Browse entries in the PDBbind-CN Database
HEADER DNA/REPLICATION 19-JAN-06 2CCZ TITLE CRYSTAL STRUCTURE OF E. COLI PRIMOSOMOL PROTEIN PRIB BOUND TITLE 2 TO SSDNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PRIMOSOMAL REPLICATION PROTEIN N; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: PRIB; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP COMPND 9 *TP*TP*TP*TP*T)-3'; COMPND 10 CHAIN: C SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET21B; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES KEYWDS DNA/REPLICATION, PRIMOSOME, PRIB, DNA REPLICATION, DNA KEYWDS 2 REPAIR, DNA RECOMBINATION, SSDNA, SINGLE-STRANDED DNA, KEYWDS 3 DNA/PROTEIN COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR C.-Y.HUANG,C.-H.HSU,H.-N.WU,Y.-J.SUN,C.-D.HSIAO REVDAT 3 24-FEB-09 2CCZ 1 VERSN REVDAT 2 05-JUN-07 2CCZ 1 REMARK REVDAT 1 18-SEP-06 2CCZ 0 JRNL AUTH C.-Y.HUANG,C.-H.HSU,Y.-J.SUN,H.-N.WU,C.-D.HSIAO JRNL TITL COMPLEXED CRYSTAL STRUCTURE OF REPLICATION RESTART JRNL TITL 2 PRIMSOME PROTEIN PRIB REVEALS A NOVEL JRNL TITL 3 SINGLE-STRANDED DNA-BINDING MODE. JRNL REF NUCLEIC ACIDS RES. V. 34 3878 2006 JRNL REFN ISSN 0305-1048 JRNL PMID 16899446 JRNL DOI 10.1093/NAR/GKL536 REMARK 2 REMARK 2 RESOLUTION. 2.7 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 17.60 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 270117.32 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.9 REMARK 3 NUMBER OF REFLECTIONS : 6121 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 SET) : 0.250 REMARK 3 FREE R VALUE : 0.284 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.8 REMARK 3 FREE R VALUE TEST SET COUNT : 664 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.011 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.87 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.8 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 760 REMARK 3 BIN R VALUE (WORKING SET) : 0.336 REMARK 3 BIN FREE R VALUE : 0.337 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.7 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 91 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.035 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1763 REMARK 3 NUCLEIC ACID ATOMS : 297 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 119 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 44.0 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.0 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 6.67 REMARK 3 B22 (A**2) : -6.32 REMARK 3 B33 (A**2) : -0.35 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.36 REMARK 3 ESD FROM SIGMAA (A) : 0.40 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.40 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.37 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.012 REMARK 3 BOND ANGLES (DEGREES) : 2.0 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 30.5 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.47 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.33 ; 1.50 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.29 ; 2.00 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.51 ; 2.00 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.31 ; 2.50 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.241866 REMARK 3 BSOL : 59.3093 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1. HIS-116 AND HIS-117 OF CHAIN A REMARK 3 ARE INVISIBLE. 2. MET-6, ASP-5, HIS-115, HIS-116,HIS-117 OF REMARK 3 CHAIN B ARE INVISIBLE. 3. THOSE SIDECHAINS LISTED AS FOLLOWS REMARK 3 ARE DISORDERED CHAIN A MET-6, ASP-5, LEU-1, LEU-16, SER-20, REMARK 3 GLN-45, ASN-59, HIS-81, MET-90, ILE-97, ILE-100, ASP-101, LEU- REMARK 3 106, HIS-112, HIS-114, HIS-115. CHAIN B SER-2, LEU-1, ASN-3, REMARK 3 ILE-24, GLU-39, ILE-62, LEU-87, ASP-101, LYS-105, LEU-110. REMARK 4 REMARK 4 2CCZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 19-JAN-06. REMARK 100 THE PDBE ID CODE IS EBI-27306. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 30-APR-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSRRC REMARK 200 BEAMLINE : BL17B2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.12714 REMARK 200 MONOCHROMATOR : DCM WITH SAGITTAL FOCUSING REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6773 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 4.900 REMARK 200 R MERGE (I) : 0.07000 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 30.3400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 REMARK 200 R MERGE FOR SHELL (I) : 0.42000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 4.700 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: PDB ENTRY 1V1Q REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 31 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.8 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-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 22.76850 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 49.54800 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.57400 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 49.54800 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.76850 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 25.57400 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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, GLY 103 TO VAL REMARK 400 ENGINEERED RESIDUE IN CHAIN B, GLY 103 TO VAL 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 HIS A 117 REMARK 465 MET B -6 REMARK 465 ASP B -5 REMARK 465 HIS B 116 REMARK 465 HIS B 117 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 MET A -6 CG SD CE REMARK 470 ASP A -5 CG OD1 OD2 REMARK 470 LEU A -1 CG CD1 CD2 REMARK 470 LEU A 16 CG CD1 CD2 REMARK 470 SER A 20 OG REMARK 470 GLN A 45 CG CD OE1 NE2 REMARK 470 ASN A 59 CG OD1 ND2 REMARK 470 HIS A 81 CG ND1 CD2 CE1 NE2 REMARK 470 MET A 90 CG SD CE REMARK 470 ILE A 97 CG1 CG2 CD1 REMARK 470 ILE A 100 CG1 CG2 CD1 REMARK 470 ASP A 101 CG OD1 OD2 REMARK 470 LEU A 106 CG CD1 CD2 REMARK 470 HIS A 112 CG ND1 CD2 CE1 NE2 REMARK 470 HIS A 114 CG ND1 CD2 CE1 NE2 REMARK 470 HIS A 115 CG ND1 CD2 CE1 NE2 REMARK 470 HIS A 116 CA C O CB CG ND1 CD2 CE1 NE2 REMARK 470 SER B -2 OG REMARK 470 LEU B -1 CG CD1 CD2 REMARK 470 ASN B 3 CG OD1 ND2 REMARK 470 ILE B 24 CG1 CG2 CD1 REMARK 470 GLU B 39 CG CD OE1 OE2 REMARK 470 ILE B 62 CG1 CG2 CD1 REMARK 470 LEU B 87 CG CD1 CD2 REMARK 470 ASP B 101 CG OD1 OD2 REMARK 470 LYS B 105 CG CD CE NZ REMARK 470 LEU B 110 CG CD1 CD2 REMARK 470 HIS B 115 CA C O CB CG ND1 CD2 CE1 NE2 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 OE2 GLU A 98 - O HOH A 2049 2.13 REMARK 500 OG SER B 88 - O HOH B 2033 2.14 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 PRO A 21 C - N - CA ANGL. DEV. = 10.7 DEGREES REMARK 500 PRO B 21 C - N - CA ANGL. DEV. = 9.2 DEGREES REMARK 500 CYS B 80 CA - CB - SG ANGL. DEV. = -8.9 DEGREES REMARK 500 DT C 6 O4' - C1' - N1 ANGL. DEV. = -2.4 DEGREES REMARK 500 DT C 8 O4' - C1' - N1 ANGL. DEV. = -2.0 DEGREES REMARK 500 DT C 11 N1 - C1' - C2' ANGL. DEV. = -10.0 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 ASN A -3 53.73 -67.73 REMARK 500 LEU A -1 35.95 -174.14 REMARK 500 ASN A 3 114.52 -162.46 REMARK 500 PRO A 21 -46.69 -7.56 REMARK 500 PHE A 29 164.69 178.63 REMARK 500 HIS A 57 -70.66 -63.64 REMARK 500 GLU A 58 -60.17 -25.06 REMARK 500 CYS A 80 -155.82 -151.69 REMARK 500 HIS A 81 137.92 151.14 REMARK 500 LYS A 82 52.83 -158.42 REMARK 500 LYS A 84 22.12 -65.19 REMARK 500 SER A 88 -105.91 -82.72 REMARK 500 LYS A 89 166.22 177.08 REMARK 500 HIS A 114 -109.68 -46.69 REMARK 500 ASN B -3 -107.72 -83.97 REMARK 500 SER B -2 -170.95 33.96 REMARK 500 MET B 1 93.96 -48.84 REMARK 500 CYS B 12 -80.94 -69.57 REMARK 500 ALA B 14 -142.41 52.59 REMARK 500 PRO B 21 0.31 -42.36 REMARK 500 GLU B 38 137.87 137.05 REMARK 500 GLU B 39 -104.53 -12.20 REMARK 500 CYS B 48 132.37 -179.74 REMARK 500 ALA B 61 -74.05 -65.25 REMARK 500 HIS B 64 10.88 -52.70 REMARK 500 ALA B 83 -155.67 -115.88 REMARK 500 LEU B 87 -84.42 -37.74 REMARK 500 HIS B 113 56.47 -101.57 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 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE RECOMBINANT FORM OF PRIB CONTAINS PARTIAL T7 TAG IN N- REMARK 999 TERMINAL END, AND HIS TAG IN C-TERMINAL END. GLY-103 IS REMARK 999 REPLACED BY VAL. DBREF 2CCZ A -6 -1 PDB 2CCZ 2CCZ -6 -1 DBREF 2CCZ A 1 1 PDB 2CCZ 2CCZ 1 1 DBREF 2CCZ A 2 104 UNP P07013 PRIB_ECOLI 1 103 DBREF 2CCZ A 105 117 PDB 2CCZ 2CCZ 105 117 DBREF 2CCZ B -6 -1 PDB 2CCZ 2CCZ -6 -1 DBREF 2CCZ B 1 1 PDB 2CCZ 2CCZ 1 1 DBREF 2CCZ B 2 104 UNP P07013 PRIB_ECOLI 1 103 DBREF 2CCZ B 105 117 PDB 2CCZ 2CCZ 105 117 DBREF 2CCZ C 1 15 PDB 2CCZ 2CCZ 1 15 SEQADV 2CCZ VAL A 103 UNP P07013 GLY 102 ENGINEERED MUTATION SEQADV 2CCZ VAL B 103 UNP P07013 GLY 102 ENGINEERED MUTATION SEQRES 1 C 15 DT DT DT DT DT DT DT DT DT DT DT DT DT SEQRES 2 C 15 DT DT SEQRES 1 A 123 MET ASP PRO ASN SER LEU MET THR ASN ARG LEU VAL LEU SEQRES 2 A 123 SER GLY THR VAL CYS ARG ALA PRO LEU ARG LYS VAL SER SEQRES 3 A 123 PRO SER GLY ILE PRO HIS CYS GLN PHE VAL LEU GLU HIS SEQRES 4 A 123 ARG SER VAL GLN GLU GLU ALA GLY PHE HIS ARG GLN ALA SEQRES 5 A 123 TRP CYS GLN MET PRO VAL ILE VAL SER GLY HIS GLU ASN SEQRES 6 A 123 GLN ALA ILE THR HIS SER ILE THR VAL GLY SER ARG ILE SEQRES 7 A 123 THR VAL GLN GLY PHE ILE SER CYS HIS LYS ALA LYS ASN SEQRES 8 A 123 GLY LEU SER LYS MET VAL LEU HIS ALA GLU GLN ILE GLU SEQRES 9 A 123 LEU ILE ASP SER VAL ASP LYS LEU ALA ALA ALA LEU GLU SEQRES 10 A 123 HIS HIS HIS HIS HIS HIS SEQRES 1 B 123 MET ASP PRO ASN SER LEU MET THR ASN ARG LEU VAL LEU SEQRES 2 B 123 SER GLY THR VAL CYS ARG ALA PRO LEU ARG LYS VAL SER SEQRES 3 B 123 PRO SER GLY ILE PRO HIS CYS GLN PHE VAL LEU GLU HIS SEQRES 4 B 123 ARG SER VAL GLN GLU GLU ALA GLY PHE HIS ARG GLN ALA SEQRES 5 B 123 TRP CYS GLN MET PRO VAL ILE VAL SER GLY HIS GLU ASN SEQRES 6 B 123 GLN ALA ILE THR HIS SER ILE THR VAL GLY SER ARG ILE SEQRES 7 B 123 THR VAL GLN GLY PHE ILE SER CYS HIS LYS ALA LYS ASN SEQRES 8 B 123 GLY LEU SER LYS MET VAL LEU HIS ALA GLU GLN ILE GLU SEQRES 9 B 123 LEU ILE ASP SER VAL ASP LYS LEU ALA ALA ALA LEU GLU SEQRES 10 B 123 HIS HIS HIS HIS HIS HIS FORMUL 4 HOH *119(H2 O1) HELIX 1 1 ASN A 59 SER A 65 1 7 HELIX 2 2 SER A 102 HIS A 112 1 11 HELIX 3 3 GLY B 56 HIS B 64 1 9 HELIX 4 4 ILE B 100 HIS B 112 1 13 SHEET 1 AA 6 ILE A 78 SER A 79 0 SHEET 2 AA 6 VAL A 91 HIS A 93 -1 O VAL A 91 N SER A 79 SHEET 3 AA 6 PHE A 42 SER A 55 1 O PRO A 51 N LEU A 92 SHEET 4 AA 6 ILE A 24 GLU A 39 -1 O CYS A 27 N VAL A 54 SHEET 5 AA 6 ASN A 3 SER A 20 -1 O THR A 10 N GLU A 32 SHEET 6 AA 6 ASN B 3 VAL B 11 -1 O ARG B 4 N VAL A 6 SHEET 1 AB 7 ILE A 78 SER A 79 0 SHEET 2 AB 7 VAL A 91 HIS A 93 -1 O VAL A 91 N SER A 79 SHEET 3 AB 7 PHE A 42 SER A 55 1 O PRO A 51 N LEU A 92 SHEET 4 AB 7 ILE A 24 GLU A 39 -1 O CYS A 27 N VAL A 54 SHEET 5 AB 7 ASN A 3 SER A 20 -1 O THR A 10 N GLU A 32 SHEET 6 AB 7 ARG A 71 GLY A 76 -1 O ILE A 72 N GLY A 9 SHEET 7 AB 7 GLN A 96 LEU A 99 -1 O GLN A 96 N GLN A 75 SSBOND 1 CYS A 48 CYS B 80 1555 1555 2.03 SSBOND 2 CYS A 80 CYS B 48 1555 1555 2.05 CISPEP 1 ALA B 14 PRO B 15 0 -0.13 CRYST1 45.537 51.148 99.096 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.021960 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019551 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010091 0.00000 ATOM 1 N MET A -6 28.031 3.636 10.418 1.00 51.61 N ATOM 2 CA MET A -6 26.623 4.042 10.109 1.00 52.72 C ATOM 3 C MET A -6 25.621 2.998 10.608 1.00 52.91 C ATOM 4 O MET A -6 25.070 2.235 9.808 1.00 53.71 O ATOM 5 CB MET A -6 26.450 4.248 8.594 1.00 52.59 C ATOM 6 N ASP A -5 25.379 2.963 11.917 1.00 52.56 N ATOM 7 CA ASP A -5 24.440 1.992 12.459 1.00 52.71 C ATOM 8 C ASP A -5 23.168 2.604 13.057 1.00 52.58 C ATOM 9 O ASP A -5 22.067 2.335 12.565 1.00 53.63 O ATOM 10 CB ASP A -5 25.147 1.085 13.483 1.00 53.33 C ATOM 11 N PRO A -4 23.286 3.440 14.114 1.00 51.74 N ATOM 12 CA PRO A -4 22.069 4.029 14.692 1.00 51.05 C ATOM 13 C PRO A -4 21.305 4.945 13.715 1.00 51.03 C ATOM 14 O PRO A -4 20.071 4.985 13.759 1.00 51.22 O ATOM 15 CB PRO A -4 22.592 4.778 15.922 1.00 50.41 C ATOM 16 CG PRO A -4 23.817 4.020 16.282 1.00 49.93 C ATOM 17 CD PRO A -4 24.452 3.791 14.939 1.00 50.67 C ATOM 18 N ASN A -3 22.026 5.678 12.850 1.00 50.08 N ATOM 19 CA ASN A -3 21.361 6.539 11.863 1.00 47.92 C ATOM 20 C ASN A -3 20.670 5.591 10.907 1.00 45.48 C ATOM 21 O ASN A -3 20.868 5.650 9.708 1.00 44.13 O ATOM 22 CB ASN A -3 22.341 7.399 11.055 1.00 48.92 C ATOM 23 CG ASN A -3 23.790 7.075 11.343 1.00 49.19 C ATOM 24 OD1 ASN A -3 24.386 7.628 12.269 1.00 48.50 O ATOM 25 ND2 ASN A -3 24.371 6.169 10.551 1.00 49.62 N ATOM 26 N SER A -2 19.864 4.705 11.465 1.00 43.73 N ATOM 27 CA SER A -2 19.140 3.718 10.699 1.00 42.24 C ATOM 28 C SER A -2 17.698 4.081 10.910 1.00 40.54 C ATOM 29 O SER A -2 16.792 3.327 10.526 1.00 41.79 O ATOM 30 CB SER A -2 19.466 2.331 11.257 1.00 42.44 C ATOM 31 OG SER A -2 18.829 1.308 10.510 1.00 45.19 O ATOM 32 N LEU A -1 17.528 5.252 11.547 1.00 38.88 N ATOM 33 CA LEU A -1 16.219 5.839 11.913 1.00 36.75 C ATOM 34 C LEU A -1 16.405 7.249 12.498 1.00 36.04 C ATOM 35 O LEU A -1 15.683 7.637 13.419 1.00 33.87 O ATOM 36 CB LEU A -1 15.509 4.951 12.969 1.00 35.70 C ATOM 37 N MET A 1 17.371 7.998 11.973 1.00 35.88 N ATOM 38 CA MET A 1 17.661 9.345 12.459 1.00 37.60 C ATOM 39 C MET A 1 17.435 10.429 11.431 1.00 37.77 C ATOM 40 O MET A 1 18.096 11.464 11.439 1.00 37.24 O ATOM 41 CB MET A 1 19.107 9.419 12.892 1.00 39.42 C ATOM 42 CG MET A 1 19.425 8.626 14.118 1.00 43.14 C ATOM 43 SD MET A 1 21.143 8.889 14.592 1.00 45.03 S ATOM 44 CE MET A 1 21.049 8.622 16.366 1.00 43.45 C ATOM 45 N THR A 2 16.524 10.157 10.517 1.00 36.93 N ATOM 46 CA THR A 2 16.229 11.077 9.455 1.00 35.21 C ATOM 47 C THR A 2 15.080 11.975 9.816 1.00 35.98 C ATOM 48 O THR A 2 13.955 11.527 10.070 1.00 36.50 O ATOM 49 CB THR A 2 15.885 10.328 8.158 1.00 34.48 C ATOM 50 OG1 THR A 2 14.888 11.054 7.427 1.00 33.52 O ATOM 51 CG2 THR A 2 15.363 8.944 8.479 1.00 33.80 C ATOM 52 N ASN A 3 15.366 13.260 9.877 1.00 35.18 N ATOM 53 CA ASN A 3 14.298 14.171 10.141 1.00 35.11 C ATOM 54 C ASN A 3 14.751 15.560 9.740 1.00 34.08 C ATOM 55 O ASN A 3 15.714 16.111 10.278 1.00 34.60 O ATOM 56 CB ASN A 3 13.846 14.052 11.592 1.00 35.03 C ATOM 57 CG ASN A 3 14.559 14.982 12.492 1.00 33.63 C ATOM 58 OD1 ASN A 3 15.668 14.709 12.919 1.00 35.76 O ATOM 59 ND2 ASN A 3 13.929 16.105 12.792 1.00 31.81 N ATOM 60 N ARG A 4 14.065 16.066 8.718 1.00 32.29 N ATOM 61 CA ARG A 4 14.292 17.375 8.130 1.00 31.59 C ATOM 62 C ARG A 4 12.940 18.018 8.026 1.00 29.37 C ATOM 63 O ARG A 4 11.966 17.390 7.623 1.00 28.10 O ATOM 64 CB ARG A 4 14.825 17.264 6.703 1.00 35.53 C ATOM 65 CG ARG A 4 16.142 17.961 6.417 1.00 40.72 C ATOM 66 CD ARG A 4 17.313 17.075 6.800 1.00 44.68 C ATOM 67 NE ARG A 4 17.546 17.025 8.245 1.00 48.95 N ATOM 68 CZ ARG A 4 18.018 15.955 8.894 1.00 51.01 C ATOM 69 NH1 ARG A 4 18.290 14.840 8.226 1.00 50.68 N ATOM 70 NH2 ARG A 4 18.256 16.002 10.204 1.00 50.21 N ATOM 71 N LEU A 5 12.871 19.287 8.365 1.00 28.07 N ATOM 72 CA LEU A 5 11.616 19.995 8.259 1.00 25.18 C ATOM 73 C LEU A 5 11.993 21.164 7.395 1.00 24.00 C ATOM 74 O LEU A 5 13.091 21.707 7.519 1.00 22.36 O ATOM 75 CB LEU A 5 11.144 20.483 9.633 1.00 26.07 C ATOM 76 CG LEU A 5 9.786 21.210 9.745 1.00 26.97 C ATOM 77 CD1 LEU A 5 9.968 22.719 9.889 1.00 28.26 C ATOM 78 CD2 LEU A 5 8.924 20.907 8.525 1.00 26.76 C ATOM 79 N VAL A 6 11.129 21.495 6.455 1.00 22.09 N ATOM 80 CA VAL A 6 11.373 22.660 5.622 1.00 20.18 C ATOM 81 C VAL A 6 10.092 23.440 5.770 1.00 18.46 C ATOM 82 O VAL A 6 9.022 22.972 5.366 1.00 17.88 O ATOM 83 CB VAL A 6 11.577 22.334 4.135 1.00 20.89 C ATOM 84 CG1 VAL A 6 11.496 23.648 3.308 1.00 19.75 C ATOM 85 CG2 VAL A 6 12.931 21.634 3.934 1.00 18.28 C ATOM 86 N LEU A 7 10.186 24.604 6.393 1.00 17.60 N ATOM 87 CA LEU A 7 9.007 25.438 6.559 1.00 18.27 C ATOM 88 C LEU A 7 9.324 26.884 6.091 1.00 19.43 C ATOM 89 O LEU A 7 10.373 27.459 6.410 1.00 19.90 O ATOM 90 CB LEU A 7 8.576 25.406 8.027 1.00 13.23 C ATOM 91 CG LEU A 7 7.195 25.884 8.472 1.00 15.03 C ATOM 92 CD1 LEU A 7 6.128 24.969 7.936 1.00 9.32 C ATOM 93 CD2 LEU A 7 7.092 25.914 9.980 1.00 16.25 C ATOM 94 N SER A 8 8.450 27.435 5.263 1.00 20.60 N ATOM 95 CA SER A 8 8.599 28.798 4.779 1.00 22.97 C ATOM 96 C SER A 8 7.541 29.474 5.634 1.00 23.97 C ATOM 97 O SER A 8 6.622 28.807 6.085 1.00 24.38 O ATOM 98 CB SER A 8 8.210 28.923 3.292 1.00 22.72 C ATOM 99 OG SER A 8 9.292 28.676 2.404 1.00 21.91 O ATOM 100 N GLY A 9 