38.761 1.00 23.96 O ATOM 1388 CB GLN A 11 23.922 -3.897 38.492 0.50 23.46 C ATOM 1389 CG GLN A 11 25.252 -4.619 38.843 0.50 28.42 C ATOM 1390 CD GLN A 11 25.158 -5.546 40.119 0.50 29.79 C ATOM 1391 OE1 GLN A 11 25.252 -5.041 41.236 0.50 31.83 O ATOM 1392 NE2 GLN A 11 25.006 -6.888 39.934 0.50 13.00 N ATOM 1393 N ARG A 12 20.754 -4.709 36.827 1.00 19.53 N ATOM 1394 CA ARG A 12 19.371 -4.266 36.547 1.00 17.02 C ATOM 1395 C ARG A 12 19.275 -2.838 36.109 1.00 14.70 C ATOM 1396 O ARG A 12 18.199 -2.296 36.050 1.00 16.60 O ATOM 1397 CB ARG A 12 18.429 -4.527 37.717 1.00 16.51 C ATOM 1398 CG ARG A 12 17.929 -6.043 37.799 1.00 24.54 C ATOM 1399 CD ARG A 12 17.610 -6.443 39.259 1.00 21.56 C ATOM 1400 NE ARG A 12 17.064 -5.293 39.900 1.00 29.55 N ATOM 1401 CZ ARG A 12 17.491 -4.763 41.025 1.00 27.58 C ATOM 1402 NH1 ARG A 12 18.455 -5.306 41.714 1.00 28.41 N ATOM 1403 NH2 ARG A 12 16.910 -3.688 41.459 1.00 27.84 N ATOM 1404 N VAL A 13 20.409 -2.257 35.727 1.00 17.96 N ATOM 1405 CA VAL A 13 20.508 -0.899 35.106 1.00 19.58 C ATOM 1406 C VAL A 13 19.948 -1.054 33.725 1.00 21.44 C ATOM 1407 O VAL A 13 20.269 -2.040 33.039 1.00 20.15 O ATOM 1408 CB VAL A 13 22.054 -0.381 35.020 1.00 24.41 C ATOM 1409 CG1 VAL A 13 22.200 0.763 34.090 1.00 14.93 C ATOM 1410 CG2 VAL A 13 22.650 -0.027 36.473 1.00 13.16 C ATOM 1411 N ILE A 14 19.053 -0.142 33.359 1.00 22.10 N ATOM 1412 CA ILE A 14 18.397 -0.153 32.045 1.00 26.18 C ATOM 1413 C ILE A 14 19.332 0.624 31.107 1.00 30.55 C ATOM 1414 O ILE A 14 19.779 1.725 31.438 1.00 29.54 O ATOM 1415 CB ILE A 14 17.026 0.563 32.174 1.00 25.39 C ATOM 1416 CG1 ILE A 14 16.201 -0.154 33.200 1.00 15.29 C ATOM 1417 CG2 ILE A 14 16.284 0.764 30.852 1.00 20.81 C ATOM 1418 CD1 ILE A 14 14.966 0.614 33.539 1.00 22.56 C ATOM 1419 N GLY A 15 19.674 0.070 29.945 1.00 34.75 N ATOM 1420 CA GLY A 15 20.647 0.825 29.122 1.00 33.54 C ATOM 1421 C GLY A 15 19.951 1.611 28.015 1.00 34.92 C ATOM 1422 O GLY A 15 18.972 1.092 27.426 1.00 25.98 O ATOM 1423 N TYR A 16 20.456 2.849 27.751 1.00 34.87 N ATOM 1424 CA TYR A 16 19.879 3.763 26.711 1.00 32.96 C ATOM 1425 C TYR A 16 18.349 3.763 26.876 1.00 34.22 C ATOM 1426 O TYR A 16 17.592 3.495 25.930 1.00 36.93 O ATOM 1427 CB TYR A 16 20.246 3.372 25.256 1.00 27.20 C ATOM 1428 CG TYR A 16 21.707 3.575 24.862 0.50 24.15 C ATOM 1429 CD1 TYR A 16 22.105 4.674 24.070 0.50 16.51 C ATOM 1430 CD2 TYR A 16 22.679 2.647 25.237 0.50 21.43 C ATOM 1431 CE1 TYR A 16 23.430 4.840 23.698 0.50 13.29 C ATOM 1432 CE2 TYR A 16 23.975 2.831 24.896 0.50 18.86 C ATOM 1433 CZ TYR A 16 24.330 3.913 24.116 0.50 14.01 C ATOM 1434 OH TYR A 16 25.616 4.045 23.782 0.50 23.84 O ATOM 1435 N GLN A 17 17.929 4.039 28.109 1.00 34.04 N ATOM 1436 CA GLN A 17 16.525 4.172 28.503 1.00 29.52 C ATOM 1437 C GLN A 17 15.818 5.261 27.720 1.00 26.78 C ATOM 1438 O GLN A 17 16.355 6.355 27.472 1.00 24.15 O ATOM 1439 CB GLN A 17 16.452 4.580 29.963 1.00 25.50 C ATOM 1440 CG GLN A 17 15.078 4.418 30.497 1.00 34.71 C ATOM 1441 CD GLN A 17 14.877 5.081 31.855 1.00 37.97 C ATOM 1442 OE1 GLN A 17 14.564 6.268 31.936 1.00 43.10 O ATOM 1443 NE2 GLN A 17 15.007 4.297 32.923 1.00 26.09 N ATOM 1444 N ASN A 18 14.586 4.925 27.366 1.00 27.42 N ATOM 1445 CA ASN A 18 13.704 5.733 26.563 1.00 25.38 C ATOM 1446 C ASN A 18 13.997 5.713 25.089 1.00 25.09 C ATOM 1447 O ASN A 18 13.378 6.419 24.364 1.00 28.41 O ATOM 1448 CB ASN A 18 13.602 7.157 27.090 1.00 23.80 C ATOM 1449 CG ASN A 18 12.954 7.206 28.451 1.00 27.52 C ATOM 1450 OD1 ASN A 18 11.865 6.612 28.693 1.00 39.46 O ATOM 1451 ND2 ASN A 18 13.596 7.910 29.363 1.00 28.06 N ATOM 1452 N GLN A 19 14.957 4.931 24.625 1.00 27.11 N ATOM 1453 CA GLN A 19 15.240 4.980 23.233 1.00 29.07 C ATOM 1454 C GLN A 19 14.969 3.659 22.568 1.00 26.28 C ATOM 1455 O GLN A 19 14.983 2.651 23.222 1.00 24.92 O ATOM 1456 CB GLN A 19 16.578 5.687 22.857 1.00 28.44 C ATOM 1457 CG GLN A 19 17.796 5.649 23.774 1.00 37.96 C ATOM 1458 CD GLN A 19 18.967 6.579 23.257 1.00 40.66 C ATOM 1459 OE1 GLN A 19 19.095 6.872 22.022 1.00 42.39 O ATOM 1460 NE2 GLN A 19 19.817 7.037 24.206 1.00 38.00 N ATOM 1461 N LEU A 20 14.635 3.645 21.288 1.00 24.31 N ATOM 1462 CA LEU A 20 14.716 2.388 20.574 1.00 25.52 C ATOM 1463 C LEU A 20 16.168 1.818 20.682 1.00 24.00 C ATOM 1464 O LEU A 20 17.100 2.575 20.609 1.00 19.76 O ATOM 1465 CB LEU A 20 14.297 2.585 19.110 1.00 26.08 C ATOM 1466 CG LEU A 20 12.816 2.857 18.795 1.00 23.38 C ATOM 1467 CD1 LEU A 20 12.705 3.229 17.299 1.00 24.54 C ATOM 1468 CD2 LEU A 20 12.004 1.660 19.074 1.00 14.63 C ATOM 1469 N PRO A 21 16.344 0.472 20.877 1.00 22.64 N ATOM 1470 CA PRO A 21 17.722 -0.059 21.088 1.00 20.16 C ATOM 1471 C PRO A 21 18.565 -0.325 19.815 1.00 19.73 C ATOM 1472 O PRO A 21 18.972 -1.467 19.513 1.00 13.50 O ATOM 1473 CB PRO A 21 17.481 -1.310 21.921 1.00 18.74 C ATOM 1474 CG PRO A 21 16.036 -1.754 21.508 1.00 14.56 C ATOM 1475 CD PRO A 21 15.302 -0.579 20.971 1.00 17.64 C ATOM 1476 N TRP A 22 18.798 0.762 19.071 1.00 23.75 N ATOM 1477 CA TRP A 22 19.664 0.832 17.890 1.00 24.84 C ATOM 1478 C TRP A 22 21.025 0.180 18.147 1.00 28.14 C ATOM 1479 O TRP A 22 21.623 -0.429 17.248 1.00 29.66 O ATOM 1480 CB TRP A 22 19.820 2.309 17.517 1.00 20.87 C ATOM 1481 CG TRP A 22 18.546 2.874 16.889 1.00 21.74 C ATOM 1482 CD1 TRP A 22 17.733 3.855 17.391 1.00 15.26 C ATOM 1483 CD2 TRP A 22 17.950 2.470 15.616 1.00 17.45 C ATOM 1484 NE1 TRP A 22 16.676 4.087 16.517 1.00 19.56 N ATOM 1485 CE2 TRP A 22 16.791 3.243 15.432 1.00 12.67 C ATOM 1486 CE3 TRP A 22 18.314 1.541 14.610 1.00 22.47 C ATOM 1487 CZ2 TRP A 22 15.977 3.111 14.282 1.00 20.14 C ATOM 1488 CZ3 TRP A 22 17.497 1.412 13.489 1.00 16.21 C ATOM 1489 CH2 TRP A 22 16.339 2.172 13.350 1.00 12.81 C ATOM 1490 N HIS A 23 21.459 0.297 19.403 1.00 28.55 N ATOM 1491 CA HIS A 23 22.747 -0.100 19.896 1.00 29.91 C ATOM 1492 C HIS A 23 22.848 -1.572 20.292 1.00 30.07 C ATOM 1493 O HIS A 23 23.975 -2.068 20.527 1.00 29.00 O ATOM 1494 CB HIS A 23 23.065 0.728 21.114 1.00 33.58 C ATOM 1495 CG HIS A 23 22.184 0.443 22.290 1.00 38.68 C ATOM 1496 ND1 HIS A 23 22.273 -0.720 23.031 1.00 53.49 N ATOM 1497 CD2 HIS A 23 21.218 1.186 22.875 1.00 45.75 C ATOM 1498 CE1 HIS A 23 21.390 -0.694 24.013 1.00 49.49 C ATOM 1499 NE2 HIS A 23 20.748 0.460 23.948 1.00 53.60 N ATOM 1500 N LEU A 24 21.693 -2.257 20.340 1.00 28.72 N ATOM 1501 CA LEU A 24 21.566 -3.733 20.391 1.00 27.21 C ATOM 1502 C LEU A 24 20.579 -4.283 19.377 1.00 24.41 C ATOM 1503 O LEU A 24 19.403 -4.463 19.634 1.00 22.61 O ATOM 1504 CB LEU A 24 21.231 -4.285 21.794 1.00 28.48 C ATOM 1505 CG LEU A 24 21.497 -5.855 21.728 1.00 36.53 C ATOM 1506 CD1 LEU A 24 22.822 -6.402 21.100 1.00 27.49 C ATOM 1507 CD2 LEU A 24 21.042 -6.692 22.922 1.00 30.58 C ATOM 1508 N PRO A 25 21.058 -4.462 18.176 1.00 24.40 N ATOM 1509 CA PRO A 25 20.198 -4.728 17.002 1.00 24.64 C ATOM 1510 C PRO A 25 19.265 -5.925 17.107 1.00 26.04 C ATOM 1511 O PRO A 25 18.137 -5.875 16.599 1.00 25.52 O ATOM 1512 CB PRO A 25 21.209 -4.847 15.826 1.00 22.50 C ATOM 1513 CG PRO A 25 22.456 -4.083 16.317 1.00 17.74 C ATOM 1514 CD PRO A 25 22.478 -4.179 17.827 1.00 24.38 C ATOM 1515 N ASN A 26 19.745 -7.003 17.714 1.00 27.30 N ATOM 1516 CA ASN A 26 18.942 -8.229 17.972 1.00 27.14 C ATOM 1517 C ASN A 26 17.715 -7.832 18.839 1.00 23.68 C ATOM 1518 O ASN A 26 16.588 -8.261 18.639 1.00 25.43 O ATOM 1519 CB ASN A 26 19.789 -9.144 18.888 1.00 30.19 C ATOM 1520 CG ASN A 26 20.650 -10.148 18.146 1.00 31.30 C ATOM 1521 OD1 ASN A 26 20.538 -10.311 16.934 1.00 30.47 O ATOM 1522 ND2 ASN A 26 21.499 -10.874 18.913 1.00 24.53 N ATOM 1523 N ASP A 27 17.968 -7.002 19.833 1.00 16.26 N ATOM 1524 CA ASP A 27 16.916 -6.444 20.631 1.00 20.67 C ATOM 1525 C ASP A 27 15.849 -5.516 19.911 1.00 21.78 C ATOM 1526 O ASP A 27 14.665 -5.608 20.158 1.00 27.20 O ATOM 1527 CB ASP A 27 17.596 -5.751 21.790 1.00 19.19 C ATOM 1528 CG ASP A 27 16.789 -5.778 23.018 1.00 31.50 C ATOM 1529 OD1 ASP A 27 16.151 -6.810 23.336 1.00 46.25 O ATOM 1530 OD2 ASP A 27 16.774 -4.729 23.667 1.00 49.32 O ATOM 1531 N LEU A 28 16.271 -4.652 19.007 1.00 22.43 N ATOM 1532 CA LEU A 28 15.364 -3.954 18.113 1.00 24.53 C ATOM 1533 C LEU A 28 14.495 -4.889 17.236 1.00 22.91 C ATOM 1534 O LEU A 28 13.328 -4.630 17.008 1.00 21.53 O ATOM 1535 CB LEU A 28 16.189 -2.966 17.262 1.00 20.91 C ATOM 1536 CG LEU A 28 15.614 -1.934 16.351 1.00 23.31 C ATOM 1537 CD1 LEU A 28 15.216 -0.643 17.109 1.00 13.40 C ATOM 1538 CD2 LEU A 28 16.747 -1.657 15.322 1.00 31.37 C ATOM 1539 N LYS A 29 15.061 -5.962 16.719 1.00 25.16 N ATOM 1540 CA LYS A 29 14.318 -6.897 15.893 1.00 25.98 C ATOM 1541 C LYS A 29 13.304 -7.668 16.773 1.00 23.52 C ATOM 1542 O LYS A 29 12.194 -7.902 16.373 1.00 21.72 O ATOM 1543 CB LYS A 29 15.293 -7.861 15.187 1.00 26.49 C ATOM 1544 CG LYS A 29 14.607 -8.934 14.267 1.00 33.94 C ATOM 1545 CD LYS A 29 15.613 -9.761 13.434 1.00 37.17 C ATOM 1546 CE LYS A 29 16.265 -10.916 14.220 1.00 57.23 C ATOM 1547 NZ LYS A 29 15.467 -12.204 14.150 1.00 54.77 N ATOM 1548 N HIS A 30 13.700 -8.021 17.989 1.00 24.25 N ATOM 1549 CA HIS A 30 12.846 -8.672 18.970 1.00 23.12 C ATOM 1550 C HIS A 30 11.628 -7.835 19.366 1.00 22.41 C ATOM 1551 O HIS A 30 10.497 -8.315 19.377 1.00 20.81 O ATOM 1552 CB HIS A 30 13.759 -8.932 20.156 1.00 28.42 C ATOM 1553 CG HIS A 30 13.144 -9.700 21.297 1.00 29.05 C ATOM 1554 ND1 HIS A 30 12.748 -11.013 21.186 1.00 30.32 N ATOM 1555 CD2 HIS A 30 12.984 -9.368 22.603 1.00 25.04 C ATOM 1556 CE1 HIS A 30 12.334 -11.452 22.357 1.00 28.17 C ATOM 1557 NE2 HIS A 30 12.482 -10.477 23.239 1.00 40.59 N ATOM 1558 N ILE A 31 11.873 -6.575 19.700 1.00 20.96 N ATOM 