Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/DNA 31-OCT-12 4HT4 TITLE MOLECULAR BASIS OF VANCOMYCIN RESISTANCE TRANSFER IN STAPHYLOCOCCUS TITLE 2 AUREUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: NICKING ENZYME; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (28-MER); COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES; COMPND 10 OTHER_DETAILS: ORIT DNA HAIRPIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 GENE: NES, NES FROM PLW1043; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 AI; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PCPD-LASSO; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES KEYWDS VANCOMYCIN RESISTANCE PLASMID, DNA RELAXASE, S. AUREUS, CONJUGATIVE KEYWDS 2 TRANSFER, DNA HAIRPIN, HYDROLASE-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.S.EDWARDS REVDAT 4 15-NOV-17 4HT4 1 REMARK REVDAT 3 06-MAR-13 4HT4 1 JRNL REVDAT 2 13-FEB-13 4HT4 1 JRNL REVDAT 1 30-JAN-13 4HT4 0 JRNL AUTH J.S.EDWARDS,L.BETTS,M.L.FRAZIER,R.M.POLLET,S.M.KWONG, JRNL AUTH 2 W.G.WALTON,W.K.BALLENTINE,J.J.HUANG,S.HABIBI,M.DEL CAMPO, JRNL AUTH 3 J.L.MEIER,P.B.DERVAN,N.FIRTH,M.R.REDINBO JRNL TITL MOLECULAR BASIS OF ANTIBIOTIC MULTIRESISTANCE TRANSFER IN JRNL TITL 2 STAPHYLOCOCCUS AUREUS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 110 2804 2013 JRNL REFN ISSN 0027-8424 JRNL PMID 23359708 JRNL DOI 10.1073/PNAS.1219701110 REMARK 2 REMARK 2 RESOLUTION. 2.91 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.8.1_1168 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.91 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.51 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 8763 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.232 REMARK 3 R VALUE (WORKING SET) : 0.229 REMARK 3 FREE R VALUE : 0.286 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 412 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 48.5160 - 4.1926 1.00 3016 155 0.2167 0.2429 REMARK 3 2 4.1926 - 3.3280 0.99 2768 128 0.2318 0.3336 REMARK 3 3 3.3280 - 2.9074 0.93 2567 129 0.2743 0.3947 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.330 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.110 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 75.77 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 2244 REMARK 3 ANGLE : 0.738 3157 REMARK 3 CHIRALITY : 0.050 333 REMARK 3 PLANARITY : 0.002 318 REMARK 3 DIHEDRAL : 22.969 860 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4HT4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-NOV-12. REMARK 100 THE DEPOSITION ID IS D_1000075887. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : JUN-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 23-ID-D REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8865 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.900 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 200 DATA REDUNDANCY : 20.30 REMARK 200 R MERGE (I) : 0.09700 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 11.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.95 REMARK 200 COMPLETENESS FOR SHELL (%) : 79.7 REMARK 200 DATA REDUNDANCY IN SHELL : 13.20 REMARK 200 R MERGE FOR SHELL (I) : 0.26100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH ANOMALOUS REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE, RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.85 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 16% PEG 8,000, 120 MM CALCIUM ACETATE, REMARK 280 80 MM SODIUM CACOLYDATE, AND 20% GLYCEROL V/V , PH 6.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 64 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z+1/3 REMARK 290 6555 X-Y,X,Z+2/3 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+1/3 REMARK 290 11555 -X+Y,Y,-Z REMARK 290 12555 X,X-Y,-Z+2/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 104.58533 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 209.17067 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 104.58533 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 209.17067 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 104.58533 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 209.17067 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 104.58533 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 209.17067 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4150 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12640 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -96.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 LEU A 196 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 9 CG CD CE NZ REMARK 470 LYS A 32 CG CD CE NZ REMARK 470 LYS A 35 CG CD CE NZ REMARK 470 ASN A 56 CG OD1 ND2 REMARK 470 ASN A 57 CG OD1 ND2 REMARK 470 ASN A 77 CG OD1 ND2 REMARK 470 ASN A 98 CG OD1 ND2 REMARK 470 LYS A 143 CG CD CE NZ REMARK 470 LYS A 152 CG CD CE NZ REMARK 470 GLU A 164 CG CD OE1 OE2 REMARK 470 LYS A 171 CG CD CE NZ REMARK 470 LYS A 183 CG CD CE NZ REMARK 470 ASP A 193 CG OD1 OD2 REMARK 470 TYR A 195 CG CD1 CD2 CE1 CE2 CZ OH REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 DC B 29 O5' C5' C4' O4' C3' O3' C2' REMARK 480 DC B 29 C1' N1 C2 O2 N3 C4 N4 REMARK 480 DC B 29 C5 C6 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NE2 GLN A 7 N3 DC B 29 4565 2.04 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 DC B 19 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DA B 23 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 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 LYS A 124 65.31 26.78 REMARK 500 ASP A 142 -164.89 -102.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NI A 201 NI REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 131 NE2 REMARK 620 2 HIS A 133 NE2 89.2 REMARK 620 3 HIS A 123 ND1 92.0 80.6 REMARK 620 4 HOH A 309 O 84.7 116.1 162.8 REMARK 620 5 HOH A 310 O 170.9 93.4 79.8 101.9 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B 101 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG B 9 OP2 REMARK 620 2 DG B 10 O6 135.5 REMARK 620 3 HOH B 203 O 146.4 77.2 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 102 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 103 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 104 DBREF 4HT4 A 2 195 UNP Q53632 Q53632_STAAU 2 195 DBREF 4HT4 B 2 29 PDB 4HT4 4HT4 2 29 SEQADV 4HT4 PHE A 25 UNP Q53632 TYR 25 ENGINEERED MUTATION SEQADV 4HT4 LEU A 196 UNP Q53632 EXPRESSION TAG SEQRES 1 A 195 ALA MSE TYR HIS PHE GLN ASN LYS PHE VAL SER LYS ALA SEQRES 2 A 195 ASN GLY GLN SER ALA THR ALA LYS SER ALA PHE ASN SER SEQRES 3 A 195 ALA SER ARG ILE LYS ASP PHE LYS GLU ASN GLU PHE LYS SEQRES 4 A 195 ASP TYR SER ASN LYS GLN CYS ASP TYR SER GLU ILE LEU SEQRES 5 A 195 LEU PRO ASN ASN ALA ASP ASP LYS PHE LYS ASP ARG GLU SEQRES 6 A 195 TYR LEU TRP ASN LYS VAL HIS ASP VAL GLU ASN ARG LYS SEQRES 7 A 195 ASN SER GLN VAL ALA ARG GLU ILE ILE ILE GLY LEU PRO SEQRES 8 A 195 ASN GLU PHE ASP PRO ASN SER ASN ILE GLU LEU ALA LYS SEQRES 9 A 195 GLU PHE ALA GLU SER LEU SER ASN GLU GLY MSE ILE VAL SEQRES 10 A 195 ASP LEU ASN ILE HIS LYS ILE ASN GLU GLU ASN PRO HIS SEQRES 11 A 195 ALA HIS LEU LEU CYS THR LEU ARG GLY LEU ASP LYS ASN SEQRES 12 A 195 ASN GLU PHE GLU PRO LYS ARG LYS GLY ASN ASP TYR ILE SEQRES 13 A 195 ARG ASP TRP ASN THR LYS GLU LYS HIS ASN GLU TRP ARG SEQRES 14 A 195 LYS ARG TRP GLU ASN VAL GLN ASN LYS HIS LEU GLU LYS SEQRES 15 A 195 ASN GLY PHE SER VAL ARG VAL SER ALA ASP SER TYR LEU SEQRES 1 B 28 DC DG DC DG DA DA DC DG DG DA DA DC DG SEQRES 2 B 28 DT DT DC DG DC DA DT DA DA DG DT DG DC SEQRES 3 B 28 DG DC MODRES 4HT4 MSE A 3 MET SELENOMETHIONINE MODRES 4HT4 MSE A 116 MET SELENOMETHIONINE HET MSE A 3 8 HET MSE A 116 8 HET NI A 201 1 HET CA A 202 1 HET CA A 203 1 HET CA A 204 1 HET CA A 205 1 HET CL A 206 1 HET CA B 101 1 HET CA B 102 1 HET CA B 103 1 HET CA B 104 1 HETNAM MSE SELENOMETHIONINE HETNAM NI NICKEL (II) ION HETNAM CA CALCIUM ION HETNAM CL CHLORIDE ION FORMUL 1 MSE 2(C5 H11 N O2 SE) FORMUL 3 NI NI 2+ FORMUL 4 CA 8(CA 2+) FORMUL 8 CL CL 1- FORMUL 13 HOH *19(H2 O) HELIX 1 1 ALA A 14 GLY A 16 5 3 HELIX 2 2 SER A 18 ALA A 28 1 11 HELIX 3 3 ASP A 59 LYS A 63 5 5 HELIX 4 4 ASP A 64 GLU A 76 1 13 HELIX 5 5 ASP A 96 SER A 110 1 15 HELIX 6 6 THR A 162 ASN A 184 1 23 SHEET 1 A 5 PHE A 6 SER A 12 0 SHEET 2 A 5 GLN A 82 GLY A 90 -1 O ALA A 84 N VAL A 11 SHEET 3 A 5 HIS A 131 THR A 137 -1 O CYS A 136 N ARG A 85 SHEET 4 A 5 VAL A 118 HIS A 123 -1 N ASP A 119 O LEU A 135 SHEET 5 A 5 TYR A 49 LEU A 53 -1 N LEU A 53 O VAL A 118 SHEET 1 B 2 ARG A 30 ASP A 33 0 SHEET 2 B 2 GLU A 38 ASP A 41 -1 O LYS A 40 N ILE A 31 SHEET 1 C 2 ARG A 151 LYS A 152 0 SHEET 2 C 2 ASP A 155 TYR A 156 -1 O ASP A 155 N LYS A 152 LINK C ALA A 2 N MSE A 3 1555 1555 1.33 LINK C MSE A 3 N TYR A 4 1555 1555 1.33 LINK C GLY A 115 N MSE A 116 1555 1555 1.33 LINK C MSE A 116 N ILE A 117 1555 1555 1.33 LINK NE2 HIS A 131 NI NI A 201 1555 1555 1.97 LINK NE2 HIS A 133 NI NI A 201 1555 1555 1.98 LINK ND1 HIS A 123 NI NI A 201 1555 1555 2.01 