7.669 30.772 5.869 1.00 25.08 N ATOM 101 CA GLY A 9 6.699 31.484 6.678 1.00 27.04 C ATOM 102 C GLY A 9 7.173 32.884 7.007 1.00 27.97 C ATOM 103 O GLY A 9 8.298 33.277 6.659 1.00 28.58 O ATOM 104 N THR A 10 6.309 33.653 7.658 1.00 27.65 N ATOM 105 CA THR A 10 6.662 35.022 8.019 1.00 28.43 C ATOM 106 C THR A 10 7.040 35.030 9.488 1.00 28.73 C ATOM 107 O THR A 10 6.326 34.472 10.301 1.00 31.84 O ATOM 108 CB THR A 10 5.468 36.018 7.796 1.00 27.94 C ATOM 109 OG1 THR A 10 4.451 35.794 8.778 1.00 27.69 O ATOM 110 CG2 THR A 10 4.856 35.824 6.410 1.00 27.69 C ATOM 111 N VAL A 11 8.162 35.624 9.857 1.00 27.76 N ATOM 112 CA VAL A 11 8.496 35.637 11.280 1.00 29.51 C ATOM 113 C VAL A 11 7.603 36.635 12.045 1.00 30.86 C ATOM 114 O VAL A 11 7.463 37.787 11.651 1.00 31.00 O ATOM 115 CB VAL A 11 9.974 35.979 11.491 1.00 28.93 C ATOM 116 CG1 VAL A 11 10.631 36.283 10.136 1.00 28.45 C ATOM 117 CG2 VAL A 11 10.109 37.134 12.460 1.00 27.20 C ATOM 118 N CYS A 12 6.994 36.185 13.136 1.00 33.21 N ATOM 119 CA CYS A 12 6.113 37.049 13.915 1.00 35.47 C ATOM 120 C CYS A 12 6.682 37.515 15.255 1.00 35.68 C ATOM 121 O CYS A 12 6.117 38.404 15.912 1.00 35.53 O ATOM 122 CB CYS A 12 4.781 36.342 14.131 1.00 37.85 C ATOM 123 SG CYS A 12 4.962 34.560 14.305 1.00 41.84 S ATOM 124 N ARG A 13 7.782 36.884 15.661 1.00 35.45 N ATOM 125 CA ARG A 13 8.462 37.227 16.901 1.00 35.51 C ATOM 126 C ARG A 13 9.924 37.465 16.505 1.00 36.07 C ATOM 127 O ARG A 13 10.594 36.567 15.985 1.00 35.67 O ATOM 128 CB ARG A 13 8.369 36.087 17.912 1.00 35.02 C ATOM 129 CG ARG A 13 8.265 36.513 19.389 1.00 33.78 C ATOM 130 CD ARG A 13 6.831 36.268 19.881 1.00 33.19 C ATOM 131 NE ARG A 13 6.677 36.329 21.332 1.00 33.62 N ATOM 132 CZ ARG A 13 5.759 35.654 22.027 1.00 33.97 C ATOM 133 NH1 ARG A 13 5.693 35.786 23.344 1.00 34.87 N ATOM 134 NH2 ARG A 13 4.918 34.829 21.417 1.00 32.62 N ATOM 135 N ALA A 14 10.377 38.700 16.717 1.00 36.28 N ATOM 136 CA ALA A 14 11.723 39.150 16.407 1.00 35.44 C ATOM 137 C ALA A 14 12.823 38.301 17.039 1.00 35.46 C ATOM 138 O ALA A 14 12.631 37.665 18.074 1.00 36.13 O ATOM 139 CB ALA A 14 11.871 40.587 16.846 1.00 35.69 C ATOM 140 N PRO A 15 14.011 38.309 16.432 1.00 35.10 N ATOM 141 CA PRO A 15 15.137 37.533 16.944 1.00 34.80 C ATOM 142 C PRO A 15 15.656 37.926 18.311 1.00 35.59 C ATOM 143 O PRO A 15 16.245 38.987 18.467 1.00 35.20 O ATOM 144 CB PRO A 15 16.202 37.704 15.861 1.00 34.89 C ATOM 145 CG PRO A 15 15.840 38.980 15.197 1.00 35.95 C ATOM 146 CD PRO A 15 14.341 38.910 15.130 1.00 34.89 C ATOM 147 N LEU A 16 15.438 37.050 19.293 1.00 36.99 N ATOM 148 CA LEU A 16 15.896 37.237 20.672 1.00 36.87 C ATOM 149 C LEU A 16 17.286 36.595 20.769 1.00 37.13 C ATOM 150 O LEU A 16 17.411 35.368 20.891 1.00 36.57 O ATOM 151 CB LEU A 16 14.934 36.542 21.646 1.00 36.02 C ATOM 152 N ARG A 17 18.341 37.399 20.700 1.00 38.02 N ATOM 153 CA ARG A 17 19.679 36.821 20.779 1.00 40.02 C ATOM 154 C ARG A 17 20.202 36.616 22.197 1.00 39.91 C ATOM 155 O ARG A 17 19.864 37.357 23.110 1.00 40.32 O ATOM 156 CB ARG A 17 20.660 37.671 19.958 1.00 42.10 C ATOM 157 CG ARG A 17 20.368 37.646 18.454 1.00 44.25 C ATOM 158 CD ARG A 17 21.291 38.571 17.687 1.00 46.17 C ATOM 159 NE ARG A 17 20.933 38.658 16.269 1.00 48.76 N ATOM 160 CZ ARG A 17 19.785 39.155 15.810 1.00 49.25 C ATOM 161 NH1 ARG A 17 18.862 39.624 16.653 1.00 49.42 N ATOM 162 NH2 ARG A 17 19.557 39.170 14.502 1.00 49.95 N ATOM 163 N LYS A 18 20.997 35.571 22.381 1.00 40.80 N ATOM 164 CA LYS A 18 21.588 35.281 23.675 1.00 40.89 C ATOM 165 C LYS A 18 22.826 34.465 23.408 1.00 41.13 C ATOM 166 O LYS A 18 23.012 33.972 22.294 1.00 41.56 O ATOM 167 CB LYS A 18 20.621 34.508 24.565 1.00 41.49 C ATOM 168 CG LYS A 18 20.747 34.919 26.035 1.00 43.23 C ATOM 169 CD LYS A 18 19.697 34.289 26.948 1.00 41.93 C ATOM 170 CE LYS A 18 19.414 35.183 28.159 1.00 40.91 C ATOM 171 NZ LYS A 18 18.516 36.353 27.852 1.00 38.40 N ATOM 172 N VAL A 19 23.689 34.339 24.408 1.00 41.75 N ATOM 173 CA VAL A 19 24.915 33.562 24.232 1.00 42.95 C ATOM 174 C VAL A 19 25.170 32.626 25.402 1.00 43.86 C ATOM 175 O VAL A 19 25.375 33.067 26.532 1.00 44.57 O ATOM 176 CB VAL A 19 26.132 34.483 24.058 1.00 42.93 C ATOM 177 CG1 VAL A 19 27.398 33.667 23.935 1.00 41.90 C ATOM 178 CG2 VAL A 19 25.933 35.335 22.835 1.00 44.10 C ATOM 179 N SER A 20 25.169 31.330 25.136 1.00 44.08 N ATOM 180 CA SER A 20 25.399 30.391 26.210 1.00 44.00 C ATOM 181 C SER A 20 26.864 30.197 26.574 1.00 44.71 C ATOM 182 O SER A 20 27.750 30.095 25.721 1.00 42.04 O ATOM 183 CB SER A 20 24.775 29.068 25.888 1.00 44.23 C ATOM 184 N PRO A 21 27.120 30.143 27.884 1.00 45.99 N ATOM 185 CA PRO A 21 28.382 29.964 28.584 1.00 47.86 C ATOM 186 C PRO A 21 29.584 29.636 27.721 1.00 49.22 C ATOM 187 O PRO A 21 30.646 30.232 27.877 1.00 50.06 O ATOM 188 CB PRO A 21 28.042 28.839 29.555 1.00 47.43 C ATOM 189 CG PRO A 21 26.641 29.228 30.005 1.00 46.74 C ATOM 190 CD PRO A 21 26.007 29.998 28.842 1.00 46.74 C ATOM 191 N SER A 22 29.412 28.692 26.810 1.00 50.25 N ATOM 192 CA SER A 22 30.510 28.262 25.971 1.00 51.53 C ATOM 193 C SER A 22 30.813 29.292 24.910 1.00 51.55 C ATOM 194 O SER A 22 31.655 29.068 24.044 1.00 51.83 O ATOM 195 CB SER A 22 30.177 26.905 25.351 1.00 53.26 C ATOM 196 OG SER A 22 29.583 26.054 26.326 1.00 52.05 O ATOM 197 N GLY A 23 30.134 30.430 24.988 1.00 51.23 N ATOM 198 CA GLY A 23 30.385 31.493 24.030 1.00 50.99 C ATOM 199 C GLY A 23 29.665 31.350 22.702 1.00 50.94 C ATOM 200 O GLY A 23 29.965 32.067 21.753 1.00 50.53 O ATOM 201 N ILE A 24 28.723 30.414 22.630 1.00 50.86 N ATOM 202 CA ILE A 24 27.965 30.190 21.399 1.00 48.93 C ATOM 203 C ILE A 24 26.795 31.166 21.312 1.00 48.02 C ATOM 204 O ILE A 24 26.065 31.353 22.286 1.00 47.60 O ATOM 205 CB ILE A 24 27.307 28.784 21.323 1.00 49.10 C ATOM 206 CG1 ILE A 24 28.359 27.670 21.329 1.00 50.62 C ATOM 207 CG2 ILE A 24 26.398 28.745 20.073 1.00 49.00 C ATOM 208 CD1 ILE A 24 29.366 27.654 20.156 1.00 52.78 C ATOM 209 N PRO A 25 26.560 31.771 20.136 1.00 47.28 N ATOM 210 CA PRO A 25 25.434 32.702 20.074 1.00 46.46 C ATOM 211 C PRO A 25 24.199 32.071 19.477 1.00 46.37 C ATOM 212 O PRO A 25 24.317 31.353 18.483 1.00 47.59 O ATOM 213 CB PRO A 25 25.953 33.778 19.141 1.00 45.47 C ATOM 214 CG PRO A 25 26.590 32.970 18.095 1.00 45.51 C ATOM 215 CD PRO A 25 27.407 31.953 18.942 1.00 46.14 C ATOM 216 N HIS A 26 23.025 32.310 20.062 1.00 44.78 N ATOM 217 CA HIS A 26 21.788 31.811 19.456 1.00 43.71 C ATOM 218 C HIS A 26 20.700 32.874 19.384 1.00 42.30 C ATOM 219 O HIS A 26 20.637 33.809 20.179 1.00 41.69 O ATOM 220 CB HIS A 26 21.253 30.543 20.132 1.00 45.18 C ATOM 221 CG HIS A 26 21.659 30.403 21.552 1.00 46.83 C ATOM 222 ND1 HIS A 26 21.704 29.184 22.187 1.00 48.10 N ATOM 223 CD2 HIS A 26 22.070 31.318 22.459 1.00 48.21 C ATOM 224 CE1 HIS A 26 22.132 29.353 23.424 1.00 48.58 C ATOM 225 NE2 HIS A 26 22.362 30.640 23.616 1.00 48.25 N ATOM 226 N CYS A 27 19.818 32.689 18.424 1.00 40.87 N ATOM 227 CA CYS A 27 18.774 33.633 18.196 1.00 40.55 C ATOM 228 C CYS A 27 17.430 32.965 17.867 1.00 38.62 C ATOM 229 O CYS A 27 17.312 32.252 16.883 1.00 41.02 O ATOM 230 CB CYS A 27 19.292 34.562 17.088 1.00 42.28 C ATOM 231 SG CYS A 27 18.178 35.011 15.767 1.00 46.48 S ATOM 232 N GLN A 28 16.415 33.182 18.696 1.00 36.72 N ATOM 233 CA GLN A 28 15.106 32.576 18.463 1.00 36.28 C ATOM 234 C GLN A 28 14.142 33.535 17.815 1.00 36.22 C ATOM 235 O GLN A 28 14.445 34.712 17.663 1.00 37.06 O ATOM 236 CB GLN A 28 14.461 32.135 19.781 1.00 37.25 C ATOM 237 CG GLN A 28 12.997 31.671 19.638 1.00 39.27 C ATOM 238 CD GLN A 28 12.353 31.273 20.959 1.00 40.51 C ATOM 239 OE1 GLN A 28 12.908 31.546 22.026 1.00 43.41 O ATOM 240 NE2 GLN A 28 11.173 30.639 20.897 1.00 37.20 N ATOM 241 N PHE A 29 12.981 33.011 17.435 1.00 34.74 N ATOM 242 CA PHE A 29 11.877 33.768 16.861 1.00 32.41 C ATOM 243 C PHE A 29 10.756 32.798 16.535 1.00 33.28 C ATOM 244 O PHE A 29 10.968 31.571 16.529 1.00 33.05 O ATOM 245 CB PHE A 29 12.290 34.611 15.631 1.00 30.10 C ATOM 246 CG PHE A 29 12.799 33.827 14.449 1.00 28.96 C ATOM 247 CD1 PHE A 29 14.160 33.539 14.306 1.00 29.36 C ATOM 248 CD2 PHE A 29 11.936 33.492 13.410 1.00 27.61 C ATOM 249 CE1 PHE A 29 14.646 32.931 13.131 1.00 26.73 C ATOM 250 CE2 PHE A 29 12.406 32.888 12.248 1.00 25.65 C ATOM 251 CZ PHE A 29 13.761 32.613 12.103 1.00 24.02 C ATOM 252 N VAL A 30 9.560 33.324 16.299 1.00 32.08 N ATOM 253 CA VAL A 30 8.435 32.455 16.000 1.00 31.53 C ATOM 254 C VAL A 30 7.959 32.683 14.578 1.00 32.78 C ATOM 255 O VAL A 30 7.423 33.728 14.278 1.00 34.03 O ATOM 256 CB VAL A 30 7.249 32.694 16.950 1.00 30.36 C ATOM 257 CG1 VAL A 30 6.195 31.609 16.726 1.00 29.94 C ATOM 258 CG2 VAL A 30 7.726 32.731 18.401 1.00 27.87 C ATOM 259 N LEU A 31 8.145 31.689 13.709 1.00 32.12 N ATOM 260 CA LEU A 31 7.758 31.779 12.296 1.00 28.60 C ATOM 261 C LEU A 31 6.302 31.437 12.172 1.00 26.76 C ATOM 262 O LEU A 31 5.860 30.488 12.785 1.00 28.01 O ATOM 263 CB LEU A 31 8.572 30.777 11.486 1.00 28.35 C ATOM 264 CG LEU A 31 8.443 30.624 9.968 1.00 29.31 C ATOM 265 CD1 LEU A 31 9.346 31.662 9.238 1.00 27.02 C ATOM 266 CD2 LEU A 31 8.869 29.177 9.582 1.00 28.54 C ATOM 267 N GLU A 32 5.533 32.221 11.431 1.00 25.00 N ATOM 268 CA GLU A 32 4.127 31.870 11.259 1.00 23.59 C ATOM 269 C GLU A 32 4.006 31.354 9.835 1.00 25.68 C ATOM 270 O GLU A 32 4.335 32.049 8.853 1.00 27.57 O ATOM 271 CB GLU A 32 3.171 33.051 11.468 1.00 20.97 C ATOM 272 CG GLU A 32 1.687 32.632 11.670 1.00 19.58 C ATOM 273 CD GLU A 32 0.719 33.822 11.583 1.00 18.47 C ATOM 274 OE1 GLU A 32 -0.339 33.798 12.253 1.00 16.94 O ATOM 275 OE2 GLU A 32 1.012 34.781 10.826 1.00 21.55 O ATOM 276 N HIS A 33 3.592 30.102 9.725 1.00 23.80 N ATOM 277 CA HIS A 33 3.452 29.510 8.431 1.00 22.75 C ATOM 278 C HIS A 33 1.965 29.389 8.175 1.00 23.47 C ATOM 279 O HIS A 33 1.195 29.125 9.092 1.00 25.28 O ATOM 280 CB HIS A 33 4.159 28.144 8.405 1.00 21.76 C ATOM 281 CG HIS A 33 3.806 27.309 7.208 1.00 22.21 C ATOM 282 ND1 HIS A 33 2.557 26.745 7.063 1.00 19.05 N ATOM 283 CD2 HIS A 33 4.461 27.090 6.040 1.00 21.32 C ATOM 284 CE1 HIS A 33 2.444 26.234 5.850 1.00 20.60 C ATOM 285 NE2 HIS A 33 3.581 26.432 5.210 1.00 21.39 N ATOM 286 N ARG A 34 1.550 29.611 6.935 1.00 23.48 N ATOM 287 CA ARG A 34 0.143 29.517 6.570 1.00 23.81 C ATOM 288 C ARG A 34 0.178 29.111 5.123 1.00 23.75 C ATOM 289 O ARG A 34 0.958 29.648 4.348 1.00 25.50 O ATOM 290 CB ARG A 34 -0.534 30.881 6.711 1.00 26.95 C ATOM 291 CG ARG A 34 -1.861 30.880 7.494 1.00 29.25 C ATOM 292 CD ARG A 34 -2.899 30.055 6.748 1.00 31.57 C ATOM 293 NE ARG A 34 -4.051 29.656 7.547 1.00 31.41 N ATOM 294 CZ ARG A 34 -5.173 29.210 7.000 1.00 31.98 C ATOM 295 NH1 ARG A 34 -6.202 28.853 7.764 1.00 29.02 N ATOM 296 NH2 ARG A 34 -5.258 29.131 5.674 1.00 30.85 N ATOM 297 N SER A 35 -0.634 28.131 4.764 1.00 23.38 N ATOM 298 CA SER A 35 -0.672 27.655 3.386 1.00 22.95 C ATOM 299 C SER A 35 -1.905 26.824 3.114 1.00 22.87 C ATOM 300 O SER A 35 -2.637 26.459 4.031 1.00 24.01 O ATOM 301 CB SER A 35 0.558 26.786 3.076 1.00 21.67 C ATOM 302 OG SER A 35 0.596 25.586 3.849 1.00 15.71 O ATOM 303 N VAL A 36 -2.131 26.545 1.838 1.00 21.95 N ATOM 304 CA VAL A 36 -3.238 25.716 1.393 1.00 21.27 C ATOM 305 C VAL A 36 -2.472 24.438 1.138 1.00 20.80 C ATOM 306 O VAL A 36 -1.402 24.502 0.529 1.00 18.31 O ATOM 307 CB VAL A 36 -3.810 26.213 0.052 1.00 21.03 C ATOM 308 CG1 VAL A 36 -5.110 26.948 0.261 1.00 23.29 C ATOM 309 CG2 VAL A 36 -2.826 27.134 -0.592 1.00 22.69 C ATOM 310 N GLN A 37 -2.975 23.308 1.648 1.00 20.42 N ATOM 311 CA GLN A 37 -2.346 21.992 1.444 1.00 21.48 C ATOM 312 C GLN A 37 -3.390 21.015 0.938 1.00 22.71 C ATOM 313 O GLN A 37 -4.531 21.046 1.401 1.00 22.27 O ATOM 314 CB GLN A 37 -1.754 21.455 2.745 1.00 20.23 C ATOM 315 CG GLN A 37 -0.498 22.221 3.239 1.00 16.79 C ATOM 316 CD GLN A 37 0.572 22.311 2.178 1.00 15.62 C ATOM 317 OE1 GLN A 37 1.608 22.921 2.380 1.00 17.84 O ATOM 318 NE2 GLN A 37 0.321 21.701 1.046 1.00 17.21 N ATOM 319 N GLU A 38 -3.026 20.169 -0.031 1.00 24.41 N ATOM 320 CA GLU A 38 -3.987 19.178 -0.551 1.00 25.76 C ATOM 321 C GLU A 38 -3.817 17.811 0.143 1.00 24.11 C ATOM 322 O GLU A 38 -2.713 17.282 0.267 1.00 23.42 O ATOM 323 CB GLU A 38 -3.867 19.004 -2.072 1.00 26.58 C ATOM 324 CG GLU A 38 -2.624 18.259 -2.502 1.00 30.78 C ATOM 325 CD GLU A 38 -2.927 16.994 -3.275 1.00 33.20 C ATOM 326 OE1 GLU A 38 -2.780 15.883 -2.726 1.00 33.02 O ATOM 327 OE2 GLU A 38 -3.316 17.113 -4.448 1.00 37.63 O ATOM 328 N GLU A 39 -4.934 17.257 0.586 1.00 24.15 N ATOM 329 CA GLU A 39 -4.969 15.988 1.305 1.00 25.37 C ATOM 330 C GLU A 39 -6.205 15.196 0.878 1.00 24.40 C ATOM 331 O GLU A 39 -7.325 15.693 0.987 1.00 24.12 O ATOM 332 CB GLU A 39 -5.090 16.279 2.800 1.00 26.41 C ATOM 333 CG GLU A 39 -4.007 15.709 3.676 1.00 30.07 C ATOM 334 CD GLU A 39 -4.602 15.099 4.932 1.00 31.70 C ATOM 335 OE1 GLU A 39 -5.219 15.860 5.708 1.00 33.89 O ATOM 336 OE2 GLU A 39 -4.480 13.863 5.134 1.00 31.16 O ATOM 337 N ALA A 40 -6.038 13.973 0.400 1.00 22.70 N ATOM 338 CA ALA A 40 -7.229 13.220 0.027 1.00 23.24 C ATOM 339 C ALA A 40 -7.895 13.776 -1.230 1.00 22.34 C ATOM 340 O ALA A 40 -9.124 13.677 -1.391 1.00 21.72 O ATOM 341 CB ALA A 40 -8.219 13.217 1.191 1.00 21.98 C ATOM 342 N GLY A 41 -7.066 14.342 -2.116 1.00 22.71 N ATOM 343 CA GLY A 41 -7.519 14.907 -3.382 1.00 23.98 C ATOM 344 C GLY A 41 -8.268 16.205 -3.187 1.00 24.49 C ATOM 345 O GLY A 41 -8.937 16.696 -4.085 1.00 26.40 O ATOM 346 N PHE A 42 -8.185 16.742 -1.986 1.00 24.26 N ATOM 347 CA PHE A 42 -8.859 17.976 -1.685 1.00 24.04 C ATOM 348 C PHE A 42 -7.867 18.880 -1.010 1.00 23.66 C ATOM 349 O PHE A 42 -6.726 18.484 -0.808 1.00 24.13 O ATOM 350 CB PHE A 42 -10.028 17.710 -0.772 1.00 26.24 C ATOM 351 CG PHE A 42 -11.244 17.238 -1.484 1.00 26.94 C ATOM 352 CD1 PHE A 42 -12.188 18.155 -1.934 1.00 27.35 C ATOM 353 CD2 PHE A 42 -11.476 15.884 -1.662 1.00 28.26 C ATOM 354 CE1 PHE A 42 -13.361 17.736 -2.543 1.00 28.38 C ATOM 355 CE2 PHE A 42 -12.649 15.444 -2.273 1.00 29.25 C ATOM 356 CZ PHE A 42 -13.602 16.376 -2.716 1.00 28.96 C ATOM 357 N HIS A 43 -8.299 20.088 -0.658 1.00 22.63 N ATOM 358 CA HIS A 43 -7.424 21.084 -0.031 1.00 22.82 C ATOM 359 C HIS A 43 -7.935 21.588 1.308 1.00 24.09 C ATOM 360 O HIS A 43 -9.146 21.655 1.576 1.00 24.42 O ATOM 361 CB HIS A 43 -7.218 22.283 -0.968 1.00 21.90 C ATOM 362 CG HIS A 43 -6.543 21.939 -2.258 1.00 18.53 C ATOM 363 ND1 HIS A 43 -7.198 21.324 -3.309 1.00 15.73 N ATOM 364 CD2 HIS A 43 -5.273 22.152 -2.674 1.00 16.63 C ATOM 365 CE1 HIS A 43 -6.358 21.184 -4.318 1.00 17.97 C ATOM 366 NE2 HIS A 43 -5.183 21.677 -3.959 1.00 18.14 N ATOM 367 N ARG A 44 -6.989 21.980 2.141 1.00 25.62 N ATOM 368 CA ARG A 44 -7.316 22.437 3.474 1.00 27.66 C ATOM 369 C ARG A 44 -6.180 23.337 3.889 1.00 27.41 C ATOM 370 O ARG A 44 -5.053 23.190 3.412 1.00 27.40 O ATOM 371 CB ARG A 44 -7.339 21.239 4.400 1.00 31.65 C ATOM 372 CG ARG A 44 -6.016 20.486 4.274 1.00 36.43 C ATOM 373 CD ARG A 44 -5.916 19.264 5.114 1.00 41.10 C ATOM 374 NE ARG A 44 -7.052 18.405 4.851 1.00 45.94 N ATOM 375 CZ ARG A 44 -8.203 18.492 5.514 1.00 47.52 C ATOM 376 NH1 ARG A 44 -8.345 19.403 6.485 1.00 44.89 N ATOM 377 NH2 ARG A 44 -9.211 17.674 5.198 1.00 46.71 N ATOM 378 N GLN A 45 -6.462 24.250 4.804 1.00 28.65 N ATOM 379 CA GLN A 45 -5.439 25.178 5.282 1.00 27.79 C ATOM 380 C GLN A 45 -4.450 24.574 6.277 1.00 26.51 C ATOM 381 O GLN A 45 -4.826 23.748 7.107 1.00 25.85 O ATOM 382 CB GLN A 45 -6.104 26.374 5.899 1.00 27.67 C ATOM 383 N ALA A 46 -3.189 24.997 6.192 1.00 25.83 N ATOM 384 CA ALA A 46 -2.137 24.522 7.097 1.00 27.47 C ATOM 385 C ALA A 46 -1.490 25.732 7.777 1.00 28.56 C ATOM 386 O ALA A 46 -0.654 26.417 7.189 1.00 31.59 O ATOM 387 CB ALA A 46 -1.075 23.701 6.333 1.00 25.85 C ATOM 388 N TRP A 47 -1.888 25.983 9.024 1.00 30.33 N ATOM 389 CA TRP A 47 -1.403 27.126 9.810 1.00 32.20 C ATOM 390 C TRP A 47 -0.601 26.677 11.038 1.00 31.94 C ATOM 391 O TRP A 47 -1.090 25.889 11.845 1.00 30.58 O ATOM 392 CB TRP A 47 -2.608 27.993 10.265 1.00 33.71 C ATOM 393 CG TRP A 47 -2.218 28.985 11.338 1.00 35.03 C ATOM 394 CD1 TRP A 47 -1.580 30.184 11.155 1.00 35.16 C ATOM 395 CD2 TRP A 47 -2.230 28.762 12.753 1.00 35.75 C ATOM 396 NE1 TRP A 47 -1.175 30.700 12.353 1.00 35.29 N ATOM 397 CE2 TRP A 47 -1.561 29.840 13.356 1.00 36.94 C ATOM 398 CE3 TRP A 47 -2.729 27.738 13.577 1.00 35.03 C ATOM 399 CZ2 TRP A 47 -1.382 29.930 14.742 1.00 37.00 C ATOM 400 CZ3 TRP A 47 -2.551 27.832 14.953 1.00 33.87 C ATOM 401 CH2 TRP A 47 -1.884 28.906 15.517 1.00 34.81 C ATOM 402 N CYS A 48 