1559 CA ILE A 31 10.809 -5.599 19.875 1.00 24.42 C ATOM 1560 C ILE A 31 9.785 -5.477 18.700 1.00 21.06 C ATOM 1561 O ILE A 31 8.577 -5.578 18.872 1.00 21.18 O ATOM 1562 CB ILE A 31 11.390 -4.188 20.252 1.00 23.59 C ATOM 1563 CG1 ILE A 31 11.918 -4.238 21.681 1.00 26.53 C ATOM 1564 CG2 ILE A 31 10.249 -3.211 20.285 1.00 27.55 C ATOM 1565 CD1 ILE A 31 12.952 -3.113 22.040 1.00 24.54 C ATOM 1566 N LYS A 32 10.308 -5.258 17.513 1.00 18.75 N ATOM 1567 CA LYS A 32 9.565 -5.319 16.301 1.00 20.18 C ATOM 1568 C LYS A 32 8.700 -6.585 16.143 1.00 20.85 C ATOM 1569 O LYS A 32 7.505 -6.520 15.856 1.00 26.08 O ATOM 1570 CB LYS A 32 10.530 -5.098 15.146 1.00 18.80 C ATOM 1571 CG LYS A 32 9.861 -5.009 13.745 1.00 29.00 C ATOM 1572 CD LYS A 32 10.833 -4.583 12.618 1.00 25.44 C ATOM 1573 CE LYS A 32 10.125 -4.722 11.233 1.00 39.79 C ATOM 1574 NZ LYS A 32 8.622 -4.827 11.337 1.00 58.80 N ATOM 1575 N GLN A 33 9.272 -7.742 16.332 1.00 20.37 N ATOM 1576 CA GLN A 33 8.529 -8.957 16.134 1.00 22.15 C ATOM 1577 C GLN A 33 7.467 -9.104 17.213 1.00 18.60 C ATOM 1578 O GLN A 33 6.336 -9.459 16.936 1.00 20.44 O ATOM 1579 CB GLN A 33 9.461 -10.158 16.128 1.00 21.80 C ATOM 1580 CG GLN A 33 10.470 -10.141 15.025 1.00 31.89 C ATOM 1581 CD GLN A 33 11.383 -11.386 15.095 1.00 47.12 C ATOM 1582 OE1 GLN A 33 12.043 -11.730 14.113 1.00 43.63 O ATOM 1583 NE2 GLN A 33 11.415 -12.058 16.263 1.00 45.03 N ATOM 1584 N LEU A 34 7.796 -8.831 18.450 1.00 17.57 N ATOM 1585 CA LEU A 34 6.759 -8.968 19.486 1.00 16.54 C ATOM 1586 C LEU A 34 5.564 -7.995 19.349 1.00 17.18 C ATOM 1587 O LEU A 34 4.398 -8.385 19.430 1.00 24.29 O ATOM 1588 CB LEU A 34 7.415 -8.763 20.861 1.00 13.82 C ATOM 1589 CG LEU A 34 8.359 -9.852 21.371 1.00 19.16 C ATOM 1590 CD1 LEU A 34 8.910 -9.215 22.642 1.00 15.83 C ATOM 1591 CD2 LEU A 34 7.567 -11.178 21.722 1.00 18.74 C ATOM 1592 N THR A 35 5.839 -6.711 19.205 1.00 17.39 N ATOM 1593 CA THR A 35 4.806 -5.688 19.251 1.00 18.46 C ATOM 1594 C THR A 35 4.069 -5.471 17.918 1.00 19.17 C ATOM 1595 O THR A 35 3.092 -4.747 17.840 1.00 20.91 O ATOM 1596 CB THR A 35 5.417 -4.378 19.698 1.00 18.02 C ATOM 1597 OG1 THR A 35 6.437 -4.059 18.783 1.00 19.93 O ATOM 1598 CG2 THR A 35 6.096 -4.528 21.050 1.00 18.19 C ATOM 1599 N THR A 36 4.467 -6.155 16.874 1.00 20.23 N ATOM 1600 CA THR A 36 3.860 -5.848 15.579 1.00 26.42 C ATOM 1601 C THR A 36 2.455 -6.418 15.443 1.00 22.97 C ATOM 1602 O THR A 36 2.241 -7.584 15.677 1.00 25.08 O ATOM 1603 CB THR A 36 4.836 -6.214 14.368 1.00 25.52 C ATOM 1604 OG1 THR A 36 4.163 -5.963 13.145 1.00 29.14 O ATOM 1605 CG2 THR A 36 5.171 -7.695 14.371 1.00 39.19 C ATOM 1606 N GLY A 37 1.467 -5.619 15.096 1.00 22.43 N ATOM 1607 CA GLY A 37 0.089 -6.151 15.182 1.00 19.69 C ATOM 1608 C GLY A 37 -0.590 -5.965 16.551 1.00 21.49 C ATOM 1609 O GLY A 37 -1.743 -6.411 16.745 1.00 21.39 O ATOM 1610 N ASN A 38 0.123 -5.336 17.506 1.00 15.32 N ATOM 1611 CA ASN A 38 -0.290 -5.295 18.875 1.00 13.59 C ATOM 1612 C ASN A 38 -0.213 -3.866 19.374 1.00 15.18 C ATOM 1613 O ASN A 38 -0.168 -2.959 18.561 1.00 18.45 O ATOM 1614 CB ASN A 38 0.459 -6.281 19.778 1.00 12.74 C ATOM 1615 CG ASN A 38 0.257 -7.784 19.387 1.00 16.83 C ATOM 1616 OD1 ASN A 38 -0.863 -8.250 19.204 1.00 21.97 O ATOM 1617 ND2 ASN A 38 1.359 -8.534 19.295 1.00 18.34 N ATOM 1618 N THR A 39 -0.244 -3.662 20.694 1.00 18.78 N ATOM 1619 CA THR A 39 -0.298 -2.283 21.313 1.00 18.54 C ATOM 1620 C THR A 39 0.939 -2.093 22.132 1.00 18.75 C ATOM 1621 O THR A 39 1.297 -2.985 22.896 1.00 17.79 O ATOM 1622 CB THR A 39 -1.438 -2.164 22.306 1.00 13.05 C ATOM 1623 OG1 THR A 39 -2.650 -2.482 21.657 1.00 18.90 O ATOM 1624 CG2 THR A 39 -1.553 -0.836 22.964 1.00 6.62 C ATOM 1625 N LEU A 40 1.568 -0.942 21.963 1.00 18.02 N ATOM 1626 CA LEU A 40 2.802 -0.575 22.676 1.00 19.53 C ATOM 1627 C LEU A 40 2.451 0.673 23.528 1.00 17.33 C ATOM 1628 O LEU A 40 2.207 1.722 22.987 1.00 20.15 O ATOM 1629 CB LEU A 40 3.924 -0.278 21.635 1.00 15.98 C ATOM 1630 CG LEU A 40 5.329 0.070 22.052 1.00 18.41 C ATOM 1631 CD1 LEU A 40 5.737 -0.979 23.025 1.00 9.48 C ATOM 1632 CD2 LEU A 40 6.340 0.124 20.841 1.00 19.25 C ATOM 1633 N VAL A 41 2.378 0.519 24.845 1.00 18.40 N ATOM 1634 CA VAL A 41 2.299 1.618 25.811 1.00 18.46 C ATOM 1635 C VAL A 41 3.700 2.185 26.163 1.00 21.48 C ATOM 1636 O VAL A 41 4.543 1.506 26.745 1.00 17.70 O ATOM 1637 CB VAL A 41 1.467 1.206 27.108 1.00 14.21 C ATOM 1638 CG1 VAL A 41 1.407 2.326 28.136 1.00 19.05 C ATOM 1639 CG2 VAL A 41 0.065 0.880 26.698 1.00 18.31 C ATOM 1640 N MET A 42 3.927 3.435 25.759 1.00 20.97 N ATOM 1641 CA MET A 42 5.099 4.165 26.122 1.00 20.88 C ATOM 1642 C MET A 42 4.921 5.380 27.053 1.00 22.76 C ATOM 1643 O MET A 42 3.912 6.081 27.065 1.00 18.44 O ATOM 1644 CB MET A 42 6.067 4.358 24.943 1.00 21.00 C ATOM 1645 CG MET A 42 5.760 5.297 23.832 1.00 22.96 C ATOM 1646 SD MET A 42 6.164 4.689 22.122 1.00 27.32 S ATOM 1647 CE MET A 42 4.778 3.650 21.938 1.00 36.99 C ATOM 1648 N ALA A 43 5.893 5.498 27.935 1.00 24.06 N ATOM 1649 CA ALA A 43 6.230 6.714 28.590 1.00 25.28 C ATOM 1650 C ALA A 43 6.390 7.853 27.578 1.00 24.98 C ATOM 1651 O ALA A 43 6.884 7.711 26.431 1.00 24.15 O ATOM 1652 CB ALA A 43 7.551 6.460 29.443 1.00 24.91 C ATOM 1653 N ARG A 44 5.965 9.001 28.012 1.00 23.84 N ATOM 1654 CA ARG A 44 5.987 10.129 27.174 1.00 26.48 C ATOM 1655 C ARG A 44 7.429 10.409 26.615 1.00 27.31 C ATOM 1656 O ARG A 44 7.569 10.764 25.435 1.00 27.08 O ATOM 1657 CB ARG A 44 5.520 11.292 28.032 1.00 25.91 C ATOM 1658 CG ARG A 44 6.064 12.573 27.564 1.00 31.40 C ATOM 1659 CD ARG A 44 5.398 12.903 26.291 1.00 37.13 C ATOM 1660 NE ARG A 44 4.804 14.218 26.441 1.00 45.27 N ATOM 1661 CZ ARG A 44 5.018 15.212 25.601 1.00 60.62 C ATOM 1662 NH1 ARG A 44 5.814 15.044 24.538 1.00 53.60 N ATOM 1663 NH2 ARG A 44 4.415 16.373 25.815 1.00 71.69 N ATOM 1664 N LYS A 45 8.468 10.277 27.461 1.00 24.61 N ATOM 1665 CA LYS A 45 9.861 10.514 27.088 1.00 24.88 C ATOM 1666 C LYS A 45 10.325 9.442 26.138 1.00 23.07 C ATOM 1667 O LYS A 45 11.248 9.655 25.403 1.00 25.62 O ATOM 1668 CB LYS A 45 10.804 10.479 28.317 1.00 28.23 C ATOM 1669 CG LYS A 45 11.046 11.803 29.089 1.00 30.57 C ATOM 1670 CD LYS A 45 11.406 11.498 30.527 0.50 29.61 C ATOM 1671 CE LYS A 45 12.593 10.557 30.607 0.50 34.60 C ATOM 1672 NZ LYS A 45 12.918 10.158 32.030 0.50 37.44 N ATOM 1673 N THR A 46 9.715 8.263 26.183 1.00 21.86 N ATOM 1674 CA THR A 46 9.916 7.277 25.126 1.00 19.17 C ATOM 1675 C THR A 46 9.339 7.745 23.828 1.00 15.14 C ATOM 1676 O THR A 46 10.000 7.688 22.853 1.00 17.63 O ATOM 1677 CB THR A 46 9.499 5.854 25.537 1.00 18.16 C ATOM 1678 OG1 THR A 46 10.131 5.588 26.771 1.00 20.69 O ATOM 1679 CG2 THR A 46 9.937 4.868 24.575 1.00 14.47 C ATOM 1680 N PHE A 47 8.152 8.315 23.809 1.00 17.06 N ATOM 1681 CA PHE A 47 7.675 8.780 22.529 1.00 18.98 C ATOM 1682 C PHE A 47 8.537 9.934 21.964 1.00 20.71 C ATOM 1683 O PHE A 47 8.703 10.079 20.797 1.00 23.80 O ATOM 1684 CB PHE A 47 6.204 9.168 22.554 1.00 15.64 C ATOM 1685 CG PHE A 47 5.678 9.503 21.199 1.00 13.68 C ATOM 1686 CD1 PHE A 47 5.448 8.488 20.270 1.00 11.91 C ATOM 1687 CD2 PHE A 47 5.500 10.820 20.816 1.00 23.79 C ATOM 1688 CE1 PHE A 47 4.978 8.749 19.032 1.00 12.39 C ATOM 1689 CE2 PHE A 47 5.072 11.106 19.541 1.00 24.45 C ATOM 1690 CZ PHE A 47 4.800 10.078 18.649 1.00 18.46 C ATOM 1691 N GLU A 48 9.077 10.757 22.830 1.00 24.32 N ATOM 1692 CA GLU A 48 9.745 11.957 22.447 1.00 25.06 C ATOM 1693 C GLU A 48 11.109 11.649 21.829 1.00 23.31 C ATOM 1694 O GLU A 48 11.523 12.343 20.888 1.00 22.12 O ATOM 1695 CB GLU A 48 9.991 12.742 23.735 1.00 31.28 C ATOM 1696 CG GLU A 48 9.742 14.189 23.611 1.00 45.82 C ATOM 1697 CD GLU A 48 8.297 14.483 23.807 1.00 53.88 C ATOM 1698 OE1 GLU A 48 7.958 15.054 24.877 1.00 55.29 O ATOM 1699 OE2 GLU A 48 7.518 14.114 22.904 1.00 54.45 O ATOM 1700 N SER A 49 11.839 10.682 22.414 1.00 21.41 N ATOM 1701 CA SER A 49 12.996 10.023 21.783 1.00 21.17 C ATOM 1702 C SER A 49 12.710 9.588 20.347 1.00 21.12 C ATOM 1703 O SER A 49 13.367 10.007 19.418 1.00 29.08 O ATOM 1704 CB SER A 49 13.405 8.802 22.611 1.00 24.62 C ATOM 1705 OG SER A 49 14.253 7.914 21.873 1.00 23.13 O ATOM 1706 N ILE A 50 11.672 8.798 20.155 1.00 20.04 N ATOM 1707 CA ILE A 50 11.400 8.223 18.866 1.00 22.72 C ATOM 1708 C ILE A 50 10.849 9.252 17.854 1.00 22.82 C ATOM 1709 O ILE A 50 11.310 9.294 16.735 1.00 25.29 O ATOM 1710 CB ILE A 50 10.458 7.013 18.989 1.00 22.56 C ATOM 1711 CG1 ILE A 50 10.911 6.076 20.135 1.00 22.07 C ATOM 1712 CG2 ILE A 50 10.371 6.311 17.661 1.00 21.93 C ATOM 1713 CD1 ILE A 50 10.015 4.823 20.261 1.00 18.13 C ATOM 1714 N GLY A 51 9.872 10.062 18.277 1.00 22.03 N ATOM 1715 CA GLY A 51 9.429 11.242 17.579 1.00 19.96 C ATOM 1716 C GLY A 51 8.261 10.965 16.669 1.00 20.51 C ATOM 1717 O GLY A 51 7.743 11.856 16.049 1.00 21.15 O ATOM 1718 N LYS A 52 7.857 9.713 16.572 1.00 23.00 N ATOM 1719 CA LYS A 52 6.803 9.339 15.661 1.00 24.64 C ATOM 1720 C LYS A 52 6.286 7.892 15.810 1.00 23.55 C ATOM 1721 O LYS A 52 7.000 7.038 16.309 1.00 23.85 O ATOM 1722 CB LYS A 52 7.145 9.718 14.234 1.00 25.71 C ATOM 1723 CG LYS A 52 8.205 8.828 13.533 1.00 35.63 C ATOM 1724 CD LYS A 52 7.786 8.830 12.075 1.00 35.71 C ATOM 1725 CE LYS A 52 8.456 7.784 11.285 1.00 32.69 C ATOM 1726 NZ LYS A 52 9.442 8.516 10.519 1.00 30.20 N ATOM 1727 N PRO A 53 5.018 7.641 15.433 1.00 21.38 N ATOM 1728 CA PRO A 53 4.555 6.289 15.664 1.00 21.74 C ATOM 1729 C PRO A 53 5.277 5.197 14.857 1.00 25.35 C ATOM 1730 O PRO A 53 5.682 5.411 13.683 1.00 25.46 O ATOM 1731 CB PRO A 53 3.051 6.347 15.343 1.00 17.75 C ATOM 1732 CG PRO A 53 2.842 7.645 14.639 1.00 17.28 C ATOM 1733 