LINK OP2 DG B 9 CA CA B 101 1555 1555 2.59 LINK O6 DG B 10 CA CA B 101 1555 1555 2.67 LINK NI NI A 201 O HOH A 309 1555 1555 1.96 LINK NI NI A 201 O HOH A 310 1555 1555 1.97 LINK CA CA A 205 O HOH B 204 1555 1555 2.54 LINK CA CA B 101 O HOH B 203 1555 1555 2.59 CISPEP 1 GLU A 114 GLY A 115 0 -0.65 SITE 1 AC1 5 HIS A 123 HIS A 131 HIS A 133 HOH A 309 SITE 2 AC1 5 HOH A 310 SITE 1 AC2 1 ASN A 15 SITE 1 AC3 2 ASN A 129 HOH B 204 SITE 1 AC4 3 DG B 9 DG B 10 HOH B 203 SITE 1 AC5 1 DA B 20 SITE 1 AC6 2 GLU A 146 HOH A 305 SITE 1 AC7 1 HOH A 315 CRYST1 63.226 63.226 313.756 90.00 90.00 120.00 P 64 2 2 12 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 0.015816 0.009132 0.000000 0.00000 SCALE2 0.000000 0.018263 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003187 0.00000 ATOM 1 N ALA A 2 1.093 22.460 151.848 1.00 68.30 N ATOM 2 CA ALA A 2 0.375 22.442 153.117 1.00 60.80 C ATOM 3 C ALA A 2 -1.123 22.253 152.908 1.00 71.84 C ATOM 4 O ALA A 2 -1.919 22.554 153.796 1.00 86.01 O ATOM 5 CB ALA A 2 0.639 23.723 153.895 1.00 57.73 C HETATM 6 N MSE A 3 -1.502 21.756 151.734 1.00 67.65 N HETATM 7 CA MSE A 3 -2.910 21.548 151.413 1.00 72.91 C HETATM 8 C MSE A 3 -3.068 20.647 150.190 1.00 67.26 C HETATM 9 O MSE A 3 -2.268 20.710 149.256 1.00 69.71 O HETATM 10 CB MSE A 3 -3.600 22.890 151.167 1.00 69.82 C HETATM 11 CG MSE A 3 -5.094 22.884 151.437 1.00 72.11 C HETATM 12 SE MSE A 3 -5.920 24.538 150.841 1.00129.60 SE HETATM 13 CE MSE A 3 -5.448 24.403 148.956 1.00 86.38 C ATOM 14 N TYR A 4 -4.103 19.812 150.197 1.00 62.90 N ATOM 15 CA TYR A 4 -4.345 18.892 149.092 1.00 64.05 C ATOM 16 C TYR A 4 -5.371 19.434 148.107 1.00 67.16 C ATOM 17 O TYR A 4 -6.457 19.867 148.495 1.00 76.18 O ATOM 18 CB TYR A 4 -4.813 17.532 149.611 1.00 69.23 C ATOM 19 CG TYR A 4 -4.892 16.461 148.546 1.00 73.92 C ATOM 20 CD1 TYR A 4 -3.792 15.664 148.255 1.00 64.12 C ATOM 21 CD2 TYR A 4 -6.065 16.242 147.834 1.00 70.22 C ATOM 22 CE1 TYR A 4 -3.857 14.681 147.283 1.00 77.15 C ATOM 23 CE2 TYR A 4 -6.139 15.262 146.860 1.00 62.79 C ATOM 24 CZ TYR A 4 -5.034 14.486 146.589 1.00 72.29 C ATOM 25 OH TYR A 4 -5.104 13.510 145.622 1.00 66.21 O ATOM 26 N HIS A 5 -5.022 19.396 146.827 1.00 71.09 N ATOM 27 CA HIS A 5 -5.965 19.729 145.771 1.00 67.53 C ATOM 28 C HIS A 5 -5.623 18.981 144.493 1.00 69.02 C ATOM 29 O HIS A 5 -4.538 19.144 143.936 1.00 63.21 O ATOM 30 CB HIS A 5 -5.993 21.231 145.502 1.00 76.87 C ATOM 31 CG HIS A 5 -6.874 21.616 144.354 1.00 92.42 C ATOM 32 ND1 HIS A 5 -8.235 21.396 144.356 1.00 81.10 N ATOM 33 CD2 HIS A 5 -6.588 22.193 143.164 1.00 78.12 C ATOM 34 CE1 HIS A 5 -8.750 21.828 143.218 1.00 81.61 C ATOM 35 NE2 HIS A 5 -7.771 22.317 142.477 1.00 84.02 N ATOM 36 N PHE A 6 -6.558 18.159 144.033 1.00 72.56 N ATOM 37 CA PHE A 6 -6.370 17.397 142.809 1.00 72.63 C ATOM 38 C PHE A 6 -7.625 17.475 141.952 1.00 69.18 C ATOM 39 O PHE A 6 -8.698 17.043 142.371 1.00 73.46 O ATOM 40 CB PHE A 6 -6.044 15.939 143.138 1.00 76.70 C ATOM 41 CG PHE A 6 -5.804 15.080 141.928 1.00 65.20 C ATOM 42 CD1 PHE A 6 -4.539 14.970 141.382 1.00 62.84 C ATOM 43 CD2 PHE A 6 -6.843 14.373 141.345 1.00 62.36 C ATOM 44 CE1 PHE A 6 -4.316 14.178 140.274 1.00 68.17 C ATOM 45 CE2 PHE A 6 -6.625 13.582 140.238 1.00 58.40 C ATOM 46 CZ PHE A 6 -5.361 13.485 139.703 1.00 57.49 C ATOM 47 N GLN A 7 -7.491 18.024 140.751 1.00 65.60 N ATOM 48 CA GLN A 7 -8.625 18.122 139.841 1.00 72.37 C ATOM 49 C GLN A 7 -8.355 17.391 138.533 1.00 63.28 C ATOM 50 O GLN A 7 -7.296 17.548 137.926 1.00 67.19 O ATOM 51 CB GLN A 7 -8.986 19.583 139.567 1.00 65.61 C ATOM 52 CG GLN A 7 -10.229 19.748 138.708 1.00 65.19 C ATOM 53 CD GLN A 7 -10.688 21.187 138.611 1.00 82.48 C ATOM 54 OE1 GLN A 7 -9.971 22.108 139.001 1.00 79.44 O ATOM 55 NE2 GLN A 7 -11.893 21.389 138.091 1.00 74.68 N ATOM 56 N ASN A 8 -9.324 16.587 138.110 1.00 58.97 N ATOM 57 CA ASN A 8 -9.221 15.832 136.871 1.00 64.72 C ATOM 58 C ASN A 8 -10.377 16.194 135.947 1.00 66.74 C ATOM 59 O ASN A 8 -11.538 15.945 136.272 1.00 65.52 O ATOM 60 CB ASN A 8 -9.231 14.335 137.173 1.00 58.06 C ATOM 61 CG ASN A 8 -8.889 13.494 135.965 1.00 69.99 C ATOM 62 OD1 ASN A 8 -8.244 13.965 135.028 1.00 77.43 O ATOM 63 ND2 ASN A 8 -9.318 12.238 135.980 1.00 58.45 N ATOM 64 N LYS A 9 -10.062 16.791 134.801 1.00 52.75 N ATOM 65 CA LYS A 9 -11.098 17.263 133.887 1.00 62.95 C ATOM 66 C LYS A 9 -10.743 17.036 132.420 1.00 65.99 C ATOM 67 O LYS A 9 -9.572 16.896 132.066 1.00 64.55 O ATOM 68 CB LYS A 9 -11.384 18.747 134.128 1.00 49.69 C ATOM 69 N PHE A 10 -11.767 17.005 131.573 1.00 64.17 N ATOM 70 CA PHE A 10 -11.579 16.834 130.137 1.00 67.85 C ATOM 71 C PHE A 10 -11.629 18.169 129.407 1.00 67.14 C ATOM 72 O PHE A 10 -12.368 19.072 129.798 1.00 70.64 O ATOM 73 CB PHE A 10 -12.656 15.915 129.558 1.00 66.01 C ATOM 74 CG PHE A 10 -12.523 14.480 129.976 1.00 68.03 C ATOM 75 CD1 PHE A 10 -11.676 13.625 129.294 1.00 65.65 C ATOM 76 CD2 PHE A 10 -13.252 13.983 131.042 1.00 68.08 C ATOM 77 CE1 PHE A 10 -11.552 12.302 129.671 1.00 70.18 C ATOM 78 CE2 PHE A 10 -13.131 12.659 131.424 1.00 69.64 C ATOM 79 CZ PHE A 10 -12.281 11.819 130.737 1.00 64.74 C ATOM 80 N VAL A 11 -10.848 18.281 128.339 1.00 62.68 N ATOM 81 CA VAL A 11 -10.893 19.451 127.472 1.00 65.79 C ATOM 82 C VAL A 11 -11.636 19.091 126.193 1.00 56.66 C ATOM 83 O VAL A 11 -11.082 18.444 125.304 1.00 51.19 O ATOM 84 CB VAL A 11 -9.484 19.946 127.122 1.00 65.19 C ATOM 85 CG1 VAL A 11 -9.563 21.197 126.262 1.00 59.94 C ATOM 86 CG2 VAL A 11 -8.694 20.217 128.388 1.00 59.82 C ATOM 87 N SER A 12 -12.894 19.511 126.107 1.00 58.00 N ATOM 88 CA SER A 12 -13.765 19.091 125.015 1.00 59.76 C ATOM 89 C SER A 12 -14.108 20.227 124.060 1.00 61.20 C ATOM 90 O SER A 12 -14.346 21.357 124.483 1.00 65.63 O ATOM 91 CB SER A 12 -15.050 18.479 125.572 1.00 65.20 C ATOM 92 OG SER A 12 -15.952 18.152 124.531 1.00 73.42 O ATOM 93 N LYS A 13 -14.140 19.912 122.769 1.00 68.17 N ATOM 94 CA LYS A 13 -14.495 20.888 121.745 1.00 64.02 C ATOM 95 C LYS A 13 -15.998 21.129 121.720 1.00 57.54 C ATOM 96 O LYS A 13 -16.472 22.089 121.114 1.00 63.13 O ATOM 97 CB LYS A 13 -14.021 20.416 120.372 1.00 59.02 C ATOM 98 CG LYS A 13 -12.513 20.348 120.231 1.00 60.20 C ATOM 99 CD LYS A 13 -12.119 19.660 118.935 1.00 71.96 C ATOM 100 CE LYS A 13 -12.628 20.418 117.726 1.00 72.67 C ATOM 101 NZ LYS A 13 -12.414 19.641 116.473 1.00 74.82 N ATOM 102 N ALA A 14 -16.744 20.251 122.383 1.00 59.04 N ATOM 103 CA ALA A 14 -18.193 20.384 122.459 1.00 64.59 C ATOM 104 C ALA A 14 -18.581 21.581 123.321 1.00 67.96 C ATOM 105 O ALA A 14 -19.723 22.038 123.285 1.00 67.31 O ATOM 106 CB ALA A 14 -18.812 19.113 123.006 1.00 57.65 C ATOM 107 N ASN A 15 -17.623 22.078 124.097 1.00 76.12 N ATOM 108 CA ASN A 15 -17.837 23.252 124.932 1.00 73.67 C ATOM 109 C ASN A 15 -16.968 24.427 124.493 1.00 73.05 C ATOM 110 O ASN A 15 -16.693 25.335 125.277 1.00 75.21 O ATOM 111 CB ASN A 15 -17.577 22.920 126.402 1.00 67.08 C ATOM 112 CG ASN A 15 -18.517 21.859 126.935 1.00 86.91 C ATOM 113 OD1 ASN A 15 -18.196 20.670 126.933 1.00 89.37 O ATOM 114 ND2 ASN A 15 -19.689 22.284 127.396 1.00 96.11 N ATOM 115 N GLY A 16 -16.533 24.398 123.237 1.00 57.46 N ATOM 116 CA GLY A 16 -15.792 25.501 122.654 1.00 68.80 C ATOM 117 C GLY A 16 -14.354 25.619 123.120 1.00 63.69 C ATOM 118 O GLY A 16 -13.736 26.675 122.981 1.00 59.12 O ATOM 119 N GLN A 17 -13.815 24.536 123.668 1.00 67.38 N ATOM 120 CA GLN A 17 -12.444 24.545 124.162 1.00 71.36 C ATOM 121 C GLN A 17 -11.456 24.156 123.073 1.00 68.02 C ATOM 122 O GLN A 17 -11.839 23.620 122.033 1.00 63.12 O ATOM 123 CB GLN A 17 -12.295 23.613 125.364 1.00 63.80 C ATOM 124 CG GLN A 17 -13.154 24.001 126.549 1.00 67.81 C ATOM 125 CD GLN A 17 -13.041 23.014 127.690 1.00 76.26 C ATOM 126 OE1 GLN A 17 -13.559 21.900 127.615 1.00 72.95 O ATOM 127 NE2 GLN A 17 -12.356 23.415 128.753 1.00 67.79 N ATOM 128 N SER A 18 -10.181 24.432 123.321 1.00 70.49 N ATOM 129 CA SER A 18 -9.133 24.125 122.360 1.00 61.65 C ATOM 130 C SER A 18 -7.841 23.731 123.063 1.00 76.48 C ATOM 131 O SER A 18 -7.498 24.278 124.113 1.00 79.45 O ATOM 132 CB SER A 18 -8.882 25.321 121.441 1.00 59.62 C ATOM 133 OG SER A 18 -7.730 25.114 120.641 1.00 73.82 O ATOM 134 N ALA A 19 -7.130 22.776 122.476 1.00 68.54 N ATOM 135 CA ALA A 19 -5.850 22.335 123.013 1.00 66.13 C ATOM 136 C ALA A 19 -4.778 23.390 122.769 1.00 66.73 C ATOM 137 O ALA A 19 -3.872 23.568 123.582 1.00 72.58 O ATOM 138 CB ALA A 19 -5.445 21.010 122.394 1.00 70.70 C ATOM 139 N THR A 20 -4.887 24.087 121.641 1.00 59.23 N ATOM 140 CA THR A 20 -3.940 25.142 121.299 1.00 73.88 C ATOM 141 C THR A 20 -4.155 26.367 122.178 1.00 71.53 C ATOM 142 O THR A 20 -3.205 27.060 122.536 1.00 66.02 O ATOM 143 CB THR A 20 -4.055 25.553 119.821 1.00 72.97 C ATOM 144 OG1 THR A 20 -5.420 25.862 119.514 1.00 75.50 O ATOM 145 CG2 THR A 20 -3.581 24.426 118.919 1.00 60.17 C ATOM 146 N ALA A 21 -5.412 26.628 122.521 1.00 65.70 N ATOM 147 CA ALA A 21 -5.749 27.746 123.394 1.00 67.15 C ATOM 148 C ALA A 21 -5.278 27.487 124.822 1.00 