0.612 27.199 11.202 1.00 32.94 N ATOM 403 CA CYS A 48 1.411 26.789 12.342 1.00 34.22 C ATOM 404 C CYS A 48 2.477 27.780 12.799 1.00 33.49 C ATOM 405 O CYS A 48 3.102 28.465 11.974 1.00 34.68 O ATOM 406 CB CYS A 48 2.080 25.435 12.035 1.00 36.86 C ATOM 407 SG CYS A 48 2.432 24.470 13.545 1.00 43.03 S ATOM 408 N GLN A 49 2.675 27.874 14.114 1.00 32.03 N ATOM 409 CA GLN A 49 3.713 28.753 14.646 1.00 31.47 C ATOM 410 C GLN A 49 4.861 27.862 15.093 1.00 30.22 C ATOM 411 O GLN A 49 4.749 27.036 15.985 1.00 30.99 O ATOM 412 CB GLN A 49 3.187 29.624 15.792 1.00 30.59 C ATOM 413 CG GLN A 49 2.208 30.683 15.286 1.00 31.62 C ATOM 414 CD GLN A 49 1.703 31.623 16.370 1.00 31.85 C ATOM 415 OE1 GLN A 49 0.511 31.649 16.681 1.00 31.43 O ATOM 416 NE2 GLN A 49 2.611 32.407 16.945 1.00 32.78 N ATOM 417 N MET A 50 5.975 28.018 14.418 1.00 29.29 N ATOM 418 CA MET A 50 7.123 27.204 14.706 1.00 28.80 C ATOM 419 C MET A 50 8.200 28.022 15.372 1.00 29.89 C ATOM 420 O MET A 50 8.761 28.946 14.787 1.00 32.85 O ATOM 421 CB MET A 50 7.640 26.562 13.396 1.00 29.46 C ATOM 422 CG MET A 50 8.744 25.531 13.575 1.00 29.92 C ATOM 423 SD MET A 50 8.373 24.197 14.752 1.00 31.67 S ATOM 424 CE MET A 50 7.269 23.165 13.778 1.00 28.60 C ATOM 425 N PRO A 51 8.500 27.700 16.623 1.00 28.95 N ATOM 426 CA PRO A 51 9.537 28.453 17.312 1.00 27.34 C ATOM 427 C PRO A 51 10.858 27.977 16.777 1.00 25.97 C ATOM 428 O PRO A 51 11.305 26.940 17.165 1.00 27.31 O ATOM 429 CB PRO A 51 9.357 28.052 18.778 1.00 26.79 C ATOM 430 CG PRO A 51 7.925 27.662 18.850 1.00 27.77 C ATOM 431 CD PRO A 51 7.729 26.889 17.566 1.00 29.82 C ATOM 432 N VAL A 52 11.492 28.712 15.887 1.00 25.70 N ATOM 433 CA VAL A 52 12.770 28.248 15.406 1.00 26.84 C ATOM 434 C VAL A 52 13.906 28.942 16.149 1.00 28.43 C ATOM 435 O VAL A 52 13.710 29.955 16.804 1.00 30.17 O ATOM 436 CB VAL A 52 12.882 28.483 13.918 1.00 28.94 C ATOM 437 CG1 VAL A 52 11.560 28.097 13.252 1.00 28.68 C ATOM 438 CG2 VAL A 52 13.231 29.920 13.655 1.00 29.77 C ATOM 439 N ILE A 53 15.102 28.392 16.058 1.00 30.59 N ATOM 440 CA ILE A 53 16.241 28.971 16.751 1.00 32.39 C ATOM 441 C ILE A 53 17.434 28.605 15.911 1.00 32.04 C ATOM 442 O ILE A 53 17.490 27.502 15.372 1.00 31.62 O ATOM 443 CB ILE A 53 16.396 28.355 18.180 1.00 34.28 C ATOM 444 CG1 ILE A 53 17.772 28.697 18.798 1.00 33.18 C ATOM 445 CG2 ILE A 53 16.245 26.850 18.095 1.00 34.51 C ATOM 446 CD1 ILE A 53 19.046 27.982 18.266 1.00 37.05 C ATOM 447 N VAL A 54 18.375 29.529 15.797 1.00 30.75 N ATOM 448 CA VAL A 54 19.560 29.294 15.010 1.00 33.87 C ATOM 449 C VAL A 54 20.728 29.475 15.957 1.00 35.24 C ATOM 450 O VAL A 54 20.846 30.484 16.629 1.00 35.52 O ATOM 451 CB VAL A 54 19.572 30.270 13.805 1.00 34.60 C ATOM 452 CG1 VAL A 54 19.329 31.678 14.291 1.00 35.59 C ATOM 453 CG2 VAL A 54 20.875 30.161 13.016 1.00 34.50 C ATOM 454 N SER A 55 21.601 28.484 16.020 1.00 37.23 N ATOM 455 CA SER A 55 22.710 28.546 16.952 1.00 38.80 C ATOM 456 C SER A 55 24.044 28.447 16.235 1.00 39.30 C ATOM 457 O SER A 55 24.079 28.071 15.060 1.00 38.72 O ATOM 458 CB SER A 55 22.539 27.405 17.971 1.00 40.47 C ATOM 459 OG SER A 55 23.604 27.344 18.905 1.00 45.45 O ATOM 460 N GLY A 56 25.132 28.779 16.942 1.00 40.65 N ATOM 461 CA GLY A 56 26.454 28.706 16.340 1.00 41.73 C ATOM 462 C GLY A 56 26.776 29.910 15.475 1.00 43.61 C ATOM 463 O GLY A 56 25.884 30.683 15.095 1.00 43.17 O ATOM 464 N HIS A 57 28.050 30.051 15.128 1.00 44.52 N ATOM 465 CA HIS A 57 28.508 31.186 14.335 1.00 46.70 C ATOM 466 C HIS A 57 27.992 31.380 12.894 1.00 47.89 C ATOM 467 O HIS A 57 27.211 32.293 12.636 1.00 48.77 O ATOM 468 CB HIS A 57 30.044 31.214 14.376 1.00 47.68 C ATOM 469 CG HIS A 57 30.598 31.491 15.751 1.00 48.70 C ATOM 470 ND1 HIS A 57 30.238 32.600 16.490 1.00 50.02 N ATOM 471 CD2 HIS A 57 31.494 30.818 16.515 1.00 49.57 C ATOM 472 CE1 HIS A 57 30.886 32.603 17.644 1.00 49.29 C ATOM 473 NE2 HIS A 57 31.658 31.532 17.684 1.00 49.06 N ATOM 474 N GLU A 58 28.407 30.532 11.960 1.00 48.43 N ATOM 475 CA GLU A 58 28.006 30.667 10.546 1.00 49.51 C ATOM 476 C GLU A 58 26.696 31.395 10.268 1.00 47.51 C ATOM 477 O GLU A 58 26.685 32.428 9.597 1.00 47.57 O ATOM 478 CB GLU A 58 27.935 29.279 9.866 1.00 53.53 C ATOM 479 CG GLU A 58 27.749 29.275 8.326 1.00 57.27 C ATOM 480 CD GLU A 58 27.470 27.853 7.752 1.00 61.51 C ATOM 481 OE1 GLU A 58 27.735 27.602 6.540 1.00 62.92 O ATOM 482 OE2 GLU A 58 26.965 26.988 8.516 1.00 62.95 O ATOM 483 N ASN A 59 25.601 30.862 10.802 1.00 46.26 N ATOM 484 CA ASN A 59 24.269 31.415 10.548 1.00 44.29 C ATOM 485 C ASN A 59 23.747 32.587 11.385 1.00 41.89 C ATOM 486 O ASN A 59 22.569 32.949 11.291 1.00 40.48 O ATOM 487 CB ASN A 59 23.236 30.266 10.566 1.00 45.31 C ATOM 488 N GLN A 60 24.598 33.204 12.190 1.00 39.25 N ATOM 489 CA GLN A 60 24.100 34.302 12.991 1.00 38.27 C ATOM 490 C GLN A 60 23.836 35.493 12.097 1.00 37.67 C ATOM 491 O GLN A 60 22.818 36.159 12.228 1.00 36.78 O ATOM 492 CB GLN A 60 25.090 34.660 14.096 1.00 39.16 C ATOM 493 CG GLN A 60 25.140 33.642 15.220 1.00 37.66 C ATOM 494 CD GLN A 60 23.781 33.387 15.832 1.00 37.70 C ATOM 495 OE1 GLN A 60 23.387 32.236 16.022 1.00 40.89 O ATOM 496 NE2 GLN A 60 23.059 34.449 16.149 1.00 36.81 N ATOM 497 N ALA A 61 24.742 35.729 11.155 1.00 36.51 N ATOM 498 CA ALA A 61 24.619 36.849 10.235 1.00 34.86 C ATOM 499 C ALA A 61 23.259 36.908 9.569 1.00 34.40 C ATOM 500 O ALA A 61 22.513 37.855 9.755 1.00 34.14 O ATOM 501 CB ALA A 61 25.708 36.770 9.201 1.00 34.81 C ATOM 502 N ILE A 62 22.922 35.896 8.792 1.00 36.02 N ATOM 503 CA ILE A 62 21.625 35.910 8.123 1.00 38.06 C ATOM 504 C ILE A 62 20.445 36.378 9.024 1.00 38.50 C ATOM 505 O ILE A 62 19.490 36.970 8.517 1.00 38.90 O ATOM 506 CB ILE A 62 21.300 34.506 7.497 1.00 39.34 C ATOM 507 CG1 ILE A 62 19.910 34.514 6.836 1.00 41.53 C ATOM 508 CG2 ILE A 62 21.363 33.431 8.557 1.00 38.00 C ATOM 509 CD1 ILE A 62 19.825 35.310 5.539 1.00 42.84 C ATOM 510 N THR A 63 20.507 36.129 10.339 1.00 39.01 N ATOM 511 CA THR A 63 19.426 36.549 11.239 1.00 40.01 C ATOM 512 C THR A 63 19.444 38.049 11.541 1.00 42.17 C ATOM 513 O THR A 63 18.393 38.701 11.642 1.00 42.74 O ATOM 514 CB THR A 63 19.466 35.841 12.620 1.00 39.29 C ATOM 515 OG1 THR A 63 18.296 36.218 13.354 1.00 39.57 O ATOM 516 CG2 THR A 63 20.661 36.298 13.459 1.00 39.44 C ATOM 517 N HIS A 64 20.636 38.601 11.731 1.00 43.61 N ATOM 518 CA HIS A 64 20.717 40.018 12.019 1.00 45.76 C ATOM 519 C HIS A 64 19.993 40.766 10.920 1.00 46.01 C ATOM 520 O HIS A 64 19.648 41.934 11.091 1.00 47.63 O ATOM 521 CB HIS A 64 22.180 40.468 12.124 1.00 47.58 C ATOM 522 CG HIS A 64 22.858 39.990 13.374 1.00 49.25 C ATOM 523 ND1 HIS A 64 23.797 38.979 13.377 1.00 50.13 N ATOM 524 CD2 HIS A 64 22.666 40.324 14.673 1.00 48.83 C ATOM 525 CE1 HIS A 64 24.148 38.707 14.622 1.00 49.62 C ATOM 526 NE2 HIS A 64 23.476 39.509 15.429 1.00 49.74 N ATOM 527 N SER A 65 19.749 40.069 9.806 1.00 45.53 N ATOM 528 CA SER A 65 19.060 40.632 8.647 1.00 44.83 C ATOM 529 C SER A 65 17.590 40.250 8.499 1.00 46.33 C ATOM 530 O SER A 65 16.974 40.630 7.494 1.00 47.47 O ATOM 531 CB SER A 65 19.785 40.258 7.352 1.00 44.08 C ATOM 532 OG SER A 65 20.982 40.989 7.191 1.00 42.34 O ATOM 533 N ILE A 66 17.020 39.518 9.466 1.00 46.70 N ATOM 534 CA ILE A 66 15.595 39.130 9.393 1.00 46.65 C ATOM 535 C ILE A 66 14.670 39.964 10.300 1.00 46.99 C ATOM 536 O ILE A 66 14.601 39.782 11.521 1.00 47.31 O ATOM 537 CB ILE A 66 15.402 37.627 9.677 1.00 46.18 C ATOM 538 CG1 ILE A 66 16.125 37.204 10.953 1.00 46.20 C ATOM 539 CG2 ILE A 66 15.946 36.839 8.521 1.00 47.37 C ATOM 540 CD1 ILE A 66 15.680 35.860 11.532 1.00 48.01 C ATOM 541 N THR A 67 13.969 40.895 9.658 1.00 46.05 N ATOM 542 CA THR A 67 13.065 41.824 10.319 1.00 43.80 C ATOM 543 C THR A 67 11.779 41.103 10.679 1.00 42.64 C ATOM 544 O THR A 67 11.610 39.928 10.350 1.00 43.73 O ATOM 545 CB THR A 67 12.745 43.017 9.370 1.00 44.74 C ATOM 546 OG1 THR A 67 13.821 43.208 8.439 1.00 42.42 O ATOM 547 CG2 THR A 67 12.580 44.298 10.163 1.00 46.15 C ATOM 548 N VAL A 68 10.886 41.771 11.397 1.00 41.27 N ATOM 549 CA VAL A 68 9.624 41.129 11.719 1.00 38.91 C ATOM 550 C VAL A 68 8.849 41.176 10.408 1.00 39.67 C ATOM 551 O VAL A 68 9.097 42.055 9.573 1.00 38.99 O ATOM 552 CB VAL A 68 8.858 41.887 12.823 1.00 37.82 C ATOM 553 CG1 VAL A 68 7.385 41.451 12.887 1.00 34.81 C ATOM 554 CG2 VAL A 68 9.550 41.640 14.143 1.00 37.20 C ATOM 555 N GLY A 69 7.933 40.230 10.211 1.00 39.70 N ATOM 556 CA GLY A 69 7.156 40.216 8.986 1.00 38.45 C ATOM 557 C GLY A 69 8.077 39.886 7.841 1.00 37.28 C ATOM 558 O GLY A 69 7.891 40.335 6.709 1.00 38.26 O ATOM 559 N SER A 70 9.113 39.125 8.143 1.00 35.04 N ATOM 560 CA SER A 70 10.033 38.737 7.093 1.00 34.87 C ATOM 561 C SER A 70 9.440 37.502 6.408 1.00 34.67 C ATOM 562 O SER A 70 8.715 36.742 7.037 1.00 34.99 O ATOM 563 CB SER A 70 11.396 38.408 7.688 1.00 34.50 C ATOM 564 OG SER A 70 12.274 39.501 7.562 1.00 36.48 O ATOM 565 N ARG A 71 9.701 37.319 5.121 1.00 34.79 N ATOM 566 CA ARG A 71 9.196 36.131 4.436 1.00 36.83 C ATOM 567 C ARG A 71 10.408 35.257 4.167 1.00 36.40 C ATOM 568 O ARG A 71 11.203 35.502 3.280 1.00 36.27 O ATOM 569 CB ARG A 71 8.461 36.483 3.147 1.00 38.02 C ATOM 570 CG ARG A 71 6.947 36.540 3.343 1.00 40.57 C ATOM 571 CD ARG A 71 6.249 37.097 2.115 1.00 44.00 C ATOM 572 NE ARG A 71 6.571 36.355 0.895 1.00 46.45 N ATOM 573 CZ ARG A 71 6.282 36.782 -0.333 1.00 49.02 C ATOM 574 NH1 ARG A 71 5.662 37.951 -0.503 1.00 50.49 N ATOM 575 NH2 ARG A 71 6.615 36.043 -1.388 1.00 49.05 N ATOM 576 N ILE A 72 10.542 34.219 4.969 1.00 36.00 N ATOM 577 CA ILE A 72 11.687 33.336 4.862 1.00 37.00 C ATOM 578 C ILE A 72 11.301 31.847 4.823 1.00 36.87 C ATOM 579 O ILE A 72 10.170 31.470 5.125 1.00 36.14 O ATOM 580 CB ILE A 72 12.603 33.623 6.088 1.00 37.27 C ATOM 581 CG1 ILE A 72 13.827 32.716 6.110 1.00 37.85 C ATOM 582 CG2 ILE A 72 11.821 33.416 7.372 1.00 35.86 C ATOM 583 CD1 ILE A 72 14.967 33.191 7.012 1.00 40.73 C ATOM 584 N THR A 73 12.251 31.019 4.415 1.00 36.08 N ATOM 585 CA THR A 73 12.057 29.581 4.411 1.00 36.02 C ATOM 586 C THR A 73 13.193 28.989 5.242 1.00 34.17 C ATOM 587 O THR A 73 14.360 29.136 4.896 1.00 32.43 O ATOM 588 CB THR A 73 12.107 29.004 3.001 1.00 36.02 C ATOM 589 OG1 THR A 73 12.132 27.574 3.077 1.00 39.24 O ATOM 590 CG2 THR A 73 13.346 29.483 2.274 1.00 35.40 C ATOM 591 N VAL A 74 12.873 28.327 6.344 1.00 33.06 N ATOM 592 CA VAL A 74 13.964 27.797 7.123 1.00 32.70 C ATOM 593 C VAL A 74 14.016 26.298 6.950 1.00 31.11 C ATOM 594 O VAL A 74 13.033 25.682 6.565 1.00 29.56 O ATOM 595 CB VAL A 74 13.886 28.241 8.611 1.00 33.00 C ATOM 596 CG1 VAL A 74 13.221 29.624 8.703 1.00 32.66 C ATOM 597 CG2 VAL A 74 13.143 27.235 9.435 1.00 34.85 C ATOM 598 N GLN A 75 15.171 25.721 7.253 1.00 30.71 N ATOM 599 CA GLN A 75 15.404 24.311 7.027 1.00 30.52 C ATOM 600 C GLN A 75 16.378 23.731 8.032 1.00 31.82 C ATOM 601 O GLN A 75 17.487 24.258 8.195 1.00 32.93 O ATOM 602 CB GLN A 75 15.977 24.215 5.621 1.00 29.67 C ATOM 603 CG GLN A 75 16.378 22.903 5.076 1.00 30.37 C ATOM 604 CD GLN A 75 16.554 23.034 3.568 1.00 31.40 C ATOM 605 OE1 GLN A 75 17.222 22.229 2.922 1.00 33.91 O ATOM 606 NE2 GLN A 75 15.941 24.068 2.999 1.00 31.11 N ATOM 607 N GLY A 76 15.974 22.645 8.695 1.00 31.04 N ATOM 608 CA GLY A 76 16.825 21.997 9.697 1.00 28.76 C ATOM 609 C GLY A 76 16.041 20.938 10.444 1.00 29.13 C ATOM 610 O GLY A 76 14.908 20.648 10.067 1.00 28.99 O ATOM 611 N PHE A 77 16.596 20.381 11.516 1.00 29.42 N ATOM 612 CA PHE A 77 15.876 19.324 12.243 1.00 29.03 C ATOM 613 C PHE A 77 14.868 19.803 13.271 1.00 29.38 C ATOM 614 O PHE A 77 14.932 20.934 13.724 1.00 30.12 O ATOM 615 CB PHE A 77 16.848 18.337 12.914 1.00 26.78 C ATOM 616 CG PHE A 77 17.760 18.964 13.924 1.00 23.54 C ATOM 617 CD1 PHE A 77 19.012 19.446 13.546 1.00 21.80 C ATOM 618 CD2 PHE A 77 17.387 19.038 15.273 1.00 23.45 C ATOM 619 CE1 PHE A 77 19.893 19.986 14.501 1.00 20.61 C ATOM 620 CE2 PHE A 77 18.252 19.575 16.233 1.00 19.57 C ATOM 621 CZ PHE A 77 19.513 20.050 15.844 1.00 20.17 C ATOM 622 N ILE A 78 13.925 18.930 13.619 1.00 30.68 N ATOM 623 CA ILE A 78 12.881 19.236 14.599 1.00 31.52 C ATOM 624 C ILE A 78 13.183 18.545 15.920 1.00 33.14 C ATOM 625 O ILE A 78 13.728 17.443 15.941 1.00 32.23 O ATOM 626 CB ILE A 78 11.484 18.752 14.130 1.00 31.52 C ATOM 627 CG1 ILE A 78 10.437 19.806 14.449 1.00 31.18 C ATOM 628 CG2 ILE A 78 11.047 17.491 14.889 1.00 32.70 C ATOM 629 CD1 ILE A 78 10.465 21.033 13.541 1.00 35.60 C ATOM 630 N SER A 79 12.796 19.173 17.022 1.00 35.36 N ATOM 631 CA SER A 79 13.042 18.587 18.327 1.00 37.76 C ATOM 632 C SER A 79 11.987 19.069 19.308 1.00 38.65 C ATOM 633 O SER A 79 11.566 20.223 19.243 1.00 38.59 O ATOM 634 CB SER A 79 14.426 18.980 18.814 1.00 37.67 C ATOM 635 OG SER A 79 14.423 20.315 19.243 1.00 39.19 O ATOM 636 N CYS A 80 11.566 18.216 20.239 1.00 40.18 N ATOM 637 CA CYS A 80 10.532 18.670 21.157 1.00 41.52 C ATOM 638 C CYS A 80 10.465 18.074 22.560 1.00 42.94 C ATOM 639 O CYS A 80 11.483 17.648 23.078 1.00 42.54 O ATOM 640 CB CYS A 80 9.171 18.557 20.472 1.00 40.86 C ATOM 641 SG CYS A 80 8.468 16.893 20.217 1.00 39.32 S ATOM 642 N HIS A 81 9.281 18.109 23.192 1.00 45.76 N ATOM 643 CA HIS A 81 9.059 17.569 24.559 1.00 48.72 C ATOM 644 C HIS A 81 7.946 18.272 25.352 1.00 49.83 C ATOM 645 O HIS A 81 7.843 19.499 25.326 1.00 49.68 O ATOM 646 CB HIS A 81 10.362 17.612 25.388 1.00 48.21 C ATOM 647 N LYS A 82 7.124 17.491 26.057 1.00 51.80 N ATOM 648 CA LYS A 82 6.040 18.053 26.869 1.00 54.21 C ATOM 649 C LYS A 82 5.556 17.106 27.983 1.00 56.28 C ATOM 650 O LYS A 82 4.353 16.811 28.104 1.00 56.41 O ATOM 651 CB LYS A 82 4.858 18.458 25.981 1.00 54.02 C ATOM 652 CG LYS A 82 5.197 19.481 24.903 1.00 54.96 C ATOM 653 CD LYS A 82 5.042 20.914 25.367 1.00 54.42 C ATOM 654 CE LYS A 82 3.584 21.259 25.550 1.00 53.87 C ATOM 655 NZ LYS A 82 2.795 20.973 24.322 1.00 53.01 N ATOM 656 N ALA A 83 6.512 16.635 28.786 1.00 58.17 N ATOM 657 CA ALA A 83 6.239 15.761 29.918 1.00 59.78 C ATOM 658 C ALA A 83 5.556 16.622 30.978 1.00 61.16 C ATOM 659 O ALA A 83 5.932 17.776 31.164 1.00 61.26 O ATOM 660 CB ALA A 83 7.539 15.203 30.454 1.00 59.83 C ATOM 661 N LYS A 84 4.564 16.070 31.671 1.00 62.88 N ATOM 662 CA LYS A 84 3.832 16.832 32.683 1.00 65.10 C ATOM 663 C LYS A 84 4.632 17.272 33.905 1.00 65.88 C ATOM 664 O LYS A 84 4.065 17.496 34.969 1.00 66.58 O ATOM 665 CB LYS A 84 2.590 16.054 33.134 1.00 65.99 C ATOM 666 CG LYS A 84 1.510 15.989 32.077 1.00 68.03 C ATOM 667 CD LYS A 84 0.927 17.372 31.799 1.00 67.98 C ATOM 668 CE LYS A 84 0.454 17.493 30.358 1.00 69.00 C ATOM 669 NZ LYS A 84 -0.436 16.372 29.942 1.00 68.46 N ATOM 670 N ASN A 85 5.902 17.340 33.767 1.00 66.12 N ATOM 671 CA ASN A 85 6.853 17.829 34.757 1.00 65.33 C ATOM 672 C ASN A 85 7.852 18.793 34.127 1.00 64.33 C ATOM 673 O ASN A 85 9.027 18.618 34.203 1.00 63.31 O ATOM 674 CB ASN A 85 7.322 16.681 35.654 1.00 66.34 C ATOM 675 CG ASN A 85 7.611 17.130 37.073 1.00 67.08 C ATOM 676 OD1 ASN A 85 8.768 17.272 37.468 1.00 67.05 O ATOM 677 ND2 ASN A 85 6.557 17.353 37.849 1.00 67.16 N ATOM 678 N GLY A 86 7.234 19.706 33.346 1.00 63.83 N ATOM 679 CA GLY A 86 8.017 20.655 32.575 1.00 62.77 C ATOM 680 C GLY A 86 7.716 20.475 31.088 1.00 62.07 C ATOM 681 O GLY A 86 8.528 19.904 30.357 1.00 62.54 O ATOM 682 N LEU A 87 6.556 20.947 30.638 1.00 61.08 N ATOM 683 CA LEU A 87 6.182 20.838 29.232 1.00 60.72 C ATOM 684 C LEU A 87 6.864 21.971 28.482 1.00 60.30 C ATOM 685 O LEU A 87 6.439 23.126 28.581 1.00 62.72 O ATOM 686 CB LEU A 87 4.673 21.016 29.044 1.00 60.81 C ATOM 687 CG LEU A 87 3.738 20.772 30.204 1.00 60.20 C ATOM 688 CD1 LEU A 87 2.472 21.574 29.977 1.00 60.05 C ATOM 689 CD2 LEU A 87 3.458 19.295 30.332 1.00 60.71 C ATOM 690 N SER A 88 7.900 21.660 27.718 1.00 58.46 N ATOM 691 CA SER A 88 8.612 22.679 26.960 1.00 57.86 C ATOM 692 C SER A 88 7.923 22.994 25.654 1.00 56.69 C ATOM 693 O SER A 88 6.885 23.651 25.677 1.00 56.40 O ATOM 694 CB SER A 88 10.036 22.226 26.730 1.00 58.56 C ATOM 695 OG SER A 88 10.763 22.259 27.964 1.00 60.61 O ATOM 696 N LYS A 89 8.464 22.540 24.523 1.00 54.49 N ATOM 697 CA LYS A 89 7.804 22.831 23.259 1.00 52.30 C ATOM 698 C LYS A 89 8.545 22.324 22.020 1.00 49.91 C ATOM 699 O LYS A 89 9.714 21.952 22.089 1.00 50.43 O ATOM 700 CB LYS A 89 7.588 24.345 23.135 1.00 53.01 C ATOM 701 CG LYS A 89 6.102 24.803 23.103 1.00 55.68 C ATOM 702 CD LYS A 89 5.620 25.471 24.416 1.00 56.39 C ATOM 703 CE LYS A 89 6.422 26.733 24.743 1.00 58.34 C ATOM 704 NZ LYS A 89 6.550 27.020 26.225 1.00 59.99 N ATOM 