CD PRO A 53 3.995 8.530 14.831 1.00 16.71 C ATOM 1734 N LEU A 54 5.422 4.026 15.509 1.00 25.44 N ATOM 1735 CA LEU A 54 5.932 2.791 14.909 1.00 20.24 C ATOM 1736 C LEU A 54 4.791 2.277 14.053 1.00 22.14 C ATOM 1737 O LEU A 54 3.635 2.330 14.481 1.00 26.03 O ATOM 1738 CB LEU A 54 6.294 1.811 16.034 1.00 14.49 C ATOM 1739 CG LEU A 54 7.304 2.410 17.019 1.00 19.76 C ATOM 1740 CD1 LEU A 54 7.831 1.318 17.899 1.00 20.41 C ATOM 1741 CD2 LEU A 54 8.451 3.007 16.297 1.00 14.90 C ATOM 1742 N PRO A 55 5.076 1.833 12.810 1.00 24.33 N ATOM 1743 CA PRO A 55 3.934 1.433 11.977 1.00 22.91 C ATOM 1744 C PRO A 55 3.364 0.037 12.384 1.00 25.29 C ATOM 1745 O PRO A 55 4.052 -0.757 13.071 1.00 26.98 O ATOM 1746 CB PRO A 55 4.541 1.384 10.605 1.00 22.14 C ATOM 1747 CG PRO A 55 5.974 0.853 10.893 1.00 23.77 C ATOM 1748 CD PRO A 55 6.362 1.628 12.124 1.00 20.83 C ATOM 1749 N ASN A 56 2.126 -0.239 11.997 1.00 21.70 N ATOM 1750 CA ASN A 56 1.517 -1.558 12.133 1.00 20.11 C ATOM 1751 C ASN A 56 1.258 -1.985 13.535 1.00 19.17 C ATOM 1752 O ASN A 56 1.324 -3.160 13.883 1.00 17.77 O ATOM 1753 CB ASN A 56 2.220 -2.642 11.321 1.00 27.69 C ATOM 1754 CG ASN A 56 2.368 -2.260 9.800 1.00 37.63 C ATOM 1755 OD1 ASN A 56 1.427 -1.707 9.196 1.00 39.85 O ATOM 1756 ND2 ASN A 56 3.560 -2.532 9.207 1.00 31.99 N ATOM 1757 N ARG A 57 0.900 -1.029 14.361 1.00 18.52 N ATOM 1758 CA ARG A 57 0.813 -1.304 15.778 1.00 20.14 C ATOM 1759 C ARG A 57 0.110 -0.114 16.375 1.00 22.21 C ATOM 1760 O ARG A 57 0.189 0.993 15.861 1.00 21.47 O ATOM 1761 CB ARG A 57 2.200 -1.713 16.395 1.00 20.86 C ATOM 1762 CG ARG A 57 3.079 -0.753 17.226 1.00 16.20 C ATOM 1763 CD ARG A 57 4.573 -1.250 17.121 1.00 18.81 C ATOM 1764 NE ARG A 57 4.864 -1.696 15.759 1.00 17.32 N ATOM 1765 CZ ARG A 57 5.866 -2.492 15.385 1.00 32.06 C ATOM 1766 NH1 ARG A 57 6.758 -2.923 16.258 1.00 26.70 N ATOM 1767 NH2 ARG A 57 5.985 -2.858 14.113 1.00 33.41 N ATOM 1768 N ARG A 58 -0.675 -0.363 17.404 1.00 20.92 N ATOM 1769 CA ARG A 58 -1.263 0.699 18.129 1.00 17.97 C ATOM 1770 C ARG A 58 -0.246 1.312 19.115 1.00 16.82 C ATOM 1771 O ARG A 58 0.337 0.622 19.944 1.00 18.21 O ATOM 1772 CB ARG A 58 -2.564 0.189 18.826 1.00 20.37 C ATOM 1773 CG ARG A 58 -3.221 1.285 19.611 1.00 17.15 C ATOM 1774 CD ARG A 58 -4.336 0.775 20.326 1.00 25.97 C ATOM 1775 NE ARG A 58 -5.053 1.861 20.939 1.00 24.15 N ATOM 1776 CZ ARG A 58 -5.983 1.676 21.870 1.00 31.70 C ATOM 1777 NH1 ARG A 58 -6.280 0.457 22.320 1.00 33.59 N ATOM 1778 NH2 ARG A 58 -6.612 2.704 22.361 1.00 17.53 N ATOM 1779 N ASN A 59 -0.011 2.611 18.964 1.00 16.73 N ATOM 1780 CA ASN A 59 0.872 3.387 19.844 1.00 20.08 C ATOM 1781 C ASN A 59 0.090 4.110 20.856 1.00 16.42 C ATOM 1782 O ASN A 59 -0.780 4.783 20.510 1.00 14.69 O ATOM 1783 CB ASN A 59 1.679 4.452 19.081 1.00 15.73 C ATOM 1784 CG ASN A 59 2.595 3.876 18.001 1.00 22.07 C ATOM 1785 OD1 ASN A 59 3.768 4.109 18.068 1.00 23.59 O ATOM 1786 ND2 ASN A 59 2.054 3.175 16.989 1.00 18.95 N ATOM 1787 N VAL A 60 0.435 3.948 22.117 1.00 18.73 N ATOM 1788 CA VAL A 60 -0.232 4.561 23.219 1.00 15.62 C ATOM 1789 C VAL A 60 0.857 5.266 23.992 1.00 17.59 C ATOM 1790 O VAL A 60 1.881 4.681 24.252 1.00 15.76 O ATOM 1791 CB VAL A 60 -0.937 3.476 24.039 1.00 17.99 C ATOM 1792 CG1 VAL A 60 -1.583 4.047 25.364 1.00 7.86 C ATOM 1793 CG2 VAL A 60 -1.967 2.915 23.178 1.00 7.86 C ATOM 1794 N VAL A 61 0.648 6.557 24.268 1.00 20.11 N ATOM 1795 CA VAL A 61 1.508 7.368 25.113 1.00 18.23 C ATOM 1796 C VAL A 61 0.837 7.691 26.449 1.00 23.29 C ATOM 1797 O VAL A 61 -0.372 8.004 26.481 1.00 17.98 O ATOM 1798 CB VAL A 61 1.879 8.634 24.396 1.00 16.69 C ATOM 1799 CG1 VAL A 61 2.757 9.388 25.225 1.00 21.20 C ATOM 1800 CG2 VAL A 61 2.670 8.276 23.063 1.00 18.28 C ATOM 1801 N LEU A 62 1.597 7.558 27.547 1.00 20.60 N ATOM 1802 CA LEU A 62 1.117 7.857 28.863 1.00 21.89 C ATOM 1803 C LEU A 62 1.727 9.177 29.328 1.00 24.34 C ATOM 1804 O LEU A 62 2.948 9.294 29.413 1.00 23.70 O ATOM 1805 CB LEU A 62 1.562 6.739 29.813 1.00 23.43 C ATOM 1806 CG LEU A 62 1.362 6.948 31.324 1.00 27.59 C ATOM 1807 CD1 LEU A 62 -0.108 7.122 31.699 1.00 32.96 C ATOM 1808 CD2 LEU A 62 1.942 5.732 32.029 1.00 29.89 C ATOM 1809 N THR A 63 0.896 10.175 29.616 1.00 23.74 N ATOM 1810 CA THR A 63 1.375 11.557 29.832 1.00 22.94 C ATOM 1811 C THR A 63 0.230 12.266 30.541 1.00 24.02 C ATOM 1812 O THR A 63 -0.935 11.912 30.402 1.00 24.67 O ATOM 1813 CB THR A 63 1.744 12.316 28.471 1.00 27.25 C ATOM 1814 OG1 THR A 63 2.401 13.583 28.731 1.00 24.61 O ATOM 1815 CG2 THR A 63 0.449 12.508 27.585 1.00 21.98 C ATOM 1816 N ASN A 64 0.572 13.233 31.365 1.00 25.96 N ATOM 1817 CA ASN A 64 -0.428 13.981 32.079 1.00 26.41 C ATOM 1818 C ASN A 64 -0.271 15.417 31.527 1.00 27.81 C ATOM 1819 O ASN A 64 -0.722 16.365 32.117 1.00 31.67 O ATOM 1820 CB ASN A 64 -0.199 13.877 33.622 1.00 26.48 C ATOM 1821 CG ASN A 64 1.218 14.290 34.051 0.50 27.58 C ATOM 1822 OD1 ASN A 64 1.790 15.317 33.614 0.50 25.75 O ATOM 1823 ND2 ASN A 64 1.781 13.494 34.943 0.50 31.38 N ATOM 1824 N GLN A 65 0.380 15.558 30.377 1.00 25.31 N ATOM 1825 CA GLN A 65 0.379 16.800 29.665 1.00 24.71 C ATOM 1826 C GLN A 65 -0.819 16.938 28.715 1.00 23.72 C ATOM 1827 O GLN A 65 -0.894 16.238 27.707 1.00 25.82 O ATOM 1828 CB GLN A 65 1.657 16.918 28.911 1.00 20.81 C ATOM 1829 CG GLN A 65 1.785 18.235 28.165 1.00 36.72 C ATOM 1830 CD GLN A 65 2.949 18.204 27.168 1.00 36.59 C ATOM 1831 OE1 GLN A 65 4.091 17.863 27.549 1.00 41.73 O ATOM 1832 NE2 GLN A 65 2.665 18.533 25.895 1.00 29.41 N ATOM 1833 N ALA A 66 -1.737 17.866 29.027 1.00 22.23 N ATOM 1834 CA ALA A 66 -3.101 17.893 28.428 1.00 17.72 C ATOM 1835 C ALA A 66 -3.081 18.261 26.954 1.00 16.41 C ATOM 1836 O ALA A 66 -3.906 17.758 26.178 1.00 13.77 O ATOM 1837 CB ALA A 66 -3.963 18.899 29.181 1.00 23.34 C ATOM 1838 N SER A 67 -2.157 19.171 26.600 1.00 16.27 N ATOM 1839 CA SER A 67 -1.857 19.623 25.226 1.00 18.44 C ATOM 1840 C SER A 67 -1.166 18.538 24.350 1.00 18.75 C ATOM 1841 O SER A 67 -0.949 18.745 23.177 1.00 23.23 O ATOM 1842 CB SER A 67 -0.935 20.867 25.253 1.00 17.09 C ATOM 1843 OG SER A 67 0.365 20.588 25.848 1.00 24.21 O ATOM 1844 N PHE A 68 -0.774 17.398 24.899 1.00 19.33 N ATOM 1845 CA PHE A 68 -0.073 16.493 24.070 1.00 17.73 C ATOM 1846 C PHE A 68 -0.975 15.938 22.895 1.00 20.78 C ATOM 1847 O PHE A 68 -2.128 15.533 23.076 1.00 23.30 O ATOM 1848 CB PHE A 68 0.607 15.403 24.894 1.00 17.91 C ATOM 1849 CG PHE A 68 1.287 14.399 24.041 1.00 17.94 C ATOM 1850 CD1 PHE A 68 2.545 14.648 23.572 1.00 23.33 C ATOM 1851 CD2 PHE A 68 0.595 13.271 23.572 1.00 15.80 C ATOM 1852 CE1 PHE A 68 3.158 13.752 22.702 1.00 25.78 C ATOM 1853 CE2 PHE A 68 1.196 12.385 22.711 1.00 24.16 C ATOM 1854 CZ PHE A 68 2.494 12.639 22.282 1.00 20.86 C ATOM 1855 N HIS A 69 -0.433 15.919 21.685 1.00 21.49 N ATOM 1856 CA HIS A 69 -1.077 15.245 20.588 1.00 21.11 C ATOM 1857 C HIS A 69 0.002 14.737 19.650 1.00 23.01 C ATOM 1858 O HIS A 69 0.953 15.442 19.373 1.00 18.25 O ATOM 1859 CB HIS A 69 -1.910 16.258 19.787 1.00 22.66 C ATOM 1860 CG HIS A 69 -2.593 15.647 18.611 1.00 18.80 C ATOM 1861 ND1 HIS A 69 -3.804 14.984 18.716 1.00 17.83 N ATOM 1862 CD2 HIS A 69 -2.204 15.519 17.328 1.00 10.90 C ATOM 1863 CE1 HIS A 69 -4.136 14.475 17.543 1.00 6.83 C ATOM 1864 NE2 HIS A 69 -3.187 14.787 16.680 1.00 11.52 N ATOM 1865 N HIS A 70 -0.164 13.531 19.112 1.00 24.40 N ATOM 1866 CA HIS A 70 0.490 13.223 17.861 1.00 20.31 C ATOM 1867 C HIS A 70 -0.477 12.447 17.012 1.00 21.30 C ATOM 1868 O HIS A 70 -1.233 11.599 17.525 1.00 24.27 O ATOM 1869 CB HIS A 70 1.825 12.541 18.098 1.00 23.98 C ATOM 1870 CG HIS A 70 2.744 12.592 16.922 1.00 20.87 C ATOM 1871 ND1 HIS A 70 2.542 11.830 15.780 1.00 27.57 N ATOM 1872 CD2 HIS A 70 3.886 13.277 16.722 1.00 17.78 C ATOM 1873 CE1 HIS A 70 3.514 12.071 14.921 1.00 18.63 C ATOM 1874 NE2 HIS A 70 4.329 12.960 15.459 1.00 20.73 N ATOM 1875 N GLU A 71 -0.579 12.814 15.734 1.00 19.00 N ATOM 1876 CA GLU A 71 -1.299 11.994 14.771 1.00 22.02 C ATOM 1877 C GLU A 71 -0.845 10.506 14.892 1.00 23.14 C ATOM 1878 O GLU A 71 0.360 10.203 14.862 1.00 24.84 O ATOM 1879 CB GLU A 71 -1.073 12.544 13.356 1.00 22.03 C ATOM 1880 CG GLU A 71 -1.876 13.812 13.019 1.00 28.92 C ATOM 1881 CD GLU A 71 -3.411 13.584 13.075 1.00 35.42 C ATOM 1882 OE1 GLU A 71 -3.986 12.918 12.187 1.00 45.77 O ATOM 1883 OE2 GLU A 71 -4.056 14.041 14.027 1.00 30.42 O ATOM 1884 N GLY A 72 -1.794 9.594 15.066 1.00 24.75 N ATOM 1885 CA GLY A 72 -1.476 8.169 15.116 1.00 23.20 C ATOM 1886 C GLY A 72 -1.013 7.602 16.448 1.00 22.72 C ATOM 1887 O GLY A 72 -0.675 6.406 16.527 1.00 20.85 O ATOM 1888 N VAL A 73 -0.982 8.468 17.471 1.00 22.27 N ATOM 1889 CA VAL A 73 -0.826 8.108 18.883 1.00 21.18 C ATOM 1890 C VAL A 73 -2.166 8.303 19.658 1.00 23.14 C ATOM 1891 O VAL A 73 -2.770 9.388 19.595 1.00 22.70 O ATOM 1892 CB VAL A 73 0.310 8.961 19.470 1.00 21.49 C ATOM 1893 CG1 VAL A 73 0.604 8.606 20.893 1.00 19.86 C ATOM 1894 CG2 VAL A 73 1.526 8.764 18.617 1.00 11.29 C ATOM 1895 N ASP A 74 -2.629 7.250 20.368 1.00 21.64 N ATOM 1896 CA ASP A 74 -3.620 7.358 21.444 1.00 22.49 C ATOM 1897 C ASP A 74 -2.971 7.723 22.768 1.00 23.27 C ATOM 1898 O ASP A 74 -1.875 7.313 23.031 1.00 28.63 O ATOM 1899 CB ASP A 74 -4.433 6.055 21.608 1.00 23.62 C ATOM 1900 CG ASP A 74 -5.144 5.613 20.308 1.00 29.20 C ATOM 1901 OD1 ASP A 74 -5.677 6.497 19.615 1.00 33.22 O ATOM 1902 OD2 ASP A 74 -5.186 4.384 19.979 1.00 35.04 O ATOM 1903 N VAL A 75 -3.627 8.488 23.620 1.00 24.85 N ATOM 1904 CA VAL A 75 -2.961 9.029 24.841 1.00 23.54 C ATOM 1905 C VAL A 75 -3.740 8.506 26.046 1.00 26.11 C ATOM 1906 O VAL A 75 -4.934 8.349 25.940 1.00 