74.87 C ATOM 149 O ALA A 21 -4.684 28.359 125.455 1.00 80.20 O ATOM 150 CB ALA A 21 -7.243 28.009 123.366 1.00 75.12 C ATOM 151 N LYS A 22 -5.551 26.286 125.325 1.00 68.33 N ATOM 152 CA LYS A 22 -5.151 25.905 126.677 1.00 66.97 C ATOM 153 C LYS A 22 -3.636 25.859 126.842 1.00 69.78 C ATOM 154 O LYS A 22 -3.102 26.336 127.843 1.00 73.66 O ATOM 155 CB LYS A 22 -5.761 24.556 127.062 1.00 67.43 C ATOM 156 CG LYS A 22 -7.106 24.665 127.754 1.00 76.04 C ATOM 157 CD LYS A 22 -6.968 25.345 129.107 1.00 63.65 C ATOM 158 CE LYS A 22 -8.328 25.611 129.728 1.00 72.49 C ATOM 159 NZ LYS A 22 -9.141 24.369 129.824 1.00 73.73 N ATOM 160 N SER A 23 -2.948 25.286 125.859 1.00 65.41 N ATOM 161 CA SER A 23 -1.495 25.180 125.909 1.00 64.64 C ATOM 162 C SER A 23 -0.843 26.556 125.873 1.00 72.90 C ATOM 163 O SER A 23 0.212 26.766 126.467 1.00 75.55 O ATOM 164 CB SER A 23 -0.974 24.325 124.755 1.00 66.02 C ATOM 165 OG SER A 23 -1.351 24.873 123.506 1.00 84.80 O ATOM 166 N ALA A 24 -1.479 27.490 125.174 1.00 69.49 N ATOM 167 CA ALA A 24 -0.976 28.855 125.086 1.00 75.08 C ATOM 168 C ALA A 24 -1.306 29.635 126.353 1.00 69.84 C ATOM 169 O ALA A 24 -0.491 30.417 126.843 1.00 76.07 O ATOM 170 CB ALA A 24 -1.554 29.554 123.869 1.00 79.16 C ATOM 171 N PHE A 25 -2.507 29.417 126.877 1.00 70.82 N ATOM 172 CA PHE A 25 -2.958 30.105 128.079 1.00 73.54 C ATOM 173 C PHE A 25 -2.147 29.684 129.300 1.00 73.82 C ATOM 174 O PHE A 25 -1.849 30.502 130.171 1.00 76.61 O ATOM 175 CB PHE A 25 -4.445 29.832 128.316 1.00 66.41 C ATOM 176 CG PHE A 25 -5.008 30.526 129.524 1.00 84.75 C ATOM 177 CD1 PHE A 25 -5.420 31.845 129.452 1.00 84.95 C ATOM 178 CD2 PHE A 25 -5.137 29.855 130.729 1.00 82.91 C ATOM 179 CE1 PHE A 25 -5.943 32.486 130.560 1.00 80.45 C ATOM 180 CE2 PHE A 25 -5.659 30.490 131.842 1.00 70.86 C ATOM 181 CZ PHE A 25 -6.063 31.807 131.756 1.00 63.39 C ATOM 182 N ASN A 26 -1.792 28.405 129.358 1.00 69.30 N ATOM 183 CA ASN A 26 -1.071 27.865 130.504 1.00 73.31 C ATOM 184 C ASN A 26 0.433 28.109 130.436 1.00 75.07 C ATOM 185 O ASN A 26 1.081 28.306 131.463 1.00 86.09 O ATOM 186 CB ASN A 26 -1.357 26.369 130.660 1.00 71.34 C ATOM 187 CG ASN A 26 -2.805 26.085 131.007 1.00 60.73 C ATOM 188 OD1 ASN A 26 -3.644 26.986 131.011 1.00 65.57 O ATOM 189 ND2 ASN A 26 -3.107 24.824 131.294 1.00 54.51 N ATOM 190 N SER A 27 0.985 28.094 129.227 1.00 66.91 N ATOM 191 CA SER A 27 2.421 28.273 129.044 1.00 71.94 C ATOM 192 C SER A 27 2.787 29.729 128.786 1.00 71.77 C ATOM 193 O SER A 27 3.968 30.065 128.677 1.00 65.25 O ATOM 194 CB SER A 27 2.930 27.405 127.892 1.00 79.89 C ATOM 195 OG SER A 27 2.273 27.732 126.680 1.00 72.06 O ATOM 196 N ALA A 28 1.769 30.582 128.695 1.00 73.49 N ATOM 197 CA ALA A 28 1.956 32.003 128.406 1.00 84.17 C ATOM 198 C ALA A 28 2.777 32.212 127.137 1.00 83.80 C ATOM 199 O ALA A 28 3.761 32.952 127.137 1.00 84.28 O ATOM 200 CB ALA A 28 2.602 32.716 129.590 1.00 72.69 C ATOM 201 N SER A 29 2.363 31.553 126.059 1.00 74.51 N ATOM 202 CA SER A 29 3.090 31.619 124.798 1.00 82.17 C ATOM 203 C SER A 29 2.147 31.825 123.617 1.00 88.17 C ATOM 204 O SER A 29 0.926 31.792 123.771 1.00 85.82 O ATOM 205 CB SER A 29 3.917 30.348 124.594 1.00 74.81 C ATOM 206 OG SER A 29 3.095 29.194 124.615 1.00 66.71 O ATOM 207 N ARG A 30 2.723 32.037 122.437 1.00 92.85 N ATOM 208 CA ARG A 30 1.942 32.237 121.222 1.00 82.68 C ATOM 209 C ARG A 30 2.013 30.995 120.337 1.00 75.20 C ATOM 210 O ARG A 30 3.084 30.626 119.854 1.00 74.17 O ATOM 211 CB ARG A 30 2.444 33.466 120.460 1.00 92.06 C ATOM 212 CG ARG A 30 1.471 33.994 119.419 1.00101.80 C ATOM 213 CD ARG A 30 1.905 35.354 118.897 1.00102.91 C ATOM 214 NE ARG A 30 2.763 35.250 117.722 1.00 93.03 N ATOM 215 CZ ARG A 30 2.356 35.492 116.480 1.00103.80 C ATOM 216 NH1 ARG A 30 1.102 35.859 116.251 1.00 98.86 N ATOM 217 NH2 ARG A 30 3.204 35.374 115.468 1.00111.82 N ATOM 218 N ILE A 31 0.868 30.351 120.135 1.00 81.90 N ATOM 219 CA ILE A 31 0.805 29.114 119.364 1.00 83.55 C ATOM 220 C ILE A 31 -0.208 29.222 118.228 1.00 84.06 C ATOM 221 O ILE A 31 -1.342 29.654 118.436 1.00 77.40 O ATOM 222 CB ILE A 31 0.443 27.912 120.259 1.00 86.33 C ATOM 223 CG1 ILE A 31 1.515 27.702 121.329 1.00 81.62 C ATOM 224 CG2 ILE A 31 0.281 26.650 119.427 1.00 76.40 C ATOM 225 CD1 ILE A 31 2.894 27.439 120.764 1.00 74.43 C ATOM 226 N LYS A 32 0.207 28.822 117.030 1.00 79.35 N ATOM 227 CA LYS A 32 -0.650 28.906 115.853 1.00 85.97 C ATOM 228 C LYS A 32 -1.512 27.661 115.664 1.00 82.33 C ATOM 229 O LYS A 32 -1.014 26.535 115.693 1.00 70.72 O ATOM 230 CB LYS A 32 0.190 29.143 114.596 1.00 82.43 C ATOM 231 N ASP A 33 -2.809 27.877 115.475 1.00 85.21 N ATOM 232 CA ASP A 33 -3.721 26.807 115.101 1.00 75.82 C ATOM 233 C ASP A 33 -3.822 26.819 113.583 1.00 78.70 C ATOM 234 O ASP A 33 -4.137 27.847 112.986 1.00 82.55 O ATOM 235 CB ASP A 33 -5.097 27.033 115.729 1.00 70.91 C ATOM 236 CG ASP A 33 -5.983 25.800 115.668 1.00 80.24 C ATOM 237 OD1 ASP A 33 -5.928 25.062 114.661 1.00 74.35 O ATOM 238 OD2 ASP A 33 -6.741 25.570 116.633 1.00 85.77 O ATOM 239 N PHE A 34 -3.551 25.679 112.959 1.00 78.51 N ATOM 240 CA PHE A 34 -3.474 25.613 111.504 1.00 75.27 C ATOM 241 C PHE A 34 -4.839 25.436 110.851 1.00 74.38 C ATOM 242 O PHE A 34 -5.145 26.087 109.852 1.00 77.47 O ATOM 243 CB PHE A 34 -2.537 24.485 111.071 1.00 68.65 C ATOM 244 CG PHE A 34 -1.149 24.608 111.628 1.00 71.57 C ATOM 245 CD1 PHE A 34 -0.604 25.853 111.890 1.00 78.96 C ATOM 246 CD2 PHE A 34 -0.392 23.482 111.897 1.00 72.24 C ATOM 247 CE1 PHE A 34 0.671 25.973 112.406 1.00 78.59 C ATOM 248 CE2 PHE A 34 0.885 23.597 112.414 1.00 81.19 C ATOM 249 CZ PHE A 34 1.415 24.844 112.668 1.00 81.38 C ATOM 250 N LYS A 35 -5.655 24.553 111.418 1.00 61.07 N ATOM 251 CA LYS A 35 -6.960 24.240 110.843 1.00 66.49 C ATOM 252 C LYS A 35 -7.934 25.415 110.921 1.00 81.16 C ATOM 253 O LYS A 35 -8.960 25.420 110.241 1.00 87.72 O ATOM 254 CB LYS A 35 -7.563 23.003 111.514 1.00 27.62 C ATOM 255 N GLU A 36 -7.610 26.406 111.745 1.00 84.49 N ATOM 256 CA GLU A 36 -8.449 27.593 111.876 1.00 88.71 C ATOM 257 C GLU A 36 -7.694 28.856 111.469 1.00 85.46 C ATOM 258 O GLU A 36 -8.281 29.934 111.366 1.00 87.87 O ATOM 259 CB GLU A 36 -8.977 27.726 113.306 1.00 82.33 C ATOM 260 CG GLU A 36 -9.875 26.579 113.736 1.00 86.81 C ATOM 261 CD GLU A 36 -10.614 26.868 115.027 1.00 97.57 C ATOM 262 OE1 GLU A 36 -10.201 27.792 115.758 1.00100.30 O ATOM 263 OE2 GLU A 36 -11.614 26.174 115.306 1.00 94.85 O ATOM 264 N ASN A 37 -6.394 28.704 111.234 1.00 80.08 N ATOM 265 CA ASN A 37 -5.522 29.810 110.838 1.00 73.96 C ATOM 266 C ASN A 37 -5.603 31.019 111.768 1.00 82.95 C ATOM 267 O ASN A 37 -5.619 32.166 111.317 1.00 72.07 O ATOM 268 CB ASN A 37 -5.787 30.231 109.390 1.00 89.81 C ATOM 269 CG ASN A 37 -4.576 30.875 108.740 1.00 93.31 C ATOM 270 OD1 ASN A 37 -3.695 31.403 109.420 1.00103.62 O ATOM 271 ND2 ASN A 37 -4.526 30.832 107.415 1.00 79.61 N ATOM 272 N GLU A 38 -5.661 30.751 113.068 1.00 85.13 N ATOM 273 CA GLU A 38 -5.611 31.807 114.069 1.00 62.20 C ATOM 274 C GLU A 38 -4.301 31.727 114.837 1.00 73.29 C ATOM 275 O GLU A 38 -3.542 30.769 114.691 1.00 72.81 O ATOM 276 CB GLU A 38 -6.778 31.689 115.050 1.00 78.80 C ATOM 277 CG GLU A 38 -8.143 31.981 114.457 1.00 87.43 C ATOM 278 CD GLU A 38 -9.209 32.125 115.526 1.00 90.29 C ATOM 279 OE1 GLU A 38 -8.850 32.446 116.679 1.00 84.47 O ATOM 280 OE2 GLU A 38 -10.401 31.914 115.219 1.00 91.75 O ATOM 281 N PHE A 39 -4.042 32.739 115.655 1.00 88.80 N ATOM 282 CA PHE A 39 -2.890 32.725 116.544 1.00 76.96 C ATOM 283 C PHE A 39 -3.339 32.839 117.991 1.00 85.70 C ATOM 284 O PHE A 39 -3.799 33.894 118.426 1.00 93.58 O ATOM 285 CB PHE A 39 -1.920 33.857 116.206 1.00 85.40 C ATOM 286 CG PHE A 39 -0.840 33.461 115.243 1.00 97.41 C ATOM 287 CD1 PHE A 39 0.294 32.805 115.689 1.00 94.12 C ATOM 288 CD2 PHE A 39 -0.955 33.745 113.893 1.00 88.20 C ATOM 289 CE1 PHE A 39 1.292 32.439 114.807 1.00 97.17 C ATOM 290 CE2 PHE A 39 0.040 33.381 113.006 1.00 86.76 C ATOM 291 CZ PHE A 39 1.164 32.727 113.464 1.00 80.46 C ATOM 292 N LYS A 40 -3.209 31.744 118.731 1.00 89.98 N ATOM 293 CA LYS A 40 -3.546 31.737 120.146 1.00 77.59 C ATOM 294 C LYS A 40 -2.436 32.422 120.929 1.00 79.51 C ATOM 295 O LYS A 40 -1.471 31.781 121.347 1.00 90.18 O ATOM 296 CB LYS A 40 -3.734 30.303 120.640 1.00 75.05 C ATOM 297 CG LYS A 40 -4.632 29.459 119.753 1.00 74.93 C ATOM 298 CD LYS A 40 -6.031 30.047 119.662 1.00 72.91 C ATOM 299 CE LYS A 40 -6.906 29.226 118.730 1.00 77.57 C ATOM 300 NZ LYS A 40 -8.282 29.785 118.619 1.00 82.87 N ATOM 301 N ASP A 41 -2.574 33.729 121.119 1.00 79.65 N ATOM 302 CA ASP A 41 -1.535 34.515 121.772 1.00 88.30 C ATOM 303 C ASP A 41 -1.907 34.879 123.205 1.00 91.20 C ATOM 304 O ASP A 41 -2.667 35.819 123.440 1.00 83.88 O ATOM 305 CB ASP A 41 -1.240 35.781 120.967 1.00 79.74 C ATOM 306 CG ASP A 41 -0.034 36.536 121.491 1.00 90.65 C ATOM 307 OD1 ASP A 41 0.812 35.915 122.168 1.00 92.39 O ATOM 308 OD2 ASP A 41 0.070 37.752 121.223 1.00 89.44 O ATOM 309 N TYR A 42 -1.365 34.127 124.158 1.00 87.07 