705 N MET A 90 7.848 22.316 20.885 1.00 46.53 N ATOM 706 CA MET A 90 8.412 21.870 19.615 1.00 43.20 C ATOM 707 C MET A 90 9.244 23.016 19.039 1.00 41.12 C ATOM 708 O MET A 90 8.845 24.176 19.061 1.00 40.22 O ATOM 709 CB MET A 90 7.309 21.503 18.678 1.00 44.33 C ATOM 710 N VAL A 91 10.409 22.676 18.513 1.00 38.32 N ATOM 711 CA VAL A 91 11.324 23.670 17.972 1.00 34.48 C ATOM 712 C VAL A 91 12.157 23.182 16.785 1.00 32.19 C ATOM 713 O VAL A 91 12.750 22.118 16.812 1.00 31.07 O ATOM 714 CB VAL A 91 12.289 24.178 19.091 1.00 34.04 C ATOM 715 CG1 VAL A 91 12.885 22.993 19.864 1.00 33.71 C ATOM 716 CG2 VAL A 91 13.412 25.030 18.477 1.00 33.37 C ATOM 717 N LEU A 92 12.204 24.000 15.748 1.00 28.89 N ATOM 718 CA LEU A 92 12.956 23.690 14.551 1.00 27.11 C ATOM 719 C LEU A 92 14.381 24.226 14.607 1.00 28.30 C ATOM 720 O LEU A 92 14.618 25.389 14.326 1.00 29.33 O ATOM 721 CB LEU A 92 12.239 24.287 13.344 1.00 25.19 C ATOM 722 CG LEU A 92 12.987 24.449 12.009 1.00 24.39 C ATOM 723 CD1 LEU A 92 13.615 23.158 11.547 1.00 23.53 C ATOM 724 CD2 LEU A 92 12.009 24.947 10.955 1.00 22.84 C ATOM 725 N HIS A 93 15.343 23.397 14.969 1.00 27.36 N ATOM 726 CA HIS A 93 16.699 23.893 14.994 1.00 26.72 C ATOM 727 C HIS A 93 17.048 24.060 13.541 1.00 26.95 C ATOM 728 O HIS A 93 16.973 23.111 12.780 1.00 28.70 O ATOM 729 CB HIS A 93 17.599 22.903 15.701 1.00 26.07 C ATOM 730 CG HIS A 93 17.251 22.750 17.141 1.00 25.54 C ATOM 731 ND1 HIS A 93 18.014 23.302 18.151 1.00 25.86 N ATOM 732 CD2 HIS A 93 16.158 22.219 17.736 1.00 23.91 C ATOM 733 CE1 HIS A 93 17.401 23.121 19.305 1.00 22.72 C ATOM 734 NE2 HIS A 93 16.270 22.470 19.079 1.00 23.99 N ATOM 735 N ALA A 94 17.422 25.283 13.169 1.00 26.26 N ATOM 736 CA ALA A 94 17.733 25.622 11.791 1.00 24.27 C ATOM 737 C ALA A 94 19.180 25.498 11.411 1.00 22.77 C ATOM 738 O ALA A 94 20.044 25.866 12.171 1.00 23.22 O ATOM 739 CB ALA A 94 17.255 27.024 11.519 1.00 25.21 C ATOM 740 N GLU A 95 19.453 24.973 10.228 1.00 23.30 N ATOM 741 CA GLU A 95 20.838 24.884 9.789 1.00 23.73 C ATOM 742 C GLU A 95 20.968 25.778 8.552 1.00 23.82 C ATOM 743 O GLU A 95 22.068 26.261 8.229 1.00 23.07 O ATOM 744 CB GLU A 95 21.268 23.422 9.438 1.00 24.88 C ATOM 745 CG GLU A 95 20.529 22.739 8.253 1.00 25.91 C ATOM 746 CD GLU A 95 21.382 21.700 7.489 1.00 26.66 C ATOM 747 OE1 GLU A 95 22.244 21.028 8.105 1.00 27.38 O ATOM 748 OE2 GLU A 95 21.173 21.538 6.268 1.00 23.21 O ATOM 749 N GLN A 96 19.834 26.041 7.899 1.00 23.21 N ATOM 750 CA GLN A 96 19.845 26.829 6.675 1.00 25.42 C ATOM 751 C GLN A 96 18.617 27.727 6.457 1.00 26.28 C ATOM 752 O GLN A 96 17.492 27.308 6.726 1.00 27.73 O ATOM 753 CB GLN A 96 20.071 25.857 5.493 1.00 24.45 C ATOM 754 CG GLN A 96 19.235 26.056 4.254 1.00 26.10 C ATOM 755 CD GLN A 96 19.978 25.633 2.974 1.00 28.15 C ATOM 756 OE1 GLN A 96 20.991 26.263 2.582 1.00 29.22 O ATOM 757 NE2 GLN A 96 19.486 24.567 2.319 1.00 26.53 N ATOM 758 N ILE A 97 18.864 28.965 6.002 1.00 25.16 N ATOM 759 CA ILE A 97 17.826 29.965 5.714 1.00 26.58 C ATOM 760 C ILE A 97 18.181 30.913 4.556 1.00 28.59 C ATOM 761 O ILE A 97 19.294 31.462 4.462 1.00 27.11 O ATOM 762 CB ILE A 97 17.530 30.802 6.938 1.00 26.61 C ATOM 763 N GLU A 98 17.206 31.094 3.677 1.00 29.51 N ATOM 764 CA GLU A 98 17.330 31.981 2.550 1.00 30.94 C ATOM 765 C GLU A 98 16.059 32.817 2.636 1.00 31.45 C ATOM 766 O GLU A 98 15.033 32.335 3.110 1.00 29.78 O ATOM 767 CB GLU A 98 17.426 31.174 1.256 1.00 32.78 C ATOM 768 CG GLU A 98 16.807 29.756 1.303 1.00 32.79 C ATOM 769 CD GLU A 98 17.645 28.713 0.549 1.00 34.44 C ATOM 770 OE1 GLU A 98 18.708 28.313 1.066 1.00 35.30 O ATOM 771 OE2 GLU A 98 17.248 28.299 -0.565 1.00 32.46 O ATOM 772 N LEU A 99 16.138 34.082 2.229 1.00 33.17 N ATOM 773 CA LEU A 99 14.993 35.001 2.294 1.00 34.01 C ATOM 774 C LEU A 99 14.112 34.824 1.064 1.00 34.67 C ATOM 775 O LEU A 99 14.638 34.562 -0.006 1.00 36.41 O ATOM 776 CB LEU A 99 15.526 36.430 2.413 1.00 34.06 C ATOM 777 CG LEU A 99 16.605 36.543 3.502 1.00 34.00 C ATOM 778 CD1 LEU A 99 17.212 37.933 3.491 1.00 34.23 C ATOM 779 CD2 LEU A 99 15.998 36.204 4.867 1.00 32.90 C ATOM 780 N ILE A 100 12.796 34.991 1.199 1.00 35.11 N ATOM 781 CA ILE A 100 11.890 34.760 0.070 1.00 35.22 C ATOM 782 C ILE A 100 11.200 35.908 -0.677 1.00 35.81 C ATOM 783 O ILE A 100 10.403 35.669 -1.580 1.00 36.27 O ATOM 784 CB ILE A 100 10.853 33.713 0.481 1.00 33.98 C ATOM 785 N ASP A 101 11.464 37.151 -0.306 1.00 38.35 N ATOM 786 CA ASP A 101 10.880 38.292 -1.053 1.00 39.98 C ATOM 787 C ASP A 101 12.008 38.733 -1.990 1.00 40.41 C ATOM 788 O ASP A 101 13.104 39.030 -1.510 1.00 40.35 O ATOM 789 CB ASP A 101 10.510 39.444 -0.116 1.00 39.60 C ATOM 790 N SER A 102 11.778 38.750 -3.305 1.00 41.23 N ATOM 791 CA SER A 102 12.842 39.135 -4.252 1.00 41.53 C ATOM 792 C SER A 102 13.172 40.651 -4.246 1.00 42.24 C ATOM 793 O SER A 102 12.292 41.493 -4.041 1.00 41.52 O ATOM 794 CB SER A 102 12.458 38.681 -5.673 1.00 42.17 C ATOM 795 OG SER A 102 13.535 38.796 -6.596 1.00 42.15 O ATOM 796 N VAL A 103 14.446 40.991 -4.457 1.00 42.44 N ATOM 797 CA VAL A 103 14.847 42.399 -4.485 1.00 43.14 C ATOM 798 C VAL A 103 13.965 43.218 -5.451 1.00 43.37 C ATOM 799 O VAL A 103 13.396 44.233 -5.060 1.00 43.04 O ATOM 800 CB VAL A 103 16.375 42.592 -4.861 1.00 42.69 C ATOM 801 CG1 VAL A 103 17.061 41.262 -5.016 1.00 41.23 C ATOM 802 CG2 VAL A 103 16.523 43.428 -6.139 1.00 43.55 C ATOM 803 N ASP A 104 13.824 42.770 -6.694 1.00 43.70 N ATOM 804 CA ASP A 104 13.009 43.507 -7.648 1.00 44.67 C ATOM 805 C ASP A 104 11.635 43.695 -7.047 1.00 44.94 C ATOM 806 O ASP A 104 10.902 44.604 -7.420 1.00 44.59 O ATOM 807 CB ASP A 104 12.837 42.737 -8.968 1.00 45.26 C ATOM 808 CG ASP A 104 13.992 41.791 -9.265 1.00 47.78 C ATOM 809 OD1 ASP A 104 14.624 41.937 -10.336 1.00 46.85 O ATOM 810 OD2 ASP A 104 14.261 40.890 -8.429 1.00 50.49 O ATOM 811 N LYS A 105 11.271 42.828 -6.115 1.00 45.15 N ATOM 812 CA LYS A 105 9.943 42.930 -5.530 1.00 45.33 C ATOM 813 C LYS A 105 9.780 44.072 -4.531 1.00 45.00 C ATOM 814 O LYS A 105 8.947 44.958 -4.713 1.00 45.02 O ATOM 815 CB LYS A 105 9.569 41.606 -4.865 1.00 44.31 C ATOM 816 CG LYS A 105 8.128 41.202 -5.068 1.00 43.84 C ATOM 817 CD LYS A 105 7.215 41.669 -3.955 1.00 44.36 C ATOM 818 CE LYS A 105 6.280 42.772 -4.408 1.00 44.03 C ATOM 819 NZ LYS A 105 6.949 44.102 -4.478 1.00 44.02 N ATOM 820 N LEU A 106 10.579 44.026 -3.471 1.00 44.57 N ATOM 821 CA LEU A 106 10.554 45.013 -2.405 1.00 44.50 C ATOM 822 C LEU A 106 10.854 46.416 -2.923 1.00 45.12 C ATOM 823 O LEU A 106 10.196 47.384 -2.537 1.00 45.59 O ATOM 824 CB LEU A 106 11.557 44.614 -1.338 1.00 44.75 C ATOM 825 N ALA A 107 11.865 46.515 -3.786 1.00 45.23 N ATOM 826 CA ALA A 107 12.271 47.784 -4.402 1.00 44.78 C ATOM 827 C ALA A 107 11.062 48.458 -5.045 1.00 44.09 C ATOM 828 O ALA A 107 10.929 49.685 -5.038 1.00 45.07 O ATOM 829 CB ALA A 107 13.353 47.538 -5.459 1.00 44.41 C ATOM 830 N ALA A 108 10.178 47.653 -5.604 1.00 43.56 N ATOM 831 CA ALA A 108 8.993 48.199 -6.212 1.00 45.04 C ATOM 832 C ALA A 108 8.275 49.097 -5.217 1.00 45.40 C ATOM 833 O ALA A 108 7.910 50.226 -5.546 1.00 45.00 O ATOM 834 CB ALA A 108 8.064 47.066 -6.658 1.00 45.29 C ATOM 835 N ALA A 109 8.095 48.586 -3.999 1.00 47.24 N ATOM 836 CA ALA A 109 7.374 49.303 -2.935 1.00 49.14 C ATOM 837 C ALA A 109 8.142 50.367 -2.178 1.00 50.22 C ATOM 838 O ALA A 109 7.683 50.857 -1.145 1.00 50.81 O ATOM 839 CB ALA A 109 6.790 48.309 -1.937 1.00 48.66 C ATOM 840 N LEU A 110 9.302 50.736 -2.692 1.00 51.00 N ATOM 841 CA LEU A 110 10.098 51.750 -2.029 1.00 52.64 C ATOM 842 C LEU A 110 10.273 52.982 -2.942 1.00 54.89 C ATOM 843 O LEU A 110 10.325 54.119 -2.464 1.00 55.25 O ATOM 844 CB LEU A 110 11.447 51.128 -1.630 1.00 49.81 C ATOM 845 CG LEU A 110 12.398 51.742 -0.602 1.00 47.40 C ATOM 846 CD1 LEU A 110 11.819 51.736 0.787 1.00 44.57 C ATOM 847 CD2 LEU A 110 13.675 50.930 -0.626 1.00 47.01 C ATOM 848 N GLU A 111 10.286 52.764 -4.255 1.00 57.12 N ATOM 849 CA GLU A 111 10.474 53.858 -5.211 1.00 59.78 C ATOM 850 C GLU A 111 9.241 54.360 -5.981 1.00 60.67 C ATOM 851 O GLU A 111 9.288 55.447 -6.569 1.00 62.17 O ATOM 852 CB GLU A 111 11.526 53.434 -6.234 1.00 60.76 C ATOM 853 CG GLU A 111 11.103 52.215 -7.002 1.00 63.26 C ATOM 854 CD GLU A 111 12.175 51.717 -7.931 1.00 65.02 C ATOM 855 OE1 GLU A 111 12.200 50.486 -8.180 1.00 65.34 O ATOM 856 OE2 GLU A 111 12.981 52.549 -8.410 1.00 65.88 O ATOM 857 N HIS A 112 8.150 53.593 -5.974 1.00 61.05 N ATOM 858 CA HIS A 112 6.940 53.943 -6.739 1.00 61.61 C ATOM 859 C HIS A 112 6.045 55.129 -6.349 1.00 61.53 C ATOM 860 O HIS A 112 5.629 55.912 -7.200 1.00 61.00 O ATOM 861 CB HIS A 112 6.061 52.689 -6.893 1.00 62.01 C ATOM 862 N HIS A 113 5.744 55.262 -5.072 1.00 62.17 N ATOM 863 CA HIS A 113 4.861 56.324 -4.612 1.00 62.60 C ATOM 864 C HIS A 113 5.202 57.747 -5.082 1.00 62.21 C ATOM 865 O HIS A 113 4.300 58.537 -5.384 1.00 61.61 O ATOM 866 CB HIS A 113 4.770 56.289 -3.077 1.00 64.45 C ATOM 867 CG HIS A 113 6.075 56.546 -2.381 1.00 66.77 C ATOM 868 ND1 HIS A 113 6.876 57.627 -2.690 1.00 67.34 N ATOM 869 CD2 HIS A 113 6.712 55.884 -1.383 1.00 67.85 C ATOM 870 CE1 HIS A 113 7.945 57.619 -1.916 1.00 67.29 C ATOM 871 NE2 HIS A 113 7.872 56.571 -1.112 1.00 67.61 N ATOM 872 N HIS A 114 6.497 58.053 -5.197 1.00 61.13 N ATOM 873 CA HIS A 114 6.993 59.395 -5.594 1.00 59.56 C ATOM 874 C HIS A 114 6.425 60.186 -6.784 1.00 58.70 C ATOM 875 O HIS A 114 5.278 60.653 -6.727 1.00 57.90 O ATOM 876 CB HIS A 114 8.544 59.358 -5.690 1.00 59.42 C ATOM 877 N HIS A 115 7.231 60.304 -7.846 1.00 58.40 N ATOM 878 CA HIS A 115 6.937 61.067 -9.077 1.00 57.68 C ATOM 879 C HIS A 115 5.684 60.800 -9.923 1.00 57.35 C ATOM 880 O HIS A 115 5.701 61.076 -11.144 1.00 56.77 O ATOM 881 CB HIS A 115 8.188 61.009 -10.008 1.00 56.87 C ATOM 882 N HIS A 116 4.685 60.330 -9.359 1.00 58.12 N TER 883 HIS A 116 ATOM 884 N PRO B -4 0.193 23.985 -6.401 1.00 52.08 N ATOM 885 CA PRO B -4 0.528 24.919 -5.309 1.00 52.59 C ATOM 886 C PRO B -4 2.018 25.129 -5.085 1.00 53.70 C ATOM 887 O PRO B -4 2.651 24.433 -4.281 1.00 54.34 O ATOM 888 CB PRO B -4 -0.163 24.383 -4.080 1.00 52.16 C ATOM 889 CG PRO B -4 -1.436 23.868 -4.706 1.00 52.20 C ATOM 890 CD PRO B -4 -0.912 23.118 -5.962 1.00 52.33 C ATOM 891 N ASN B -3 2.557 26.118 -5.800 1.00 53.86 N ATOM 892 CA ASN B -3 3.970 26.467 -5.744 1.00 55.38 C ATOM 893 C ASN B -3 4.412 27.414 -4.590 1.00 55.83 C ATOM 894 O ASN B -3 4.505 27.011 -3.417 1.00 55.49 O ATOM 895 CB ASN B -3 4.368 27.070 -7.105 1.00 57.34 C ATOM 896 CG ASN B -3 3.916 26.212 -8.290 1.00 59.10 C ATOM 897 OD1 ASN B -3 4.258 25.027 -8.382 1.00 60.12 O ATOM 898 ND2 ASN B -3 3.155 26.814 -9.207 1.00 58.81 N ATOM 899 N SER B -2 4.719 28.657 -4.977 1.00 55.94 N ATOM 900 CA SER B -2 5.160 29.774 -4.125 1.00 55.35 C ATOM 901 C SER B -2 6.034 29.575 -2.872 1.00 54.54 C ATOM 902 O SER B -2 6.576 28.510 -2.601 1.00 55.07 O ATOM 903 CB SER B -2 3.945 30.622 -3.762 1.00 55.61 C ATOM 904 N LEU B -1 6.175 30.661 -2.128 1.00 53.29 N ATOM 905 CA LEU B -1 6.956 30.691 -0.909 1.00 52.01 C ATOM 906 C LEU B -1 6.580 29.554 0.026 1.00 50.77 C ATOM 907 O LEU B -1 7.435 28.780 0.465 1.00 51.34 O ATOM 908 CB LEU B -1 6.739 32.027 -0.208 1.00 52.00 C ATOM 909 N MET B 1 5.287 29.482 0.325 1.00 47.83 N ATOM 910 CA MET B 1 4.670 28.492 1.214 1.00 44.45 C ATOM 911 C MET B 1 5.011 27.020 1.001 1.00 42.20 C ATOM 912 O MET B 1 4.354 26.347 0.216 1.00 44.38 O ATOM 913 CB MET B 1 3.157 28.607 1.105 1.00 44.48 C ATOM 914 CG MET B 1 2.713 28.439 -0.326 1.00 42.17 C ATOM 915 SD MET B 1 1.007 28.111 -0.376 1.00 40.28 S ATOM 916 CE MET B 1 0.337 29.583 0.300 1.00 40.68 C ATOM 917 N THR B 2 5.999 26.492 1.708 1.00 38.39 N ATOM 918 CA THR B 2 6.334 25.092 1.543 1.00 35.71 C ATOM 919 C THR B 2 6.461 24.443 2.932 1.00 34.27 C ATOM 920 O THR B 2 7.171 24.953 3.798 1.00 33.82 O ATOM 921 CB THR B 2 7.627 24.933 0.709 1.00 34.91 C ATOM 922 OG1 THR B 2 8.623 24.247 1.474 1.00 35.62 O ATOM 923 CG2 THR B 2 8.171 26.293 0.280 1.00 35.85 C ATOM 924 N ASN B 3 5.735 23.333 3.127 1.00 33.05 N ATOM 925 CA ASN B 3 5.690 22.586 4.393 1.00 32.57 C ATOM 926 C ASN B 3 5.920 21.089 4.161 1.00 32.06 C ATOM 927 O ASN B 3 4.995 20.352 3.783 1.00 32.11 O ATOM 928 CB ASN B 3 4.318 22.789 5.096 1.00 31.74 C ATOM 929 N ARG B 4 7.148 20.643 4.416 1.00 31.47 N ATOM 930 CA ARG B 4 7.514 19.249 4.259 1.00 31.54 C ATOM 931 C ARG B 4 8.323 18.771 5.435 1.00 30.03 C ATOM 932 O ARG B 4 9.406 19.286 5.692 1.00 31.13 O ATOM 933 CB ARG B 4 8.355 19.043 2.998 1.00 33.93 C ATOM 934 CG ARG B 4 7.621 19.300 1.701 1.00 38.25 C ATOM 935 CD ARG B 4 6.933 18.050 1.148 1.00 39.73 C ATOM 936 NE ARG B 4 5.686 18.388 0.456 1.00 40.95 N ATOM 937 CZ ARG B 4 4.505 18.496 1.059 1.00 42.08 C ATOM 938 NH1 ARG B 4 4.418 18.286 2.362 1.00 42.28 N ATOM 939 NH2 ARG B 4 3.421 18.825 0.367 1.00 41.97 N ATOM 940 N LEU B 5 7.786 17.804 6.170 1.00 27.80 N ATOM 941 CA LEU B 5 8.537 17.201 7.272 1.00 25.50 C ATOM 942 C LEU B 5 8.798 15.748 6.850 1.00 24.58 C ATOM 943 O LEU B 5 7.916 15.101 6.258 1.00 22.65 O ATOM 944 CB LEU B 5 7.743 17.189 8.587 1.00 21.53 C ATOM 945 CG LEU B 5 8.437 16.499 9.778 1.00 16.84 C ATOM 946 CD1 LEU B 5 8.258 15.017 9.693 1.00 15.96 C ATOM 947 CD2 LEU B 5 9.907 16.814 9.806 1.00 13.64 C ATOM 948 N VAL B 6 10.011 15.256 7.100 1.00 23.52 N ATOM 949 CA VAL B 6 10.320 13.858 6.810 1.00 24.70 C ATOM 950 C VAL B 6 10.890 13.215 8.064 1.00 23.74 C ATOM 951 O VAL B 6 12.100 13.212 8.288 1.00 23.23 O ATOM 952 CB VAL B 6 11.322 13.691 5.704 1.00 25.64 C ATOM 953 CG1 VAL B 6 11.160 12.301 5.084 1.00 27.49 C ATOM 954 CG2 VAL B 6 11.106 14.753 4.686 1.00 27.60 C ATOM 955 N LEU B 7 10.004 12.653 8.870 1.00 23.60 N ATOM 956 CA LEU B 7 10.395 12.021 10.122 1.00 23.51 C ATOM 957 C LEU B 7 10.526 10.476 10.088 1.00 23.44 C ATOM 958 O LEU B 7 9.861 9.791 9.310 1.00 24.12 O ATOM 959 CB LEU B 7 9.377 12.429 11.198 1.00 20.11 C ATOM 960 CG LEU B 7 9.872 12.369 12.628 1.00 15.63 C ATOM 961 CD1 LEU B 7 11.195 13.103 12.776 1.00 12.42 C ATOM 962 CD2 LEU B 7 8.826 12.975 13.508 1.00 15.31 C ATOM 963 N SER B 8 11.387 9.943 10.945 1.00 24.42 N ATOM 964 CA SER B 8 11.595 8.509 11.049 1.00 24.19 C ATOM 965 C SER B 8 11.578 8.206 12.526 1.00 24.68 C ATOM 966 O SER B 8 11.748 9.094 13.334 1.00 23.74 O ATOM 967 CB SER B 8 12.951 8.122 10.535 1.00 23.41 C ATOM 968 OG SER B 8 13.850 8.247 11.612 1.00 21.18 O ATOM 969 N GLY B 9 11.405 6.933 12.866 1.00 28.26 N ATOM 970 CA GLY B 9 11.375 6.504 14.257 1.00 27.98 C ATOM 971 C GLY B 9 10.552 5.248 14.495 1.00 28.61 C ATOM 972 O GLY B 9 10.152 4.569 13.541 1.00 27.77 O ATOM 973 N THR B 10 10.278 4.960 15.772 1.00 29.16 N ATOM 974 CA THR B 10 9.517 3.773 16.164 1.00 30.74 C ATOM 975 C THR B 10 8.111 4.101 16.622 1.00 32.57 C ATOM 976 O THR B 10 7.927 4.803 17.606 1.00 33.08 O ATOM 977 CB THR B 10 10.224 3.023 17.312 1.00 29.96 C ATOM 978 OG1 THR B 10 11.497 2.526 16.859 1.00 30.20 O ATOM 979 CG2 THR B 10 9.348 1.877 17.822 1.00 27.62 C ATOM 980 N VAL B 11 7.110 3.569 15.931 1.00 34.45 N ATOM 981 CA VAL B 11 5.732 3.864 16.301 1.00 36.69 C ATOM 982 C VAL B 11 5.428 3.527 17.754 1.00 40.18 C ATOM 983 O VAL B 11 5.410 2.358 18.174 1.00 41.07 O ATOM 984 CB VAL B 11 4.746 3.153 15.379 1.00 35.20 C ATOM 985 CG1 VAL B 11 3.345 3.297 15.919 1.00 36.33 C ATOM 986 CG2 VAL B 11 4.828 3.759 13.993 1.00 35.60 C ATOM 987 N CYS B 12 5.213 4.586 18.519 1.00 43.07 N ATOM 988 CA CYS B 12 4.908 4.499 19.938 1.00 44.77 C ATOM 989 C CYS B 12 3.520 3.913 20.207 1.00 45.92 C ATOM 990 O CYS B 12 3.388 2.728 20.482 1.00 46.23 O ATOM 991 CB CYS B 12 5.050 5.908 20.551 1.00 44.92 C ATOM 992 SG CYS B 12 4.174 6.231 22.101 1.00 45.75 S ATOM 993 N ARG B 13 2.484 4.737 20.097 1.00 47.62 N ATOM 994 CA ARG B 13 1.117 4.295 20.360 1.00 48.30 C ATOM 995 C ARG B 13 0.350 3.862 19.107 1.00 48.57 C ATOM 996 O ARG B 13 0.867 3.916 17.989 1.00 48.57 O ATOM 997 CB ARG B 13 0.347 5.441 21.044 1.00 49.03 C ATOM 998 CG ARG B 13 -0.429 6.321 20.054 1.00 51.23 C ATOM 999 CD ARG B 13 -0.968 7.639 20.634 1.00 52.64 C ATOM 1000 NE ARG B 13 -1.881 7.496 21.773 1.00 55.01 N ATOM 1001 CZ ARG B 13 -2.678 8.472 22.218 1.00 55.59 C ATOM 1002 NH1 ARG B 13 -3.475 8.273 23.266 1.00 55.32 N ATOM 1003 NH2 ARG B 13 -2.691 9.650 21.603 1.00 56.20 N ATOM 1004 N ALA B 14 -0.894 3.441 19.321 1.00 49.11 N ATOM 1005 CA ALA B 14 -1.803 3.039 18.254 1.00 49.29 C ATOM 1006 C ALA B 14 -1.256 1.980 17.270 1.00 50.40 C ATOM 1007 O ALA B 14 -0.514 1.075 17.690 1.00 51.74 O ATOM 1008 CB ALA B 14 -2.276 4.289 17.544 1.00 49.49 C ATOM 1009 N PRO B 15 -1.575 2.081 15.948 1.00 50.63 N ATOM 1010 CA PRO B 15 -2.385 3.043 15.197 1.00 49.94 C ATOM 1011 C PRO B 15 -3.880 2.799 15.254 1.00 50.00 C ATOM 1012 O PRO B 15 -4.336 1.672 15.073 1.00 50.53 O ATOM 1013 CB PRO B 15 -1.873 2.862 13.787 1.00 50.15 C ATOM 1014 CG PRO B 15 -1.822 1.374 13.720 1.00 50.87 C ATOM 1015 CD PRO B 15 -1.098 1.034 15.021 1.00 51.04 C ATOM 1016 N LEU B 16 -4.633 3.872 15.473 1.00 50.22 N ATOM 1017 CA LEU B 16 -6.085 3.816 15.530 1.00 50.67 C ATOM 1018 C LEU B 16 -6.595 4.125 14.121 1.00 51.22 C ATOM 1019 O LEU B 16 -6.414 5.223 13.609 1.00 52.08 O ATOM 1020 CB LEU B 16 -6.615 4.845 16.527 1.00 50.56 C ATOM 1021 CG LEU B 16 -5.782 5.087 17.789 1.00 50.33 C ATOM 1022 CD1 LEU B 16 -4.855 6.294 17.573 1.00 48.34 C ATOM 1023 CD2 LEU B 16 -6.704 5.329 18.974 1.00 50.20 C ATOM 1024 N ARG B 17 -7.239 3.137 13.511 1.00 51.65 N ATOM 1025 CA ARG B 17 -7.748 3.229 12.148 1.00 52.42 C ATOM 1026 C ARG B 17 -9.266 3.417 12.094 1.00 53.97 C ATOM 1027 O ARG B 17 -10.020 2.484 12.354 1.00 55.19 O ATOM 1028 CB ARG B 17 -7.335 1.946 11.403 1.00 50.40 C ATOM 1029 CG ARG B 17 -7.225 2.045 9.894 1.00 49.36 C ATOM 1030 CD ARG B 17 -6.362 0.906 9.327 1.00 46.92 C ATOM 1031 NE ARG B 17 -5.022 0.856 9.906 1.00 43.70 N ATOM 1032 CZ ARG B 17 -4.564 -0.155 10.630 1.00 43.52 C ATOM 1033 NH1 ARG B 17 -3.332 -0.119 11.118 1.00 40.96 N ATOM 1034 NH2 ARG B 17 -5.342 -1.210 10.856 1.00 44.84 N ATOM 1035 N LYS B 18 -9.717 4.623 11.763 1.00 54.85 N ATOM 1036 CA LYS B 18 -11.147 4.873 11.670 1.00 54.77 C ATOM 1037 C LYS B 18 -11.504 5.483 10.327 1.00 54.87 C ATOM 1038 O LYS B 18 -10.664 6.076 9.649 1.00 54.39 O ATOM 1039 CB LYS B 18 -11.614 5.813 12.794 1.00 54.39 C ATOM 1040 CG LYS B 18 -12.704 5.214 13.668 1.00 55.57 C ATOM 1041 CD LYS B 18 -12.227 3.871 14.248 1.00 57.30 C ATOM 1042 CE LYS B 18 -13.261 3.152 15.152 1.00 57.82 C ATOM 1043 NZ LYS B 18 -13.450 3.749 16.526 1.00 55.08 N ATOM 1044 N VAL B 19 -12.755 5.288 9.936 1.00 55.79 N ATOM 1045 CA VAL B 19 -13.290 5.846 8.708 1.00 56.89 C ATOM 1046 C VAL B 19 -14.223 6.887 9.287 1.00 56.79 C ATOM 1047 O VAL B 19 -14.996 6.570 10.189 1.00 57.18 O ATOM 1048 CB VAL B 19 -14.090 4.787 7.891 1.00 56.81 C ATOM 1049 CG1 VAL B 19 -14.657 3.719 8.814 1.00 56.84 C ATOM 1050 CG2 VAL B 19 -15.219 5.451 7.128 1.00 57.45 C ATOM 1051 N SER B 20 -14.125 8.125 8.815 1.00 57.06 N ATOM 1052 CA SER B 20 -14.985 9.181 9.337 1.00 57.90 C ATOM 1053 C SER B 20 -16.145 9.450 8.397 1.00 57.88 C ATOM 1054 O SER B 20 -16.036 9.241 7.197 1.00 58.13 O ATOM 1055 CB SER B 20 -14.182 10.460 9.601 1.00 57.81 C ATOM 1056 OG SER B 20 -13.201 10.246 10.618 1.00 58.92 O ATOM 1057 N PRO B 21 -17.281 9.934 8.946 1.00 57.85 N ATOM 1058 CA PRO B 21 -18.552 10.269 8.279 1.00 57.65 C ATOM 1059 C PRO B 21 -18.443 11.000 6.952 1.00 57.69 C ATOM 1060 O PRO B 21 -19.451 11.313 6.333 1.00 57.11 O ATOM 1061 CB PRO B 21 -19.288 11.109 9.325 1.00 57.71 C ATOM 1062 CG PRO B 21 -18.827 10.497 10.608 1.00 57.81 C ATOM 1063 CD PRO B 21 -17.340 10.345 10.362 1.00 58.15 C ATOM 1064 N SER B 22 -17.218 11.262 6.516 1.00 57.96 N ATOM 1065 CA SER B 22 -16.986 11.960 5.266 1.00 58.33 C ATOM 1066 C SER B 22 -16.651 10.974 4.162 1.00 58.37 C ATOM 1067 O SER B 22 -16.675 11.324 2.981 1.00 59.66 O ATOM 1068 CB SER B 22 -15.852 12.960 5.458 1.00 58.74 C ATOM 1069 OG SER B 22 -15.855 13.424 6.800 1.00 59.01 O ATOM 1070 N GLY B 23 -16.310 9.747 4.564 1.00 57.77 N ATOM 1071 CA GLY B 23 -15.990 8.688 3.610 1.00 56.50 C ATOM 1072 C GLY B 23 -14.616 8.047 3.678 1.00 55.00 C ATOM 1073 O GLY B 23 -14.465 6.832 3.520 1.00 54.50 O ATOM 1074 N ILE B 24 -13.606 8.869 3.929 1.00 53.48 N ATOM 1075 CA ILE B 24 -12.232 8.385 4.000 1.00 51.48 C ATOM 1076 C ILE B 24 -11.769 7.642 5.257 1.00 49.50 C ATOM 1077 O ILE B 24 -12.245 7.880 6.375 1.00 49.18 O ATOM 1078 CB ILE B 24 -11.278 9.539 3.712 1.00 52.32 C ATOM 1079 N PRO B 25 -10.801 6.725 5.072 1.00 47.01 N ATOM 1080 CA PRO B 25 -10.250 5.944 6.177 1.00 45.19 C ATOM 1081 C PRO B 25 -9.241 6.889 6.795 1.00 43.92 C ATOM 1082 O PRO B 25 -8.598 7.663 6.092 1.00 45.77 O ATOM 1083 CB PRO B 25 -9.569 4.780 5.460 1.00 44.25 C ATOM 1084 CG PRO B 25 -10.219 4.735 4.089 1.00 44.77 C ATOM 1085 CD PRO B 25 -10.304 6.206 3.783 1.00 45.77 C ATOM 1086 N HIS B 26 -9.103 6.892 8.100 1.00 42.96 N ATOM 1087 CA HIS B 26 -8.107 7.769 8.697 1.00 40.99 C ATOM 1088 C HIS B 26 -7.351 6.850 9.626 1.00 39.35 C ATOM 1089 O HIS B 26 -7.947 6.049 10.357 1.00 36.43 O ATOM 1090 CB HIS B 26 -8.778 8.913 9.462 1.00 42.64 C ATOM 1091 CG HIS B 26 -9.597 9.810 8.585 1.00 44.12 C ATOM 1092 ND1 HIS B 26 -9.039 10.659 7.652 1.00 43.95 N ATOM 1093 CD2 HIS B 26 -10.938 9.971 8.484 1.00 44.16 C ATOM 1094 CE1 HIS B 26 -9.999 11.306 7.016 1.00 43.84 C ATOM 1095 NE2 HIS B 26 -11.161 10.908 7.502 1.00 44.86 N ATOM 1096 N CYS B 27 -6.034 6.960 9.580 1.00 37.01 N ATOM 1097 CA CYS B 27 -5.218 6.132 10.414 1.00 35.08 C ATOM 1098 C CYS B 27 -4.311 7.035 11.213 1.00 34.12 C ATOM 1099 O CYS B 27 -3.497 7.749 10.662 1.00 33.09 O ATOM 1100 CB CYS B 27 -4.421 5.160 9.553 1.00 35.67 C ATOM 1101 SG CYS B 27 -3.853 3.788 10.528 1.00 35.32 S ATOM 1102 N GLN B 28 -4.457 7.013 12.523 1.00 34.28 N ATOM 1103 CA GLN B 28 -3.637 7.881 13.350 1.00 34.46 C ATOM 1104 C GLN B 28 -2.753 7.106 14.325 1.00 34.06 C ATOM 1105 O GLN B 28 -3.175 6.129 14.924 1.00 34.53 O ATOM 1106 CB GLN B 28 -4.554 8.872 14.111 1.00 33.24 C ATOM 1107 CG GLN B 28 -3.965 10.250 14.391 1.00 33.08 C ATOM 1108 CD GLN B 28 -2.866 10.242 15.448 1.00 34.46 C ATOM 1109 OE1 GLN B 28 -3.034 9.639 16.520 1.00 34.42 O ATOM 1110 NE2 GLN B 28 -1.743 10.931 15.168 1.00 33.52 N ATOM 1111 N PHE B 29 -1.527 7.569 14.493 1.00 34.63 N ATOM 1112 CA PHE B 29 -0.609 6.926 15.399 1.00 34.09 C ATOM 1113 C PHE B 29 0.426 7.942 15.868 1.00 34.47 C ATOM 1114 O PHE B 29 0.401 9.105 15.456 1.00 34.48 O ATOM 1115 CB PHE B 29 0.055 5.762 14.676 1.00 35.57 C ATOM 1116 CG PHE B 29 0.694 6.131 13.359 1.00 33.30 C ATOM 1117 CD1 PHE B 29 2.052 6.396 13.279 1.00 33.59 C ATOM 1118 CD2 PHE B 29 -0.037 6.086 12.184 1.00 34.22 C ATOM 1119 CE1 PHE B 29 2.681 6.596 12.033 1.00 33.52 C ATOM 1120 CE2 PHE B 29 0.584 6.282 10.925 1.00 33.20 C ATOM 1121 CZ PHE B 29 1.947 6.533 10.859 1.00 32.45 C ATOM 1122 N VAL B 30 1.337 7.519 16.726 1.00 32.35 N ATOM 1123 CA VAL B 30 2.323 8.452 17.196 1.00 30.95 C ATOM 1124 C VAL B 30 3.719 7.898 16.938 1.00 30.63 C ATOM 1125 O VAL B 30 4.013 6.766 17.288 1.00 31.89 O ATOM 1126 CB VAL B 30 2.082 8.762 18.682 1.00 29.95 C ATOM 1127 CG1 VAL B 30 2.526 7.605 19.518 1.00 29.56 C ATOM 1128 CG2 VAL B 30 2.796 10.033 19.084 1.00 29.84 C ATOM 1129 N LEU B 31 4.572 8.713 16.322 1.00 29.45 N ATOM 1130 CA LEU B 31 5.922 8.309 15.966 1.00 27.88 C ATOM 1131 C LEU B 31 6.985 8.849 16.914 1.00 27.57 C ATOM 1132 O LEU B 31 7.043 10.033 17.186 1.00 27.90 O ATOM 1133 CB LEU B 31 6.215 8.771 14.540 1.00 29.31 C ATOM 1134 CG LEU B 31 7.521 8.312 13.884 1.00 28.65 C ATOM 1135 CD1 LEU B 31 7.543 6.797 13.772 1.00 30.25 C ATOM 1136 CD2 LEU B 31 7.636 8.940 12.500 1.00 29.46 C ATOM 1137 N GLU B 32 7.846 7.979 17.405 1.00 27.36 N ATOM 1138 CA GLU B 32 8.852 8.423 18.326 1.00 26.79 C ATOM 1139 C GLU B 32 10.197 8.468 17.693 1.00 26.55 C ATOM 1140 O GLU B 32 10.801 7.453 17.408 1.00 28.15 O ATOM 1141 CB GLU B 32 8.882 7.536 19.565 1.00 28.99 C ATOM 1142 CG GLU B 32 9.999 7.852 20.546 1.00 32.96 C ATOM 1143 CD GLU B 32 9.709 7.297 21.929 1.00 34.44 C ATOM 1144 OE1 GLU B 32 9.493 8.108 22.859 1.00 33.11 O ATOM 1145 OE2 GLU B 32 9.683 6.047 22.082 1.00 38.11 O ATOM 1146 N HIS B 33 10.665 9.685 17.484 1.00 27.18 N ATOM 1147 CA HIS B 33 11.955 9.921 16.884 1.00 25.78 C ATOM 1148 C HIS B 33 13.029 10.096 17.972 1.00 28.56 C ATOM 1149 O HIS B 33 12.731 10.556 19.068 1.00 29.98 O ATOM 1150 CB HIS B 33 11.864 11.152 15.985 1.00 23.49 C ATOM 1151 CG HIS B 33 13.166 11.518 15.375 1.00 21.42 C ATOM 1152 ND1 HIS B 33 13.623 10.950 14.211 1.00 21.32 N ATOM 1153 CD2 HIS B 33 14.174 12.285 15.846 1.00 20.69 C ATOM 1154 CE1 HIS B 33 14.863 11.345 13.993 1.00 21.47 C ATOM 1155 NE2 HIS B 33 15.220 12.154 14.971 1.00 22.56 N ATOM 1156 N ARG B 34 14.271 9.735 17.657 1.00 30.21 N ATOM 1157 CA ARG B 34 15.374 9.826 18.609 1.00 32.43 C ATOM 1158 C ARG B 34 16.623 9.781 17.746 1.00 33.17 C ATOM 1159 O ARG B 34 16.797 8.845 16.983 1.00 34.20 O ATOM 1160 CB ARG B 34 15.322 8.609 19.549 1.00 34.41 C ATOM 1161 CG ARG B 34 16.159 8.647 20.837 1.00 37.09 C ATOM 1162 CD ARG B 34 15.272 8.772 22.079 1.00 37.28 C ATOM 1163 NE ARG B 34 14.215 7.755 22.138 1.00 40.51 N ATOM 1164 CZ ARG B 34 13.236 7.729 23.055 1.00 41.94 C ATOM 1165 NH1 ARG B 34 12.313 6.768 23.029 1.00 40.13 N ATOM 1166 NH2 ARG B 34 13.174 8.658 24.007 1.00 42.39 N ATOM 1167 N SER B 35 17.485 10.788 17.841 1.00 34.30 N ATOM 1168 CA SER B 35 18.703 10.817 17.030 1.00 36.00 C ATOM 1169 C SER B 35 19.699 11.835 17.562 1.00 36.72 C ATOM 1170 O SER B 35 19.365 12.626 18.435 1.00 38.23 O ATOM 1171 CB SER B 35 18.362 11.135 15.577 1.00 35.48 C ATOM 1172 OG SER B 35 17.633 12.352 15.466 1.00 36.88 O ATOM 1173 N VAL B 36 20.921 11.799 17.040 1.00 38.49 N ATOM 1174 CA VAL B 36 22.005 12.694 17.462 1.00 42.00 C ATOM 1175 C VAL B 36 22.496 13.428 16.229 1.00 44.20 C ATOM 1176 O VAL B 36 22.723 12.801 15.188 1.00 45.17 O ATOM 1177 CB VAL B 36 23.197 11.891 18.071 1.00 42.77 C ATOM 1178 CG1 VAL B 36 24.363 12.810 18.372 1.00 41.95 C ATOM 1179 CG2 VAL B 36 22.749 11.176 19.351 1.00 43.84 C ATOM 1180 N GLN B 37 22.689 14.747 16.349 1.00 47.03 N ATOM 1181 CA GLN B 37 23.135 15.552 15.194 1.00 48.84 C ATOM 1182 C GLN B 37 23.595 17.020 15.421 1.00 50.28 C ATOM 1183 O GLN B 37 23.515 17.527 16.559 1.00 51.58 O ATOM 1184 CB GLN B 37 22.008 15.542 14.142 1.00 48.24 C ATOM 1185 CG GLN B 37 20.624 15.826 14.739 1.00 47.40 C ATOM 1186 CD GLN B 37 19.456 15.616 13.769 1.00 48.60 C ATOM 1187 OE1 GLN B 37 19.328 16.308 12.751 1.00 49.07 O ATOM 1188 NE2 GLN B 37 18.588 14.665 14.097 1.00 49.53 N ATOM 1189 N GLU B 38 24.048 17.650 14.315 1.00 51.11 N ATOM 1190 CA GLU B 38 24.550 19.037 14.141 1.00 51.93 C ATOM 1191 C GLU B 38 25.820 19.046 13.242 1.00 53.52 C ATOM 1192 O GLU B 38 26.703 18.220 13.413 1.00 53.60 O ATOM 1193 CB GLU B 38 24.912 19.739 15.467 1.00 51.47 C ATOM 1194 CG GLU B 38 24.305 21.144 15.690 1.00 51.44 C ATOM 1195 CD GLU B 38 25.333 22.261 15.991 1.00 52.30 C ATOM 1196 OE1 GLU B 38 25.711 23.033 15.074 1.00 52.30 O ATOM 1197 OE2 GLU B 38 25.763 22.385 17.156 1.00 53.92 O ATOM 1198 N GLU B 39 25.891 20.021 12.326 1.00 55.73 N ATOM 1199 CA GLU B 39 26.961 20.236 11.329 1.00 57.69 C ATOM 1200 C GLU B 39 28.268 19.468 11.451 1.00 59.15 C ATOM 1201 O GLU B 39 28.328 18.283 11.135 1.00 60.64 O ATOM 1202 CB GLU B 39 27.250 21.718 11.199 1.00 57.14 C ATOM 1203 N ALA B 40 29.334 20.106 11.896 1.00 60.27 N ATOM 1204 CA ALA B 40 30.602 19.434 12.004 1.00 61.11 C ATOM 1205 C ALA B 40 30.739 18.447 13.153 1.00 62.08 C ATOM 1206 O ALA B 40 30.581 17.233 12.962 1.00 61.85 O ATOM 1207 CB ALA B 40 31.745 20.447 12.095 1.00 60.85 C ATOM 1208 N GLY B 41 31.060 18.945 14.351 1.00 63.05 N ATOM 1209 CA GLY B 41 31.245 18.050 15.486 1.00 63.36 C ATOM 1210 C GLY B 41 30.691 18.512 16.819 1.00 63.43 C ATOM 1211 O GLY B 41 31.272 18.194 17.874 1.00 63.25 O ATOM 1212 N PHE B 42 29.596 19.274 16.786 1.00 63.26 N ATOM 1213 CA PHE B 42 28.975 19.720 18.031 1.00 62.95 C ATOM 1214 C PHE B 42 27.822 18.726 18.187 1.00 64.18 C ATOM 1215 O PHE B 42 27.028 18.542 17.255 1.00 64.45 O ATOM 1216 CB PHE B 42 28.397 21.151 17.975 1.00 60.77 C ATOM 1217 CG PHE B 42 28.876 22.003 16.813 1.00 59.26 C ATOM 1218 CD1 PHE B 42 28.204 23.180 16.507 1.00 57.61 C ATOM 1219 CD2 PHE B 42 29.966 21.645 16.028 1.00 58.47 C ATOM 1220 CE1 PHE B 42 28.590 23.972 15.457 1.00 56.32 C ATOM 1221 CE2 PHE B 42 30.358 22.436 14.976 1.00 58.08 C ATOM 1222 CZ PHE B 42 29.664 23.604 14.690 1.00 57.01 C ATOM 1223 N HIS B 43 27.738 18.071 19.348 1.00 64.20 N ATOM 1224 CA HIS B 43 26.689 17.069 19.598 1.00 63.06 C ATOM 1225 C HIS B 43 25.388 17.559 20.199 1.00 60.80 C ATOM 1226 O HIS B 43 25.355 18.035 21.338 1.00 60.70 O ATOM 1227 CB HIS B 43 27.207 15.959 20.515 1.00 66.13 C ATOM 1228 CG HIS B 43 28.424 15.258 19.993 1.00 69.62 C ATOM 1229 ND1 HIS B 43 29.698 15.552 20.435 1.00 70.34 N ATOM 1230 CD2 HIS B 43 28.575 14.322 19.025 1.00 70.46 C ATOM 1231 CE1 HIS B 43 30.578 14.833 19.764 1.00 70.91 C ATOM 1232 NE2 HIS B 43 29.923 14.077 18.900 1.00 70.88 N ATOM 1233 N ARG B 44 24.309 17.429 19.439 1.00 57.84 N ATOM 1234 CA ARG B 44 23.000 17.824 19.940 1.00 55.36 C ATOM 1235 C ARG B 44 22.212 16.519 19.887 1.00 52.82 C ATOM 1236 O ARG B 44 22.534 15.641 19.095 1.00 52.69 O ATOM 1237 CB ARG B 44 22.352 18.888 19.035 1.00 56.93 C ATOM 1238 CG ARG B 44 21.143 19.653 19.652 1.00 58.06 C ATOM 1239 CD ARG B 44 21.591 20.754 20.634 1.00 59.86 C ATOM 1240 NE ARG B 44 20.494 21.529 21.227 1.00 61.03 N ATOM 1241 CZ ARG B 44 19.971 21.307 22.435 1.00 62.29 C ATOM 1242 NH1 ARG B 44 20.433 20.322 23.201 1.00 61.44 N ATOM 1243 NH2 ARG B 44 18.998 22.091 22.890 1.00 61.74 N ATOM 1244 N GLN B 45 21.225 16.357 20.758 1.00 48.97 N ATOM 1245 CA GLN B 45 20.439 15.139 20.721 1.00 44.64 C ATOM 1246 C GLN B 45 19.037 15.496 20.273 1.00 42.43 C ATOM 1247 O GLN B 45 18.580 16.591 20.519 1.00 42.06 O ATOM 1248 CB GLN B 45 20.397 14.494 22.089 1.00 45.26 C ATOM 1249 CG GLN B 45 20.322 12.990 22.041 1.00 42.49 C ATOM 1250 CD GLN B 45 21.241 12.415 23.064 1.00 41.51 C ATOM 1251 OE1 GLN B 45 20.912 12.359 24.250 1.00 41.35 O ATOM 1252 NE2 GLN B 45 22.430 12.030 22.632 1.00 40.33 N ATOM 1253 N ALA B 46 18.356 14.566 19.618 1.00 40.17 N ATOM 1254 CA ALA B 46 17.008 14.829 19.128 1.00 37.05 C ATOM 1255 C ALA B 46 15.976 13.774 19.506 1.00 35.26 C ATOM 1256 O ALA B 46 16.213 12.593 19.332 1.00 36.23 O ATOM 1257 CB ALA B 46 17.030 15.002 17.596 1.00 36.49 C ATOM 1258 N TRP B 47 14.830 14.226 20.002 1.00 32.20 N ATOM 1259 CA TRP B 47 13.745 13.351 20.396 1.00 29.76 C ATOM 1260 C TRP B 47 12.424 14.077 20.124 1.00 29.41 C ATOM 1261 O TRP B 47 12.345 15.304 20.244 1.00 29.55 O ATOM 1262 CB TRP B 47 13.853 12.999 21.901 1.00 29.44 C ATOM 1263 CG TRP B 47 12.637 13.437 22.716 1.00 28.85 C ATOM 1264 CD1 TRP B 47 12.333 14.723 23.114 1.00 30.93 C ATOM 1265 CD2 TRP B 47 11.478 12.649 23.029 1.00 27.85 C ATOM 1266 NE1 TRP B 47 11.058 14.777 23.629 1.00 28.08 N ATOM 1267 CE2 TRP B 47 10.513 13.520 23.590 1.00 27.85 C ATOM 1268 CE3 TRP B 47 11.161 11.297 22.889 1.00 27.04 C ATOM 1269 CZ2 TRP B 47 9.260 13.087 23.991 1.00 28.39 C ATOM 1270 CZ3 TRP B 47 9.921 10.873 23.290 1.00 26.41 C ATOM 1271 CH2 TRP B 47 8.983 11.766 23.839 1.00 26.91 C ATOM 1272 N CYS B 48 11.379 13.338 19.764 1.00 29.21 N ATOM 1273 CA CYS B 48 10.099 13.985 19.524 1.00 31.07 C ATOM 1274 C CYS B 48 9.006 12.955 19.121 1.00 29.90 C ATOM 1275 O CYS B 48 9.231 12.082 18.284 1.00 30.16 O ATOM 1276 CB CYS B 48 10.289 15.113 18.472 1.00 32.96 C ATOM 1277 SG CYS B 48 8.873 16.261 18.310 1.00 39.04 S ATOM 1278 N GLN B 49 7.838 13.052 19.757 1.00 27.15 N ATOM 1279 CA GLN B 49 6.739 12.151 19.475 1.00 27.27 C ATOM 1280 C GLN B 49 5.669 12.866 18.682 1.00 27.01 C ATOM 1281 O GLN B 49 4.696 13.420 19.226 1.00 27.06 O ATOM 1282 CB GLN B 49 6.115 11.596 20.756 1.00 28.36 C ATOM 1283 CG GLN B 49 7.040 10.728 21.562 1.00 29.70 C ATOM 1284 CD GLN B 49 6.363 10.222 22.817 1.00 31.10 C ATOM 1285 OE1 GLN B 49 6.999 9.622 23.685 1.00 33.36 O ATOM 1286 NE2 GLN B 49 5.060 10.449 22.914 1.00 30.94 N ATOM 1287 N MET B 50 5.839 12.798 17.374 1.00 25.90 N ATOM 1288 CA MET B 50 4.949 13.446 16.460 1.00 23.75 C ATOM 1289 C MET B 50 3.644 12.752 16.130 1.00 24.28 C ATOM 1290 O MET B 50 3.632 11.698 15.504 1.00 25.11 O ATOM 1291 CB MET B 50 5.695 13.711 15.161 1.00 23.10 C ATOM 1292 CG MET B 50 4.901 14.600 14.224 1.00 22.55 C ATOM 1293 SD MET B 50 5.333 16.312 14.490 1.00 23.76 S ATOM 1294 CE MET B 50 6.803 16.369 13.585 1.00 22.72 C ATOM 1295 N PRO B 51 2.520 13.319 16.565 1.00 24.11 N ATOM 1296 CA PRO B 51 1.267 12.652 16.219 1.00 24.03 C ATOM 1297 C PRO B 51 1.151 12.649 14.696 1.00 25.26 C ATOM 1298 O PRO B 51 1.297 13.689 14.037 1.00 24.11 O ATOM 1299 CB PRO B 51 0.225 13.527 16.883 1.00 22.46 C ATOM 1300 CG PRO B 51 0.904 13.920 18.151 1.00 23.98 C ATOM 1301 CD PRO B 51 2.339 14.233 17.704 1.00 24.70 C ATOM 1302 N VAL B 52 0.911 11.477 14.127 1.00 24.66 N ATOM 1303 CA VAL B 52 0.781 11.381 12.684 1.00 23.89 C ATOM 1304 C VAL B 52 -0.603 10.932 12.290 1.00 24.56 C ATOM 1305 O VAL B 52 -1.214 10.145 13.003 1.00 26.12 O ATOM 1306 CB VAL B 52 