26.68 O ATOM 1907 CB VAL A 75 -3.072 10.541 24.890 1.00 23.47 C ATOM 1908 CG1 VAL A 75 -2.869 11.007 26.263 1.00 17.52 C ATOM 1909 CG2 VAL A 75 -2.152 11.188 23.876 1.00 19.58 C ATOM 1910 N ILE A 76 -3.056 8.148 27.147 1.00 25.50 N ATOM 1911 CA ILE A 76 -3.689 7.818 28.396 1.00 17.26 C ATOM 1912 C ILE A 76 -3.040 8.677 29.429 1.00 19.56 C ATOM 1913 O ILE A 76 -1.920 9.184 29.211 1.00 19.14 O ATOM 1914 CB ILE A 76 -3.650 6.355 28.748 1.00 18.59 C ATOM 1915 CG1 ILE A 76 -2.224 5.822 28.856 1.00 22.64 C ATOM 1916 CG2 ILE A 76 -4.401 5.594 27.753 1.00 19.37 C ATOM 1917 CD1 ILE A 76 -2.096 4.415 29.411 1.00 27.22 C ATOM 1918 N ASN A 77 -3.754 8.918 30.529 1.00 21.05 N ATOM 1919 CA ASN A 77 -3.288 9.895 31.520 1.00 26.32 C ATOM 1920 C ASN A 77 -2.945 9.272 32.821 1.00 25.49 C ATOM 1921 O ASN A 77 -2.143 9.823 33.569 1.00 29.57 O ATOM 1922 CB ASN A 77 -4.266 11.076 31.727 1.00 24.82 C ATOM 1923 CG ASN A 77 -4.528 11.834 30.444 1.00 28.03 C ATOM 1924 OD1 ASN A 77 -5.662 11.911 30.021 1.00 29.71 O ATOM 1925 ND2 ASN A 77 -3.464 12.396 29.805 1.00 27.41 N ATOM 1926 N SER A 78 -3.525 8.105 33.067 1.00 26.85 N ATOM 1927 CA SER A 78 -3.257 7.354 34.294 1.00 31.81 C ATOM 1928 C SER A 78 -2.788 5.907 34.033 1.00 30.33 C ATOM 1929 O SER A 78 -3.128 5.335 33.033 1.00 28.31 O ATOM 1930 CB SER A 78 -4.533 7.287 35.170 1.00 32.13 C ATOM 1931 OG SER A 78 -5.555 6.563 34.480 1.00 43.97 O ATOM 1932 N LEU A 79 -2.047 5.330 34.984 1.00 31.95 N ATOM 1933 CA LEU A 79 -1.780 3.885 35.031 1.00 33.70 C ATOM 1934 C LEU A 79 -2.983 2.981 34.845 1.00 31.53 C ATOM 1935 O LEU A 79 -2.950 2.129 34.019 1.00 36.95 O ATOM 1936 CB LEU A 79 -0.899 3.530 36.265 1.00 35.41 C ATOM 1937 CG LEU A 79 0.442 4.240 35.980 1.00 35.16 C ATOM 1938 CD1 LEU A 79 1.354 4.527 37.176 1.00 38.98 C ATOM 1939 CD2 LEU A 79 1.143 3.634 34.763 1.00 23.61 C ATOM 1940 N ASP A 80 -4.060 3.209 35.581 1.00 30.34 N ATOM 1941 CA ASP A 80 -5.306 2.470 35.487 1.00 31.26 C ATOM 1942 C ASP A 80 -5.886 2.293 34.085 1.00 31.63 C ATOM 1943 O ASP A 80 -6.754 1.451 33.876 1.00 35.40 O ATOM 1944 CB ASP A 80 -6.381 3.205 36.332 0.50 32.85 C ATOM 1945 CG ASP A 80 -5.934 3.442 37.756 0.50 36.57 C ATOM 1946 OD1 ASP A 80 -5.413 2.476 38.368 0.50 33.93 O ATOM 1947 OD2 ASP A 80 -6.089 4.581 38.252 0.50 36.54 O ATOM 1948 N GLU A 81 -5.522 3.129 33.125 1.00 32.46 N ATOM 1949 CA GLU A 81 -6.194 3.008 31.828 1.00 29.78 C ATOM 1950 C GLU A 81 -5.515 1.899 30.972 1.00 30.08 C ATOM 1951 O GLU A 81 -6.046 1.510 29.926 1.00 30.57 O ATOM 1952 CB GLU A 81 -6.238 4.360 31.072 1.00 31.66 C ATOM 1953 CG GLU A 81 -7.218 5.464 31.562 1.00 22.54 C ATOM 1954 CD GLU A 81 -6.969 6.788 30.836 1.00 29.71 C ATOM 1955 OE1 GLU A 81 -7.367 6.951 29.646 1.00 37.91 O ATOM 1956 OE2 GLU A 81 -6.350 7.692 31.423 1.00 34.22 O ATOM 1957 N ILE A 82 -4.329 1.452 31.405 1.00 29.23 N ATOM 1958 CA ILE A 82 -3.518 0.488 30.681 1.00 30.33 C ATOM 1959 C ILE A 82 -4.181 -0.893 30.743 1.00 33.55 C ATOM 1960 O ILE A 82 -4.238 -1.641 29.725 1.00 29.11 O ATOM 1961 CB ILE A 82 -2.081 0.344 31.314 1.00 30.58 C ATOM 1962 CG1 ILE A 82 -1.216 1.555 30.950 1.00 28.55 C ATOM 1963 CG2 ILE A 82 -1.432 -0.947 30.789 1.00 23.67 C ATOM 1964 CD1 ILE A 82 -0.068 1.731 31.785 1.00 24.13 C ATOM 1965 N LYS A 83 -4.668 -1.225 31.956 1.00 37.28 N ATOM 1966 CA LYS A 83 -5.463 -2.452 32.192 1.00 36.90 C ATOM 1967 C LYS A 83 -6.841 -2.533 31.465 1.00 37.67 C ATOM 1968 O LYS A 83 -7.307 -3.613 31.150 1.00 38.15 O ATOM 1969 CB LYS A 83 -5.429 -2.910 33.661 1.00 37.92 C ATOM 1970 CG LYS A 83 -6.295 -2.087 34.650 0.50 45.04 C ATOM 1971 CD LYS A 83 -7.080 -3.006 35.611 0.50 53.37 C ATOM 1972 CE LYS A 83 -8.055 -3.979 34.849 0.50 54.38 C ATOM 1973 NZ LYS A 83 -7.816 -5.463 35.077 0.50 44.82 N ATOM 1974 N GLU A 84 -7.422 -1.396 31.091 1.00 38.07 N ATOM 1975 CA GLU A 84 -8.560 -1.365 30.135 1.00 38.04 C ATOM 1976 C GLU A 84 -8.198 -1.472 28.608 1.00 37.52 C ATOM 1977 O GLU A 84 -9.099 -1.404 27.735 1.00 36.78 O ATOM 1978 CB GLU A 84 -9.414 -0.095 30.374 0.50 35.46 C ATOM 1979 CG GLU A 84 -9.209 0.538 31.756 0.50 36.35 C ATOM 1980 CD GLU A 84 -10.014 1.830 31.960 0.50 41.79 C ATOM 1981 OE1 GLU A 84 -10.858 2.145 31.082 0.50 45.06 O ATOM 1982 OE2 GLU A 84 -9.806 2.531 32.993 0.50 39.26 O ATOM 1983 N LEU A 85 -6.915 -1.585 28.250 1.00 31.34 N ATOM 1984 CA LEU A 85 -6.632 -1.523 26.850 1.00 27.66 C ATOM 1985 C LEU A 85 -6.891 -2.900 26.375 1.00 28.10 C ATOM 1986 O LEU A 85 -6.611 -3.847 27.094 1.00 29.34 O ATOM 1987 CB LEU A 85 -5.196 -1.110 26.532 1.00 26.56 C ATOM 1988 CG LEU A 85 -4.790 0.338 26.809 1.00 27.18 C ATOM 1989 CD1 LEU A 85 -3.319 0.498 26.574 1.00 22.09 C ATOM 1990 CD2 LEU A 85 -5.595 1.432 26.101 1.00 19.80 C ATOM 1991 N SER A 86 -7.411 -3.037 25.166 1.00 26.38 N ATOM 1992 CA SER A 86 -7.643 -4.348 24.636 1.00 23.60 C ATOM 1993 C SER A 86 -6.449 -5.002 23.869 1.00 25.16 C ATOM 1994 O SER A 86 -5.532 -4.311 23.471 1.00 28.97 O ATOM 1995 CB SER A 86 -8.945 -4.286 23.813 1.00 25.72 C ATOM 1996 OG SER A 86 -8.660 -4.027 22.456 1.00 31.23 O ATOM 1997 N GLY A 87 -6.478 -6.326 23.651 1.00 24.26 N ATOM 1998 CA GLY A 87 -5.520 -7.055 22.789 1.00 19.37 C ATOM 1999 C GLY A 87 -4.297 -7.425 23.620 1.00 18.92 C ATOM 2000 O GLY A 87 -4.351 -7.476 24.877 1.00 18.88 O ATOM 2001 N HIS A 88 -3.187 -7.672 22.954 1.00 13.95 N ATOM 2002 CA HIS A 88 -1.938 -7.889 23.674 1.00 16.35 C ATOM 2003 C HIS A 88 -1.171 -6.554 23.839 1.00 18.40 C ATOM 2004 O HIS A 88 -0.860 -5.888 22.850 1.00 19.75 O ATOM 2005 CB HIS A 88 -1.082 -8.884 22.946 1.00 17.67 C ATOM 2006 CG HIS A 88 0.079 -9.374 23.758 1.00 19.16 C ATOM 2007 ND1 HIS A 88 0.773 -10.520 23.442 1.00 21.20 N ATOM 2008 CD2 HIS A 88 0.647 -8.894 24.889 1.00 20.32 C ATOM 2009 CE1 HIS A 88 1.731 -10.721 24.328 1.00 15.36 C ATOM 2010 NE2 HIS A 88 1.673 -9.753 25.224 1.00 18.83 N ATOM 2011 N VAL A 89 -0.951 -6.137 25.089 1.00 18.49 N ATOM 2012 CA VAL A 89 -0.409 -4.822 25.375 1.00 21.85 C ATOM 2013 C VAL A 89 1.028 -4.986 25.944 1.00 21.03 C ATOM 2014 O VAL A 89 1.250 -5.768 26.882 1.00 18.25 O ATOM 2015 CB VAL A 89 -1.344 -4.035 26.368 1.00 22.23 C ATOM 2016 CG1 VAL A 89 -0.627 -2.752 26.907 1.00 19.88 C ATOM 2017 CG2 VAL A 89 -2.686 -3.727 25.724 1.00 14.48 C ATOM 2018 N PHE A 90 1.991 -4.275 25.352 1.00 20.35 N ATOM 2019 CA PHE A 90 3.370 -4.273 25.792 1.00 15.03 C ATOM 2020 C PHE A 90 3.705 -2.947 26.443 1.00 16.81 C ATOM 2021 O PHE A 90 3.283 -1.911 25.985 1.00 15.04 O ATOM 2022 CB PHE A 90 4.333 -4.543 24.611 1.00 18.65 C ATOM 2023 CG PHE A 90 4.220 -5.932 24.023 1.00 18.61 C ATOM 2024 CD1 PHE A 90 5.041 -6.972 24.477 1.00 13.19 C ATOM 2025 CD2 PHE A 90 3.311 -6.191 23.023 1.00 18.09 C ATOM 2026 CE1 PHE A 90 4.908 -8.266 23.952 1.00 15.54 C ATOM 2027 CE2 PHE A 90 3.178 -7.460 22.484 1.00 19.54 C ATOM 2028 CZ PHE A 90 4.017 -8.501 22.933 1.00 12.93 C ATOM 2029 N ILE A 91 4.479 -2.986 27.510 1.00 16.39 N ATOM 2030 CA ILE A 91 4.754 -1.815 28.350 1.00 19.06 C ATOM 2031 C ILE A 91 6.234 -1.563 28.223 1.00 16.77 C ATOM 2032 O ILE A 91 6.996 -2.475 28.427 1.00 17.40 O ATOM 2033 CB ILE A 91 4.397 -2.080 29.864 1.00 19.91 C ATOM 2034 CG1 ILE A 91 2.849 -2.094 30.054 1.00 21.54 C ATOM 2035 CG2 ILE A 91 5.134 -1.127 30.809 1.00 14.33 C ATOM 2036 CD1 ILE A 91 2.417 -2.962 31.256 1.00 29.33 C ATOM 2037 N PHE A 92 6.618 -0.332 27.860 1.00 16.49 N ATOM 2038 CA PHE A 92 7.935 -0.009 27.323 1.00 22.49 C ATOM 2039 C PHE A 92 8.311 1.413 27.814 1.00 22.56 C ATOM 2040 O PHE A 92 7.668 2.357 27.419 1.00 24.44 O ATOM 2041 CB PHE A 92 7.871 -0.096 25.774 1.00 23.99 C ATOM 2042 CG PHE A 92 9.186 0.077 25.107 1.00 23.54 C ATOM 2043 CD1 PHE A 92 10.238 -0.784 25.396 1.00 18.28 C ATOM 2044 CD2 PHE A 92 9.382 1.112 24.172 1.00 35.72 C ATOM 2045 CE1 PHE A 92 11.516 -0.623 24.774 1.00 17.59 C ATOM 2046 CE2 PHE A 92 10.637 1.303 23.533 1.00 32.01 C ATOM 2047 CZ PHE A 92 11.697 0.440 23.837 1.00 28.97 C ATOM 2048 N GLY A 93 9.309 1.562 28.694 1.00 25.23 N ATOM 2049 CA GLY A 93 9.633 2.872 29.382 1.00 25.19 C ATOM 2050 C GLY A 93 11.077 2.809 29.868 1.00 29.01 C ATOM 2051 O GLY A 93 11.904 2.249 29.171 1.00 31.40 O ATOM 2052 N GLY A 94 11.472 3.346 31.027 1.00 28.55 N ATOM 2053 CA GLY A 94 10.698 4.002 31.976 1.00 22.72 C ATOM 2054 C GLY A 94 10.867 3.193 33.244 1.00 21.95 C ATOM 2055 O GLY A 94 9.959 2.463 33.586 1.00 22.05 O ATOM 2056 N GLN A 95 11.964 3.354 33.986 1.00 23.55 N ATOM 2057 CA GLN A 95 12.040 2.871 35.382 1.00 25.00 C ATOM 2058 C GLN A 95 10.747 3.042 36.214 1.00 25.99 C ATOM 2059 O GLN A 95 10.246 2.105 36.858 1.00 27.43 O ATOM 2060 CB GLN A 95 13.199 3.512 36.155 1.00 25.92 C ATOM 2061 CG GLN A 95 13.026 3.271 37.659 1.00 24.38 C ATOM 2062 CD GLN A 95 14.249 3.460 38.572 1.00 26.47 C ATOM 2063 OE1 GLN A 95 15.328 3.813 38.175 1.00 28.08 O ATOM 2064 NE2 GLN A 95 14.034 3.194 39.839 1.00 26.47 N ATOM 2065 N THR A 96 10.179 4.236 36.223 1.00 28.83 N ATOM 2066 CA THR A 96 8.943 4.442 36.988 1.00 25.74 C ATOM 2067 C THR A 96 7.702 3.737 36.347 1.00 23.54 C ATOM 2068 O THR A 96 6.764 3.324 37.034 1.00 28.04 O ATOM 2069 CB THR A 96 8.709 5.972 37.370 1.00 28.41 C ATOM 2070 OG1 THR A 96 8.213 6.668 36.260 1.00 31.10 O ATOM 2071 CG2 THR A 96 9.986 6.708 37.794 1.00 31.95 C ATOM 2072 N LEU A 97 7.695 3.518 35.047 1.00 20.72 N ATOM 2073 CA LEU A 97 6.553 2.764 34.451 1.00 21.48 C ATOM 2074 C LEU A 97 6.681 1.297 34.813 1.00 21.06 C ATOM 2075 O LEU A 97 5.698 0.658 35.115 1.00 25.96 O ATOM 2076 CB LEU A 97 6.564 2.912 32.910 1.00 19.69 C ATOM 2077 CG LEU A 97 5.481 2.240 32.091 1.00 18.10 C ATOM 2078 CD1 LEU A 97 4.187 2.637 32.631 1.00 13.94 C ATOM 2079 CD2 LEU A 97 5.564 2.737 30.677 1.00 