N ATOM 310 CA TYR A 42 -1.558 34.419 125.572 1.00 79.05 C ATOM 311 C TYR A 42 -0.215 34.694 126.232 1.00 83.18 C ATOM 312 O TYR A 42 -0.016 34.385 127.405 1.00 89.86 O ATOM 313 CB TYR A 42 -2.251 33.253 126.276 1.00 72.05 C ATOM 314 CG TYR A 42 -3.670 33.009 125.818 1.00 73.30 C ATOM 315 CD1 TYR A 42 -4.735 33.672 126.412 1.00 76.69 C ATOM 316 CD2 TYR A 42 -3.945 32.110 124.796 1.00 76.94 C ATOM 317 CE1 TYR A 42 -6.035 33.450 125.999 1.00 81.91 C ATOM 318 CE2 TYR A 42 -5.242 31.881 124.376 1.00 72.84 C ATOM 319 CZ TYR A 42 -6.282 32.553 124.980 1.00 81.82 C ATOM 320 OH TYR A 42 -7.575 32.328 124.564 1.00 74.22 O ATOM 321 N SER A 43 0.702 35.284 125.472 1.00 88.31 N ATOM 322 CA SER A 43 2.046 35.569 125.963 1.00 91.11 C ATOM 323 C SER A 43 2.061 36.667 127.025 1.00 88.22 C ATOM 324 O SER A 43 3.079 36.894 127.679 1.00 90.53 O ATOM 325 CB SER A 43 2.969 35.945 124.802 1.00 88.68 C ATOM 326 OG SER A 43 2.442 37.030 124.060 1.00 90.10 O ATOM 327 N ASN A 44 0.929 37.345 127.191 1.00 83.53 N ATOM 328 CA ASN A 44 0.801 38.377 128.213 1.00 94.60 C ATOM 329 C ASN A 44 0.306 37.810 129.542 1.00 99.22 C ATOM 330 O ASN A 44 -0.055 38.556 130.453 1.00 86.30 O ATOM 331 CB ASN A 44 -0.120 39.502 127.735 1.00 84.03 C ATOM 332 CG ASN A 44 -1.497 39.004 127.346 1.00 89.58 C ATOM 333 OD1 ASN A 44 -1.645 37.911 126.800 1.00 92.49 O ATOM 334 ND2 ASN A 44 -2.517 39.808 127.627 1.00 95.13 N ATOM 335 N LYS A 45 0.293 36.484 129.643 1.00 93.49 N ATOM 336 CA LYS A 45 -0.115 35.808 130.868 1.00 78.20 C ATOM 337 C LYS A 45 1.109 35.429 131.690 1.00 91.33 C ATOM 338 O LYS A 45 2.241 35.708 131.293 1.00 88.35 O ATOM 339 CB LYS A 45 -0.940 34.562 130.545 1.00 74.49 C ATOM 340 CG LYS A 45 -2.261 34.856 129.854 1.00 76.66 C ATOM 341 CD LYS A 45 -3.187 35.651 130.758 1.00 70.93 C ATOM 342 CE LYS A 45 -4.537 35.883 130.099 1.00 74.87 C ATOM 343 NZ LYS A 45 -5.471 36.625 130.992 1.00 82.84 N ATOM 344 N GLN A 46 0.883 34.791 132.834 1.00 91.43 N ATOM 345 CA GLN A 46 1.981 34.416 133.718 1.00 81.53 C ATOM 346 C GLN A 46 2.273 32.916 133.686 1.00 75.54 C ATOM 347 O GLN A 46 1.361 32.092 133.617 1.00 68.22 O ATOM 348 CB GLN A 46 1.712 34.891 135.150 1.00 88.98 C ATOM 349 CG GLN A 46 0.532 34.219 135.838 1.00 91.11 C ATOM 350 CD GLN A 46 0.937 32.986 136.624 1.00 83.19 C ATOM 351 OE1 GLN A 46 2.121 32.750 136.867 1.00 75.38 O ATOM 352 NE2 GLN A 46 -0.048 32.191 137.027 1.00 70.93 N ATOM 353 N CYS A 47 3.558 32.577 133.729 1.00 67.39 N ATOM 354 CA CYS A 47 4.002 31.189 133.739 1.00 67.67 C ATOM 355 C CYS A 47 5.455 31.133 134.185 1.00 74.53 C ATOM 356 O CYS A 47 6.323 31.747 133.566 1.00 87.43 O ATOM 357 CB CYS A 47 3.859 30.561 132.352 1.00 72.87 C ATOM 358 SG CYS A 47 4.325 28.816 132.277 1.00 77.37 S ATOM 359 N ASP A 48 5.717 30.395 135.259 1.00 75.88 N ATOM 360 CA ASP A 48 7.052 30.361 135.847 1.00 77.70 C ATOM 361 C ASP A 48 7.875 29.149 135.411 1.00 63.18 C ATOM 362 O ASP A 48 9.103 29.160 135.505 1.00 57.10 O ATOM 363 CB ASP A 48 6.961 30.429 137.374 1.00 69.23 C ATOM 364 CG ASP A 48 6.178 31.636 137.855 1.00 75.85 C ATOM 365 OD1 ASP A 48 6.748 32.747 137.878 1.00 84.60 O ATOM 366 OD2 ASP A 48 4.993 31.472 138.212 1.00 71.16 O ATOM 367 N TYR A 49 7.201 28.108 134.934 1.00 67.64 N ATOM 368 CA TYR A 49 7.898 26.930 134.429 1.00 72.16 C ATOM 369 C TYR A 49 7.056 26.171 133.408 1.00 76.22 C ATOM 370 O TYR A 49 5.864 25.946 133.616 1.00 66.37 O ATOM 371 CB TYR A 49 8.294 26.001 135.578 1.00 69.38 C ATOM 372 CG TYR A 49 9.186 24.855 135.159 1.00 66.42 C ATOM 373 CD1 TYR A 49 10.561 25.018 135.071 1.00 64.02 C ATOM 374 CD2 TYR A 49 8.654 23.609 134.855 1.00 70.79 C ATOM 375 CE1 TYR A 49 11.383 23.974 134.690 1.00 68.89 C ATOM 376 CE2 TYR A 49 9.468 22.557 134.473 1.00 67.72 C ATOM 377 CZ TYR A 49 10.831 22.746 134.392 1.00 65.73 C ATOM 378 OH TYR A 49 11.647 21.704 134.013 1.00 68.48 O ATOM 379 N SER A 50 7.685 25.781 132.304 1.00 73.40 N ATOM 380 CA SER A 50 7.007 25.022 131.261 1.00 64.06 C ATOM 381 C SER A 50 7.893 23.904 130.735 1.00 63.78 C ATOM 382 O SER A 50 9.090 24.096 130.519 1.00 67.46 O ATOM 383 CB SER A 50 6.585 25.938 130.112 1.00 60.01 C ATOM 384 OG SER A 50 5.576 26.840 130.524 1.00 78.09 O ATOM 385 N GLU A 51 7.296 22.736 130.527 1.00 65.09 N ATOM 386 CA GLU A 51 8.023 21.590 129.998 1.00 74.43 C ATOM 387 C GLU A 51 7.063 20.561 129.414 1.00 69.35 C ATOM 388 O GLU A 51 5.955 20.375 129.917 1.00 66.29 O ATOM 389 CB GLU A 51 8.872 20.943 131.095 1.00 68.64 C ATOM 390 CG GLU A 51 9.770 19.819 130.603 1.00 71.64 C ATOM 391 CD GLU A 51 10.448 19.077 131.736 1.00 73.07 C ATOM 392 OE1 GLU A 51 10.197 19.425 132.909 1.00 84.91 O ATOM 393 OE2 GLU A 51 11.229 18.145 131.456 1.00 73.85 O ATOM 394 N ILE A 52 7.493 19.899 128.345 1.00 71.50 N ATOM 395 CA ILE A 52 6.736 18.795 127.772 1.00 70.47 C ATOM 396 C ILE A 52 7.471 17.480 127.999 1.00 72.84 C ATOM 397 O ILE A 52 8.611 17.311 127.566 1.00 72.91 O ATOM 398 CB ILE A 52 6.496 18.980 126.270 1.00 62.82 C ATOM 399 CG1 ILE A 52 5.637 20.217 126.017 1.00 63.28 C ATOM 400 CG2 ILE A 52 5.827 17.746 125.687 1.00 60.28 C ATOM 401 CD1 ILE A 52 5.259 20.397 124.570 1.00 79.48 C ATOM 402 N LEU A 53 6.807 16.551 128.677 1.00 60.92 N ATOM 403 CA LEU A 53 7.417 15.274 129.017 1.00 69.17 C ATOM 404 C LEU A 53 6.859 14.152 128.147 1.00 72.09 C ATOM 405 O LEU A 53 5.645 14.013 127.999 1.00 65.05 O ATOM 406 CB LEU A 53 7.204 14.968 130.498 1.00 68.30 C ATOM 407 CG LEU A 53 7.447 16.163 131.419 1.00 65.93 C ATOM 408 CD1 LEU A 53 6.128 16.736 131.916 1.00 69.74 C ATOM 409 CD2 LEU A 53 8.346 15.784 132.580 1.00 73.04 C ATOM 410 N LEU A 54 7.757 13.354 127.579 1.00 78.38 N ATOM 411 CA LEU A 54 7.376 12.312 126.633 1.00 69.59 C ATOM 412 C LEU A 54 7.558 10.912 127.211 1.00 75.72 C ATOM 413 O LEU A 54 8.379 10.705 128.104 1.00 83.15 O ATOM 414 CB LEU A 54 8.209 12.436 125.358 1.00 77.64 C ATOM 415 CG LEU A 54 8.240 13.795 124.666 1.00 78.52 C ATOM 416 CD1 LEU A 54 8.996 13.681 123.357 1.00 69.84 C ATOM 417 CD2 LEU A 54 6.832 14.308 124.436 1.00 72.73 C ATOM 418 N PRO A 55 6.788 9.941 126.694 1.00 77.24 N ATOM 419 CA PRO A 55 6.992 8.534 127.053 1.00 82.51 C ATOM 420 C PRO A 55 8.250 7.973 126.396 1.00 88.30 C ATOM 421 O PRO A 55 8.980 8.713 125.734 1.00 76.12 O ATOM 422 CB PRO A 55 5.742 7.847 126.494 1.00 83.61 C ATOM 423 CG PRO A 55 5.287 8.737 125.388 1.00 72.89 C ATOM 424 CD PRO A 55 5.601 10.128 125.842 1.00 75.70 C ATOM 425 N ASN A 56 8.493 6.678 126.576 1.00101.23 N ATOM 426 CA ASN A 56 9.705 6.042 126.069 1.00 99.82 C ATOM 427 C ASN A 56 9.824 6.069 124.549 1.00 82.71 C ATOM 428 O ASN A 56 10.803 6.582 124.006 1.00 91.22 O ATOM 429 CB ASN A 56 9.797 4.600 126.571 1.00 91.43 C ATOM 430 N ASN A 57 8.828 5.513 123.867 1.00 92.63 N ATOM 431 CA ASN A 57 8.851 5.429 122.411 1.00101.73 C ATOM 432 C ASN A 57 8.231 6.648 121.736 1.00 98.52 C ATOM 433 O ASN A 57 7.343 6.515 120.894 1.00 96.43 O ATOM 434 CB ASN A 57 8.142 4.159 121.938 1.00 91.70 C ATOM 435 N ALA A 58 8.701 7.835 122.107 1.00 92.34 N ATOM 436 CA ALA A 58 8.188 9.072 121.530 1.00 78.20 C ATOM 437 C ALA A 58 9.290 9.835 120.809 1.00 86.64 C ATOM 438 O ALA A 58 10.442 9.842 121.242 1.00 93.13 O ATOM 439 CB ALA A 58 7.555 9.941 122.604 1.00 68.08 C ATOM 440 N ASP A 59 8.925 10.480 119.706 1.00 79.86 N ATOM 441 CA ASP A 59 9.877 11.251 118.919 1.00 83.89 C ATOM 442 C ASP A 59 10.086 12.624 119.549 1.00 89.97 C ATOM 443 O ASP A 59 9.200 13.147 120.223 1.00 80.06 O ATOM 444 CB ASP A 59 9.374 11.392 117.479 1.00 88.55 C ATOM 445 CG ASP A 59 10.462 11.833 116.514 1.00 93.94 C ATOM 446 OD1 ASP A 59 11.249 12.740 116.857 1.00 99.64 O ATOM 447 OD2 ASP A 59 10.530 11.268 115.402 1.00105.36 O ATOM 448 N ASP A 60 11.257 13.207 119.313 1.00 97.36 N ATOM 449 CA ASP A 60 11.609 14.503 119.888 1.00 89.70 C ATOM 450 C ASP A 60 10.749 15.637 119.340 1.00 88.18 C ATOM 451 O ASP A 60 10.794 16.759 119.846 1.00 86.51 O ATOM 452 CB ASP A 60 13.088 14.812 119.647 1.00105.96 C ATOM 453 CG ASP A 60 14.007 13.808 120.312 1.00129.11 C ATOM 454 OD1 ASP A 60 13.634 13.271 121.377 1.00123.92 O ATOM 455 OD2 ASP A 60 15.105 13.555 119.770 1.00128.07 O ATOM 456 N LYS A 61 9.972 15.340 118.303 1.00 89.92 N ATOM 457 CA LYS A 61 9.087 16.322 117.690 1.00 88.69 C ATOM 458 C LYS A 61 8.051 16.832 118.682 1.00 89.19 C ATOM 459 O LYS A 61 7.690 18.008 118.669 1.00 88.59 O ATOM 460 CB LYS A 61 8.364 15.704 116.495 1.00 79.23 C ATOM 461 CG LYS A 61 9.271 15.010 115.502 1.00 83.06 C ATOM 462 CD LYS A 61 8.454 14.358 114.401 1.00 92.79 C ATOM 463 CE LYS A 61 7.457 13.364 114.973 1.00 85.32 C ATOM 464 NZ LYS A 61 6.623 12.741 113.910 1.00 81.64 N ATOM 465 N PHE A 62 7.579 15.939 119.544 1.00 74.67 N ATOM 466 CA PHE A 62 6.478 16.257 120.444 1.00 68.36 C ATOM 467 C PHE A 62 6.873 17.193 121.584 1.00 79.92 C ATOM 468 O PHE A 62 6.014 17.641 122.342 1.00 74.91 O ATOM 469 CB PHE A 62 5.857 14.976 121.001 1.00 74.77 C ATOM 470 CG PHE A 62 5.265 14.083 119.948 1.00 76.01 C ATOM 471 CD1 PHE A 62 3.958 14.258 119.530 1.00 79.68 C ATOM 472 CD2 PHE A 62 6.015 13.069 119.377 