1.764 10.352 12.112 1.00 22.72 C ATOM 1307 CG1 VAL B 52 1.582 10.224 10.606 1.00 22.83 C ATOM 1308 CG2 VAL B 52 3.183 10.756 12.453 1.00 24.42 C ATOM 1309 N ILE B 53 -1.128 11.474 11.198 1.00 24.15 N ATOM 1310 CA ILE B 53 -2.406 10.993 10.683 1.00 24.90 C ATOM 1311 C ILE B 53 -2.178 10.641 9.215 1.00 25.38 C ATOM 1312 O ILE B 53 -1.457 11.349 8.507 1.00 25.70 O ATOM 1313 CB ILE B 53 -3.599 11.998 10.756 1.00 25.99 C ATOM 1314 CG1 ILE B 53 -4.755 11.412 9.912 1.00 25.90 C ATOM 1315 CG2 ILE B 53 -3.215 13.378 10.204 1.00 25.71 C ATOM 1316 CD1 ILE B 53 -6.117 12.062 10.147 1.00 27.55 C ATOM 1317 N VAL B 54 -2.775 9.539 8.770 1.00 24.92 N ATOM 1318 CA VAL B 54 -2.641 9.137 7.385 1.00 24.50 C ATOM 1319 C VAL B 54 -4.064 9.094 6.867 1.00 26.86 C ATOM 1320 O VAL B 54 -4.838 8.179 7.142 1.00 29.14 O ATOM 1321 CB VAL B 54 -1.909 7.821 7.287 1.00 22.21 C ATOM 1322 CG1 VAL B 54 -1.779 7.417 5.841 1.00 21.07 C ATOM 1323 CG2 VAL B 54 -0.531 7.973 7.934 1.00 18.00 C ATOM 1324 N SER B 55 -4.403 10.136 6.127 1.00 29.94 N ATOM 1325 CA SER B 55 -5.755 10.354 5.623 1.00 33.43 C ATOM 1326 C SER B 55 -5.982 10.086 4.144 1.00 34.78 C ATOM 1327 O SER B 55 -5.261 10.627 3.289 1.00 35.52 O ATOM 1328 CB SER B 55 -6.150 11.809 5.976 1.00 34.15 C ATOM 1329 OG SER B 55 -7.346 12.233 5.354 1.00 38.56 O ATOM 1330 N GLY B 56 -7.014 9.298 3.839 1.00 35.94 N ATOM 1331 CA GLY B 56 -7.307 8.960 2.454 1.00 36.99 C ATOM 1332 C GLY B 56 -7.118 7.482 2.127 1.00 37.88 C ATOM 1333 O GLY B 56 -6.432 6.743 2.852 1.00 37.28 O ATOM 1334 N HIS B 57 -7.735 7.065 1.019 1.00 37.43 N ATOM 1335 CA HIS B 57 -7.697 5.680 0.515 1.00 37.19 C ATOM 1336 C HIS B 57 -6.330 5.248 0.001 1.00 37.91 C ATOM 1337 O HIS B 57 -5.839 4.143 0.284 1.00 37.90 O ATOM 1338 CB HIS B 57 -8.727 5.528 -0.609 1.00 36.06 C ATOM 1339 CG HIS B 57 -10.115 5.271 -0.111 1.00 34.68 C ATOM 1340 ND1 HIS B 57 -10.603 4.000 0.105 1.00 33.71 N ATOM 1341 CD2 HIS B 57 -11.092 6.116 0.294 1.00 34.52 C ATOM 1342 CE1 HIS B 57 -11.815 4.071 0.623 1.00 35.32 C ATOM 1343 NE2 HIS B 57 -12.138 5.345 0.749 1.00 35.54 N ATOM 1344 N GLU B 58 -5.727 6.150 -0.759 1.00 37.88 N ATOM 1345 CA GLU B 58 -4.428 5.941 -1.357 1.00 37.89 C ATOM 1346 C GLU B 58 -3.353 5.353 -0.411 1.00 37.99 C ATOM 1347 O GLU B 58 -2.668 4.400 -0.774 1.00 39.15 O ATOM 1348 CB GLU B 58 -3.962 7.269 -1.957 1.00 38.90 C ATOM 1349 CG GLU B 58 -3.092 7.128 -3.186 1.00 40.98 C ATOM 1350 CD GLU B 58 -2.060 8.237 -3.290 1.00 43.25 C ATOM 1351 OE1 GLU B 58 -0.923 7.956 -3.735 1.00 43.89 O ATOM 1352 OE2 GLU B 58 -2.382 9.389 -2.929 1.00 44.09 O ATOM 1353 N ASN B 59 -3.216 5.893 0.800 1.00 37.68 N ATOM 1354 CA ASN B 59 -2.196 5.407 1.753 1.00 36.11 C ATOM 1355 C ASN B 59 -2.624 4.399 2.839 1.00 34.02 C ATOM 1356 O ASN B 59 -1.772 3.883 3.566 1.00 33.08 O ATOM 1357 CB ASN B 59 -1.521 6.606 2.437 1.00 37.24 C ATOM 1358 CG ASN B 59 -0.302 7.097 1.684 1.00 38.99 C ATOM 1359 OD1 ASN B 59 0.084 8.262 1.795 1.00 39.66 O ATOM 1360 ND2 ASN B 59 0.326 6.204 0.926 1.00 39.65 N ATOM 1361 N GLN B 60 -3.922 4.114 2.952 1.00 32.82 N ATOM 1362 CA GLN B 60 -4.404 3.175 3.967 1.00 34.31 C ATOM 1363 C GLN B 60 -4.054 1.723 3.657 1.00 36.52 C ATOM 1364 O GLN B 60 -4.182 0.834 4.495 1.00 36.64 O ATOM 1365 CB GLN B 60 -5.902 3.325 4.164 1.00 34.10 C ATOM 1366 CG GLN B 60 -6.280 3.203 5.611 1.00 37.28 C ATOM 1367 CD GLN B 60 -5.505 4.181 6.509 1.00 38.63 C ATOM 1368 OE1 GLN B 60 -6.088 5.106 7.065 1.00 39.65 O ATOM 1369 NE2 GLN B 60 -4.192 3.974 6.651 1.00 36.98 N ATOM 1370 N ALA B 61 -3.599 1.498 2.435 1.00 38.70 N ATOM 1371 CA ALA B 61 -3.175 0.184 2.028 1.00 38.22 C ATOM 1372 C ALA B 61 -1.938 -0.170 2.874 1.00 39.08 C ATOM 1373 O ALA B 61 -2.046 -0.956 3.822 1.00 39.87 O ATOM 1374 CB ALA B 61 -2.836 0.198 0.559 1.00 38.45 C ATOM 1375 N ILE B 62 -0.785 0.437 2.575 1.00 39.02 N ATOM 1376 CA ILE B 62 0.452 0.141 3.319 1.00 39.87 C ATOM 1377 C ILE B 62 0.312 0.125 4.841 1.00 41.15 C ATOM 1378 O ILE B 62 1.130 -0.468 5.538 1.00 41.64 O ATOM 1379 CB ILE B 62 1.547 1.138 2.942 1.00 39.92 C ATOM 1380 N THR B 63 -0.724 0.783 5.350 1.00 41.72 N ATOM 1381 CA THR B 63 -0.979 0.905 6.788 1.00 41.02 C ATOM 1382 C THR B 63 -1.280 -0.363 7.615 1.00 40.03 C ATOM 1383 O THR B 63 -0.721 -0.546 8.708 1.00 40.41 O ATOM 1384 CB THR B 63 -2.099 1.982 7.026 1.00 42.79 C ATOM 1385 OG1 THR B 63 -1.619 2.980 7.940 1.00 44.26 O ATOM 1386 CG2 THR B 63 -3.376 1.347 7.591 1.00 42.15 C ATOM 1387 N HIS B 64 -2.151 -1.238 7.126 1.00 38.93 N ATOM 1388 CA HIS B 64 -2.459 -2.449 7.892 1.00 37.98 C ATOM 1389 C HIS B 64 -1.171 -3.212 8.281 1.00 36.69 C ATOM 1390 O HIS B 64 -1.236 -4.333 8.757 1.00 36.24 O ATOM 1391 CB HIS B 64 -3.391 -3.389 7.098 1.00 37.04 C ATOM 1392 CG HIS B 64 -4.717 -2.787 6.742 1.00 35.89 C ATOM 1393 ND1 HIS B 64 -5.110 -2.567 5.436 1.00 37.71 N ATOM 1394 CD2 HIS B 64 -5.744 -2.363 7.515 1.00 36.02 C ATOM 1395 CE1 HIS B 64 -6.319 -2.035 5.421 1.00 37.27 C ATOM 1396 NE2 HIS B 64 -6.728 -1.901 6.671 1.00 38.76 N ATOM 1397 N SER B 65 -0.006 -2.597 8.090 1.00 36.62 N ATOM 1398 CA SER B 65 1.270 -3.230 8.414 1.00 36.10 C ATOM 1399 C SER B 65 2.071 -2.603 9.549 1.00 36.55 C ATOM 1400 O SER B 65 3.038 -3.202 10.007 1.00 35.53 O ATOM 1401 CB SER B 65 2.173 -3.290 7.169 1.00 35.40 C ATOM 1402 OG SER B 65 3.517 -3.571 7.538 1.00 34.84 O ATOM 1403 N ILE B 66 1.703 -1.405 9.994 1.00 37.68 N ATOM 1404 CA ILE B 66 2.467 -0.788 11.082 1.00 39.98 C ATOM 1405 C ILE B 66 1.773 -0.922 12.432 1.00 39.62 C ATOM 1406 O ILE B 66 0.570 -0.684 12.579 1.00 39.31 O ATOM 1407 CB ILE B 66 2.822 0.709 10.777 1.00 42.40 C ATOM 1408 CG1 ILE B 66 1.805 1.675 11.378 1.00 43.99 C ATOM 1409 CG2 ILE B 66 2.802 0.940 9.294 1.00 44.96 C ATOM 1410 CD1 ILE B 66 2.112 2.105 12.803 1.00 47.23 C ATOM 1411 N THR B 67 2.558 -1.330 13.418 1.00 39.77 N ATOM 1412 CA THR B 67 2.055 -1.555 14.763 1.00 39.41 C ATOM 1413 C THR B 67 3.058 -0.962 15.742 1.00 39.04 C ATOM 1414 O THR B 67 4.141 -0.533 15.338 1.00 40.65 O ATOM 1415 CB THR B 67 1.946 -3.087 15.066 1.00 39.54 C ATOM 1416 OG1 THR B 67 1.736 -3.826 13.846 1.00 41.21 O ATOM 1417 CG2 THR B 67 0.778 -3.352 15.996 1.00 39.90 C ATOM 1418 N VAL B 68 2.698 -0.921 17.024 1.00 38.06 N ATOM 1419 CA VAL B 68 3.611 -0.412 18.051 1.00 36.34 C ATOM 1420 C VAL B 68 4.945 -1.112 17.869 1.00 37.17 C ATOM 1421 O VAL B 68 4.999 -2.351 17.787 1.00 38.53 O ATOM 1422 CB VAL B 68 3.152 -0.785 19.464 1.00 34.91 C ATOM 1423 CG1 VAL B 68 4.188 -0.349 20.472 1.00 31.67 C ATOM 1424 CG2 VAL B 68 1.806 -0.187 19.752 1.00 33.79 C ATOM 1425 N GLY B 69 6.022 -0.343 17.823 1.00 37.06 N ATOM 1426 CA GLY B 69 7.339 -0.950 17.664 1.00 36.23 C ATOM 1427 C GLY B 69 7.832 -0.928 16.232 1.00 35.39 C ATOM 1428 O GLY B 69 9.025 -1.048 15.966 1.00 35.35 O ATOM 1429 N SER B 70 6.883 -0.782 15.316 1.00 35.74 N ATOM 1430 CA SER B 70 7.142 -0.726 13.883 1.00 36.29 C ATOM 1431 C SER B 70 8.008 0.472 13.521 1.00 37.24 C ATOM 1432 O SER B 70 7.690 1.598 13.902 1.00 39.17 O ATOM 1433 CB SER B 70 5.816 -0.602 13.134 1.00 35.49 C ATOM 1434 OG SER B 70 6.029 -0.163 11.810 1.00 36.47 O ATOM 1435 N ARG B 71 9.097 0.262 12.792 1.00 36.43 N ATOM 1436 CA ARG B 71 9.920 1.408 12.410 1.00 36.08 C ATOM 1437 C ARG B 71 9.561 1.833 10.981 1.00 35.49 C ATOM 1438 O ARG B 71 9.447 1.010 10.072 1.00 35.90 O ATOM 1439 CB ARG B 71 11.412 1.083 12.551 1.00 34.41 C ATOM 1440 CG ARG B 71 11.797 -0.246 11.949 1.00 36.07 C ATOM 1441 CD ARG B 71 12.426 -1.231 12.937 1.00 36.45 C ATOM 1442 NE ARG B 71 13.863 -1.016 13.088 1.00 36.07 N ATOM 1443 CZ ARG B 71 14.389 -0.186 13.974 1.00 36.10 C ATOM 1444 NH1 ARG B 71 15.710 -0.040 14.057 1.00 33.28 N ATOM 1445 NH2 ARG B 71 13.578 0.486 14.787 1.00 37.06 N ATOM 1446 N ILE B 72 9.334 3.125 10.794 1.00 36.09 N ATOM 1447 CA ILE B 72 8.965 3.636 9.485 1.00 34.81 C ATOM 1448 C ILE B 72 9.392 5.093 9.379 1.00 32.96 C ATOM 1449 O ILE B 72 9.736 5.729 10.370 1.00 32.90 O ATOM 1450 CB ILE B 72 7.422 3.594 9.257 1.00 35.22 C ATOM 1451 CG1 ILE B 72 6.742 4.655 10.110 1.00 35.97 C ATOM 1452 CG2 ILE B 72 6.851 2.266 9.672 1.00 32.96 C ATOM 1453 CD1 ILE B 72 6.443 5.954 9.379 1.00 41.60 C ATOM 1454 N THR B 73 9.366 5.606 8.154 1.00 31.74 N ATOM 1455 CA THR B 73 9.703 6.991 7.882 1.00 28.91 C ATOM 1456 C THR B 73 8.474 7.507 7.213 1.00 27.55 C ATOM 1457 O THR B 73 7.876 6.801 6.410 1.00 28.44 O ATOM 1458 CB THR B 73 10.830 7.129 6.879 1.00 27.92 C ATOM 1459 OG1 THR B 73 11.994 6.419 7.336 1.00 29.77 O ATOM 1460 CG2 THR B 73 11.167 8.594 6.699 1.00 27.13 C ATOM 1461 N VAL B 74 8.066 8.718 7.559 1.00 28.28 N ATOM 1462 CA VAL B 74 6.902 9.320 6.917 1.00 27.51 C ATOM 1463 C VAL B 74 7.251 10.722 6.433 1.00 26.58 C ATOM 1464 O VAL B 74 8.073 11.413 7.034 1.00 25.66 O ATOM 1465 CB VAL B 74 5.696 9.360 7.863 1.00 26.40 C ATOM 1466 CG1 VAL B 74 6.148 9.737 9.245 1.00 29.18 C ATOM 1467 CG2 VAL B 74 4.675 10.335 7.353 1.00 26.76 C ATOM 1468 N GLN B 75 6.642 11.122 5.326 1.00 26.28 N ATOM 1469 CA GLN B 75 6.882 12.432 4.738 1.00 26.48 C ATOM 1470 C GLN B 75 5.545 13.080 4.485 1.00 25.87 C ATOM 1471 O GLN B 75 4.635 12.462 3.950 1.00 28.59 O ATOM 1472 CB GLN B 75 7.646 12.271 3.434 1.00 28.69 C ATOM 1473 CG GLN B 75 8.117 13.547 2.838 1.00 31.44 C ATOM 1474 CD GLN B 75 7.200 14.010 1.763 1.00 33.42 C ATOM 1475 OE1 GLN B 75 5.990 14.169 1.980 1.00 33.62 O ATOM 1476 NE2 GLN B 75 7.759 14.234 0.573 1.00 35.81 N ATOM 1477 N GLY B 76 5.403 14.326 4.882 1.00 25.05 N ATOM 1478 CA GLY B 76 4.126 14.969 4.689 1.00 24.71 C ATOM 1479 C GLY B 76 4.203 16.335 5.319 1.00 24.99 C ATOM 1480 O GLY B 76 5.285 16.796 5.701 1.00 27.91 O ATOM 1481 N PHE B 77 3.048 16.968 5.452 1.00 22.95 N ATOM 1482 CA PHE B 77 2.978 18.289 6.016 1.00 22.41 C ATOM 1483 C PHE B 77 2.423 18.346 7.415 1.00 23.91 C ATOM 1484 O PHE B 77 1.577 17.549 7.799 1.00 25.12 O ATOM 1485 CB PHE B 77 2.125 19.177 5.126 1.00 18.51 C ATOM 1486 CG PHE B 77 0.644 18.931 5.245 1.00 14.30 C ATOM 1487 CD1 PHE B 77 -0.007 18.113 4.329 1.00 12.43 C ATOM 1488 CD2 PHE B 77 -0.114 19.619 6.182 1.00 13.87 C ATOM 1489 CE1 PHE B 77 -1.411 17.990 4.334 1.00 13.19 C ATOM 1490 CE2 PHE B 77 -1.509 19.509 6.201 1.00 11.68 C ATOM 1491 CZ PHE B 77 -2.162 18.703 5.275 1.00 12.62 C ATOM 1492 N ILE B 78 2.881 19.352 8.142 1.00 26.49 N ATOM 1493 CA ILE B 78 2.498 19.635 9.525 1.00 28.85 C ATOM 1494 C ILE B 78 1.446 20.744 9.678 1.00 28.65 C ATOM 1495 O ILE B 78 1.663 21.841 9.197 1.00 30.50 O ATOM 1496 CB ILE B 78 3.711 20.131 10.266 1.00 29.25 C ATOM 1497 CG1 ILE B 78 4.836 19.114 10.152 1.00 30.42 C ATOM 1498 CG2 ILE B 78 3.338 20.487 11.699 1.00 32.99 C ATOM 1499 CD1 ILE B 78 6.206 19.619 10.594 1.00 31.45 C ATOM 1500 N SER B 79 0.334 20.479 10.347 1.00 29.31 N ATOM 1501 CA SER B 79 -0.663 21.511 10.569 1.00 32.00 C ATOM 1502 C SER B 79 -0.885 21.600 12.068 1.00 34.55 C ATOM 1503 O SER B 79 -0.449 20.710 12.810 1.00 36.87 O ATOM 1504 CB SER B 79 -1.965 21.224 9.853 1.00 32.26 C ATOM 1505 OG SER B 79 -2.834 22.339 10.031 1.00 32.83 O ATOM 1506 N CYS B 80 -1.574 22.637 12.538 1.00 35.73 N ATOM 1507 CA CYS B 80 -1.710 22.809 13.981 1.00 37.08 C ATOM 1508 C CYS B 80 -3.086 23.275 14.444 1.00 37.66 C ATOM 1509 O CYS B 80 -3.451 24.432 14.283 1.00 37.24 O ATOM 1510 CB CYS B 80 -0.551 23.751 14.418 1.00 37.74 C ATOM 1511 SG CYS B 80 0.958 23.077 13.604 1.00 42.81 S ATOM 1512 N HIS B 81 -3.835 22.354 15.019 1.00 39.98 N ATOM 1513 CA HIS B 81 -5.203 22.666 15.443 1.00 43.54 C ATOM 1514 C HIS B 81 -5.266 23.107 16.911 1.00 45.17 C ATOM 1515 O HIS B 81 -4.357 22.798 17.659 1.00 44.78 O ATOM 1516 CB HIS B 81 -6.030 21.372 15.246 1.00 45.65 C ATOM 1517 CG HIS B 81 -6.502 21.086 13.877 1.00 48.36 C ATOM 1518 ND1 HIS B 81 -5.741 20.571 12.821 1.00 49.79 N ATOM 1519 CD2 HIS B 81 -7.783 21.235 13.391 1.00 49.04 C ATOM 1520 CE1 HIS B 81 -6.505 20.698 11.749 1.00 50.72 C ATOM 1521 NE2 HIS B 81 -7.750 20.884 12.056 1.00 50.73 N ATOM 1522 N LYS B 82 -6.453 23.507 17.342 1.00 47.15 N ATOM 1523 CA LYS B 82 -6.779 23.540 18.769 1.00 49.70 C ATOM 1524 C LYS B 82 -6.823 22.077 19.269 1.00 51.14 C ATOM 1525 O LYS B 82 -6.946 21.138 18.500 1.00 52.30 O ATOM 1526 CB LYS B 82 -8.245 24.043 18.891 1.00 51.40 C ATOM 1527 CG LYS B 82 -8.529 25.433 18.417 1.00 53.97 C ATOM 1528 CD LYS B 82 -7.530 26.469 18.841 1.00 57.00 C ATOM 1529 CE LYS B 82 -7.975 27.426 19.902 1.00 59.10 C ATOM 1530 NZ LYS B 82 -6.875 28.399 20.233 1.00 61.12 N ATOM 1531 N ALA B 83 -6.792 21.960 20.591 1.00 51.02 N ATOM 1532 CA ALA B 83 -6.870 20.566 21.149 1.00 50.83 C ATOM 1533 C ALA B 83 -8.145 20.438 21.944 1.00 51.98 C ATOM 1534 O ALA B 83 -9.113 21.172 21.741 1.00 53.22 O ATOM 1535 CB ALA B 83 -5.647 20.233 21.971 1.00 50.19 C ATOM 1536 N LYS B 84 -8.141 19.505 22.883 1.00 52.60 N ATOM 1537 CA LYS B 84 -9.326 19.324 23.698 1.00 52.50 C ATOM 1538 C LYS B 84 -9.183 20.050 25.017 1.00 52.65 C ATOM 1539 O LYS B 84 -10.043 19.975 25.885 1.00 52.91 O ATOM 1540 CB LYS B 84 -9.611 17.845 23.913 1.00 52.51 C ATOM 1541 CG LYS B 84 -11.089 17.527 23.936 1.00 52.65 C ATOM 1542 CD LYS B 84 -11.650 17.415 25.345 1.00 54.99 C ATOM 1543 CE LYS B 84 -10.781 16.528 26.235 1.00 55.93 C ATOM 1544 NZ LYS B 84 -9.566 17.257 26.715 1.00 55.60 N ATOM 1545 N ASN B 85 -8.074 20.754 25.160 1.00 53.16 N ATOM 1546 CA ASN B 85 -7.812 21.548 26.347 1.00 54.12 C ATOM 1547 C ASN B 85 -6.626 22.460 26.040 1.00 53.70 C ATOM 1548 O ASN B 85 -6.798 23.662 25.988 1.00 54.65 O ATOM 1549 CB ASN B 85 -7.545 20.645 27.559 1.00 55.73 C ATOM 1550 CG ASN B 85 -6.142 20.075 27.574 1.00 57.55 C ATOM 1551 OD1 ASN B 85 -5.183 20.767 27.926 1.00 57.84 O ATOM 1552 ND2 ASN B 85 -6.011 18.807 27.193 1.00 58.03 N ATOM 1553 N GLY B 86 -5.449 21.880 25.788 1.00 53.78 N ATOM 1554 CA GLY B 86 -4.256 22.654 25.464 1.00 53.09 C ATOM 1555 C GLY B 86 -4.400 23.136 24.035 1.00 52.75 C ATOM 1556 O GLY B 86 -4.596 22.322 23.127 1.00 52.21 O ATOM 1557 N LEU B 87 -4.283 24.451 23.841 1.00 52.67 N ATOM 1558 CA LEU B 87 -4.476 25.110 22.540 1.00 51.91 C ATOM 1559 C LEU B 87 -4.008 24.469 21.227 1.00 51.93 C ATOM 1560 O LEU B 87 -4.786 23.801 20.550 1.00 51.31 O ATOM 1561 CB LEU B 87 -3.962 26.561 22.629 1.00 51.63 C ATOM 1562 N SER B 88 -2.746 24.642 20.862 1.00 50.84 N ATOM 1563 CA SER B 88 -2.319 24.088 19.580 1.00 49.15 C ATOM 1564 C SER B 88 -1.610 22.734 19.565 1.00 47.97 C ATOM 1565 O SER B 88 -0.575 22.527 20.218 1.00 48.17 O ATOM 1566 CB SER B 88 -1.440 25.101 18.821 1.00 48.95 C ATOM 1567 OG SER B 88 -0.058 24.777 18.915 1.00 47.22 O ATOM 1568 N LYS B 89 -2.193 21.800 18.828 1.00 45.30 N ATOM 1569 CA LYS B 89 -1.584 20.492 18.672 1.00 43.32 C ATOM 1570 C LYS B 89 -0.944 20.482 17.291 1.00 41.96 C ATOM 1571 O LYS B 89 -1.376 21.194 16.375 1.00 40.51 O ATOM 1572 CB LYS B 89 -2.608 19.367 18.746 1.00 43.19 C ATOM 1573 CG LYS B 89 -1.942 17.994 18.775 1.00 43.01 C ATOM 1574 CD LYS B 89 -2.904 16.869 18.459 1.00 42.92 C ATOM 1575 CE LYS B 89 -4.055 16.835 19.433 1.00 42.70 C ATOM 1576 NZ LYS B 89 -3.534 16.862 20.812 1.00 43.22 N ATOM 1577 N MET B 90 0.107 19.684 17.158 1.00 41.58 N ATOM 1578 CA MET B 90 0.831 19.561 15.897 1.00 39.05 C ATOM 1579 C MET B 90 0.669 18.116 15.414 1.00 35.98 C ATOM 1580 O MET B 90 0.741 17.155 16.185 1.00 33.68 O ATOM 1581 CB MET B 90 2.304 19.926 16.117 1.00 40.54 C ATOM 1582 CG MET B 90 3.168 20.049 14.879 1.00 42.57 C ATOM 1583 SD MET B 90 4.384 21.418 15.048 1.00 45.71 S ATOM 1584 CE MET B 90 4.740 21.397 16.785 1.00 44.66 C ATOM 1585 N VAL B 91 0.423 17.992 14.123 1.00 33.55 N ATOM 1586 CA VAL B 91 0.204 16.707 13.528 1.00 32.49 C ATOM 1587 C VAL B 91 0.784 16.691 12.137 1.00 31.13 C ATOM 1588 O VAL B 91 0.544 17.591 11.342 1.00 32.44 O ATOM 1589 CB VAL B 91 -1.298 16.417 13.452 1.00 31.96 C ATOM 1590 CG1 VAL B 91 -1.897 16.401 14.873 1.00 32.67 C ATOM 1591 CG2 VAL B 91 -1.980 17.503 12.631 1.00 33.63 C ATOM 1592 N LEU B 92 1.550 15.651 11.858 1.00 28.54 N ATOM 1593 CA LEU B 92 2.149 15.468 10.562 1.00 25.57 C ATOM 1594 C LEU B 92 1.146 14.618 9.746 1.00 26.65 C ATOM 1595 O LEU B 92 0.720 13.577 10.187 1.00 27.45 O ATOM 1596 CB LEU B 92 3.488 14.762 10.764 1.00 26.55 C ATOM 1597 CG LEU B 92 4.464 14.236 9.696 1.00 27.38 C ATOM 1598 CD1 LEU B 92 4.045 12.848 9.301 1.00 27.32 C ATOM 1599 CD2 LEU B 92 4.571 15.177 8.482 1.00 26.14 C ATOM 1600 N HIS B 93 0.698 15.125 8.600 1.00 26.49 N ATOM 1601 CA HIS B 93 -0.201 14.388 7.709 1.00 25.77 C ATOM 1602 C HIS B 93 0.712 13.669 6.708 1.00 25.80 C ATOM 1603 O HIS B 93 1.331 14.305 5.870 1.00 26.27 O ATOM 1604 CB HIS B 93 -1.131 15.340 6.951 1.00 26.14 C ATOM 1605 CG HIS B 93 -2.074 16.093 7.833 1.00 26.20 C ATOM 1606 ND1 