7.60 C ATOM 2080 N TYR A 98 7.910 0.764 34.809 1.00 18.27 N ATOM 2081 CA TYR A 98 8.189 -0.615 35.259 1.00 20.18 C ATOM 2082 C TYR A 98 7.892 -0.967 36.721 1.00 20.21 C ATOM 2083 O TYR A 98 7.279 -2.022 36.955 1.00 22.90 O ATOM 2084 CB TYR A 98 9.618 -1.021 34.954 1.00 19.25 C ATOM 2085 CG TYR A 98 9.933 -1.003 33.497 1.00 14.81 C ATOM 2086 CD1 TYR A 98 11.073 -0.417 33.044 1.00 14.75 C ATOM 2087 CD2 TYR A 98 9.079 -1.573 32.569 1.00 23.29 C ATOM 2088 CE1 TYR A 98 11.391 -0.422 31.698 1.00 12.43 C ATOM 2089 CE2 TYR A 98 9.389 -1.568 31.245 1.00 11.72 C ATOM 2090 CZ TYR A 98 10.545 -1.003 30.815 1.00 11.46 C ATOM 2091 OH TYR A 98 10.882 -0.976 29.451 1.00 13.05 O ATOM 2092 N GLU A 99 8.276 -0.106 37.679 1.00 15.55 N ATOM 2093 CA GLU A 99 7.844 -0.227 39.095 1.00 20.68 C ATOM 2094 C GLU A 99 6.330 -0.249 39.287 1.00 22.11 C ATOM 2095 O GLU A 99 5.822 -1.008 40.129 1.00 23.26 O ATOM 2096 CB GLU A 99 8.458 0.907 39.977 1.00 21.57 C ATOM 2097 CG GLU A 99 9.902 1.004 39.657 1.00 28.31 C ATOM 2098 CD GLU A 99 10.756 1.868 40.544 1.00 33.03 C ATOM 2099 OE1 GLU A 99 10.422 3.032 40.854 1.00 29.08 O ATOM 2100 OE2 GLU A 99 11.847 1.356 40.861 1.00 37.52 O ATOM 2101 N ALA A 100 5.620 0.580 38.503 1.00 19.95 N ATOM 2102 CA ALA A 100 4.197 0.765 38.668 1.00 18.05 C ATOM 2103 C ALA A 100 3.462 -0.456 38.110 1.00 22.07 C ATOM 2104 O ALA A 100 2.357 -0.803 38.594 1.00 23.57 O ATOM 2105 CB ALA A 100 3.711 2.115 37.989 1.00 15.43 C ATOM 2106 N MET A 101 4.084 -1.099 37.114 1.00 21.71 N ATOM 2107 CA MET A 101 3.441 -2.086 36.251 1.00 21.27 C ATOM 2108 C MET A 101 3.963 -3.484 36.478 1.00 21.98 C ATOM 2109 O MET A 101 3.304 -4.424 36.072 1.00 22.61 O ATOM 2110 CB MET A 101 3.599 -1.712 34.778 1.00 21.65 C ATOM 2111 CG MET A 101 2.603 -0.645 34.259 1.00 20.92 C ATOM 2112 SD MET A 101 0.954 -0.648 35.049 1.00 28.29 S ATOM 2113 CE MET A 101 0.263 -2.002 34.136 1.00 16.29 C ATOM 2114 N ILE A 102 5.142 -3.638 37.121 1.00 22.77 N ATOM 2115 CA ILE A 102 5.704 -5.001 37.346 1.00 21.60 C ATOM 2116 C ILE A 102 4.810 -5.986 38.137 1.00 23.34 C ATOM 2117 O ILE A 102 4.766 -7.169 37.801 1.00 18.47 O ATOM 2118 CB ILE A 102 7.143 -5.028 37.940 1.00 22.67 C ATOM 2119 CG1 ILE A 102 7.714 -6.470 37.769 1.00 20.40 C ATOM 2120 CG2 ILE A 102 7.089 -4.584 39.438 1.00 12.89 C ATOM 2121 CD1 ILE A 102 9.231 -6.665 37.993 1.00 19.85 C ATOM 2122 N AASP A 103 4.103 -5.545 39.181 0.50 23.31 N ATOM 2123 CA AASP A 103 3.193 -6.458 39.897 0.50 23.88 C ATOM 2124 C AASP A 103 1.825 -6.584 39.216 0.50 25.41 C ATOM 2125 O AASP A 103 0.937 -7.252 39.727 0.50 23.99 O ATOM 2126 CB AASP A 103 3.016 -6.033 41.368 0.50 24.39 C ATOM 2127 CG AASP A 103 4.347 -5.964 42.127 0.50 23.72 C ATOM 2128 OD1AASP A 103 5.081 -6.968 42.170 0.50 23.33 O ATOM 2129 OD2AASP A 103 4.669 -4.901 42.674 0.50 28.42 O ATOM 2130 N BASP A 103 4.165 -5.401 39.165 0.50 23.18 N ATOM 2131 CA BASP A 103 3.125 -5.967 40.024 0.50 24.56 C ATOM 2132 C BASP A 103 1.789 -6.306 39.335 0.50 25.28 C ATOM 2133 O BASP A 103 0.909 -6.897 39.945 0.50 23.42 O ATOM 2134 CB BASP A 103 2.890 -5.065 41.280 0.50 21.97 C ATOM 2135 CG BASP A 103 3.005 -3.519 41.000 0.50 26.74 C ATOM 2136 OD1BASP A 103 4.143 -2.966 40.843 0.50 8.29 O ATOM 2137 OD2BASP A 103 1.934 -2.828 41.030 0.50 25.93 O ATOM 2138 N GLN A 104 1.645 -5.936 38.063 1.00 26.33 N ATOM 2139 CA GLN A 104 0.367 -5.995 37.357 1.00 23.93 C ATOM 2140 C GLN A 104 0.480 -6.865 36.114 1.00 21.76 C ATOM 2141 O GLN A 104 -0.479 -7.453 35.687 1.00 27.48 O ATOM 2142 CB GLN A 104 -0.002 -4.576 36.927 1.00 26.12 C ATOM 2143 CG GLN A 104 -1.204 -3.950 37.564 1.00 39.07 C ATOM 2144 CD GLN A 104 -0.872 -3.477 38.949 1.00 54.64 C ATOM 2145 OE1 GLN A 104 0.176 -2.835 39.176 1.00 54.21 O ATOM 2146 NE2 GLN A 104 -1.727 -3.832 39.912 1.00 53.17 N ATOM 2147 N VAL A 105 1.634 -6.919 35.467 1.00 19.49 N ATOM 2148 CA VAL A 105 1.728 -7.597 34.178 1.00 13.64 C ATOM 2149 C VAL A 105 1.612 -9.146 34.306 1.00 15.34 C ATOM 2150 O VAL A 105 1.863 -9.696 35.389 1.00 18.81 O ATOM 2151 CB VAL A 105 3.007 -7.149 33.419 1.00 15.21 C ATOM 2152 CG1 VAL A 105 3.037 -5.522 33.051 1.00 9.07 C ATOM 2153 CG2 VAL A 105 4.274 -7.742 34.077 1.00 7.92 C ATOM 2154 N ASP A 106 1.222 -9.832 33.217 1.00 13.14 N ATOM 2155 CA ASP A 106 1.185 -11.278 33.127 1.00 13.99 C ATOM 2156 C ASP A 106 2.581 -11.863 32.866 1.00 17.52 C ATOM 2157 O ASP A 106 2.881 -13.043 33.167 1.00 15.86 O ATOM 2158 CB ASP A 106 0.245 -11.744 31.958 1.00 11.47 C ATOM 2159 CG ASP A 106 -1.119 -11.258 32.130 0.50 5.25 C ATOM 2160 OD1 ASP A 106 -1.646 -11.351 33.252 0.50 14.58 O ATOM 2161 OD2 ASP A 106 -1.643 -10.735 31.178 0.50 2.67 O ATOM 2162 N ASP A 107 3.425 -11.079 32.229 1.00 18.34 N ATOM 2163 CA ASP A 107 4.689 -11.660 31.715 1.00 20.49 C ATOM 2164 C ASP A 107 5.660 -10.575 31.322 1.00 16.00 C ATOM 2165 O ASP A 107 5.283 -9.413 31.350 1.00 18.70 O ATOM 2166 CB ASP A 107 4.447 -12.817 30.671 1.00 19.06 C ATOM 2167 CG ASP A 107 3.932 -12.348 29.332 1.00 17.87 C ATOM 2168 OD1 ASP A 107 3.492 -11.191 29.218 1.00 25.22 O ATOM 2169 OD2 ASP A 107 4.018 -13.137 28.346 1.00 22.61 O ATOM 2170 N MET A 108 6.910 -10.941 31.083 1.00 15.53 N ATOM 2171 CA MET A 108 8.050 -10.019 30.923 1.00 11.37 C ATOM 2172 C MET A 108 8.945 -10.589 29.847 1.00 16.62 C ATOM 2173 O MET A 108 9.301 -11.786 29.893 1.00 18.59 O ATOM 2174 CB MET A 108 8.892 -9.879 32.208 1.00 14.83 C ATOM 2175 CG MET A 108 8.105 -9.273 33.319 1.00 10.01 C ATOM 2176 SD MET A 108 8.912 -8.529 34.719 1.00 13.28 S ATOM 2177 CE MET A 108 9.613 -10.054 35.355 1.00 8.11 C ATOM 2178 N TYR A 109 9.297 -9.757 28.858 1.00 15.52 N ATOM 2179 CA TYR A 109 10.287 -10.135 27.915 1.00 13.63 C ATOM 2180 C TYR A 109 11.484 -9.274 28.306 1.00 15.07 C ATOM 2181 O TYR A 109 11.471 -8.050 28.152 1.00 16.24 O ATOM 2182 CB TYR A 109 9.818 -9.755 26.501 1.00 12.90 C ATOM 2183 CG TYR A 109 8.718 -10.615 26.052 1.00 15.58 C ATOM 2184 CD1 TYR A 109 7.385 -10.294 26.328 1.00 22.54 C ATOM 2185 CD2 TYR A 109 8.986 -11.771 25.394 1.00 15.52 C ATOM 2186 CE1 TYR A 109 6.384 -11.126 25.933 1.00 20.70 C ATOM 2187 CE2 TYR A 109 7.984 -12.604 24.980 1.00 17.17 C ATOM 2188 CZ TYR A 109 6.710 -12.303 25.266 1.00 16.68 C ATOM 2189 OH TYR A 109 5.766 -13.157 24.799 1.00 16.42 O ATOM 2190 N ILE A 110 12.508 -9.929 28.790 1.00 14.12 N ATOM 2191 CA ILE A 110 13.666 -9.283 29.387 1.00 13.25 C ATOM 2192 C ILE A 110 14.870 -9.731 28.619 1.00 14.60 C ATOM 2193 O ILE A 110 15.055 -10.938 28.410 1.00 15.05 O ATOM 2194 CB ILE A 110 13.877 -9.707 30.842 1.00 15.67 C ATOM 2195 CG1 ILE A 110 12.675 -9.247 31.699 1.00 10.65 C ATOM 2196 CG2 ILE A 110 15.218 -9.098 31.324 1.00 15.00 C ATOM 2197 CD1 ILE A 110 12.627 -9.761 33.171 1.00 11.54 C ATOM 2198 N THR A 111 15.606 -8.766 28.082 1.00 15.87 N ATOM 2199 CA THR A 111 16.902 -9.027 27.470 1.00 18.08 C ATOM 2200 C THR A 111 18.017 -8.764 28.473 1.00 20.82 C ATOM 2201 O THR A 111 18.174 -7.648 28.928 1.00 20.08 O ATOM 2202 CB THR A 111 17.122 -8.176 26.221 1.00 17.96 C ATOM 2203 OG1 THR A 111 16.084 -8.482 25.286 1.00 20.14 O ATOM 2204 CG2 THR A 111 18.425 -8.568 25.585 1.00 12.93 C ATOM 2205 N VAL A 112 18.731 -9.808 28.881 1.00 23.72 N ATOM 2206 CA VAL A 112 19.735 -9.633 29.925 1.00 24.85 C ATOM 2207 C VAL A 112 21.116 -9.734 29.339 1.00 25.19 C ATOM 2208 O VAL A 112 21.415 -10.592 28.536 1.00 23.65 O ATOM 2209 CB VAL A 112 19.730 -10.660 31.095 1.00 25.69 C ATOM 2210 CG1 VAL A 112 20.571 -9.973 32.271 1.00 26.60 C ATOM 2211 CG2 VAL A 112 18.293 -11.015 31.547 1.00 24.24 C ATOM 2212 N ILE A 113 21.955 -8.851 29.821 1.00 31.89 N ATOM 2213 CA ILE A 113 23.377 -8.712 29.456 1.00 36.13 C ATOM 2214 C ILE A 113 24.314 -9.420 30.536 1.00 39.20 C ATOM 2215 O ILE A 113 24.063 -9.430 31.752 1.00 40.59 O ATOM 2216 CB ILE A 113 23.630 -7.219 29.112 1.00 32.64 C ATOM 2217 CG1 ILE A 113 23.309 -6.903 27.651 1.00 28.24 C ATOM 2218 CG2 ILE A 113 24.721 -6.548 29.851 1.00 26.43 C ATOM 2219 CD1 ILE A 113 22.076 -6.108 27.513 1.00 30.71 C ATOM 2220 N ASP A 114 25.311 -10.136 30.053 1.00 41.08 N ATOM 2221 CA ASP A 114 26.492 -10.455 30.836 1.00 42.91 C ATOM 2222 C ASP A 114 27.510 -9.255 30.645 1.00 41.52 C ATOM 2223 O ASP A 114 28.169 -9.139 29.617 1.00 40.55 O ATOM 2224 CB ASP A 114 27.000 -11.853 30.357 1.00 40.80 C ATOM 2225 CG ASP A 114 28.114 -12.438 31.230 1.00 45.27 C ATOM 2226 OD1 ASP A 114 28.390 -11.923 32.353 1.00 50.69 O ATOM 2227 OD2 ASP A 114 28.718 -13.441 30.757 1.00 52.76 O ATOM 2228 N GLY A 115 27.607 -8.376 31.645 1.00 42.60 N ATOM 2229 CA GLY A 115 28.128 -7.016 31.475 1.00 40.20 C ATOM 2230 C GLY A 115 27.271 -5.890 32.103 1.00 40.10 C ATOM 2231 O GLY A 115 26.299 -6.140 32.907 1.00 29.27 O ATOM 2232 N LYS A 116 27.622 -4.668 31.635 1.00 40.18 N ATOM 2233 CA LYS A 116 27.585 -3.374 32.329 1.00 36.98 C ATOM 2234 C LYS A 116 26.955 -2.420 31.366 1.00 36.83 C ATOM 2235 O LYS A 116 27.306 -2.422 30.181 1.00 39.45 O ATOM 2236 CB LYS A 116 29.001 -2.885 32.650 1.00 36.96 C ATOM 2237 N PHE A 117 25.980 -1.654 31.852 1.00 35.97 N ATOM 2238 CA PHE A 117 25.560 -0.384 31.228 1.00 35.65 C ATOM 2239 C PHE A 117 25.946 0.749 32.136 1.00 35.98 C ATOM 2240 O PHE A 117 26.230 0.564 33.330 1.00 34.29 O ATOM 2241 CB PHE A 117 24.022 -0.296 30.997 1.00 35.63 C ATOM 2242 CG PHE A 117 23.496 -1.202 29.906 1.00 31.96 C ATOM 2243 CD1 PHE A 117 24.049 -1.197 28.633 1.00 40.55 C ATOM 2244 CD2 PHE A 117 22.430 -2.041 30.153 1.00 23.11 C ATOM 2245 CE1 PHE A 117 23.536 -2.057 27.636 1.00 36.99 C ATOM 2246 CE2 PHE A 117 21.914 -2.879 29.173 1.00 21.90 C ATOM 2247 CZ PHE A 117 22.480 -2.890 27.915 1.00 33.41 C ATOM 2248 N GLN A 118 25.850 1.935 31.561 