1.00 81.13 C ATOM 473 CE1 PHE A 62 3.408 13.438 118.562 1.00 70.82 C ATOM 474 CE2 PHE A 62 5.471 12.246 118.407 1.00 78.56 C ATOM 475 CZ PHE A 62 4.166 12.432 118.000 1.00 68.27 C ATOM 476 N LYS A 63 8.163 17.492 121.708 1.00 83.43 N ATOM 477 CA LYS A 63 8.611 18.448 122.717 1.00 78.47 C ATOM 478 C LYS A 63 8.377 19.881 122.254 1.00 76.23 C ATOM 479 O LYS A 63 8.638 20.834 122.988 1.00 77.78 O ATOM 480 CB LYS A 63 10.079 18.226 123.087 1.00 70.68 C ATOM 481 CG LYS A 63 10.318 16.967 123.905 1.00 71.32 C ATOM 482 CD LYS A 63 11.706 16.950 124.525 1.00 70.16 C ATOM 483 CE LYS A 63 11.792 17.882 125.723 1.00 95.95 C ATOM 484 NZ LYS A 63 10.926 17.423 126.845 1.00 90.45 N ATOM 485 N ASP A 64 7.888 20.025 121.026 1.00 80.39 N ATOM 486 CA ASP A 64 7.451 21.318 120.524 1.00 69.96 C ATOM 487 C ASP A 64 5.959 21.466 120.783 1.00 69.82 C ATOM 488 O ASP A 64 5.158 20.641 120.341 1.00 65.67 O ATOM 489 CB ASP A 64 7.745 21.451 119.032 1.00 73.22 C ATOM 490 CG ASP A 64 7.190 22.730 118.447 1.00 75.38 C ATOM 491 OD1 ASP A 64 7.875 23.771 118.534 1.00 81.85 O ATOM 492 OD2 ASP A 64 6.067 22.695 117.903 1.00 71.70 O ATOM 493 N ARG A 65 5.592 22.517 121.505 1.00 70.25 N ATOM 494 CA ARG A 65 4.215 22.700 121.945 1.00 72.28 C ATOM 495 C ARG A 65 3.264 22.957 120.780 1.00 68.86 C ATOM 496 O ARG A 65 2.100 22.558 120.819 1.00 70.36 O ATOM 497 CB ARG A 65 4.135 23.840 122.961 1.00 60.30 C ATOM 498 CG ARG A 65 2.847 23.871 123.759 1.00 67.80 C ATOM 499 CD ARG A 65 2.965 24.786 124.967 1.00 79.95 C ATOM 500 NE ARG A 65 3.975 24.321 125.915 1.00 75.51 N ATOM 501 CZ ARG A 65 5.190 24.847 126.032 1.00 78.65 C ATOM 502 NH1 ARG A 65 5.554 25.863 125.262 1.00 89.76 N ATOM 503 NH2 ARG A 65 6.043 24.358 126.923 1.00 69.62 N ATOM 504 N GLU A 66 3.767 23.613 119.741 1.00 61.81 N ATOM 505 CA GLU A 66 2.941 23.962 118.593 1.00 63.05 C ATOM 506 C GLU A 66 2.602 22.742 117.741 1.00 62.53 C ATOM 507 O GLU A 66 1.454 22.560 117.334 1.00 60.88 O ATOM 508 CB GLU A 66 3.632 25.026 117.742 1.00 77.24 C ATOM 509 CG GLU A 66 2.729 25.652 116.697 1.00 72.75 C ATOM 510 CD GLU A 66 3.374 26.838 116.015 1.00 78.71 C ATOM 511 OE1 GLU A 66 4.461 26.666 115.427 1.00 86.57 O ATOM 512 OE2 GLU A 66 2.798 27.944 116.077 1.00 70.69 O ATOM 513 N TYR A 67 3.604 21.910 117.472 1.00 53.86 N ATOM 514 CA TYR A 67 3.407 20.709 116.669 1.00 51.79 C ATOM 515 C TYR A 67 2.490 19.719 117.368 1.00 67.99 C ATOM 516 O TYR A 67 1.620 19.115 116.741 1.00 71.66 O ATOM 517 CB TYR A 67 4.749 20.037 116.370 1.00 62.77 C ATOM 518 CG TYR A 67 4.621 18.659 115.753 1.00 78.46 C ATOM 519 CD1 TYR A 67 4.396 18.505 114.392 1.00 77.69 C ATOM 520 CD2 TYR A 67 4.725 17.512 116.534 1.00 75.94 C ATOM 521 CE1 TYR A 67 4.277 17.249 113.823 1.00 78.96 C ATOM 522 CE2 TYR A 67 4.607 16.252 115.974 1.00 85.52 C ATOM 523 CZ TYR A 67 4.383 16.127 114.618 1.00 94.17 C ATOM 524 OH TYR A 67 4.266 14.877 114.053 1.00 82.44 O ATOM 525 N LEU A 68 2.702 19.558 118.670 1.00 74.93 N ATOM 526 CA LEU A 68 1.982 18.569 119.464 1.00 56.40 C ATOM 527 C LEU A 68 0.465 18.716 119.384 1.00 60.67 C ATOM 528 O LEU A 68 -0.229 17.789 118.970 1.00 59.14 O ATOM 529 CB LEU A 68 2.436 18.630 120.924 1.00 67.97 C ATOM 530 CG LEU A 68 1.652 17.777 121.922 1.00 67.97 C ATOM 531 CD1 LEU A 68 1.764 16.305 121.569 1.00 63.56 C ATOM 532 CD2 LEU A 68 2.138 18.032 123.340 1.00 63.04 C ATOM 533 N TRP A 69 -0.043 19.881 119.768 1.00 57.09 N ATOM 534 CA TRP A 69 -1.485 20.075 119.878 1.00 60.74 C ATOM 535 C TRP A 69 -2.187 20.267 118.536 1.00 70.39 C ATOM 536 O TRP A 69 -3.411 20.157 118.451 1.00 78.06 O ATOM 537 CB TRP A 69 -1.800 21.216 120.844 1.00 65.63 C ATOM 538 CG TRP A 69 -1.233 20.964 122.202 1.00 72.31 C ATOM 539 CD1 TRP A 69 -0.209 21.636 122.800 1.00 68.12 C ATOM 540 CD2 TRP A 69 -1.634 19.942 123.123 1.00 59.96 C ATOM 541 NE1 TRP A 69 0.041 21.109 124.043 1.00 70.24 N ATOM 542 CE2 TRP A 69 -0.820 20.066 124.264 1.00 60.61 C ATOM 543 CE3 TRP A 69 -2.609 18.939 123.096 1.00 57.29 C ATOM 544 CZ2 TRP A 69 -0.948 19.228 125.367 1.00 72.26 C ATOM 545 CZ3 TRP A 69 -2.735 18.108 124.192 1.00 62.69 C ATOM 546 CH2 TRP A 69 -1.910 18.257 125.312 1.00 67.50 C ATOM 547 N ASN A 70 -1.417 20.555 117.491 1.00 67.86 N ATOM 548 CA ASN A 70 -1.962 20.548 116.140 1.00 69.30 C ATOM 549 C ASN A 70 -2.057 19.117 115.636 1.00 64.37 C ATOM 550 O ASN A 70 -2.993 18.756 114.923 1.00 64.95 O ATOM 551 CB ASN A 70 -1.106 21.387 115.190 1.00 72.15 C ATOM 552 CG ASN A 70 -1.326 22.874 115.369 1.00 71.04 C ATOM 553 OD1 ASN A 70 -2.276 23.442 114.830 1.00 61.79 O ATOM 554 ND2 ASN A 70 -0.446 23.514 116.128 1.00 65.48 N ATOM 555 N LYS A 71 -1.076 18.305 116.017 1.00 63.74 N ATOM 556 CA LYS A 71 -1.083 16.887 115.690 1.00 68.62 C ATOM 557 C LYS A 71 -2.232 16.205 116.422 1.00 67.55 C ATOM 558 O LYS A 71 -2.841 15.269 115.907 1.00 63.82 O ATOM 559 CB LYS A 71 0.247 16.244 116.081 1.00 66.07 C ATOM 560 CG LYS A 71 0.396 14.797 115.644 1.00 68.40 C ATOM 561 CD LYS A 71 0.557 14.690 114.136 1.00 88.25 C ATOM 562 CE LYS A 71 0.818 13.254 113.713 1.00 88.11 C ATOM 563 NZ LYS A 71 1.019 13.135 112.243 1.00 75.71 N ATOM 564 N VAL A 72 -2.522 16.686 117.627 1.00 65.83 N ATOM 565 CA VAL A 72 -3.635 16.170 118.415 1.00 64.41 C ATOM 566 C VAL A 72 -4.966 16.586 117.800 1.00 61.11 C ATOM 567 O VAL A 72 -5.857 15.758 117.616 1.00 64.05 O ATOM 568 CB VAL A 72 -3.566 16.648 119.877 1.00 64.19 C ATOM 569 CG1 VAL A 72 -4.849 16.300 120.614 1.00 55.83 C ATOM 570 CG2 VAL A 72 -2.366 16.034 120.576 1.00 48.73 C ATOM 571 N HIS A 73 -5.092 17.870 117.475 1.00 64.32 N ATOM 572 CA HIS A 73 -6.296 18.386 116.828 1.00 67.14 C ATOM 573 C HIS A 73 -6.580 17.659 115.520 1.00 70.73 C ATOM 574 O HIS A 73 -7.735 17.506 115.122 1.00 69.45 O ATOM 575 CB HIS A 73 -6.163 19.887 116.565 1.00 61.93 C ATOM 576 CG HIS A 73 -6.608 20.743 117.709 1.00 76.35 C ATOM 577 ND1 HIS A 73 -6.309 22.086 117.791 1.00 79.16 N ATOM 578 CD2 HIS A 73 -7.338 20.451 118.811 1.00 77.28 C ATOM 579 CE1 HIS A 73 -6.832 22.583 118.898 1.00 72.91 C ATOM 580 NE2 HIS A 73 -7.461 21.612 119.535 1.00 65.45 N ATOM 581 N ASP A 74 -5.517 17.215 114.858 1.00 65.38 N ATOM 582 CA ASP A 74 -5.635 16.466 113.615 1.00 69.78 C ATOM 583 C ASP A 74 -6.381 15.152 113.826 1.00 72.85 C ATOM 584 O ASP A 74 -7.246 14.781 113.031 1.00 75.09 O ATOM 585 CB ASP A 74 -4.248 16.186 113.039 1.00 78.45 C ATOM 586 CG ASP A 74 -4.300 15.364 111.770 1.00 80.02 C ATOM 587 OD1 ASP A 74 -5.258 15.538 110.988 1.00 92.82 O ATOM 588 OD2 ASP A 74 -3.384 14.543 111.554 1.00 75.25 O ATOM 589 N VAL A 75 -6.038 14.451 114.901 1.00 71.58 N ATOM 590 CA VAL A 75 -6.670 13.178 115.219 1.00 62.85 C ATOM 591 C VAL A 75 -8.064 13.409 115.797 1.00 63.93 C ATOM 592 O VAL A 75 -8.967 12.594 115.613 1.00 73.24 O ATOM 593 CB VAL A 75 -5.819 12.361 116.209 1.00 66.22 C ATOM 594 CG1 VAL A 75 -6.355 10.945 116.329 1.00 66.17 C ATOM 595 CG2 VAL A 75 -4.369 12.334 115.759 1.00 69.20 C ATOM 596 N GLU A 76 -8.232 14.530 116.490 1.00 69.26 N ATOM 597 CA GLU A 76 -9.523 14.900 117.058 1.00 66.40 C ATOM 598 C GLU A 76 -10.365 15.689 116.064 1.00 84.44 C ATOM 599 O GLU A 76 -10.885 16.758 116.388 1.00 87.80 O ATOM 600 CB GLU A 76 -9.325 15.723 118.330 1.00 65.98 C ATOM 601 CG GLU A 76 -9.444 14.923 119.614 1.00 74.84 C ATOM 602 CD GLU A 76 -8.345 13.892 119.774 1.00 70.23 C ATOM 603 OE1 GLU A 76 -8.554 12.916 120.520 1.00 58.54 O ATOM 604 OE2 GLU A 76 -7.269 14.057 119.168 1.00 66.38 O ATOM 605 N ASN A 77 -10.503 15.152 114.856 1.00 83.43 N ATOM 606 CA ASN A 77 -11.231 15.832 113.792 1.00 62.18 C ATOM 607 C ASN A 77 -12.744 15.685 113.912 1.00 67.41 C ATOM 608 O ASN A 77 -13.405 15.229 112.980 1.00100.97 O ATOM 609 CB ASN A 77 -10.768 15.327 112.424 1.00 72.13 C ATOM 610 N ARG A 78 -13.287 16.070 115.062 1.00 62.97 N ATOM 611 CA ARG A 78 -14.731 16.062 115.272 1.00 66.45 C ATOM 612 C ARG A 78 -15.165 17.345 115.970 1.00 78.57 C ATOM 613 O ARG A 78 -14.374 17.971 116.674 1.00 80.36 O ATOM 614 CB ARG A 78 -15.159 14.844 116.093 1.00 65.68 C ATOM 615 CG ARG A 78 -14.937 13.510 115.401 1.00 73.87 C ATOM 616 CD ARG A 78 -15.665 12.394 116.126 1.00 75.88 C ATOM 617 NE ARG A 78 -15.483 11.100 115.475 1.00 66.39 N ATOM 618 CZ ARG A 78 -16.164 10.005 115.794 1.00 75.14 C ATOM 619 NH1 ARG A 78 -17.079 10.049 116.753 1.00 73.96 N ATOM 620 NH2 ARG A 78 -15.937 8.867 115.152 1.00 67.02 N ATOM 621 N LYS A 79 -16.422 17.732 115.779 1.00 79.31 N ATOM 622 CA LYS A 79 -16.921 18.981 116.345 1.00 71.80 C ATOM 623 C LYS A 79 -17.212 18.851 117.838 1.00 71.00 C ATOM 624 O LYS A 79 -17.461 19.846 118.519 1.00 78.82 O ATOM 625 CB LYS A 79 -18.172 19.453 115.603 1.00 60.01 C ATOM 626 CG LYS A 79 -19.427 18.666 115.930 1.00 57.66 C ATOM 627 CD LYS A 79 -20.636 19.265 115.233 1.00 77.23 C ATOM 628 CE LYS A 79 -21.922 18.625 115.721 1.00 83.19 C ATOM 629 NZ LYS A 79 -23.120 19.178 115.029 1.00 81.25 N ATOM 630 N ASN A 80 -17.178 17.622 118.341 1.00 69.51 N ATOM 631 CA ASN A 80 -17.413 17.372 119.758 1.00 69.32 C ATOM 632 C ASN A 80 -16.271 16.585 120.389 1.00 66.33 C ATOM 633 O