HIS B 93 -1.654 17.054 8.733 1.00 24.44 N ATOM 1607 CD2 HIS B 93 -3.425 16.034 7.939 1.00 25.58 C ATOM 1608 CE1 HIS B 93 -2.711 17.555 9.352 1.00 26.36 C ATOM 1609 NE2 HIS B 93 -3.797 16.953 8.889 1.00 25.68 N ATOM 1610 N ALA B 94 0.792 12.349 6.798 1.00 26.95 N ATOM 1611 CA ALA B 94 1.659 11.570 5.924 1.00 27.09 C ATOM 1612 C ALA B 94 1.155 11.439 4.504 1.00 27.83 C ATOM 1613 O ALA B 94 0.035 11.015 4.273 1.00 26.90 O ATOM 1614 CB ALA B 94 1.853 10.210 6.500 1.00 26.14 C ATOM 1615 N GLU B 95 1.969 11.827 3.558 1.00 29.26 N ATOM 1616 CA GLU B 95 1.594 11.659 2.159 1.00 31.67 C ATOM 1617 C GLU B 95 2.404 10.544 1.506 1.00 31.59 C ATOM 1618 O GLU B 95 2.217 10.151 0.380 1.00 30.47 O ATOM 1619 CB GLU B 95 1.803 12.968 1.394 1.00 35.44 C ATOM 1620 CG GLU B 95 1.161 14.180 2.050 1.00 41.12 C ATOM 1621 CD GLU B 95 2.054 15.404 2.014 1.00 43.50 C ATOM 1622 OE1 GLU B 95 3.219 15.280 1.579 1.00 44.47 O ATOM 1623 OE2 GLU B 95 1.592 16.491 2.421 1.00 46.64 O ATOM 1624 N GLN B 96 3.327 10.010 2.332 1.00 30.46 N ATOM 1625 CA GLN B 96 4.199 8.986 1.843 1.00 30.35 C ATOM 1626 C GLN B 96 4.877 8.261 2.982 1.00 30.64 C ATOM 1627 O GLN B 96 5.517 8.858 3.840 1.00 30.07 O ATOM 1628 CB GLN B 96 5.231 9.641 0.961 1.00 31.05 C ATOM 1629 CG GLN B 96 6.382 8.789 0.665 1.00 33.15 C ATOM 1630 CD GLN B 96 7.211 9.380 -0.417 1.00 34.19 C ATOM 1631 OE1 GLN B 96 8.354 9.774 -0.192 1.00 37.25 O ATOM 1632 NE2 GLN B 96 6.643 9.462 -1.612 1.00 34.54 N ATOM 1633 N ILE B 97 4.749 6.952 2.969 1.00 31.25 N ATOM 1634 CA ILE B 97 5.323 6.137 4.021 1.00 31.19 C ATOM 1635 C ILE B 97 6.488 5.293 3.519 1.00 30.48 C ATOM 1636 O ILE B 97 6.715 5.185 2.313 1.00 31.20 O ATOM 1637 CB ILE B 97 4.230 5.192 4.615 1.00 30.60 C ATOM 1638 CG1 ILE B 97 2.897 5.947 4.713 1.00 29.96 C ATOM 1639 CG2 ILE B 97 4.628 4.735 6.039 1.00 31.00 C ATOM 1640 CD1 ILE B 97 1.668 5.061 4.910 1.00 34.37 C ATOM 1641 N GLU B 98 7.250 4.746 4.457 1.00 30.03 N ATOM 1642 CA GLU B 98 8.348 3.856 4.128 1.00 29.41 C ATOM 1643 C GLU B 98 8.573 2.984 5.328 1.00 29.98 C ATOM 1644 O GLU B 98 8.935 3.479 6.409 1.00 29.29 O ATOM 1645 CB GLU B 98 9.655 4.599 3.794 1.00 28.84 C ATOM 1646 CG GLU B 98 10.924 3.674 3.850 1.00 27.41 C ATOM 1647 CD GLU B 98 12.208 4.307 3.298 1.00 27.03 C ATOM 1648 OE1 GLU B 98 12.198 4.639 2.097 1.00 27.72 O ATOM 1649 OE2 GLU B 98 13.218 4.460 4.039 1.00 26.66 O ATOM 1650 N LEU B 99 8.313 1.690 5.152 1.00 30.70 N ATOM 1651 CA LEU B 99 8.547 0.720 6.232 1.00 29.92 C ATOM 1652 C LEU B 99 10.023 0.359 6.091 1.00 29.85 C ATOM 1653 O LEU B 99 10.446 -0.261 5.104 1.00 28.09 O ATOM 1654 CB LEU B 99 7.685 -0.533 6.068 1.00 27.45 C ATOM 1655 CG LEU B 99 6.186 -0.276 5.934 1.00 26.57 C ATOM 1656 CD1 LEU B 99 5.461 -1.598 5.900 1.00 24.52 C ATOM 1657 CD2 LEU B 99 5.679 0.586 7.066 1.00 25.64 C ATOM 1658 N ILE B 100 10.787 0.772 7.039 1.00 30.25 N ATOM 1659 CA ILE B 100 12.221 0.527 6.935 1.00 33.44 C ATOM 1660 C ILE B 100 12.541 -0.949 7.142 1.00 33.64 C ATOM 1661 O ILE B 100 13.637 -1.451 6.842 1.00 34.32 O ATOM 1662 CB ILE B 100 13.028 1.603 7.691 1.00 35.22 C ATOM 1663 CG1 ILE B 100 13.210 1.193 9.152 1.00 36.85 C ATOM 1664 CG2 ILE B 100 12.323 2.946 7.600 1.00 37.92 C ATOM 1665 CD1 ILE B 100 14.589 0.656 9.470 1.00 37.33 C ATOM 1666 N ASP B 101 11.487 -1.754 7.483 1.00 33.43 N ATOM 1667 CA ASP B 101 11.530 -3.215 7.608 1.00 32.02 C ATOM 1668 C ASP B 101 11.762 -3.812 6.216 1.00 30.76 C ATOM 1669 O ASP B 101 12.509 -4.782 6.043 1.00 30.60 O ATOM 1670 CB ASP B 101 10.205 -3.730 8.173 1.00 32.88 C ATOM 1671 N SER B 102 11.106 -3.229 5.224 1.00 30.02 N ATOM 1672 CA SER B 102 11.266 -3.677 3.851 1.00 28.32 C ATOM 1673 C SER B 102 12.627 -3.216 3.348 1.00 27.99 C ATOM 1674 O SER B 102 13.160 -3.752 2.376 1.00 29.20 O ATOM 1675 CB SER B 102 10.150 -3.103 2.988 1.00 27.29 C ATOM 1676 OG SER B 102 8.885 -3.533 3.475 1.00 28.76 O ATOM 1677 N VAL B 103 13.204 -2.226 4.011 1.00 28.02 N ATOM 1678 CA VAL B 103 14.505 -1.776 3.572 1.00 28.18 C ATOM 1679 C VAL B 103 15.473 -2.891 3.945 1.00 28.48 C ATOM 1680 O VAL B 103 16.235 -3.374 3.113 1.00 28.94 O ATOM 1681 CB VAL B 103 14.899 -0.428 4.251 1.00 27.98 C ATOM 1682 CG1 VAL B 103 16.336 -0.015 3.877 1.00 25.07 C ATOM 1683 CG2 VAL B 103 13.910 0.655 3.821 1.00 27.74 C ATOM 1684 N ASP B 104 15.446 -3.292 5.209 1.00 28.45 N ATOM 1685 CA ASP B 104 16.301 -4.372 5.704 1.00 27.64 C ATOM 1686 C ASP B 104 16.003 -5.635 4.895 1.00 26.78 C ATOM 1687 O ASP B 104 16.928 -6.310 4.426 1.00 27.41 O ATOM 1688 CB ASP B 104 15.983 -4.620 7.161 1.00 28.83 C ATOM 1689 CG ASP B 104 16.108 -3.381 7.967 1.00 29.64 C ATOM 1690 OD1 ASP B 104 15.592 -3.343 9.112 1.00 29.39 O ATOM 1691 OD2 ASP B 104 16.744 -2.450 7.419 1.00 30.34 O ATOM 1692 N LYS B 105 14.711 -5.952 4.758 1.00 24.00 N ATOM 1693 CA LYS B 105 14.253 -7.103 3.973 1.00 23.32 C ATOM 1694 C LYS B 105 14.820 -7.082 2.557 1.00 24.81 C ATOM 1695 O LYS B 105 15.006 -8.123 1.960 1.00 27.46 O ATOM 1696 CB LYS B 105 12.729 -7.130 3.895 1.00 20.17 C ATOM 1697 N LEU B 106 15.082 -5.910 2.001 1.00 25.46 N ATOM 1698 CA LEU B 106 15.626 -5.851 0.648 1.00 26.09 C ATOM 1699 C LEU B 106 17.158 -5.881 0.607 1.00 25.23 C ATOM 1700 O LEU B 106 17.769 -6.349 -0.374 1.00 24.77 O ATOM 1701 CB LEU B 106 15.151 -4.583 -0.068 1.00 26.63 C ATOM 1702 CG LEU B 106 15.856 -4.394 -1.417 1.00 26.01 C ATOM 1703 CD1 LEU B 106 15.666 -5.653 -2.318 1.00 22.66 C ATOM 1704 CD2 LEU B 106 15.320 -3.143 -2.070 1.00 22.54 C ATOM 1705 N ALA B 107 17.771 -5.351 1.655 1.00 22.97 N ATOM 1706 CA ALA B 107 19.210 -5.312 1.717 1.00 21.87 C ATOM 1707 C ALA B 107 19.746 -6.717 1.967 1.00 20.69 C ATOM 1708 O ALA B 107 20.795 -7.092 1.456 1.00 19.67 O ATOM 1709 CB ALA B 107 19.637 -4.378 2.819 1.00 20.13 C ATOM 1710 N ALA B 108 18.992 -7.466 2.765 1.00 22.00 N ATOM 1711 CA ALA B 108 19.288 -8.840 3.176 1.00 22.82 C ATOM 1712 C ALA B 108 19.246 -9.838 2.023 1.00 23.58 C ATOM 1713 O ALA B 108 20.182 -10.634 1.844 1.00 23.96 O ATOM 1714 CB ALA B 108 18.289 -9.267 4.239 1.00 22.91 C ATOM 1715 N ALA B 109 18.140 -9.784 1.274 1.00 24.26 N ATOM 1716 CA ALA B 109 17.880 -10.627 0.122 1.00 25.48 C ATOM 1717 C ALA B 109 18.960 -10.431 -0.898 1.00 27.57 C ATOM 1718 O ALA B 109 19.107 -11.234 -1.807 1.00 28.05 O ATOM 1719 CB ALA B 109 16.556 -10.277 -0.476 1.00 23.86 C ATOM 1720 N LEU B 110 19.705 -9.344 -0.752 1.00 29.79 N ATOM 1721 CA LEU B 110 20.805 -9.033 -1.657 1.00 32.59 C ATOM 1722 C LEU B 110 22.073 -9.685 -1.101 1.00 34.59 C ATOM 1723 O LEU B 110 22.818 -10.374 -1.817 1.00 34.99 O ATOM 1724 CB LEU B 110 20.998 -7.497 -1.763 1.00 32.40 C ATOM 1725 N GLU B 111 22.312 -9.453 0.183 1.00 36.43 N ATOM 1726 CA GLU B 111 23.488 -9.990 0.834 1.00 40.19 C ATOM 1727 C GLU B 111 23.426 -11.504 0.855 1.00 42.19 C ATOM 1728 O GLU B 111 24.461 -12.159 0.916 1.00 43.78 O ATOM 1729 CB GLU B 111 23.593 -9.476 2.277 1.00 40.01 C ATOM 1730 CG GLU B 111 23.903 -7.981 2.427 1.00 40.30 C ATOM 1731 CD GLU B 111 25.382 -7.658 2.293 1.00 39.34 C ATOM 1732 OE1 GLU B 111 26.202 -8.304 2.981 1.00 40.62 O ATOM 1733 OE2 GLU B 111 25.727 -6.745 1.513 1.00 39.32 O ATOM 1734 N HIS B 112 22.227 -12.071 0.777 1.00 43.95 N ATOM 1735 CA HIS B 112 22.111 -13.525 0.859 1.00 45.45 C ATOM 1736 C HIS B 112 21.428 -14.354 -0.252 1.00 47.45 C ATOM 1737 O HIS B 112 20.908 -15.436 0.041 1.00 45.93 O ATOM 1738 CB HIS B 112 21.441 -13.896 2.186 1.00 45.14 C ATOM 1739 CG HIS B 112 22.157 -13.397 3.402 1.00 44.54 C ATOM 1740 ND1 HIS B 112 21.677 -12.358 4.169 1.00 45.13 N ATOM 1741 CD2 HIS B 112 23.305 -13.801 3.994 1.00 44.82 C ATOM 1742 CE1 HIS B 112 22.497 -12.144 5.184 1.00 44.98 C ATOM 1743 NE2 HIS B 112 23.492 -13.008 5.101 1.00 44.70 N ATOM 1744 N HIS B 113 21.431 -13.904 -1.506 1.00 50.09 N ATOM 1745 CA HIS B 113 20.783 -14.716 -2.539 1.00 52.38 C ATOM 1746 C HIS B 113 21.666 -15.568 -3.468 1.00 53.50 C ATOM 1747 O HIS B 113 21.601 -15.455 -4.694 1.00 52.35 O ATOM 1748 CB HIS B 113 19.791 -13.878 -3.371 1.00 53.57 C ATOM 1749 CG HIS B 113 20.430 -12.983 -4.391 1.00 54.09 C ATOM 1750 ND1 HIS B 113 19.768 -12.562 -5.526 1.00 52.45 N ATOM 1751 CD2 HIS B 113 21.661 -12.419 -4.440 1.00 53.93 C ATOM 1752 CE1 HIS B 113 20.565 -11.777 -6.230 1.00 53.19 C ATOM 1753 NE2 HIS B 113 21.718 -11.673 -5.593 1.00 54.20 N ATOM 1754 N HIS B 114 22.467 -16.428 -2.831 1.00 54.92 N ATOM 1755 CA HIS B 114 23.389 -17.415 -3.425 1.00 55.63 C ATOM 1756 C HIS B 114 23.419 -17.585 -4.936 1.00 55.81 C ATOM 1757 O HIS B 114 24.326 -16.998 -5.559 1.00 55.46 O ATOM 1758 CB HIS B 114 23.082 -18.765 -2.795 1.00 57.04 C ATOM 1759 CG HIS B 114 24.255 -19.690 -2.707 1.00 59.00 C ATOM 1760 ND1 HIS B 114 24.538 -20.632 -3.673 1.00 59.81 N ATOM 1761 CD2 HIS B 114 25.170 -19.870 -1.725 1.00 59.05 C ATOM 1762 CE1 HIS B 114 25.571 -21.360 -3.283 1.00 60.32 C ATOM 1763 NE2 HIS B 114 25.973 -20.918 -2.103 1.00 59.72 N ATOM 1764 N HIS B 115 22.526 -18.278 -5.464 1.00 55.88 N TER 1765 HIS B 115 ATOM 1766 O5' DT C 1 27.978 19.617 32.346 0.70 58.56 O ATOM 1767 C5' DT C 1 26.955 19.642 33.357 0.70 58.03 C ATOM 1768 C4' DT C 1 25.616 20.004 32.754 0.70 57.85 C ATOM 1769 O4' DT C 1 25.792 20.851 31.581 0.70 57.33 O ATOM 1770 C3' DT C 1 24.774 18.810 32.291 0.70 58.28 C ATOM 1771 O3' DT C 1 23.453 18.846 32.858 0.70 59.34 O ATOM 1772 C2' DT C 1 24.766 18.915 30.775 0.70 57.98 C ATOM 1773 C1' DT C 1 24.915 20.404 30.556 0.70 56.64 C ATOM 1774 N1 DT C 1 25.453 20.779 29.229 0.70 55.88 N ATOM 1775 C2 DT C 1 24.525 20.983 28.237 0.70 55.41 C ATOM 1776 C7 DT C 1 28.769 21.315 27.501 0.70 56.37 C ATOM 1777 O2 DT C 1 23.325 20.902 28.431 0.70 56.33 O ATOM 1778 N3 DT C 1 25.049 21.287 27.008 0.70 55.23 N ATOM 1779 C4 DT C 1 26.378 21.408 26.678 0.70 55.74 C ATOM 1780 C5 DT C 1 27.303 21.197 27.768 0.70 56.02 C ATOM 1781 C6 DT C 1 26.801 20.901 28.977 0.70 56.17 C ATOM 1782 O4 DT C 1 26.699 21.678 25.523 0.70 55.33 O ATOM 1783 P DT C 2 22.656 20.241 32.966 0.70 61.20 P ATOM 1784 OP1 DT C 2 22.735 21.017 31.697 0.70 60.86 O ATOM 1785 OP2 DT C 2 23.120 20.862 34.239 0.70 61.18 O ATOM 1786 O5' DT C 2 21.130 19.819 33.140 0.70 58.32 O ATOM 1787 C5' DT C 2 20.391 19.244 32.062 0.70 55.34 C ATOM 1788 C4' DT C 2 20.088 17.800 32.378 0.70 53.18 C ATOM 1789 O4' DT C 2 20.314 17.585 33.785 0.70 51.57 O ATOM 1790 C3' DT C 2 18.649 17.378 32.119 0.70 52.47 C ATOM 1791 O3' DT C 2 18.605 15.973 31.894 0.70 52.60 O ATOM 1792 C2' DT C 2 17.983 17.665 33.450 0.70 51.40 C ATOM 1793 C1' DT C 2 19.087 17.346 34.456 0.70 50.40 C ATOM 1794 N1 DT C 2 19.073 18.211 35.652 0.70 49.22 N ATOM 1795 C2 DT C 2 20.264 18.431 36.318 0.70 47.92 C ATOM 1796 O2 DT C 2 21.320 17.918 35.990 0.70 47.47 O ATOM 1797 N3 DT C 2 20.171 19.284 37.388 0.70 47.08 N ATOM 1798 C4 DT C 2 19.035 19.917 37.855 0.70 47.31 C ATOM 1799 C5 DT C 2 17.816 19.623 37.121 0.70 47.62 C ATOM 1800 C6 DT C 2 17.898 18.796 36.075 0.70 48.35 C ATOM 1801 O4 DT C 2 19.112 20.662 38.828 0.70 46.67 O ATOM 1802 C7 DT C 2 16.529 20.246 37.560 0.70 47.11 C ATOM 1803 P DT C 3 18.988 15.378 30.457 0.70 53.62 P ATOM 1804 OP1 DT C 3 18.250 14.098 30.348 0.70 53.92 O ATOM 1805 OP2 DT C 3 20.471 15.385 30.337 0.70 53.97 O ATOM 1806 O5' DT C 3 18.391 16.399 29.383 0.70 53.70 O ATOM 1807 C5' DT C 3 17.871 15.908 28.146 0.70 54.34 C ATOM 1808 C4' DT C 3 17.542 17.035 27.192 0.70 55.72 C ATOM 1809 O4' DT C 3 16.864 16.418 26.080 0.70 55.96 O ATOM 1810 C3' DT C 3 16.561 18.086 27.708 0.70 56.27 C ATOM 1811 O3' DT C 3 16.692 19.303 26.947 0.70 56.56 O ATOM 1812 C2' DT C 3 15.214 17.427 27.463 0.70 56.01 C ATOM 1813 C1' DT C 3 15.456 16.518 26.253 0.70 56.52 C ATOM 1814 N1 DT C 3 14.943 15.129 26.362 0.70 57.79 N ATOM 1815 C2 DT C 3 13.942 14.805 27.270 0.70 57.99 C ATOM 1816 O2 DT C 3 13.427 15.602 28.034 0.70 57.00 O ATOM 1817 N3 DT C 3 13.565 13.485 27.250 0.70 58.75 N ATOM 1818 C4 DT C 3 14.069 12.477 26.451 0.70 58.54 C ATOM 1819 C5 DT C 3 15.116 12.880 25.535 0.70 58.88 C ATOM 1820 C6 DT C 3 15.490 14.167 25.536 0.70 58.42 C ATOM 1821 O4 DT C 3 13.620 11.338 26.553 0.70 58.27 O ATOM 1822 C7 DT C 3 15.734 11.856 24.635 0.70 59.86 C ATOM 1823 P DT C 4 17.167 20.669 27.667 0.70 57.12 P ATOM 1824 OP1 DT C 4 16.784 20.617 29.102 0.70 57.27 O ATOM 1825 OP2 DT C 4 16.693 21.798 26.823 0.70 56.57 O ATOM 1826 O5' DT C 4 18.760 20.633 27.579 0.70 56.50 O ATOM 1827 C5' DT C 4 19.528 21.835 27.458 0.70 56.57 C ATOM 1828 C4' DT C 4 19.174 22.804 28.564 0.70 57.63 C ATOM 1829 O4' DT C 4 20.383 23.229 29.239 0.70 57.20 O ATOM 1830 C3' DT C 4 18.477 24.080 28.083 0.70 58.45 C ATOM 1831 O3' DT C 4 17.430 24.496 28.982 0.70 58.93 O ATOM 1832 C2' DT C 4 19.607 25.092 28.019 0.70 58.35 C ATOM 1833 C1' DT C 4 20.548 24.632 29.127 0.70 58.37 C ATOM 1834 N1 DT C 4 21.988 24.898 28.903 0.70 58.85 N ATOM 1835 C2 DT C 4 22.506 24.800 27.625 0.70 58.94 C ATOM 1836 O2 DT C 4 21.834 24.520 26.646 0.70 60.10 O ATOM 1837 N3 DT C 4 23.854 25.039 27.534 0.70 58.61 N ATOM 1838 C4 DT C 4 24.721 25.354 28.563 0.70 58.79 C ATOM 1839 C5 DT C 4 24.108 25.462 29.875 0.70 58.94 C ATOM 1840 C6 DT C 4 22.791 25.230 29.974 0.70 59.05 C ATOM 1841 O4 DT C 4 25.920 25.509 28.326 0.70 59.07 O ATOM 1842 C7 DT C 4 24.958 25.827 31.053 0.70 58.70 C ATOM 1843 P DT C 5 16.329 25.566 28.485 0.70 59.02 P ATOM 1844 OP1 DT C 5 16.375 25.589 27.001 0.70 59.28 O ATOM 1845 OP2 DT C 5 16.560 26.825 29.244 0.70 57.63 O ATOM 1846 O5' DT C 5 14.909 24.954 28.893 0.70 59.59 O ATOM 1847 C5' DT C 5 14.580 24.591 30.247 0.70 60.68 C ATOM 1848 C4' DT C 5 13.099 24.796 30.483 0.70 61.46 C ATOM 1849 O4' DT C 5 12.474 23.704 31.205 0.70 62.25 O ATOM 1850 C3' DT C 5 12.671 26.080 31.202 0.70 61.23 C ATOM 1851 O3' DT C 5 11.545 26.627 30.508 0.70 61.40 O ATOM 1852 C2' DT C 5 12.206 25.569 32.558 0.70 61.31 C ATOM 1853 C1' DT C 5 11.565 24.263 32.138 0.70 62.03 C ATOM 1854 N1 DT C 5 11.269 23.252 33.178 0.70 63.03 N ATOM 1855 C2 DT C 5 10.574 23.631 34.311 0.70 63.49 C ATOM 1856 O2 DT C 5 10.231 24.779 34.534 0.70 64.80 O ATOM 1857 N3 DT C 5 10.287 22.602 35.178 0.70 64.19 N ATOM 1858 C4 DT C 5 10.614 21.261 35.031 0.70 64.58 C ATOM 1859 C5 DT C 5 11.366 20.944 33.834 0.70 64.34 C ATOM 1860 C6 DT C 5 11.657 21.943 32.988 0.70 64.06 C ATOM 1861 O4 DT C 5 10.258 20.436 35.882 0.70 63.94 O ATOM 1862 C7 DT C 5 11.777 19.525 33.591 0.70 64.94 C ATOM 1863 P DT C 6 11.006 28.096 30.873 0.70 60.88 P ATOM 1864 OP1 DT C 6 11.244 28.348 32.313 0.70 61.33 O ATOM 1865 OP2 DT C 6 9.623 28.169 30.340 0.70 60.93 O ATOM 1866 O5' DT C 6 11.930 29.078 30.024 0.70 61.11 O ATOM 1867 C5' DT C 6 11.355 30.164 29.296 0.70 60.46 C ATOM 1868 C4' DT C 6 11.616 29.996 27.817 0.70 60.39 C ATOM 1869 O4' DT C 6 12.550 30.991 27.345 0.70 61.31 O ATOM 1870 C3' DT C 6 12.198 28.636 27.440 0.70 60.41 C ATOM 1871 O3' DT C 6 11.652 28.188 26.190 0.70 57.94 O ATOM 1872 C2' DT C 6 13.696 28.912 27.372 0.70 60.94 C ATOM 1873 C1' DT C 6 13.805 30.407 27.034 0.70 61.81 C ATOM 1874 N1 DT C 6 14.800 31.132 27.842 0.70 62.52 N ATOM 1875 C2 DT C 6 16.093 31.283 27.391 0.70 62.68 C ATOM 1876 O2 DT C 6 16.491 30.831 26.330 0.70 61.25 O ATOM 1877 N3 DT C 6 16.913 31.989 28.244 0.70 63.56 N ATOM 1878 C4 DT C 6 16.572 32.537 29.476 0.70 63.76 C ATOM 1879 C5 DT C 6 15.204 32.331 29.879 0.70 63.89 C ATOM 1880 C6 DT C 6 14.400 31.654 29.054 0.70 63.46 C ATOM 1881 O4 DT C 6 17.410 33.143 30.137 0.70 62.99 O ATOM 1882 C7 DT C 6 14.744 32.876 31.193 0.70 63.75 C ATOM 1883 P DT C 7 10.058 27.982 26.041 0.70 56.84 P ATOM 1884 OP1 DT C 7 9.512 27.412 27.294 0.70 56.65 O ATOM 1885 OP2 DT C 7 9.776 27.316 24.747 0.70 55.81 O ATOM 1886 O5' DT C 7 9.491 29.465 25.915 0.70 55.67 O ATOM 1887 C5' DT C 7 8.526 29.984 26.833 0.70 52.34 C ATOM 1888 C4' DT C 7 8.001 31.297 26.306 0.70 50.69 C ATOM 1889 O4' DT C 7 7.282 31.025 25.081 0.70 49.89 O ATOM 1890 C3' DT C 7 7.042 32.078 27.206 0.70 49.76 C ATOM 1891 O3' DT C 7 7.337 33.482 27.108 0.70 49.66 O ATOM 1892 C2' DT C 7 5.685 31.794 26.589 0.70 49.36 C ATOM 1893 C1' DT C 7 6.040 31.695 25.117 0.70 49.62 C ATOM 1894 N1 DT C 7 5.078 30.968 24.247 0.70 50.18 N ATOM 1895 C2 DT C 7 5.465 30.591 22.963 0.70 49.66 C ATOM 1896 O2 DT C 7 6.601 30.721 22.526 0.70 49.06 O ATOM 1897 N3 DT C 7 4.457 30.041 22.206 0.70 48.46 N ATOM 1898 C4 DT C 7 3.149 29.810 22.593 0.70 48.82 C ATOM 1899 C5 DT C 7 2.838 30.147 23.962 0.70 49.92 C ATOM 1900 C6 DT C 7 3.801 30.708 24.708 0.70 50.70 C ATOM 1901 O4 DT C 7 2.342 29.370 21.785 0.70 48.63 O ATOM 1902 C7 DT C 7 1.469 29.852 24.487 0.70 49.99 C ATOM 1903 P DT C 8 8.031 34.249 28.349 0.70 50.83 P ATOM 1904 OP1 DT C 8 9.474 33.872 28.370 0.70 49.30 O ATOM 1905 OP2 