1.00 42.15 N ATOM 2249 CA GLN A 118 26.342 3.181 32.138 1.00 44.56 C ATOM 2250 C GLN A 118 25.308 3.938 32.986 1.00 45.74 C ATOM 2251 O GLN A 118 25.681 4.647 33.938 1.00 48.12 O ATOM 2252 CB GLN A 118 26.817 4.082 30.983 0.50 43.76 C ATOM 2253 CG GLN A 118 28.069 3.531 30.321 0.50 41.95 C ATOM 2254 CD GLN A 118 29.059 3.107 31.373 0.50 39.62 C ATOM 2255 OE1 GLN A 118 29.196 3.782 32.395 0.50 29.29 O ATOM 2256 NE2 GLN A 118 29.708 1.963 31.168 0.50 35.34 N ATOM 2257 N GLY A 119 24.027 3.848 32.639 1.00 42.10 N ATOM 2258 CA GLY A 119 23.068 4.653 33.359 1.00 40.60 C ATOM 2259 C GLY A 119 22.962 4.435 34.875 1.00 42.02 C ATOM 2260 O GLY A 119 23.906 4.008 35.581 1.00 38.81 O ATOM 2261 N ASP A 120 21.745 4.688 35.358 1.00 44.18 N ATOM 2262 CA ASP A 120 21.489 5.302 36.635 1.00 43.44 C ATOM 2263 C ASP A 120 20.038 4.914 36.972 1.00 40.83 C ATOM 2264 O ASP A 120 19.454 5.344 37.982 1.00 39.35 O ATOM 2265 CB ASP A 120 21.592 6.807 36.401 1.00 47.46 C ATOM 2266 CG ASP A 120 21.622 7.610 37.684 1.00 62.05 C ATOM 2267 OD1 ASP A 120 21.891 7.012 38.773 1.00 67.24 O ATOM 2268 OD2 ASP A 120 21.375 8.851 37.591 1.00 73.60 O ATOM 2269 N THR A 121 19.468 4.058 36.115 1.00 37.03 N ATOM 2270 CA THR A 121 18.021 3.742 36.114 1.00 29.98 C ATOM 2271 C THR A 121 17.847 2.206 36.238 1.00 24.85 C ATOM 2272 O THR A 121 18.582 1.454 35.602 1.00 24.42 O ATOM 2273 CB THR A 121 17.444 4.374 34.802 1.00 27.01 C ATOM 2274 OG1 THR A 121 17.082 5.724 35.070 1.00 36.74 O ATOM 2275 CG2 THR A 121 16.295 3.738 34.349 1.00 27.28 C ATOM 2276 N PHE A 122 16.934 1.734 37.071 1.00 23.35 N ATOM 2277 CA PHE A 122 16.904 0.319 37.440 1.00 24.04 C ATOM 2278 C PHE A 122 15.555 -0.315 37.110 1.00 27.89 C ATOM 2279 O PHE A 122 14.519 0.206 37.501 1.00 24.48 O ATOM 2280 CB PHE A 122 17.265 0.126 38.946 1.00 23.78 C ATOM 2281 CG PHE A 122 18.655 0.601 39.253 1.00 28.41 C ATOM 2282 CD1 PHE A 122 19.746 -0.298 39.216 1.00 18.40 C ATOM 2283 CD2 PHE A 122 18.899 1.977 39.450 1.00 27.75 C ATOM 2284 CE1 PHE A 122 21.048 0.149 39.403 1.00 27.08 C ATOM 2285 CE2 PHE A 122 20.197 2.460 39.641 1.00 25.14 C ATOM 2286 CZ PHE A 122 21.296 1.524 39.604 1.00 24.81 C ATOM 2287 N PHE A 123 15.574 -1.462 36.415 1.00 25.87 N ATOM 2288 CA PHE A 123 14.433 -2.385 36.462 1.00 23.14 C ATOM 2289 C PHE A 123 14.124 -2.879 37.893 1.00 21.24 C ATOM 2290 O PHE A 123 15.049 -3.208 38.630 1.00 23.43 O ATOM 2291 CB PHE A 123 14.661 -3.567 35.478 1.00 16.71 C ATOM 2292 CG PHE A 123 13.397 -4.274 35.132 1.00 26.24 C ATOM 2293 CD1 PHE A 123 12.436 -3.643 34.313 1.00 18.52 C ATOM 2294 CD2 PHE A 123 13.148 -5.564 35.617 1.00 18.09 C ATOM 2295 CE1 PHE A 123 11.274 -4.277 34.017 1.00 15.33 C ATOM 2296 CE2 PHE A 123 11.978 -6.200 35.291 1.00 12.31 C ATOM 2297 CZ PHE A 123 11.026 -5.559 34.501 1.00 11.09 C ATOM 2298 N PRO A 124 12.833 -2.981 38.295 1.00 20.69 N ATOM 2299 CA PRO A 124 12.584 -3.508 39.652 1.00 19.89 C ATOM 2300 C PRO A 124 13.002 -5.007 39.876 1.00 22.50 C ATOM 2301 O PRO A 124 13.082 -5.789 38.948 1.00 18.22 O ATOM 2302 CB PRO A 124 11.084 -3.333 39.831 1.00 19.31 C ATOM 2303 CG PRO A 124 10.548 -3.268 38.523 1.00 17.92 C ATOM 2304 CD PRO A 124 11.579 -2.644 37.622 1.00 16.94 C ATOM 2305 N PRO A 125 13.343 -5.364 41.136 1.00 22.99 N ATOM 2306 CA PRO A 125 13.723 -6.724 41.405 1.00 21.84 C ATOM 2307 C PRO A 125 12.647 -7.802 41.093 1.00 21.79 C ATOM 2308 O PRO A 125 11.439 -7.548 41.282 1.00 21.89 O ATOM 2309 CB PRO A 125 14.129 -6.683 42.891 1.00 21.32 C ATOM 2310 CG PRO A 125 13.472 -5.522 43.414 1.00 27.16 C ATOM 2311 CD PRO A 125 13.410 -4.515 42.344 1.00 19.78 C ATOM 2312 N TYR A 126 13.092 -8.981 40.629 1.00 18.38 N ATOM 2313 CA TYR A 126 12.216 -10.130 40.399 1.00 23.90 C ATOM 2314 C TYR A 126 12.964 -11.446 40.709 1.00 25.04 C ATOM 2315 O TYR A 126 14.172 -11.569 40.431 1.00 23.94 O ATOM 2316 CB TYR A 126 11.706 -10.124 38.926 1.00 19.44 C ATOM 2317 CG TYR A 126 12.799 -10.097 37.885 1.00 15.50 C ATOM 2318 CD1 TYR A 126 13.364 -8.900 37.447 1.00 18.51 C ATOM 2319 CD2 TYR A 126 13.259 -11.265 37.326 1.00 18.19 C ATOM 2320 CE1 TYR A 126 14.381 -8.908 36.521 1.00 12.70 C ATOM 2321 CE2 TYR A 126 14.230 -11.277 36.339 1.00 16.48 C ATOM 2322 CZ TYR A 126 14.800 -10.092 35.959 1.00 20.32 C ATOM 2323 OH TYR A 126 15.770 -10.122 34.996 1.00 11.91 O ATOM 2324 N THR A 127 12.242 -12.406 41.292 1.00 25.05 N ATOM 2325 CA THR A 127 12.870 -13.646 41.798 1.00 27.17 C ATOM 2326 C THR A 127 12.012 -14.764 41.322 1.00 25.99 C ATOM 2327 O THR A 127 10.944 -14.543 40.878 1.00 27.84 O ATOM 2328 CB THR A 127 13.124 -13.727 43.375 1.00 18.49 C ATOM 2329 OG1 THR A 127 11.911 -13.918 44.083 1.00 30.81 O ATOM 2330 CG2 THR A 127 13.792 -12.441 43.934 1.00 26.94 C ATOM 2331 N PHE A 128 12.538 -15.955 41.387 1.00 29.41 N ATOM 2332 CA PHE A 128 11.874 -17.183 41.042 1.00 30.59 C ATOM 2333 C PHE A 128 10.646 -17.518 41.947 1.00 32.60 C ATOM 2334 O PHE A 128 9.856 -18.431 41.690 1.00 33.78 O ATOM 2335 CB PHE A 128 12.976 -18.241 41.181 1.00 30.15 C ATOM 2336 CG PHE A 128 13.523 -18.410 42.644 1.00 33.40 C ATOM 2337 CD1 PHE A 128 14.907 -18.305 42.924 1.00 28.42 C ATOM 2338 CD2 PHE A 128 12.636 -18.732 43.707 1.00 28.09 C ATOM 2339 CE1 PHE A 128 15.382 -18.542 44.247 1.00 29.03 C ATOM 2340 CE2 PHE A 128 13.055 -18.941 45.022 1.00 21.96 C ATOM 2341 CZ PHE A 128 14.454 -18.834 45.300 1.00 32.48 C ATOM 2342 N GLU A 129 10.512 -16.796 43.041 1.00 35.10 N ATOM 2343 CA GLU A 129 9.316 -16.880 43.874 1.00 35.97 C ATOM 2344 C GLU A 129 8.048 -16.535 43.046 1.00 32.25 C ATOM 2345 O GLU A 129 7.079 -17.246 43.121 1.00 32.57 O ATOM 2346 CB GLU A 129 9.461 -15.890 45.043 1.00 37.13 C ATOM 2347 CG GLU A 129 8.180 -15.682 45.889 1.00 38.41 C ATOM 2348 CD GLU A 129 8.346 -14.606 46.990 1.00 43.86 C ATOM 2349 OE1 GLU A 129 9.285 -13.730 46.941 1.00 47.04 O ATOM 2350 OE2 GLU A 129 7.506 -14.656 47.922 1.00 50.59 O ATOM 2351 N ASP A 130 8.093 -15.444 42.264 1.00 26.57 N ATOM 2352 CA ASP A 130 6.976 -14.915 41.553 1.00 23.60 C ATOM 2353 C ASP A 130 6.913 -15.257 40.062 1.00 21.62 C ATOM 2354 O ASP A 130 5.858 -15.150 39.463 1.00 16.25 O ATOM 2355 CB ASP A 130 6.965 -13.409 41.703 1.00 30.43 C ATOM 2356 CG ASP A 130 6.955 -12.958 43.158 1.00 32.03 C ATOM 2357 OD1 ASP A 130 6.008 -13.293 43.882 1.00 30.77 O ATOM 2358 OD2 ASP A 130 7.890 -12.223 43.543 1.00 43.36 O ATOM 2359 N TRP A 131 8.046 -15.659 39.471 1.00 18.93 N ATOM 2360 CA TRP A 131 8.180 -15.694 38.049 1.00 20.65 C ATOM 2361 C TRP A 131 8.730 -17.043 37.662 1.00 22.48 C ATOM 2362 O TRP A 131 9.492 -17.644 38.411 1.00 18.67 O ATOM 2363 CB TRP A 131 9.125 -14.589 37.583 1.00 16.41 C ATOM 2364 CG TRP A 131 8.619 -13.284 37.968 1.00 16.90 C ATOM 2365 CD1 TRP A 131 8.983 -12.582 39.044 1.00 6.20 C ATOM 2366 CD2 TRP A 131 7.616 -12.487 37.261 1.00 11.92 C ATOM 2367 NE1 TRP A 131 8.289 -11.366 39.083 1.00 14.44 N ATOM 2368 CE2 TRP A 131 7.435 -11.293 38.012 1.00 9.20 C ATOM 2369 CE3 TRP A 131 6.906 -12.651 36.048 1.00 9.25 C ATOM 2370 CZ2 TRP A 131 6.522 -10.274 37.632 1.00 10.50 C ATOM 2371 CZ3 TRP A 131 5.951 -11.647 35.676 1.00 11.95 C ATOM 2372 CH2 TRP A 131 5.798 -10.462 36.450 1.00 8.49 C ATOM 2373 N GLU A 132 8.317 -17.492 36.485 1.00 20.63 N ATOM 2374 CA GLU A 132 8.772 -18.736 35.944 1.00 22.23 C ATOM 2375 C GLU A 132 9.403 -18.466 34.550 1.00 17.41 C ATOM 2376 O GLU A 132 8.952 -17.636 33.863 1.00 15.28 O ATOM 2377 CB GLU A 132 7.575 -19.663 35.743 1.00 19.49 C ATOM 2378 CG GLU A 132 7.976 -21.108 35.960 1.00 34.90 C ATOM 2379 CD GLU A 132 7.510 -22.050 34.866 1.00 48.70 C ATOM 2380 OE1 GLU A 132 7.257 -23.232 35.203 1.00 49.61 O ATOM 2381 OE2 GLU A 132 7.405 -21.639 33.676 1.00 51.38 O ATOM 2382 N VAL A 133 10.453 -19.179 34.186 1.00 19.60 N ATOM 2383 CA VAL A 133 11.103 -19.088 32.914 1.00 20.73 C ATOM 2384 C VAL A 133 10.293 -19.938 31.978 1.00 23.44 C ATOM 2385 O VAL A 133 10.250 -21.156 32.123 1.00 25.22 O ATOM 2386 CB VAL A 133 12.612 -19.654 32.890 1.00 24.55 C ATOM 2387 CG1 VAL A 133 13.307 -19.332 31.543 1.00 23.33 C ATOM 2388 CG2 VAL A 133 13.485 -19.153 34.028 1.00 16.92 C ATOM 2389 N GLU A 134 9.644 -19.279 31.020 1.00 22.75 N ATOM 2390 CA GLU A 134 8.948 -19.911 29.931 1.00 21.53 C ATOM 2391 C GLU A 134 9.877 -20.089 28.708 1.00 24.09 C ATOM 2392 O GLU A 134 9.697 -21.007 27.892 1.00 23.22 O ATOM 2393 CB GLU A 134 7.794 -19.020 29.481 1.00 17.25 C ATOM 2394 CG GLU A 134 6.924 -19.778 28.510 1.00 25.57 C ATOM 2395 CD GLU A 134 7.336 -19.705 27.041 1.00 24.50 C ATOM 2396 OE1 GLU A 134 7.917 -18.707 26.582 1.00 29.67 O ATOM 2397 OE2 GLU A 134 6.989 -20.644 26.301 1.00 29.84 O ATOM 2398 N SER A 135 10.823 -19.162 28.537 1.00 22.20 N ATOM 2399 CA SER A 135 11.838 -19.282 27.503 1.00 18.85 C ATOM 2400 C SER A 135 13.070 -18.509 27.869 1.00 18.84 C ATOM 2401 O SER A 135 13.011 -17.566 28.640 1.00 20.45 O ATOM 2402 CB SER A 135 11.284 -19.008 26.101 1.00 22.42 C ATOM 2403 OG SER A 135 11.530 -17.711 25.680 1.00 34.50 O ATOM 2404 N SER A 136 14.195 -19.029 27.410 1.00 20.00 N ATOM 2405 CA SER A 136 15.537 -18.570 27.688 1.00 19.19 C ATOM 2406 C SER A 136 16.442 -18.970 26.489 1.00 18.73 C ATOM 2407 O SER A 136 16.847 -20.107 26.335 1.00 21.24 O ATOM 2408 CB SER A 136 16.065 -19.193 28.982 1.00 21.08 C ATOM 2409 OG SER A 136 17.319 -18.623 29.367 1.00 22.58 O ATOM 2410 N VAL A 137 16.733 -17.978 25.655 1.00 21.11 N ATOM 2411 CA VAL A 137 17.475 -18.085 24.401 1.00 22.16 C ATOM 2412 C VAL A 137 18.718 -17.139 24.486 1.00 22.20 C ATOM 2413 O VAL A 137 18.626 -15.969 24.847 1.00 24.22 O ATOM 2414 CB VAL A 137 16.533 -17.694 23.236 1.00 22.85 C ATOM 2415 CG1 VAL A 137 17.247 -17.750 21.917 1.00 