ASN A 80 -16.387 16.095 121.513 1.00 74.29 O ATOM 634 CB ASN A 80 -18.738 16.636 119.961 1.00 61.53 C ATOM 635 CG ASN A 80 -18.799 15.324 119.203 1.00 71.50 C ATOM 636 OD1 ASN A 80 -18.071 15.118 118.232 1.00 83.69 O ATOM 637 ND2 ASN A 80 -19.678 14.430 119.642 1.00 68.76 N ATOM 638 N SER A 81 -15.166 16.482 119.658 1.00 66.46 N ATOM 639 CA SER A 81 -14.019 15.685 120.078 1.00 68.64 C ATOM 640 C SER A 81 -13.341 16.224 121.332 1.00 69.82 C ATOM 641 O SER A 81 -13.038 17.413 121.426 1.00 65.98 O ATOM 642 CB SER A 81 -12.995 15.601 118.945 1.00 62.71 C ATOM 643 OG SER A 81 -12.845 14.270 118.488 1.00 68.70 O ATOM 644 N GLN A 82 -13.105 15.336 122.293 1.00 67.18 N ATOM 645 CA GLN A 82 -12.311 15.670 123.465 1.00 54.53 C ATOM 646 C GLN A 82 -10.844 15.620 123.064 1.00 56.87 C ATOM 647 O GLN A 82 -10.347 14.576 122.642 1.00 70.40 O ATOM 648 CB GLN A 82 -12.580 14.676 124.593 1.00 51.73 C ATOM 649 CG GLN A 82 -14.023 14.645 125.067 1.00 61.62 C ATOM 650 CD GLN A 82 -14.248 13.626 126.165 1.00 67.56 C ATOM 651 OE1 GLN A 82 -13.435 12.724 126.364 1.00 70.96 O ATOM 652 NE2 GLN A 82 -15.352 13.768 126.888 1.00 67.02 N ATOM 653 N VAL A 83 -10.150 16.746 123.187 1.00 62.70 N ATOM 654 CA VAL A 83 -8.782 16.841 122.688 1.00 62.59 C ATOM 655 C VAL A 83 -7.719 16.453 123.714 1.00 55.70 C ATOM 656 O VAL A 83 -6.677 15.907 123.352 1.00 57.54 O ATOM 657 CB VAL A 83 -8.471 18.243 122.122 1.00 68.59 C ATOM 658 CG1 VAL A 83 -9.296 18.500 120.874 1.00 61.24 C ATOM 659 CG2 VAL A 83 -8.729 19.315 123.170 1.00 58.94 C ATOM 660 N ALA A 84 -7.979 16.729 124.987 1.00 62.27 N ATOM 661 CA ALA A 84 -6.990 16.460 126.023 1.00 64.65 C ATOM 662 C ALA A 84 -7.603 16.341 127.413 1.00 62.49 C ATOM 663 O ALA A 84 -8.793 16.590 127.609 1.00 57.60 O ATOM 664 CB ALA A 84 -5.911 17.536 126.014 1.00 54.95 C ATOM 665 N ARG A 85 -6.770 15.953 128.372 1.00 64.45 N ATOM 666 CA ARG A 85 -7.165 15.888 129.769 1.00 53.70 C ATOM 667 C ARG A 85 -6.324 16.863 130.574 1.00 54.04 C ATOM 668 O ARG A 85 -5.097 16.835 130.503 1.00 62.97 O ATOM 669 CB ARG A 85 -6.955 14.478 130.315 1.00 60.23 C ATOM 670 CG ARG A 85 -7.034 14.388 131.830 1.00 69.39 C ATOM 671 CD ARG A 85 -6.555 13.036 132.333 1.00 52.87 C ATOM 672 NE ARG A 85 -7.238 11.932 131.666 1.00 64.88 N ATOM 673 CZ ARG A 85 -8.441 11.482 132.010 1.00 66.78 C ATOM 674 NH1 ARG A 85 -9.100 12.045 133.013 1.00 70.93 N ATOM 675 NH2 ARG A 85 -8.986 10.472 131.349 1.00 65.71 N ATOM 676 N GLU A 86 -6.978 17.728 131.340 1.00 49.97 N ATOM 677 CA GLU A 86 -6.245 18.658 132.187 1.00 58.00 C ATOM 678 C GLU A 86 -6.283 18.232 133.648 1.00 65.93 C ATOM 679 O GLU A 86 -7.353 18.015 134.218 1.00 63.28 O ATOM 680 CB GLU A 86 -6.782 20.082 132.046 1.00 60.77 C ATOM 681 CG GLU A 86 -5.974 21.102 132.834 1.00 45.60 C ATOM 682 CD GLU A 86 -6.488 22.518 132.670 1.00 63.43 C ATOM 683 OE1 GLU A 86 -7.672 22.689 132.314 1.00 65.54 O ATOM 684 OE2 GLU A 86 -5.704 23.463 132.899 1.00 67.34 O ATOM 685 N ILE A 87 -5.103 18.115 134.246 1.00 60.16 N ATOM 686 CA ILE A 87 -4.989 17.818 135.664 1.00 56.52 C ATOM 687 C ILE A 87 -4.263 18.949 136.372 1.00 59.44 C ATOM 688 O ILE A 87 -3.090 19.208 136.098 1.00 64.17 O ATOM 689 CB ILE A 87 -4.220 16.512 135.910 1.00 58.50 C ATOM 690 CG1 ILE A 87 -4.999 15.320 135.357 1.00 59.24 C ATOM 691 CG2 ILE A 87 -3.954 16.324 137.394 1.00 58.86 C ATOM 692 CD1 ILE A 87 -4.305 13.997 135.570 1.00 41.79 C ATOM 693 N ILE A 88 -4.958 19.633 137.274 1.00 57.35 N ATOM 694 CA ILE A 88 -4.309 20.664 138.072 1.00 67.80 C ATOM 695 C ILE A 88 -4.099 20.173 139.499 1.00 61.82 C ATOM 696 O ILE A 88 -4.946 19.479 140.065 1.00 66.84 O ATOM 697 CB ILE A 88 -5.073 22.011 138.050 1.00 67.53 C ATOM 698 CG1 ILE A 88 -6.320 21.965 138.934 1.00 79.09 C ATOM 699 CG2 ILE A 88 -5.443 22.388 136.626 1.00 58.68 C ATOM 700 CD1 ILE A 88 -6.984 23.313 139.113 1.00 84.27 C ATOM 701 N ILE A 89 -2.949 20.513 140.067 1.00 61.44 N ATOM 702 CA ILE A 89 -2.606 20.070 141.411 1.00 66.73 C ATOM 703 C ILE A 89 -2.107 21.227 142.263 1.00 63.43 C ATOM 704 O ILE A 89 -1.386 22.100 141.782 1.00 67.48 O ATOM 705 CB ILE A 89 -1.536 18.959 141.388 1.00 58.90 C ATOM 706 CG1 ILE A 89 -0.332 19.391 140.546 1.00 49.02 C ATOM 707 CG2 ILE A 89 -2.122 17.666 140.849 1.00 58.57 C ATOM 708 CD1 ILE A 89 0.732 18.324 140.410 1.00 38.96 C ATOM 709 N GLY A 90 -2.501 21.227 143.531 1.00 59.74 N ATOM 710 CA GLY A 90 -2.054 22.242 144.464 1.00 62.64 C ATOM 711 C GLY A 90 -0.656 21.942 144.965 1.00 61.34 C ATOM 712 O GLY A 90 -0.378 20.838 145.430 1.00 60.83 O ATOM 713 N LEU A 91 0.230 22.927 144.862 1.00 56.46 N ATOM 714 CA LEU A 91 1.598 22.777 145.340 1.00 67.87 C ATOM 715 C LEU A 91 1.764 23.462 146.694 1.00 67.98 C ATOM 716 O LEU A 91 1.210 24.537 146.918 1.00 66.83 O ATOM 717 CB LEU A 91 2.583 23.365 144.328 1.00 72.77 C ATOM 718 CG LEU A 91 2.567 22.753 142.928 1.00 62.17 C ATOM 719 CD1 LEU A 91 3.589 23.437 142.032 1.00 47.02 C ATOM 720 CD2 LEU A 91 2.834 21.261 143.001 1.00 56.77 C ATOM 721 N PRO A 92 2.529 22.838 147.602 1.00 71.37 N ATOM 722 CA PRO A 92 2.793 23.393 148.936 1.00 74.91 C ATOM 723 C PRO A 92 3.515 24.735 148.854 1.00 77.12 C ATOM 724 O PRO A 92 4.596 24.815 148.270 1.00 79.30 O ATOM 725 CB PRO A 92 3.699 22.339 149.581 1.00 64.42 C ATOM 726 CG PRO A 92 4.277 21.572 148.438 1.00 71.68 C ATOM 727 CD PRO A 92 3.215 21.552 147.393 1.00 72.42 C ATOM 728 N ASN A 93 2.921 25.770 149.440 1.00 73.88 N ATOM 729 CA ASN A 93 3.452 27.126 149.326 1.00 79.09 C ATOM 730 C ASN A 93 4.650 27.417 150.230 1.00 78.00 C ATOM 731 O ASN A 93 5.207 28.514 150.192 1.00 74.47 O ATOM 732 CB ASN A 93 2.347 28.160 149.557 1.00 67.17 C ATOM 733 CG ASN A 93 1.717 28.045 150.928 1.00 74.70 C ATOM 734 OD1 ASN A 93 1.799 27.004 151.580 1.00 89.21 O ATOM 735 ND2 ASN A 93 1.074 29.119 151.371 1.00 86.40 N ATOM 736 N GLU A 94 5.048 26.441 151.039 1.00 71.50 N ATOM 737 CA GLU A 94 6.244 26.591 151.861 1.00 81.31 C ATOM 738 C GLU A 94 7.485 26.147 151.097 1.00 80.59 C ATOM 739 O GLU A 94 8.613 26.382 151.531 1.00 85.97 O ATOM 740 CB GLU A 94 6.121 25.813 153.173 1.00 72.76 C ATOM 741 CG GLU A 94 5.632 24.387 153.017 1.00 66.97 C ATOM 742 CD GLU A 94 4.128 24.279 153.139 1.00 77.07 C ATOM 743 OE1 GLU A 94 3.516 25.187 153.741 1.00 74.03 O ATOM 744 OE2 GLU A 94 3.557 23.291 152.634 1.00 81.91 O ATOM 745 N PHE A 95 7.265 25.505 149.956 1.00 78.90 N ATOM 746 CA PHE A 95 8.359 25.069 149.100 1.00 78.31 C ATOM 747 C PHE A 95 8.957 26.232 148.321 1.00 82.45 C ATOM 748 O PHE A 95 8.249 27.158 147.921 1.00 74.28 O ATOM 749 CB PHE A 95 7.875 24.011 148.108 1.00 69.87 C ATOM 750 CG PHE A 95 7.962 22.604 148.622 1.00 82.01 C ATOM 751 CD1 PHE A 95 8.268 22.349 149.946 1.00 88.07 C ATOM 752 CD2 PHE A 95 7.733 21.535 147.774 1.00 71.82 C ATOM 753 CE1 PHE A 95 8.346 21.052 150.413 1.00 78.28 C ATOM 754 CE2 PHE A 95 7.811 20.237 148.235 1.00 73.84 C ATOM 755 CZ PHE A 95 8.117 19.996 149.556 1.00 80.07 C ATOM 756 N ASP A 96 10.266 26.173 148.105 1.00 88.22 N ATOM 757 CA ASP A 96 10.933 27.102 147.206 1.00 83.88 C ATOM 758 C ASP A 96 10.652 26.639 145.780 1.00 86.43 C ATOM 759 O ASP A 96 10.362 25.462 145.566 1.00 82.03 O ATOM 760 CB ASP A 96 12.437 27.131 147.487 1.00 82.20 C ATOM 761 CG ASP A 96 13.072 25.761 147.400 1.00 94.22 C ATOM 762 OD1 ASP A 96 13.107 25.060 148.433 1.00101.63 O ATOM 763 OD2 ASP A 96 13.538 25.388 146.302 1.00 95.10 O ATOM 764 N PRO A 97 10.709 27.565 144.805 1.00 81.82 N ATOM 765 CA PRO A 97 10.429 27.248 143.399 1.00 82.28 C ATOM 766 C PRO A 97 11.182 26.022 142.885 1.00 76.92 C ATOM 767 O PRO A 97 10.577 25.167 142.240 1.00 76.44 O ATOM 768 CB PRO A 97 10.909 28.499 142.665 1.00 75.78 C ATOM 769 CG PRO A 97 10.692 29.589 143.635 1.00 78.41 C ATOM 770 CD PRO A 97 10.965 29.004 144.995 1.00 80.15 C ATOM 771 N ASN A 98 12.477 25.940 143.177 1.00 76.87 N ATOM 772 CA ASN A 98 13.303 24.836 142.696 1.00 83.20 C ATOM 773 C ASN A 98 12.811 23.466 143.157 1.00 79.24 C ATOM 774 O ASN A 98 12.826 22.504 142.389 1.00 76.56 O ATOM 775 CB ASN A 98 14.765 25.038 143.103 1.00 84.46 C ATOM 776 N SER A 99 12.372 23.383 144.409 1.00 87.68 N ATOM 777 CA SER A 99 11.858 22.131 144.954 1.00 87.95 C ATOM 778 C SER A 99 10.412 21.903 144.525 1.00 75.38 C ATOM 779 O SER A 99 9.958 20.763 144.429 1.00 67.51 O ATOM 780 CB SER A 99 11.972 22.114 146.480 1.00 70.20 C ATOM 781 OG SER A 99 11.263 23.196 147.056 1.00 83.95 O ATOM 782 N ASN A 100 9.694 22.992 144.269 1.00 73.95 N ATOM 783 CA ASN A 100 8.324 22.901 143.780 1.00 68.36 C ATOM 784 C ASN A 100 8.282 22.363 142.357 1.00 78.01 C ATOM 785 O ASN A 100 7.326 21.698 141.961 1.00 74.30 O ATOM 786 CB ASN A 100 7.636 24.264 143.844 1.00 67.59 C ATOM 787 CG ASN A 100 6.530 24.310 144.875 1.00 75.12 C ATOM 788 OD1 ASN A 100 5.941 23.284 145.217 1.00 70.57 O ATOM 789 ND2 ASN A 100 6.238 25.504 145.375 1.00 74.54 N ATOM 790 N ILE A 101 9.325 22.659 141.590 1.00 69.62 N ATOM 791 CA ILE A 101 9.426 22.178 140.220 1.00 67.50 C ATOM 792 C ILE A 101 9.662 20.674 140.191 1.00 76.12 C ATOM 793 O ILE A 101 8.957 19.942 139.496 1.00 