DT C 8 7.196 34.019 29.560 0.70 50.47 O ATOM 1906 O5' DT C 8 7.893 35.804 27.990 0.70 51.44 O ATOM 1907 C5' DT C 8 7.173 36.694 28.861 0.70 51.90 C ATOM 1908 C4' DT C 8 7.300 38.136 28.413 0.70 51.47 C ATOM 1909 O4' DT C 8 8.691 38.422 28.149 0.70 51.29 O ATOM 1910 C3' DT C 8 6.542 38.573 27.158 0.70 51.38 C ATOM 1911 O3' DT C 8 6.090 39.936 27.333 0.70 51.72 O ATOM 1912 C2' DT C 8 7.578 38.414 26.061 0.70 51.09 C ATOM 1913 C1' DT C 8 8.910 38.665 26.767 0.70 50.55 C ATOM 1914 N1 DT C 8 10.006 37.769 26.357 0.70 49.56 N ATOM 1915 C2 DT C 8 10.021 37.218 25.088 0.70 49.88 C ATOM 1916 O2 DT C 8 9.189 37.474 24.227 0.70 48.61 O ATOM 1917 N3 DT C 8 11.062 36.345 24.862 0.70 49.93 N ATOM 1918 C4 DT C 8 12.068 35.986 25.751 0.70 50.34 C ATOM 1919 C5 DT C 8 12.005 36.628 27.040 0.70 50.39 C ATOM 1920 C6 DT C 8 10.995 37.476 27.273 0.70 50.04 C ATOM 1921 O4 DT C 8 12.927 35.168 25.418 0.70 49.35 O ATOM 1922 C7 DT C 8 13.062 36.321 28.053 0.70 50.15 C ATOM 1923 P DT C 9 5.826 40.896 26.054 0.70 51.99 P ATOM 1924 OP1 DT C 9 5.242 40.107 24.930 0.70 52.07 O ATOM 1925 OP2 DT C 9 7.057 41.700 25.827 0.70 50.58 O ATOM 1926 O5' DT C 9 4.689 41.902 26.547 0.70 51.82 O ATOM 1927 C5' DT C 9 3.821 42.567 25.617 0.70 52.41 C ATOM 1928 C4' DT C 9 2.381 42.435 26.065 0.70 52.66 C ATOM 1929 O4' DT C 9 1.835 43.768 26.224 0.70 50.99 O ATOM 1930 C3' DT C 9 1.472 41.688 25.082 0.70 54.32 C ATOM 1931 O3' DT C 9 0.826 40.539 25.631 0.70 56.21 O ATOM 1932 C2' DT C 9 0.439 42.702 24.623 0.70 53.60 C ATOM 1933 C1' DT C 9 0.653 43.962 25.453 0.70 51.69 C ATOM 1934 N1 DT C 9 0.887 45.096 24.519 0.70 50.92 N ATOM 1935 C2 DT C 9 0.488 46.388 24.827 0.70 49.73 C ATOM 1936 O2 DT C 9 -0.023 46.711 25.895 0.70 48.04 O ATOM 1937 N3 DT C 9 0.716 47.300 23.816 0.70 48.67 N ATOM 1938 C4 DT C 9 1.288 47.059 22.576 0.70 47.91 C ATOM 1939 C5 DT C 9 1.697 45.701 22.341 0.70 48.70 C ATOM 1940 C6 DT C 9 1.490 44.808 23.309 0.70 49.53 C ATOM 1941 O4 DT C 9 1.414 47.971 21.770 0.70 46.96 O ATOM 1942 C7 DT C 9 2.323 45.344 21.030 0.70 48.24 C ATOM 1943 P DT C 10 0.634 39.238 24.701 0.70 57.30 P ATOM 1944 OP1 DT C 10 1.091 38.039 25.458 0.70 57.39 O ATOM 1945 OP2 DT C 10 1.265 39.568 23.389 0.70 56.67 O ATOM 1946 O5' DT C 10 -0.942 39.134 24.478 0.70 57.74 O ATOM 1947 C5' DT C 10 -1.838 39.768 25.382 0.70 58.92 C ATOM 1948 C4' DT C 10 -3.225 39.171 25.290 0.70 59.79 C ATOM 1949 O4' DT C 10 -3.964 39.740 26.391 0.70 59.58 O ATOM 1950 C3' DT C 10 -4.023 39.518 24.028 0.70 60.32 C ATOM 1951 O3' DT C 10 -5.021 38.516 23.745 0.70 60.63 O ATOM 1952 C2' DT C 10 -4.699 40.823 24.404 0.70 60.42 C ATOM 1953 C1' DT C 10 -4.865 40.734 25.923 0.70 61.28 C ATOM 1954 N1 DT C 10 -4.570 42.001 26.653 0.70 62.36 N ATOM 1955 C2 DT C 10 -3.581 42.840 26.161 0.70 62.87 C ATOM 1956 O2 DT C 10 -2.871 42.567 25.202 0.70 63.50 O ATOM 1957 N3 DT C 10 -3.446 44.021 26.844 0.70 63.31 N ATOM 1958 C4 DT C 10 -4.154 44.435 27.955 0.70 63.75 C ATOM 1959 C5 DT C 10 -5.118 43.485 28.460 0.70 63.27 C ATOM 1960 C6 DT C 10 -5.288 42.337 27.786 0.70 62.66 C ATOM 1961 O4 DT C 10 -3.948 45.551 28.433 0.70 64.94 O ATOM 1962 C7 DT C 10 -5.864 43.817 29.713 0.70 62.96 C ATOM 1963 P DT C 11 -5.149 37.872 22.261 0.70 61.14 P ATOM 1964 OP1 DT C 11 -4.155 38.491 21.352 0.70 61.92 O ATOM 1965 OP2 DT C 11 -6.590 37.892 21.887 0.70 59.81 O ATOM 1966 O5' DT C 11 -4.732 36.348 22.495 0.70 61.94 O ATOM 1967 C5' DT C 11 -3.442 35.845 22.124 0.70 63.62 C ATOM 1968 C4' DT C 11 -2.421 36.165 23.192 0.70 64.85 C ATOM 1969 O4' DT C 11 -3.091 35.972 24.459 0.70 65.55 O ATOM 1970 C3' DT C 11 -1.225 35.210 23.215 0.70 66.16 C ATOM 1971 O3' DT C 11 -0.013 35.705 22.671 0.70 67.90 O ATOM 1972 C2' DT C 11 -1.057 34.820 24.672 0.70 66.24 C ATOM 1973 C1' DT C 11 -2.455 34.952 25.225 0.70 65.53 C ATOM 1974 N1 DT C 11 -3.101 33.666 24.892 0.70 65.36 N ATOM 1975 C2 DT C 11 -4.383 33.617 24.388 0.70 65.08 C ATOM 1976 O2 DT C 11 -5.102 34.595 24.276 0.70 64.80 O ATOM 1977 N3 DT C 11 -4.794 32.358 24.011 0.70 65.20 N ATOM 1978 C4 DT C 11 -4.072 31.176 24.096 0.70 65.70 C ATOM 1979 C5 DT C 11 -2.760 31.300 24.680 0.70 65.70 C ATOM 1980 C6 DT C 11 -2.354 32.515 25.052 0.70 65.53 C ATOM 1981 O4 DT C 11 -4.558 30.124 23.680 0.70 65.97 O ATOM 1982 C7 DT C 11 -1.914 30.079 24.842 0.70 65.39 C ATOM 1983 P DT C 12 0.699 34.841 21.515 0.70 69.87 P ATOM 1984 OP1 DT C 12 -0.137 33.615 21.330 0.70 68.88 O ATOM 1985 OP2 DT C 12 2.143 34.695 21.834 0.70 69.61 O ATOM 1986 O5' DT C 12 0.524 35.744 20.210 0.70 68.70 O ATOM 1987 C5' DT C 12 0.136 35.157 18.961 0.70 66.76 C ATOM 1988 C4' DT C 12 -1.364 34.964 18.914 0.70 65.20 C ATOM 1989 O4' DT C 12 -1.969 35.943 18.020 0.70 64.97 O ATOM 1990 C3' DT C 12 -1.790 33.589 18.389 0.70 64.13 C ATOM 1991 O3' DT C 12 -2.906 33.071 19.121 0.70 64.43 O ATOM 1992 C2' DT C 12 -2.224 33.874 16.968 0.70 63.88 C ATOM 1993 C1' DT C 12 -2.812 35.265 17.103 0.70 64.19 C ATOM 1994 N1 DT C 12 -2.921 36.060 15.852 0.70 63.58 N ATOM 1995 C2 DT C 12 -2.268 35.620 14.717 0.70 63.55 C ATOM 1996 O2 DT C 12 -1.532 34.645 14.695 0.70 62.95 O ATOM 1997 N3 DT C 12 -2.504 36.375 13.595 0.70 63.58 N ATOM 1998 C4 DT C 12 -3.284 37.504 13.496 0.70 63.17 C ATOM 1999 C5 DT C 12 -3.901 37.936 14.721 0.70 63.23 C ATOM 2000 C6 DT C 12 -3.694 37.203 15.826 0.70 63.23 C ATOM 2001 O4 DT C 12 -3.414 38.061 12.414 0.70 64.08 O ATOM 2002 C7 DT C 12 -4.738 39.176 14.706 0.70 63.13 C ATOM 2003 P DT C 13 -3.238 31.496 19.054 0.70 65.15 P ATOM 2004 OP1 DT C 13 -3.754 31.078 20.391 0.70 65.36 O ATOM 2005 OP2 DT C 13 -2.032 30.832 18.496 0.70 64.06 O ATOM 2006 O5' DT C 13 -4.431 31.371 17.993 0.70 63.75 O ATOM 2007 C5' DT C 13 -4.177 31.319 16.576 0.70 61.19 C ATOM 2008 C4' DT C 13 -5.398 31.773 15.809 0.70 59.02 C ATOM 2009 O4' DT C 13 -5.038 32.157 14.458 0.70 57.57 O ATOM 2010 C3' DT C 13 -6.547 30.762 15.675 0.70 59.61 C ATOM 2011 O3' DT C 13 -7.810 31.367 16.016 0.70 61.36 O ATOM 2012 C2' DT C 13 -6.537 30.421 14.189 0.70 58.76 C ATOM 2013 C1' DT C 13 -6.087 31.744 13.604 0.70 56.77 C ATOM 2014 N1 DT C 13 -5.622 31.810 12.186 0.70 55.03 N ATOM 2015 C2 DT C 13 -6.387 31.209 11.198 0.70 54.68 C ATOM 2016 O2 DT C 13 -7.399 30.565 11.427 0.70 54.36 O ATOM 2017 N3 DT C 13 -5.919 31.395 9.916 0.70 54.59 N ATOM 2018 C4 DT C 13 -4.793 32.102 9.526 0.70 54.40 C ATOM 2019 C5 DT C 13 -4.031 32.686 10.611 0.70 53.40 C ATOM 2020 C6 DT C 13 -4.470 32.501 11.865 0.70 54.14 C ATOM 2021 O4 DT C 13 -4.511 32.196 8.327 0.70 53.37 O ATOM 2022 C7 DT C 13 -2.802 33.473 10.290 0.70 51.91 C ATOM 2023 P DT C 14 -8.684 30.769 17.241 0.70 64.37 P ATOM 2024 OP1 DT C 14 -8.190 31.412 18.490 0.70 64.02 O ATOM 2025 OP2 DT C 14 -8.737 29.285 17.153 0.70 63.95 O ATOM 2026 O5' DT C 14 -10.161 31.320 16.999 0.70 64.37 O ATOM 2027 C5' DT C 14 -10.672 31.532 15.686 0.70 63.99 C ATOM 2028 C4' DT C 14 -10.970 33.000 15.491 0.70 63.46 C ATOM 2029 O4' DT C 14 -11.981 33.403 16.448 0.70 63.09 O ATOM 2030 C3' DT C 14 -9.756 33.882 15.762 0.70 63.02 C ATOM 2031 O3' DT C 14 -9.708 34.989 14.860 0.70 61.92 O ATOM 2032 C2' DT C 14 -9.937 34.315 17.206 0.70 63.31 C ATOM 2033 C1' DT C 14 -11.448 34.305 17.406 0.70 63.84 C ATOM 2034 N1 DT C 14 -11.858 33.829 18.747 0.70 64.54 N ATOM 2035 C2 DT C 14 -12.978 34.378 19.339 0.70 65.38 C ATOM 2036 O2 DT C 14 -13.671 35.230 18.806 0.70 65.67 O ATOM 2037 N3 DT C 14 -13.265 33.878 20.586 0.70 65.61 N ATOM 2038 C4 DT C 14 -12.571 32.904 21.277 0.70 65.14 C ATOM 2039 C5 DT C 14 -11.420 32.369 20.595 0.70 64.55 C ATOM 2040 C6 DT C 14 -11.123 32.853 19.384 0.70 64.48 C ATOM 2041 O4 DT C 14 -12.952 32.557 22.393 0.70 66.61 O ATOM 2042 C7 DT C 14 -10.616 31.300 21.263 0.70 64.12 C ATOM 2043 P DT C 15 -8.302 35.710 14.571 0.70 62.03 P ATOM 2044 OP1 DT C 15 -8.178 35.950 13.112 0.70 62.64 O ATOM 2045 OP2 DT C 15 -7.254 34.937 15.277 0.70 60.81 O ATOM 2046 O5' DT C 15 -8.429 37.115 15.306 0.70 60.61 O ATOM 2047 C5' DT C 15 -8.858 38.273 14.594 0.70 58.94 C ATOM 2048 C4' DT C 15 -9.532 39.242 15.538 0.70 58.11 C ATOM 2049 O4' DT C 15 -9.911 40.416 14.788 0.70 55.71 O ATOM 2050 C3' DT C 15 -10.828 38.711 16.142 0.70 58.22 C ATOM 2051 O3' DT C 15 -11.096 39.385 17.374 0.70 59.27 O ATOM 2052 C2' DT C 15 -11.866 39.115 15.109 0.70 56.91 C ATOM 2053 C1' DT C 15 -11.314 40.424 14.547 0.70 54.87 C ATOM 2054 N1 DT C 15 -11.504 40.585 13.090 0.70 52.74 N ATOM 2055 C2 DT C 15 -12.676 41.137 12.608 0.70 51.54 C ATOM 2056 O2 DT C 15 -13.597 41.504 13.326 0.70 51.61 O ATOM 2057 N3 DT C 15 -12.728 41.242 11.236 0.70 50.16 N ATOM 2058 C4 DT C 15 -11.760 40.861 10.326 0.70 50.23 C ATOM 2059 C5 DT C 15 -10.564 40.292 10.906 0.70 50.80 C ATOM 2060 C6 DT C 15 -10.501 40.183 12.236 0.70 51.74 C ATOM 2061 O4 DT C 15 -11.956 41.016 9.126 0.70 48.73 O ATOM 2062 C7 DT C 15 -9.452 39.854 10.006 0.70 51.09 C TER 2063 DT C 15 HETATM 2064 O HOH A2001 17.964 1.379 7.619 1.00 39.04 O HETATM 2065 O HOH A2002 19.140 -2.668 11.657 1.00 29.63 O HETATM 2066 O HOH A2003 25.858 8.837 14.233 1.00 27.26 O HETATM 2067 O HOH A2004 19.820 7.346 7.531 1.00 35.05 O HETATM 2068 O HOH A2005 23.151 1.573 8.926 1.00 48.29 O HETATM 2069 O HOH A2006 28.342 10.418 16.209 1.00 35.80 O HETATM 2070 O HOH A2007 21.076 -1.181 8.687 1.00 33.50 O HETATM 2071 O HOH A2008 20.671 -4.002 10.017 1.00 40.35 O HETATM 2072 O HOH A2009 12.437 30.708 -3.334 1.00 18.81 O HETATM 2073 O HOH A2010 15.967 39.154 24.950 1.00 32.47 O HETATM 2074 O HOH A2011 18.377 13.605 4.672 1.00 40.05 O HETATM 2075 O HOH A2012 32.553 27.607 12.228 1.00 12.14 O HETATM 2076 O HOH A2013 24.564 43.584 7.511 1.00 18.18 O HETATM 2077 O HOH A2014 8.699 33.822 -5.231 1.00 46.30 O HETATM 2078 O HOH A2015 16.843 31.854 -4.445 1.00 18.57 O HETATM 2079 O HOH A2016 4.242 38.544 20.052 1.00 43.68 O HETATM 2080 O HOH A2017 3.976 51.319 -2.588 1.00 45.64 O HETATM 2081 O HOH A2018 7.960 49.556 -10.317 1.00 27.51 O HETATM 2082 O HOH A2019 9.822 42.502 16.874 1.00 19.45 O HETATM 2083 O HOH A2020 18.553 39.317 24.507 1.00 38.14 O HETATM 2084 O HOH A2021 29.180 24.146 27.684 1.00 48.04 O HETATM 2085 O HOH A2022 12.293 30.526 24.251 1.00 28.57 O HETATM 2086 O HOH A2023 1.459 39.213 11.258 1.00 41.63 O HETATM 2087 O HOH A2024 3.758 29.922 4.134 1.00 39.54 O HETATM 2088 O HOH A2025 -0.469 24.878 -1.518 1.00 5.28 O HETATM 2089 O HOH A2026 -0.542 19.129 -0.228 1.00 42.58 O HETATM 2090 O HOH A2027 -7.564 10.967 -2.002 1.00 23.13 O HETATM 2091 O HOH A2028 -5.442 16.451 -1.880 1.00 29.49 O HETATM 2092 O HOH A2029 -10.920 20.149 3.014 1.00 7.75 O HETATM 2093 O HOH A2030 -8.949 25.249 5.467 1.00 44.27 O HETATM 2094 O HOH A2031 24.816 25.508 7.879 1.00 28.23 O HETATM 2095 O HOH A2032 26.195 27.504 4.715 1.00 36.10 O HETATM 2096 O HOH A2033 29.785 28.358 12.996 1.00 28.89 O HETATM 2097 O HOH A2034 25.541 30.187 6.467 1.00 33.62 O HETATM 2098 O HOH A2035 22.318 43.423 6.655 1.00 10.32 O HETATM 2099 O HOH A2036 22.488 43.248 9.199 1.00 12.40 O HETATM 2100 O HOH A2037 7.959 36.462 -3.810 1.00 18.64 O HETATM 2101 O HOH A2038 10.113 40.181 3.225 1.00 40.28 O HETATM 2102 O HOH A2039 14.449 24.675 1.085 1.00 27.29 O HETATM 2103 O HOH A2040 13.322 19.108 23.070 1.00 33.35 O HETATM 2104 O HOH A2041 3.650 23.099 22.089 1.00 33.68 O HETATM 2105 O HOH A2042 4.445 19.607 37.920 1.00 21.25 O HETATM 2106 O HOH A2043 20.889 24.450 16.753 1.00 28.38 O HETATM 2107 O HOH A2044 20.436 20.642 10.482 1.00 40.24 O HETATM 2108 O HOH A2045 23.692 20.286 9.852 1.00 34.07 O HETATM 2109 O HOH A2046 18.507 20.296 5.675 1.00 41.94 O HETATM 2110 O HOH A2047 21.290 32.018 2.534 1.00 30.45 O HETATM 2111 O HOH A2048 17.803 31.539 -2.077 1.00 19.84 O HETATM 2112 O HOH A2049 15.378 27.291 -0.480 1.00 26.49 O HETATM 2113 O HOH A2050 16.838 39.871 -9.844 1.00 21.27 O HETATM 2114 O HOH A2051 16.710 39.052 -7.767 1.00 24.74 O HETATM 2115 O HOH A2052 4.591 45.722 -2.746 1.00 33.12 O HETATM 2116 O HOH A2053 5.152 50.190 0.111 1.00 34.69 O HETATM 2117 O HOH A2054 10.478 55.048 -0.055 1.00 34.14 O HETATM 2118 O HOH A2055 11.111 48.600 -10.272 1.00 27.06 O HETATM 2119 O HOH A2056 14.693 51.587 -10.681 1.00 16.18 O HETATM 2120 O HOH A2057 6.116 53.047 -3.975 1.00 61.69 O HETATM 2121 O HOH B2001 6.485 26.389 -9.608 1.00 31.82 O HETATM 2122 O HOH B2002 7.147 24.754 -12.716 1.00 35.97 O HETATM 2123 O HOH B2003 -21.991 6.643 6.278 1.00 43.82 O HETATM 2124 O HOH B2004 -13.097 13.040 15.213 1.00 34.17 O HETATM 2125 O HOH B2005 7.215 20.468 -0.819 1.00 36.59 O HETATM 2126 O HOH B2006 33.261 19.680 9.844 1.00 49.06 O HETATM 2127 O HOH B2007 -10.649 -2.184 4.186 1.00 45.99 O HETATM 2128 O HOH B2008 -11.024 -4.360 5.732 1.00 44.76 O HETATM 2129 O HOH B2009 -2.216 12.150 19.399 1.00 23.88 O HETATM 2130 O HOH B2010 20.932 -15.947 -9.487 1.00 31.57 O HETATM 2131 O HOH B2011 -5.162 -0.381 17.716 1.00 33.33 O HETATM 2132 O HOH B2012 -6.283 -2.569 14.009 1.00 19.85 O HETATM 2133 O HOH B2013 -8.786 -1.710 10.185 1.00 20.95 O HETATM 2134 O HOH B2014 -14.125 9.692 13.950 1.00 40.27 O HETATM 2135 O HOH B2015 -20.837 9.410 6.346 1.00 25.57 O HETATM 2136 O HOH B2016 -19.543 11.012 1.597 1.00 45.50 O HETATM 2137 O HOH B2017 23.926 25.011 13.842 1.00 27.09 O HETATM 2138 O HOH B2018 33.721 17.525 12.544 1.00 24.72 O HETATM 2139 O HOH B2019 33.810 19.125 18.840 1.00 27.79 O HETATM 2140 O HOH B2020 23.052 18.139 22.982 1.00 37.40 O HETATM 2141 O HOH B2021 29.397 15.725 22.663 1.00 25.85 O HETATM 2142 O HOH B2022 26.971 20.120 22.815 1.00 51.47 O HETATM 2143 O HOH B2023 19.809 24.384 23.871 1.00 38.85 O HETATM 2144 O HOH B2024 2.752 5.992 0.909 1.00 19.95 O HETATM 2145 O HOH B2025 -8.975 -0.621 7.371 1.00 37.80 O HETATM 2146 O HOH B2026 1.529 -6.327 11.057 1.00 32.08 O HETATM 2147 O HOH B2027 4.407 -5.644 12.481 1.00 60.40 O HETATM 2148 O HOH B2028 9.790 -2.218 13.672 1.00 11.55 O HETATM 2149 O HOH B2029 -5.995 18.851 16.976 1.00 44.55 O HETATM 2150 O HOH B2030 -10.838 23.162 21.246 1.00 38.60 O HETATM 2151 O HOH B2031 -8.862 26.082 24.920 1.00 39.12 O HETATM 2152 O HOH B2032 -4.749 19.674 30.365 1.00 39.94 O HETATM 2153 O HOH B2033 1.926 25.031 18.164 1.00 15.19 O HETATM 2154 O HOH B2034 11.503 -4.635 1.016 1.00 36.38 O HETATM 2155 O HOH B2035 7.181 -6.682 5.538 1.00 35.86 O HETATM 2156 O HOH B2036 14.044 -2.469 10.559 1.00 18.63 O HETATM 2157 O HOH B2037 12.645 -8.657 0.464 1.00 35.57 O HETATM 2158 O HOH B2038 28.707 -8.854 3.449 1.00 61.65 O HETATM 2159 O HOH B2039 19.403 -17.021 1.760 1.00 28.47 O HETATM 2160 O HOH B2040 23.129 -13.973 -6.842 1.00 52.91 O HETATM 2161 O HOH B2041 24.751 -18.349 -7.471 1.00 23.44 O HETATM 2162 O HOH B2042 21.526 -18.663 -7.669 1.00 22.23 O HETATM 2163 O HOH C2001 29.473 21.631 32.666 1.00 46.52 O HETATM 2164 O HOH C2002 27.527 18.472 24.593 1.00 46.11 O HETATM 2165 O HOH C2003 29.114 22.906 30.209 1.00 20.14 O HETATM 2166 O HOH C2004 17.800 21.183 41.293 1.00 54.61 O HETATM 2167 O HOH C2005 9.828 14.051 27.275 1.00 40.11 O HETATM 2168 O HOH C2006 9.717 10.036 26.625 1.00 53.75 O HETATM 2169 O HOH C2007 13.850 22.861 35.025 1.00 50.01 O HETATM 2170 O HOH C2008 17.636 24.392 25.197 1.00 52.29 O HETATM 2171 O HOH C2009 16.977 28.767 31.437 1.00 30.06 O HETATM 2172 O HOH C2010 14.170 26.194 23.658 1.00 37.67 O HETATM 2173 O HOH C2011 18.147 32.111 33.491 1.00 37.58 O HETATM 2174 O HOH C2012 7.293 25.887 30.845 1.00 36.88 O HETATM 2175 O HOH C2013 19.297 33.643 31.320 1.00 16.75 O HETATM 2176 O HOH C2014 10.900 31.215 32.983 1.00 28.57 O HETATM 2177 O HOH C2015 6.621 38.933 23.080 1.00 25.95 O HETATM 2178 O HOH C2016 -1.096 31.121 21.687 1.00 71.48 O HETATM 2179 O HOH C2017 -3.556 37.449 10.037 1.00 10.46 O HETATM 2180 O HOH C2018 -1.707 28.125 20.400 1.00 30.38 O HETATM 2181 O HOH C2019 -6.367 33.632 19.809 1.00 23.27 O HETATM 2182 O HOH C2020 -14.676 40.840 9.338 1.00 39.50 O CONECT 407 1511 CONECT 641 1277 CONECT 1277 641 CONECT 1511 407 MASTER 373 0 0 4 13 0 0 6 2179 3 4 22 END
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PDB Code
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Ligand Name
1zzi
RCSB PDB
PDBbind
ssDNA
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Entry Information
PDB ID
2ccz
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
PRIMOSOMAL REPLICATION PROTEIN N
Ligand Name
SSDNA
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=100nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Nucleic Acids Research. (2006) 34, pp. 3878-3886
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P07013
Entrez Gene ID
NCBI Entrez Gene ID:
948722
ASD
Information of known allosteric effects of PDB entries
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