20.94 C ATOM 2416 CG2 VAL A 137 15.318 -18.648 23.246 1.00 22.91 C ATOM 2417 N GLU A 138 19.879 -17.692 24.218 1.00 18.85 N ATOM 2418 CA GLU A 138 21.100 -16.922 24.030 1.00 27.06 C ATOM 2419 C GLU A 138 21.107 -16.144 22.753 1.00 22.64 C ATOM 2420 O GLU A 138 21.006 -16.717 21.684 1.00 26.80 O ATOM 2421 CB GLU A 138 22.268 -17.881 23.912 1.00 25.99 C ATOM 2422 CG GLU A 138 23.599 -17.286 24.312 1.00 34.20 C ATOM 2423 CD GLU A 138 24.802 -18.281 24.055 1.00 36.41 C ATOM 2424 OE1 GLU A 138 24.583 -19.523 23.995 1.00 40.44 O ATOM 2425 OE2 GLU A 138 25.953 -17.794 23.944 1.00 46.93 O ATOM 2426 N GLY A 139 21.263 -14.848 22.838 1.00 21.34 N ATOM 2427 CA GLY A 139 21.294 -14.058 21.621 1.00 23.60 C ATOM 2428 C GLY A 139 22.522 -14.377 20.802 1.00 21.67 C ATOM 2429 O GLY A 139 23.564 -14.663 21.365 1.00 24.87 O ATOM 2430 N GLN A 140 22.412 -14.271 19.485 1.00 26.72 N ATOM 2431 CA GLN A 140 23.556 -14.401 18.555 1.00 32.19 C ATOM 2432 C GLN A 140 24.574 -13.250 18.593 1.00 34.91 C ATOM 2433 O GLN A 140 24.249 -12.130 18.187 1.00 41.15 O ATOM 2434 CB GLN A 140 23.029 -14.627 17.127 1.00 31.65 C ATOM 2435 CG GLN A 140 21.781 -15.543 17.142 0.50 34.74 C ATOM 2436 CD GLN A 140 21.020 -15.636 15.817 0.50 33.09 C ATOM 2437 OE1 GLN A 140 20.522 -14.625 15.304 0.50 29.89 O ATOM 2438 NE2 GLN A 140 20.880 -16.868 15.286 0.50 17.73 N ATOM 2439 N LEU A 141 25.802 -13.517 19.056 1.00 35.57 N ATOM 2440 CA LEU A 141 26.974 -12.654 18.749 1.00 35.20 C ATOM 2441 C LEU A 141 27.394 -12.491 17.293 1.00 34.81 C ATOM 2442 O LEU A 141 27.401 -13.446 16.541 1.00 35.46 O ATOM 2443 CB LEU A 141 28.146 -12.995 19.649 1.00 34.05 C ATOM 2444 CG LEU A 141 27.533 -12.991 21.061 1.00 39.04 C ATOM 2445 CD1 LEU A 141 28.602 -13.020 22.115 1.00 19.73 C ATOM 2446 CD2 LEU A 141 26.556 -11.750 21.268 1.00 36.50 C ATOM 2447 N ASP A 142 27.675 -11.245 16.891 1.00 38.29 N ATOM 2448 CA ASP A 142 28.289 -10.891 15.559 1.00 38.09 C ATOM 2449 C ASP A 142 28.780 -9.436 15.582 1.00 38.30 C ATOM 2450 O ASP A 142 28.841 -8.824 16.678 1.00 36.81 O ATOM 2451 CB ASP A 142 27.331 -11.136 14.370 1.00 38.39 C ATOM 2452 CG ASP A 142 25.942 -10.512 14.575 1.00 40.29 C ATOM 2453 OD1 ASP A 142 25.797 -9.371 15.062 1.00 39.35 O ATOM 2454 OD2 ASP A 142 24.969 -11.183 14.228 1.00 51.38 O ATOM 2455 N GLU A 143 29.132 -8.880 14.412 1.00 41.15 N ATOM 2456 CA GLU A 143 29.707 -7.483 14.330 1.00 40.81 C ATOM 2457 C GLU A 143 28.768 -6.414 14.938 1.00 39.74 C ATOM 2458 O GLU A 143 29.201 -5.459 15.619 1.00 43.52 O ATOM 2459 CB GLU A 143 30.055 -7.119 12.883 0.50 39.71 C ATOM 2460 CG GLU A 143 31.287 -7.809 12.301 0.50 39.99 C ATOM 2461 CD GLU A 143 31.261 -7.862 10.767 0.50 39.53 C ATOM 2462 OE1 GLU A 143 31.003 -6.801 10.134 0.50 25.68 O ATOM 2463 OE2 GLU A 143 31.492 -8.965 10.210 0.50 28.92 O ATOM 2464 N LYS A 144 27.473 -6.592 14.702 1.00 38.42 N ATOM 2465 CA LYS A 144 26.435 -5.743 15.287 1.00 36.00 C ATOM 2466 C LYS A 144 26.240 -6.021 16.798 1.00 35.27 C ATOM 2467 O LYS A 144 26.129 -5.091 17.578 1.00 38.42 O ATOM 2468 CB LYS A 144 25.108 -5.932 14.535 1.00 34.71 C ATOM 2469 CG LYS A 144 25.107 -5.583 13.040 1.00 37.04 C ATOM 2470 CD LYS A 144 23.686 -5.759 12.433 1.00 35.47 C ATOM 2471 CE LYS A 144 23.767 -6.483 11.059 1.00 43.81 C ATOM 2472 NZ LYS A 144 22.420 -6.609 10.413 1.00 52.04 N ATOM 2473 N ASN A 145 26.168 -7.284 17.223 1.00 32.10 N ATOM 2474 CA ASN A 145 25.882 -7.568 18.625 1.00 30.66 C ATOM 2475 C ASN A 145 27.037 -8.274 19.277 1.00 34.10 C ATOM 2476 O ASN A 145 27.325 -9.419 18.950 1.00 36.27 O ATOM 2477 CB ASN A 145 24.659 -8.470 18.748 1.00 28.12 C ATOM 2478 CG ASN A 145 23.498 -8.010 17.909 1.00 19.90 C ATOM 2479 OD1 ASN A 145 22.594 -7.313 18.399 1.00 22.12 O ATOM 2480 ND2 ASN A 145 23.478 -8.436 16.662 1.00 9.03 N ATOM 2481 N THR A 146 27.735 -7.609 20.185 1.00 38.17 N ATOM 2482 CA THR A 146 29.047 -8.139 20.602 1.00 35.35 C ATOM 2483 C THR A 146 28.997 -8.273 22.111 1.00 37.08 C ATOM 2484 O THR A 146 29.933 -8.830 22.714 1.00 38.12 O ATOM 2485 CB THR A 146 30.269 -7.205 20.217 1.00 36.74 C ATOM 2486 OG1 THR A 146 30.076 -5.929 20.811 1.00 40.18 O ATOM 2487 CG2 THR A 146 30.440 -7.010 18.738 1.00 22.41 C ATOM 2488 N ILE A 147 27.929 -7.746 22.737 1.00 35.33 N ATOM 2489 CA ILE A 147 27.733 -8.019 24.166 1.00 32.29 C ATOM 2490 C ILE A 147 26.869 -9.301 24.244 1.00 30.23 C ATOM 2491 O ILE A 147 25.843 -9.402 23.548 1.00 31.80 O ATOM 2492 CB ILE A 147 27.168 -6.792 24.958 1.00 33.44 C ATOM 2493 CG1 ILE A 147 27.906 -5.496 24.596 0.50 32.00 C ATOM 2494 CG2 ILE A 147 27.173 -7.033 26.495 0.50 25.74 C ATOM 2495 CD1 ILE A 147 27.020 -4.211 24.751 0.50 31.78 C ATOM 2496 N PRO A 148 27.308 -10.288 25.057 1.00 28.78 N ATOM 2497 CA PRO A 148 26.508 -11.448 25.357 1.00 30.03 C ATOM 2498 C PRO A 148 25.219 -11.044 26.056 1.00 31.13 C ATOM 2499 O PRO A 148 25.219 -10.200 27.007 1.00 32.88 O ATOM 2500 CB PRO A 148 27.406 -12.301 26.281 1.00 32.72 C ATOM 2501 CG PRO A 148 28.805 -11.763 26.081 1.00 28.55 C ATOM 2502 CD PRO A 148 28.629 -10.338 25.737 1.00 32.08 C ATOM 2503 N HIS A 149 24.123 -11.618 25.544 1.00 27.91 N ATOM 2504 CA HIS A 149 22.784 -11.356 25.999 1.00 24.03 C ATOM 2505 C HIS A 149 21.900 -12.624 25.905 1.00 24.79 C ATOM 2506 O HIS A 149 22.130 -13.492 25.070 1.00 19.01 O ATOM 2507 CB HIS A 149 22.164 -10.199 25.215 1.00 22.05 C ATOM 2508 CG HIS A 149 22.087 -10.417 23.727 1.00 20.30 C ATOM 2509 ND1 HIS A 149 23.205 -10.468 22.922 1.00 25.02 N ATOM 2510 CD2 HIS A 149 21.031 -10.499 22.893 1.00 23.84 C ATOM 2511 CE1 HIS A 149 22.844 -10.577 21.658 1.00 22.89 C ATOM 2512 NE2 HIS A 149 21.526 -10.630 21.606 1.00 20.60 N ATOM 2513 N THR A 150 20.901 -12.689 26.795 1.00 23.89 N ATOM 2514 CA THR A 150 19.862 -13.704 26.820 1.00 21.22 C ATOM 2515 C THR A 150 18.512 -13.019 26.676 1.00 16.77 C ATOM 2516 O THR A 150 18.255 -11.981 27.320 1.00 16.44 O ATOM 2517 CB THR A 150 19.989 -14.511 28.103 1.00 21.45 C ATOM 2518 OG1 THR A 150 21.309 -15.087 28.098 1.00 25.58 O ATOM 2519 CG2 THR A 150 18.978 -15.696 28.142 1.00 18.50 C ATOM 2520 N PHE A 151 17.670 -13.575 25.810 1.00 15.13 N ATOM 2521 CA PHE A 151 16.226 -13.236 25.812 1.00 16.48 C ATOM 2522 C PHE A 151 15.466 -14.114 26.790 1.00 16.34 C ATOM 2523 O PHE A 151 15.264 -15.318 26.499 1.00 17.49 O ATOM 2524 CB PHE A 151 15.678 -13.379 24.378 1.00 15.15 C ATOM 2525 CG PHE A 151 16.377 -12.491 23.416 1.00 15.30 C ATOM 2526 CD1 PHE A 151 16.067 -11.136 23.370 1.00 14.85 C ATOM 2527 CD2 PHE A 151 17.403 -12.971 22.609 1.00 21.37 C ATOM 2528 CE1 PHE A 151 16.774 -10.254 22.493 1.00 24.92 C ATOM 2529 CE2 PHE A 151 18.116 -12.092 21.710 1.00 19.29 C ATOM 2530 CZ PHE A 151 17.811 -10.745 21.680 1.00 13.67 C ATOM 2531 N LEU A 152 15.124 -13.568 27.963 1.00 16.58 N ATOM 2532 CA LEU A 152 14.187 -14.264 28.885 1.00 20.82 C ATOM 2533 C LEU A 152 12.718 -13.962 28.545 1.00 20.87 C ATOM 2534 O LEU A 152 12.348 -12.833 28.166 1.00 24.92 O ATOM 2535 CB LEU A 152 14.400 -13.884 30.374 1.00 22.35 C ATOM 2536 CG LEU A 152 15.826 -13.665 30.690 1.00 12.68 C ATOM 2537 CD1 LEU A 152 15.942 -13.375 32.201 1.00 12.97 C ATOM 2538 CD2 LEU A 152 16.489 -15.030 30.320 1.00 21.08 C ATOM 2539 N HIS A 153 11.883 -14.970 28.709 1.00 19.13 N ATOM 2540 CA HIS A 153 10.474 -14.726 28.797 1.00 16.64 C ATOM 2541 C HIS A 153 9.988 -15.346 30.097 1.00 17.34 C ATOM 2542 O HIS A 153 9.969 -16.572 30.268 1.00 15.07 O ATOM 2543 CB HIS A 153 9.739 -15.256 27.562 1.00 14.72 C ATOM 2544 CG HIS A 153 8.245 -15.237 27.689 1.00 19.58 C ATOM 2545 ND1 HIS A 153 7.547 -14.106 28.062 1.00 14.64 N ATOM 2546 CD2 HIS A 153 7.321 -16.225 27.573 1.00 13.08 C ATOM 2547 CE1 HIS A 153 6.250 -14.374 28.083 1.00 13.52 C ATOM 2548 NE2 HIS A 153 6.095 -15.658 27.820 1.00 22.69 N ATOM 2549 N LEU A 154 9.573 -14.481 31.022 1.00 18.15 N ATOM 2550 CA LEU A 154 9.081 -14.911 32.362 1.00 14.52 C ATOM 2551 C LEU A 154 7.605 -14.695 32.453 1.00 13.95 C ATOM 2552 O LEU A 154 7.095 -13.690 31.975 1.00 14.09 O ATOM 2553 CB LEU A 154 9.782 -14.106 33.494 1.00 14.30 C ATOM 2554 CG LEU A 154 11.318 -13.905 33.517 1.00 15.66 C ATOM 2555 CD1 LEU A 154 11.863 -13.230 34.811 1.00 9.35 C ATOM 2556 CD2 LEU A 154 12.046 -15.251 33.135 1.00 11.85 C ATOM 2557 N VAL A 155 6.900 -15.639 33.076 1.00 17.86 N ATOM 2558 CA VAL A 155 5.439 -15.565 33.283 1.00 16.13 C ATOM 2559 C VAL A 155 5.230 -15.576 34.787 1.00 17.75 C ATOM 2560 O VAL A 155 5.940 -16.280 35.554 1.00 16.70 O ATOM 2561 CB VAL A 155 4.659 -16.749 32.574 1.00 15.43 C ATOM 2562 CG1 VAL A 155 5.098 -16.841 31.133 1.00 8.34 C ATOM 2563 CG2 VAL A 155 5.045 -18.076 33.221 1.00 16.04 C ATOM 2564 N ARG A 156 4.294 -14.739 35.221 1.00 21.55 N ATOM 2565 CA ARG A 156 3.968 -14.620 36.610 1.00 19.18 C ATOM 2566 C ARG A 156 3.313 -15.868 37.058 1.00 20.78 C ATOM 2567 O ARG A 156 2.383 -16.349 36.392 1.00 19.88 O ATOM 2568 CB ARG A 156 2.982 -13.510 36.835 1.00 21.19 C ATOM 2569 CG ARG A 156 2.822 -13.276 38.357 1.00 24.63 C ATOM 2570 CD ARG A 156 1.525 -12.593 38.617 1.00 42.29 C ATOM 2571 NE ARG A 156 1.784 -11.253 38.137 1.00 51.64 N ATOM 2572 CZ ARG A 156 2.693 -10.460 38.692 1.00 48.38 C ATOM 2573 NH1 ARG A 156 3.388 -10.889 39.812 1.00 32.74 N ATOM 2574 NH2 ARG A 156 2.890 -9.262 38.108 1.00 28.85 N ATOM 2575 N AARG A 157 3.763 -16.379 38.205 0.50 21.84 N ATOM 2576 CA AARG A 157 3.228 -17.620 38.767 0.50 22.85 C ATOM 2577 C AARG A 157 1.747 -17.486 39.181 0.50 25.13 C ATOM 2578 O AARG A 157 1.422 -16.724 40.105 0.50 29.84 O ATOM 2579 CB AARG A 157 4.113 -18.128 39.904 0.50 20.69 C ATOM 2580 CG AARG A 157 5.390 -18.823 39.417 0.50 18.29 C ATOM 2581 CD AARG A 157 6.499 -18.987 40.507 