83.62 O ATOM 794 CB ILE A 101 10.559 22.882 139.458 1.00 68.48 C ATOM 795 CG1 ILE A 101 10.207 24.351 139.227 1.00 70.24 C ATOM 796 CG2 ILE A 101 10.819 22.194 138.129 1.00 64.28 C ATOM 797 CD1 ILE A 101 11.316 25.148 138.587 1.00 67.49 C ATOM 798 N GLU A 102 10.653 20.220 140.953 1.00 72.11 N ATOM 799 CA GLU A 102 11.017 18.807 140.989 1.00 74.88 C ATOM 800 C GLU A 102 9.862 17.933 141.465 1.00 67.91 C ATOM 801 O GLU A 102 9.713 16.793 141.023 1.00 68.56 O ATOM 802 CB GLU A 102 12.246 18.590 141.876 1.00 73.73 C ATOM 803 CG GLU A 102 13.492 19.322 141.402 1.00 79.48 C ATOM 804 CD GLU A 102 14.048 18.766 140.102 1.00106.99 C ATOM 805 OE1 GLU A 102 14.805 19.490 139.423 1.00100.22 O ATOM 806 OE2 GLU A 102 13.739 17.603 139.764 1.00105.63 O ATOM 807 N LEU A 103 9.046 18.475 142.362 1.00 67.53 N ATOM 808 CA LEU A 103 7.872 17.767 142.857 1.00 72.96 C ATOM 809 C LEU A 103 6.855 17.557 141.742 1.00 75.73 C ATOM 810 O LEU A 103 6.405 16.437 141.502 1.00 83.01 O ATOM 811 CB LEU A 103 7.232 18.537 144.013 1.00 68.37 C ATOM 812 CG LEU A 103 5.864 18.039 144.479 1.00 62.32 C ATOM 813 CD1 LEU A 103 5.954 16.599 144.951 1.00 60.98 C ATOM 814 CD2 LEU A 103 5.311 18.934 145.578 1.00 60.75 C ATOM 815 N ALA A 104 6.500 18.643 141.062 1.00 73.53 N ATOM 816 CA ALA A 104 5.535 18.583 139.973 1.00 73.67 C ATOM 817 C ALA A 104 6.095 17.816 138.781 1.00 68.25 C ATOM 818 O ALA A 104 5.351 17.167 138.046 1.00 72.44 O ATOM 819 CB ALA A 104 5.118 19.983 139.556 1.00 69.78 C ATOM 820 N LYS A 105 7.408 17.896 138.592 1.00 68.64 N ATOM 821 CA LYS A 105 8.058 17.198 137.491 1.00 75.28 C ATOM 822 C LYS A 105 7.981 15.685 137.672 1.00 76.04 C ATOM 823 O LYS A 105 7.778 14.948 136.708 1.00 74.71 O ATOM 824 CB LYS A 105 9.519 17.634 137.353 1.00 74.43 C ATOM 825 CG LYS A 105 10.264 16.911 136.241 1.00 83.32 C ATOM 826 CD LYS A 105 11.751 17.222 136.248 1.00 94.27 C ATOM 827 CE LYS A 105 12.055 18.542 135.558 1.00 83.74 C ATOM 828 NZ LYS A 105 13.524 18.737 135.392 1.00 81.98 N ATOM 829 N GLU A 106 8.137 15.226 138.910 1.00 84.40 N ATOM 830 CA GLU A 106 8.137 13.793 139.190 1.00 83.23 C ATOM 831 C GLU A 106 6.772 13.154 138.953 1.00 79.04 C ATOM 832 O GLU A 106 6.675 12.091 138.339 1.00 86.59 O ATOM 833 CB GLU A 106 8.603 13.508 140.619 1.00 65.12 C ATOM 834 CG GLU A 106 8.580 12.028 140.973 1.00 78.22 C ATOM 835 CD GLU A 106 9.212 11.730 142.315 1.00 83.53 C ATOM 836 OE1 GLU A 106 9.766 12.662 142.935 1.00 88.85 O ATOM 837 OE2 GLU A 106 9.156 10.560 142.749 1.00 78.47 O ATOM 838 N PHE A 107 5.721 13.802 139.443 1.00 69.83 N ATOM 839 CA PHE A 107 4.370 13.282 139.284 1.00 72.31 C ATOM 840 C PHE A 107 3.954 13.273 137.819 1.00 71.41 C ATOM 841 O PHE A 107 3.208 12.398 137.379 1.00 69.10 O ATOM 842 CB PHE A 107 3.377 14.103 140.105 1.00 58.71 C ATOM 843 CG PHE A 107 1.952 13.664 139.940 1.00 56.20 C ATOM 844 CD1 PHE A 107 1.489 12.527 140.578 1.00 55.38 C ATOM 845 CD2 PHE A 107 1.077 14.381 139.142 1.00 54.96 C ATOM 846 CE1 PHE A 107 0.181 12.116 140.429 1.00 54.04 C ATOM 847 CE2 PHE A 107 -0.235 13.974 138.989 1.00 53.78 C ATOM 848 CZ PHE A 107 -0.683 12.840 139.634 1.00 57.55 C ATOM 849 N ALA A 108 4.438 14.256 137.068 1.00 69.38 N ATOM 850 CA ALA A 108 4.143 14.345 135.645 1.00 74.85 C ATOM 851 C ALA A 108 4.811 13.203 134.886 1.00 77.05 C ATOM 852 O ALA A 108 4.257 12.680 133.920 1.00 72.15 O ATOM 853 CB ALA A 108 4.594 15.685 135.095 1.00 60.48 C ATOM 854 N GLU A 109 6.004 12.822 135.332 1.00 75.37 N ATOM 855 CA GLU A 109 6.746 11.735 134.706 1.00 65.29 C ATOM 856 C GLU A 109 6.114 10.384 135.015 1.00 72.40 C ATOM 857 O GLU A 109 6.329 9.409 134.296 1.00 77.08 O ATOM 858 CB GLU A 109 8.208 11.755 135.151 1.00 77.81 C ATOM 859 CG GLU A 109 9.010 12.882 134.532 1.00 73.29 C ATOM 860 CD GLU A 109 10.393 13.012 135.129 1.00 93.10 C ATOM 861 OE1 GLU A 109 10.632 12.437 136.211 1.00 96.47 O ATOM 862 OE2 GLU A 109 11.242 13.691 134.514 1.00 85.45 O ATOM 863 N SER A 110 5.333 10.332 136.089 1.00 75.19 N ATOM 864 CA SER A 110 4.611 9.116 136.438 1.00 76.42 C ATOM 865 C SER A 110 3.402 8.944 135.524 1.00 72.09 C ATOM 866 O SER A 110 2.814 7.866 135.455 1.00 66.88 O ATOM 867 CB SER A 110 4.172 9.147 137.903 1.00 69.14 C ATOM 868 OG SER A 110 3.264 10.206 138.145 1.00 78.99 O ATOM 869 N LEU A 111 3.039 10.015 134.825 1.00 75.58 N ATOM 870 CA LEU A 111 1.951 9.967 133.857 1.00 72.79 C ATOM 871 C LEU A 111 2.485 9.614 132.474 1.00 68.87 C ATOM 872 O LEU A 111 1.846 8.883 131.718 1.00 63.06 O ATOM 873 CB LEU A 111 1.213 11.304 133.807 1.00 59.86 C ATOM 874 CG LEU A 111 0.499 11.737 135.085 1.00 65.96 C ATOM 875 CD1 LEU A 111 -0.216 13.061 134.875 1.00 52.93 C ATOM 876 CD2 LEU A 111 -0.476 10.663 135.534 1.00 69.19 C ATOM 877 N SER A 112 3.665 10.134 132.150 1.00 69.51 N ATOM 878 CA SER A 112 4.299 9.843 130.870 1.00 73.69 C ATOM 879 C SER A 112 4.852 8.422 130.849 1.00 79.56 C ATOM 880 O SER A 112 5.274 7.924 129.806 1.00 81.84 O ATOM 881 CB SER A 112 5.413 10.849 130.574 1.00 66.94 C ATOM 882 OG SER A 112 6.483 10.718 131.493 1.00 71.55 O ATOM 883 N ASN A 113 4.847 7.775 132.010 1.00 80.19 N ATOM 884 CA ASN A 113 5.291 6.394 132.126 1.00 82.55 C ATOM 885 C ASN A 113 4.167 5.411 131.827 1.00 79.01 C ATOM 886 O ASN A 113 4.360 4.197 131.883 1.00 95.34 O ATOM 887 CB ASN A 113 5.839 6.136 133.530 1.00 81.49 C ATOM 888 CG ASN A 113 7.341 5.954 133.543 1.00 97.17 C ATOM 889 OD1 ASN A 113 7.840 4.832 133.633 1.00 96.26 O ATOM 890 ND2 ASN A 113 8.072 7.059 133.449 1.00 98.44 N ATOM 891 N GLU A 114 2.992 5.941 131.506 1.00 72.75 N ATOM 892 CA GLU A 114 1.800 5.111 131.325 1.00 79.48 C ATOM 893 C GLU A 114 1.207 4.807 129.921 1.00 75.88 C ATOM 894 O GLU A 114 0.380 3.901 129.832 1.00 89.06 O ATOM 895 CB GLU A 114 0.683 5.589 132.263 1.00 71.81 C ATOM 896 CG GLU A 114 1.028 5.450 133.738 1.00 69.24 C ATOM 897 CD GLU A 114 -0.131 5.808 134.646 1.00 74.96 C ATOM 898 OE1 GLU A 114 0.078 6.597 135.591 1.00 69.20 O ATOM 899 OE2 GLU A 114 -1.247 5.294 134.420 1.00 69.86 O ATOM 900 N GLY A 115 1.568 5.504 128.835 1.00 71.10 N ATOM 901 CA GLY A 115 2.508 6.608 128.779 1.00 68.66 C ATOM 902 C GLY A 115 1.987 7.741 127.921 1.00 78.83 C ATOM 903 O GLY A 115 2.018 7.673 126.692 1.00 64.42 O HETATM 904 N MSE A 116 1.506 8.788 128.581 1.00 78.73 N HETATM 905 CA MSE A 116 0.907 9.925 127.899 1.00 66.10 C HETATM 906 C MSE A 116 1.956 10.993 127.621 1.00 68.10 C HETATM 907 O MSE A 116 3.092 10.899 128.084 1.00 66.05 O HETATM 908 CB MSE A 116 -0.207 10.516 128.765 1.00 65.20 C HETATM 909 CG MSE A 116 -0.707 9.561 129.838 1.00 73.47 C HETATM 910 SE MSE A 116 -1.771 10.421 131.225 1.00102.59 SE HETATM 911 CE MSE A 116 -3.375 10.777 130.196 1.00 64.14 C ATOM 912 N ILE A 117 1.571 12.005 126.852 1.00 69.36 N ATOM 913 CA ILE A 117 2.408 13.181 126.672 1.00 62.55 C ATOM 914 C ILE A 117 1.879 14.283 127.578 1.00 62.26 C ATOM 915 O ILE A 117 0.702 14.638 127.511 1.00 64.37 O ATOM 916 CB ILE A 117 2.407 13.669 125.217 1.00 72.34 C ATOM 917 CG1 ILE A 117 2.954 12.583 124.289 1.00 72.10 C ATOM 918 CG2 ILE A 117 3.226 14.943 125.088 1.00 60.87 C ATOM 919 CD1 ILE A 117 3.055 13.012 122.845 1.00 61.92 C ATOM 920 N VAL A 118 2.748 14.818 128.428 1.00 59.41 N ATOM 921 CA VAL A 118 2.324 15.779 129.437 1.00 60.17 C ATOM 922 C VAL A 118 2.885 17.174 129.193 1.00 56.83 C ATOM 923 O VAL A 118 4.100 17.369 129.147 1.00 55.63 O ATOM 924 CB VAL A 118 2.732 15.320 130.846 1.00 55.25 C ATOM 925 CG1 VAL A 118 2.197 16.284 131.890 1.00 52.17 C ATOM 926 CG2 VAL A 118 2.225 13.912 131.107 1.00 48.86 C ATOM 927 N ASP A 119 1.988 18.141 129.040 1.00 54.75 N ATOM 928 CA ASP A 119 2.384 19.535 128.912 1.00 63.69 C ATOM 929 C ASP A 119 2.322 20.192 130.286 1.00 65.06 C ATOM 930 O ASP A 119 1.269 20.677 130.704 1.00 57.60 O ATOM 931 CB ASP A 119 1.462 20.266 127.937 1.00 63.85 C ATOM 932 CG ASP A 119 2.057 21.568 127.432 1.00 69.34 C ATOM 933 OD1 ASP A 119 2.932 22.139 128.117 1.00 67.08 O ATOM 934 OD2 ASP A 119 1.645 22.024 126.346 1.00 71.26 O ATOM 935 N LEU A 120 3.453 20.204 130.983 1.00 64.95 N ATOM 936 CA LEU A 120 3.509 20.718 132.347 1.00 61.98 C ATOM 937 C LEU A 120 3.731 22.224 132.391 1.00 61.78 C ATOM 938 O LEU A 120 4.674 22.743 131.792 1.00 65.70 O ATOM 939 CB LEU A 120 4.611 20.013 133.138 1.00 71.47 C ATOM 940 CG LEU A 120 4.843 20.526 134.561 1.00 67.45 C ATOM 941 CD1 LEU A 120 3.627 20.258 135.435 1.00 49.56 C ATOM 942 CD2 LEU A 120 6.090 19.897 135.159 1.00 61.16 C ATOM 943 N ASN A 121 2.853 22.919 133.107 1.00 61.36 N ATOM 944 CA ASN A 121 2.986 24.356 133.309 1.00 65.75 C ATOM 945 C ASN A 121 2.682 24.739 134.752 1.00 70.43 C ATOM 946 O ASN A 121 1.607 24.436 135.270 1.00 68.75 O ATOM 947 CB ASN A 121 2.067 25.126 132.360 1.00 75.44 C ATOM 948 CG ASN A 121 2.277 24.746 130.910 1.00 68.94 C ATOM 949 OD1 ASN A 121 1.493 23.992 130.335 1.00 62.24 O ATOM 950 ND2 ASN A 121 3.345 25.259 130.312 1.00 63.21 N ATOM 951 N ILE A 122 3.632 25.405 135.396 1.00 71.58 N ATOM 952 CA ILE A 122 3.477 25.792 136.793 1.00 66.52 C ATOM 953 C ILE A 122 3.106 27.265 136.939 1.00 71.44 