0.50 19.49 C ATOM 2582 NE AARG A 157 6.166 -19.954 41.565 0.50 23.05 N ATOM 2583 CZ AARG A 157 6.967 -20.351 42.559 0.50 18.87 C ATOM 2584 NH1AARG A 157 8.205 -19.927 42.660 0.50 17.08 N ATOM 2585 NH2AARG A 157 6.518 -21.222 43.454 0.50 24.41 N ATOM 2586 N BARG A 157 3.744 -16.389 38.204 0.50 21.39 N ATOM 2587 CA BARG A 157 3.237 -17.675 38.677 0.50 22.28 C ATOM 2588 C BARG A 157 1.805 -17.608 39.224 0.50 24.35 C ATOM 2589 O BARG A 157 1.580 -17.028 40.296 0.50 28.39 O ATOM 2590 CB BARG A 157 4.176 -18.285 39.693 0.50 18.60 C ATOM 2591 CG BARG A 157 5.516 -18.668 39.133 0.50 11.10 C ATOM 2592 CD BARG A 157 6.254 -19.538 40.133 0.50 8.98 C ATOM 2593 NE BARG A 157 7.695 -19.578 39.994 0.50 6.31 N ATOM 2594 CZ BARG A 157 8.384 -20.584 39.451 0.50 18.43 C ATOM 2595 NH1BARG A 157 7.755 -21.636 38.926 0.50 14.55 N ATOM 2596 NH2BARG A 157 9.709 -20.508 39.395 0.50 5.28 N ATOM 2597 N LYS A 158 0.862 -18.210 38.477 1.00 25.86 N ATOM 2598 CA LYS A 158 -0.610 -18.361 38.844 1.00 26.15 C ATOM 2599 C LYS A 158 -0.981 -19.720 39.528 1.00 30.56 C ATOM 2600 O LYS A 158 -0.333 -20.722 39.280 1.00 36.08 O ATOM 2601 CB LYS A 158 -1.481 -18.203 37.588 1.00 20.92 C ATOM 2602 CG LYS A 158 -1.486 -16.774 36.958 1.00 30.53 C ATOM 2603 CD LYS A 158 -1.615 -15.626 38.066 0.50 23.64 C ATOM 2604 CE LYS A 158 -2.202 -14.304 37.506 0.50 31.49 C ATOM 2605 NZ LYS A 158 -3.644 -14.416 36.943 0.50 17.07 N ATOM 2606 N GLY A 159 -2.003 -19.773 40.394 1.00 32.26 N ATOM 2607 CA GLY A 159 -2.376 -21.040 41.041 1.00 33.05 C ATOM 2608 C GLY A 159 -2.126 -21.325 42.528 1.00 33.71 C ATOM 2609 O GLY A 159 -1.062 -21.040 43.084 1.00 37.01 O TER 2610 GLY B 159 HETATM 2611 O HOH A2001 11.280 17.361 19.602 1.00 38.08 O HETATM 2612 O HOH A2002 26.412 17.035 14.415 1.00 19.52 O HETATM 2613 O HOH A2003 18.025 16.280 25.811 1.00 37.12 O HETATM 2614 O HOH A2004 12.835 14.793 21.662 1.00 38.26 O HETATM 2615 O HOH A2005 21.030 21.536 19.457 1.00 30.19 O HETATM 2616 O HOH A2006 28.630 16.905 17.002 1.00 29.20 O HETATM 2617 O HOH A2007 29.460 19.503 17.431 1.00 24.47 O HETATM 2618 O HOH A2008 22.965 25.774 10.284 1.00 37.78 O HETATM 2619 O HOH A2009 36.477 24.353 15.310 1.00 26.63 O HETATM 2620 O HOH A2010 21.357 24.895 6.267 1.00 30.41 O HETATM 2621 O HOH A2011 34.594 16.031 26.238 1.00 33.37 O HETATM 2622 O HOH A2012 38.343 19.500 -3.589 1.00 32.48 O HETATM 2623 O HOH A2013 29.280 12.812 14.205 1.00 25.27 O HETATM 2624 O HOH A2014 42.638 14.122 6.937 1.00 37.52 O HETATM 2625 O HOH A2015 33.832 6.666 3.565 1.00 26.27 O HETATM 2626 O HOH A2016 33.737 13.141 -3.515 1.00 25.13 O HETATM 2627 O HOH A2017 34.014 24.362 14.789 1.00 25.23 O HETATM 2628 O HOH A2018 37.344 32.184 8.534 1.00 38.52 O HETATM 2629 O HOH A2019 22.574 27.275 4.979 1.00 33.85 O HETATM 2630 O HOH A2020 23.101 31.138 4.136 1.00 22.79 O HETATM 2631 O HOH A2021 20.578 36.459 0.102 1.00 27.95 O HETATM 2632 O HOH A2022 22.797 37.889 -1.129 1.00 29.72 O HETATM 2633 O HOH A2023 33.536 38.337 -0.883 1.00 37.55 O HETATM 2634 O HOH A2024 25.149 39.333 -0.139 1.00 18.03 O HETATM 2635 O HOH A2025 28.678 33.057 -3.369 1.00 26.45 O HETATM 2636 O HOH A2026 31.833 31.809 -4.333 1.00 25.83 O HETATM 2637 O HOH A2027 37.376 21.711 -1.821 1.00 33.97 O HETATM 2638 O HOH A2028 33.879 29.931 -2.317 1.00 20.47 O HETATM 2639 O HOH A2029 19.473 17.373 -3.599 1.00 34.68 O HETATM 2640 O HOH A2030 20.764 27.564 -7.273 1.00 25.91 O HETATM 2641 O HOH A2031 31.579 15.789 -4.970 1.00 23.52 O HETATM 2642 O HOH A2032 33.047 6.281 0.504 1.00 26.30 O HETATM 2643 O HOH A2033 33.749 10.499 -3.159 1.00 19.39 O HETATM 2644 O HOH A2034 26.364 19.219 14.100 1.00 27.06 O HETATM 2645 O HOH A2035 28.046 20.545 11.585 1.00 36.08 O HETATM 2646 O HOH A2036 21.126 23.412 8.969 1.00 40.26 O HETATM 2647 O HOH A2037 14.190 21.778 6.342 1.00 34.88 O HETATM 2648 O HOH A2038 19.465 24.669 11.600 1.00 28.54 O HETATM 2649 O HOH A2039 11.971 19.911 5.497 1.00 30.17 O HETATM 2650 O HOH A2040 13.892 17.791 13.264 1.00 24.34 O HETATM 2651 O HOH A2041 11.761 8.967 0.113 1.00 37.97 O HETATM 2652 O HOH A2042 32.006 4.993 4.277 1.00 27.06 O HETATM 2653 O HOH A2043 28.318 5.028 3.186 1.00 19.24 O HETATM 2654 O HOH A2044 28.354 9.772 13.481 1.00 30.73 O HETATM 2655 O HOH A2045 19.931 5.257 30.195 1.00 35.27 O HETATM 2656 O HOH A2046 11.515 12.122 9.957 1.00 28.02 O HETATM 2657 O HOH A2047 13.989 8.441 15.979 1.00 16.89 O HETATM 2658 O HOH A2048 17.857 7.104 18.180 1.00 26.23 O HETATM 2659 O HOH A2049 11.435 6.573 9.918 1.00 21.80 O HETATM 2660 O HOH A2050 13.576 8.766 8.734 1.00 28.20 O HETATM 2661 O HOH A2051 19.023 -7.748 5.985 1.00 46.03 O HETATM 2662 O HOH A2052 29.978 0.437 8.254 1.00 25.77 O HETATM 2663 O HOH A2053 26.385 -5.653 6.221 1.00 32.90 O HETATM 2664 O HOH A2054 30.466 -2.412 4.875 1.00 29.10 O HETATM 2665 O HOH A2055 29.063 1.711 13.478 1.00 21.24 O HETATM 2666 O HOH A2056 28.760 -3.957 18.139 1.00 42.21 O HETATM 2667 O HOH A2057 29.815 -2.697 19.940 1.00 26.18 O HETATM 2668 O HOH A2058 33.818 1.336 26.602 1.00 33.97 O HETATM 2669 O HOH A2059 40.659 14.356 28.728 1.00 28.39 O HETATM 2670 O HOH A2060 39.986 10.015 20.866 1.00 27.63 O HETATM 2671 O HOH A2061 28.394 6.241 12.812 1.00 21.55 O HETATM 2672 O HOH A2062 16.980 -2.761 12.097 1.00 33.13 O HETATM 2673 O HOH A2063 14.262 -4.175 12.840 1.00 28.68 O HETATM 2674 O HOH B2001 -3.786 -11.345 24.363 1.00 28.59 O HETATM 2675 O HOH B2002 16.956 -1.383 25.404 1.00 28.13 O HETATM 2676 O HOH B2003 14.572 -2.332 25.573 1.00 30.93 O HETATM 2677 O HOH B2004 14.415 -0.922 27.543 1.00 22.81 O HETATM 2678 O HOH B2005 25.657 -1.498 35.967 1.00 34.73 O HETATM 2679 O HOH B2006 20.662 -9.131 37.117 1.00 32.16 O HETATM 2680 O HOH B2007 19.437 3.846 33.025 1.00 27.80 O HETATM 2681 O HOH B2008 27.184 2.422 25.294 1.00 28.62 O HETATM 2682 O HOH B2009 -5.861 0.617 16.903 1.00 30.41 O HETATM 2683 O HOH B2010 15.214 6.710 17.454 1.00 28.40 O HETATM 2684 O HOH B2011 6.205 6.702 33.012 1.00 25.85 O HETATM 2685 O HOH B2012 26.261 -1.783 19.423 1.00 34.75 O HETATM 2686 O HOH B2013 22.232 -11.766 15.391 1.00 44.56 O HETATM 2687 O HOH B2014 14.203 -5.223 25.012 1.00 24.38 O HETATM 2688 O HOH B2015 12.693 -11.690 25.638 1.00 26.30 O HETATM 2689 O HOH B2016 11.669 -13.820 24.387 1.00 38.74 O HETATM 2690 O HOH B2017 3.877 -9.769 16.601 1.00 27.45 O HETATM 2691 O HOH B2018 5.663 2.108 42.324 1.00 32.62 O HETATM 2692 O HOH B2019 3.697 -11.321 20.156 1.00 32.62 O HETATM 2693 O HOH B2020 -3.654 -3.483 17.339 1.00 39.63 O HETATM 2694 O HOH B2021 -2.990 -7.574 20.280 1.00 20.78 O HETATM 2695 O HOH B2022 1.188 -11.490 19.068 1.00 27.55 O HETATM 2696 O HOH B2023 16.820 8.705 20.652 1.00 32.93 O HETATM 2697 O HOH B2024 14.889 6.436 19.890 1.00 30.72 O HETATM 2698 O HOH B2025 13.898 -15.947 21.741 1.00 30.39 O HETATM 2699 O HOH B2026 -2.799 2.072 15.625 1.00 43.65 O HETATM 2700 O HOH B2027 -8.873 -0.405 23.477 1.00 38.87 O HETATM 2701 O HOH B2028 4.755 9.413 31.284 1.00 35.21 O HETATM 2702 O HOH B2029 4.068 13.285 31.214 1.00 19.78 O HETATM 2703 O HOH B2030 0.413 18.642 33.255 1.00 33.64 O HETATM 2704 O HOH B2031 -0.919 20.116 31.402 1.00 26.77 O HETATM 2705 O HOH B2032 -0.240 21.370 29.058 1.00 19.26 O HETATM 2706 O HOH B2033 -3.318 15.110 25.367 1.00 18.54 O HETATM 2707 O HOH B2034 -4.448 13.815 22.308 1.00 32.59 O HETATM 2708 O HOH B2035 -2.281 11.956 20.274 1.00 24.66 O HETATM 2709 O HOH B2036 -6.123 9.882 22.318 1.00 34.78 O HETATM 2710 O HOH B2037 -7.132 9.521 33.368 1.00 27.38 O HETATM 2711 O HOH B2038 -7.776 2.803 28.304 1.00 25.95 O HETATM 2712 O HOH B2039 -5.086 -2.082 22.428 1.00 25.45 O HETATM 2713 O HOH B2040 -5.282 -6.568 26.862 1.00 32.88 O HETATM 2714 O HOH B2041 0.227 -11.721 21.132 1.00 23.45 O HETATM 2715 O HOH B2042 13.885 1.195 27.939 1.00 27.86 O HETATM 2716 O HOH B2043 11.494 2.690 26.492 1.00 27.78 O HETATM 2717 O HOH B2044 11.690 6.848 34.633 1.00 39.67 O HETATM 2718 O HOH B2045 6.300 3.804 39.768 1.00 34.61 O HETATM 2719 O HOH B2046 13.358 -0.094 40.123 1.00 18.56 O HETATM 2720 O HOH B2047 -2.039 -6.161 41.451 1.00 34.07 O HETATM 2721 O HOH B2048 3.107 -12.931 25.820 1.00 16.94 O HETATM 2722 O HOH B2049 4.319 -13.039 22.157 1.00 31.54 O HETATM 2723 O HOH B2050 13.417 -7.858 25.600 1.00 29.03 O HETATM 2724 O HOH B2051 29.864 -4.646 28.427 1.00 46.61 O HETATM 2725 O HOH B2052 31.374 -4.917 31.360 1.00 39.81 O HETATM 2726 O HOH B2053 20.424 7.612 34.455 1.00 45.38 O HETATM 2727 O HOH B2054 9.903 -5.952 42.703 1.00 26.65 O HETATM 2728 O HOH B2055 17.974 -10.958 36.031 1.00 32.42 O HETATM 2729 O HOH B2056 15.821 -9.466 40.216 1.00 17.82 O HETATM 2730 O HOH B2057 9.948 -11.228 42.391 1.00 26.75 O HETATM 2731 O HOH B2058 8.792 -9.134 40.485 1.00 23.05 O HETATM 2732 O HOH B2059 6.469 -25.864 34.575 1.00 44.53 O HETATM 2733 O HOH B2060 11.973 -20.724 36.823 1.00 23.04 O HETATM 2734 O HOH B2061 6.787 -23.830 27.432 1.00 31.75 O HETATM 2735 O HOH B2062 5.117 -22.172 26.986 1.00 28.26 O HETATM 2736 O HOH B2063 8.381 -17.529 24.230 1.00 29.24 O HETATM 2737 O HOH B2064 8.659 -22.162 24.972 1.00 37.02 O HETATM 2738 O HOH B2065 19.723 -20.742 24.240 1.00 34.66 O HETATM 2739 O HOH B2066 23.501 -18.311 19.803 1.00 39.74 O HETATM 2740 O HOH B2067 25.182 -14.110 23.663 1.00 28.88 O HETATM 2741 O HOH B2068 26.423 -16.447 20.492 1.00 34.47 O HETATM 2742 O HOH B2069 28.638 -3.507 13.615 1.00 23.57 O HETATM 2743 O HOH B2070 20.979 -7.787 14.372 1.00 34.44 O HETATM 2744 O HOH B2071 13.424 -16.192 25.092 1.00 21.60 O HETATM 2745 O HOH B2072 0.765 -15.465 33.774 1.00 39.67 O HETATM 2746 O HOH B2073 2.216 -19.254 44.198 1.00 39.10 O MASTER 375 0 0 8 16 0 0 6 2744 2 0 26 END