C ATOM 954 O ILE A 122 3.797 28.144 136.423 1.00 71.09 O ATOM 955 CB ILE A 122 4.754 25.510 137.595 1.00 64.42 C ATOM 956 CG1 ILE A 122 5.138 24.035 137.475 1.00 69.39 C ATOM 957 CG2 ILE A 122 4.560 25.894 139.051 1.00 68.12 C ATOM 958 CD1 ILE A 122 6.383 23.668 138.241 1.00 63.26 C ATOM 959 N HIS A 123 2.014 27.523 137.652 1.00 70.97 N ATOM 960 CA HIS A 123 1.528 28.882 137.852 1.00 74.64 C ATOM 961 C HIS A 123 1.914 29.449 139.208 1.00 79.10 C ATOM 962 O HIS A 123 2.154 28.703 140.157 1.00 64.13 O ATOM 963 CB HIS A 123 0.008 28.926 137.728 1.00 71.74 C ATOM 964 CG HIS A 123 -0.492 28.856 136.321 1.00 70.85 C ATOM 965 ND1 HIS A 123 -1.834 28.846 136.009 1.00 62.23 N ATOM 966 CD2 HIS A 123 0.172 28.794 135.142 1.00 71.62 C ATOM 967 CE1 HIS A 123 -1.975 28.787 134.695 1.00 76.82 C ATOM 968 NE2 HIS A 123 -0.774 28.750 134.148 1.00 69.85 N ATOM 969 N LYS A 124 1.947 30.779 139.268 1.00 80.15 N ATOM 970 CA LYS A 124 2.138 31.569 140.490 1.00 78.02 C ATOM 971 C LYS A 124 2.908 30.934 141.651 1.00 78.32 C ATOM 972 O LYS A 124 2.351 30.706 142.725 1.00 67.57 O ATOM 973 CB LYS A 124 0.795 32.125 140.988 1.00 74.39 C ATOM 974 CG LYS A 124 -0.327 31.102 141.074 1.00 69.98 C ATOM 975 CD LYS A 124 -1.588 31.712 141.667 1.00 75.08 C ATOM 976 CE LYS A 124 -2.120 32.849 140.812 1.00 64.55 C ATOM 977 NZ LYS A 124 -3.367 33.426 141.385 1.00 64.18 N ATOM 978 N ILE A 125 4.192 30.666 141.436 1.00 81.71 N ATOM 979 CA ILE A 125 5.067 30.304 142.540 1.00 79.27 C ATOM 980 C ILE A 125 5.331 31.589 143.319 1.00 89.27 C ATOM 981 O ILE A 125 5.026 32.680 142.832 1.00100.72 O ATOM 982 CB ILE A 125 6.391 29.690 142.052 1.00 75.53 C ATOM 983 CG1 ILE A 125 6.156 28.810 140.826 1.00 62.64 C ATOM 984 CG2 ILE A 125 7.049 28.875 143.158 1.00 94.46 C ATOM 985 CD1 ILE A 125 7.391 28.066 140.371 1.00 60.11 C ATOM 986 N ASN A 126 5.883 31.458 144.524 1.00 78.02 N ATOM 987 CA ASN A 126 6.109 32.595 145.415 1.00 88.72 C ATOM 988 C ASN A 126 4.803 33.271 145.821 1.00 90.36 C ATOM 989 O ASN A 126 4.800 34.418 146.266 1.00 97.22 O ATOM 990 CB ASN A 126 7.066 33.617 144.791 1.00 87.54 C ATOM 991 CG ASN A 126 8.268 32.967 144.143 1.00 88.46 C ATOM 992 OD1 ASN A 126 8.769 31.951 144.621 1.00 93.65 O ATOM 993 ND2 ASN A 126 8.734 33.547 143.043 1.00 73.94 N ATOM 994 N GLU A 127 3.696 32.553 145.663 1.00 77.46 N ATOM 995 CA GLU A 127 2.391 33.066 146.060 1.00 78.74 C ATOM 996 C GLU A 127 1.684 32.119 147.018 1.00 74.15 C ATOM 997 O GLU A 127 2.201 31.054 147.356 1.00 65.99 O ATOM 998 CB GLU A 127 1.504 33.321 144.840 1.00 76.30 C ATOM 999 CG GLU A 127 1.927 34.503 143.990 1.00 81.26 C ATOM 1000 CD GLU A 127 0.810 34.989 143.087 1.00 88.53 C ATOM 1001 OE1 GLU A 127 1.108 35.659 142.076 1.00 95.78 O ATOM 1002 OE2 GLU A 127 -0.367 34.704 143.395 1.00 83.64 O ATOM 1003 N GLU A 128 0.491 32.517 147.442 1.00 77.75 N ATOM 1004 CA GLU A 128 -0.295 31.738 148.386 1.00 81.28 C ATOM 1005 C GLU A 128 -0.795 30.439 147.760 1.00 78.82 C ATOM 1006 O GLU A 128 -0.904 29.417 148.437 1.00 81.57 O ATOM 1007 CB GLU A 128 -1.476 32.568 148.893 1.00 80.05 C ATOM 1008 CG GLU A 128 -2.296 31.896 149.977 1.00 87.84 C ATOM 1009 CD GLU A 128 -3.500 32.718 150.389 1.00101.28 C ATOM 1010 OE1 GLU A 128 -4.148 32.361 151.395 1.00102.82 O ATOM 1011 OE2 GLU A 128 -3.801 33.719 149.704 1.00 94.69 O ATOM 1012 N ASN A 129 -1.083 30.478 146.463 1.00 78.46 N ATOM 1013 CA ASN A 129 -1.644 29.319 145.777 1.00 80.62 C ATOM 1014 C ASN A 129 -0.811 28.858 144.583 1.00 63.37 C ATOM 1015 O ASN A 129 -1.196 29.067 143.436 1.00 57.74 O ATOM 1016 CB ASN A 129 -3.076 29.616 145.326 1.00 77.13 C ATOM 1017 CG ASN A 129 -3.750 28.417 144.687 1.00 71.99 C ATOM 1018 OD1 ASN A 129 -3.385 27.271 144.952 1.00 78.57 O ATOM 1019 ND2 ASN A 129 -4.735 28.676 143.835 1.00 75.98 N ATOM 1020 N PRO A 130 0.342 28.230 144.848 1.00 67.56 N ATOM 1021 CA PRO A 130 1.121 27.677 143.739 1.00 62.76 C ATOM 1022 C PRO A 130 0.449 26.417 143.217 1.00 65.74 C ATOM 1023 O PRO A 130 0.228 25.484 143.988 1.00 70.13 O ATOM 1024 CB PRO A 130 2.457 27.312 144.395 1.00 51.81 C ATOM 1025 CG PRO A 130 2.476 28.047 145.695 1.00 71.38 C ATOM 1026 CD PRO A 130 1.054 28.109 146.129 1.00 71.54 C ATOM 1027 N HIS A 131 0.116 26.395 141.931 1.00 67.31 N ATOM 1028 CA HIS A 131 -0.495 25.214 141.333 1.00 66.13 C ATOM 1029 C HIS A 131 0.182 24.845 140.020 1.00 68.22 C ATOM 1030 O HIS A 131 0.948 25.631 139.462 1.00 81.05 O ATOM 1031 CB HIS A 131 -2.001 25.416 141.128 1.00 68.55 C ATOM 1032 CG HIS A 131 -2.346 26.542 140.203 1.00 69.83 C ATOM 1033 ND1 HIS A 131 -2.638 27.812 140.654 1.00 64.96 N ATOM 1034 CD2 HIS A 131 -2.465 26.586 138.856 1.00 77.36 C ATOM 1035 CE1 HIS A 131 -2.913 28.591 139.622 1.00 79.06 C ATOM 1036 NE2 HIS A 131 -2.815 27.871 138.519 1.00 77.72 N ATOM 1037 N ALA A 132 -0.102 23.642 139.533 1.00 65.99 N ATOM 1038 CA ALA A 132 0.496 23.166 138.294 1.00 69.76 C ATOM 1039 C ALA A 132 -0.538 22.532 137.373 1.00 65.17 C ATOM 1040 O ALA A 132 -1.204 21.566 137.744 1.00 65.18 O ATOM 1041 CB ALA A 132 1.608 22.182 138.593 1.00 67.20 C ATOM 1042 N HIS A 133 -0.663 23.080 136.169 1.00 73.27 N ATOM 1043 CA HIS A 133 -1.573 22.535 135.172 1.00 68.66 C ATOM 1044 C HIS A 133 -0.872 21.451 134.363 1.00 55.95 C ATOM 1045 O HIS A 133 0.286 21.607 133.976 1.00 62.07 O ATOM 1046 CB HIS A 133 -2.055 23.637 134.230 1.00 58.35 C ATOM 1047 CG HIS A 133 -2.677 24.805 134.929 1.00 58.53 C ATOM 1048 ND1 HIS A 133 -4.034 25.043 134.916 1.00 48.59 N ATOM 1049 CD2 HIS A 133 -2.126 25.806 135.655 1.00 62.88 C ATOM 1050 CE1 HIS A 133 -4.293 26.140 135.606 1.00 73.85 C ATOM 1051 NE2 HIS A 133 -3.152 26.624 136.063 1.00 72.05 N ATOM 1052 N LEU A 134 -1.573 20.353 134.108 1.00 48.88 N ATOM 1053 CA LEU A 134 -1.007 19.264 133.320 1.00 61.41 C ATOM 1054 C LEU A 134 -1.925 18.852 132.170 1.00 60.81 C ATOM 1055 O LEU A 134 -2.915 18.150 132.376 1.00 52.93 O ATOM 1056 CB LEU A 134 -0.698 18.051 134.203 1.00 63.20 C ATOM 1057 CG LEU A 134 0.510 18.122 135.140 1.00 66.70 C ATOM 1058 CD1 LEU A 134 0.185 18.878 136.419 1.00 60.93 C ATOM 1059 CD2 LEU A 134 1.009 16.722 135.458 1.00 55.18 C ATOM 1060 N LEU A 135 -1.592 19.297 130.962 1.00 58.86 N ATOM 1061 CA LEU A 135 -2.326 18.894 129.767 1.00 64.38 C ATOM 1062 C LEU A 135 -1.812 17.558 129.248 1.00 61.67 C ATOM 1063 O LEU A 135 -0.655 17.441 128.842 1.00 53.08 O ATOM 1064 CB LEU A 135 -2.211 19.955 128.673 1.00 68.02 C ATOM 1065 CG LEU A 135 -3.365 20.947 128.550 1.00 61.07 C ATOM 1066 CD1 LEU A 135 -3.118 21.904 127.398 1.00 50.52 C ATOM 1067 CD2 LEU A 135 -4.676 20.207 128.356 1.00 60.89 C ATOM 1068 N CYS A 136 -2.683 16.555 129.256 1.00 66.52 N ATOM 1069 CA CYS A 136 -2.300 15.205 128.868 1.00 69.93 C ATOM 1070 C CYS A 136 -3.087 14.725 127.654 1.00 64.64 C ATOM 1071 O CYS A 136 -4.274 15.022 127.514 1.00 64.59 O ATOM 1072 CB CYS A 136 -2.519 14.246 130.037 1.00 67.05 C ATOM 1073 SG CYS A 136 -1.718 14.756 131.573 1.00 73.93 S ATOM 1074 N THR A 137 -2.418 13.979 126.780 1.00 67.99 N ATOM 1075 CA THR A 137 -3.064 13.421 125.598 1.00 63.07 C ATOM 1076 C THR A 137 -4.036 12.312 125.987 1.00 62.58 C ATOM 1077 O THR A 137 -3.874 11.666 127.021 1.00 72.16 O ATOM 1078 CB THR A 137 -2.034 12.866 124.599 1.00 55.41 C ATOM 1079 OG1 THR A 137 -1.229 11.869 125.241 1.00 66.50 O ATOM 1080 CG2 THR A 137 -1.138 13.983 124.088 1.00 51.51 C ATOM 1081 N LEU A 138 -5.048 12.097 125.153 1.00 59.42 N ATOM 1082 CA LEU A 138 -6.054 11.077 125.420 1.00 62.69 C ATOM 1083 C LEU A 138 -5.772 9.803 124.629 1.00 59.83 C ATOM 1084 O LEU A 138 -6.508 8.821 124.730 1.00 56.58 O ATOM 1085 CB LEU A 138 -7.450 11.601 125.084 1.00 63.10 C ATOM 1086 CG LEU A 138 -7.941 12.837 125.839 1.00 53.61 C ATOM 1087 CD1 LEU A 138 -9.307 13.254 125.332 1.00 65.06 C ATOM 1088 CD2 LEU A 138 -7.994 12.563 127.326 1.00 62.19 C ATOM 1089 N ARG A 139 -4.702 9.827 123.842 1.00 53.39 N ATOM 1090 CA ARG A 139 -4.314 8.675 123.039 1.00 63.88 C ATOM 1091 C ARG A 139 -2.835 8.360 123.231 1.00 73.79 C ATOM 1092 O ARG A 139 -2.058 9.216 123.655 1.00 58.25 O ATOM 1093 CB ARG A 139 -4.600 8.933 121.558 1.00 63.03 C ATOM 1094 CG ARG A 139 -6.053 9.259 121.241 1.00 61.21 C ATOM 1095 CD ARG A 139 -6.195 9.795 119.825 1.00 63.42 C ATOM 1096 NE ARG A 139 -7.560 10.218 119.523 1.00 66.78 N ATOM 1097 CZ ARG A 139 -8.407 9.529 118.764 1.00 67.39 C ATOM 1098 NH1 ARG A 139 -8.029 8.380 118.220 1.00 69.01 N ATOM 1099 NH2 ARG A 139 -9.629 9.991 118.541 1.00 62.30 N ATOM 1100 N GLY A 140 -2.452 7.127 122.916 1.00 74.14 N ATOM 1101 CA GLY A 140 -1.063 6.715 122.997 1.00 63.60 C ATOM 1102 C GLY A 140 -0.405 6.716 121.632 1.00 69.29 C ATOM 1103 O GLY A 140 -1.065 6.935 120.616 1.00 76.97 O ATOM 1104 N LEU A 141 0.900 6.470 121.606 1.00 72.34 N ATOM 1105 CA LEU A 141 1.648 6.443 120.354 1.00 80.98 C ATOM 1106 C LEU A 141 1.952 5.013 119.923 1.00 82.93 C ATOM 1107 O LEU A 141 2.154 4.133 120.761 1.00 71.58 O ATOM 1108 CB LEU A 141 2.948 7.239 120.485 1.00 75.19 C ATOM 1109 CG LEU A 141 2.944 8.691 120.006 1.00 71.60 C ATOM 1110 CD1 LEU A 141 1.811 9.476 120.644 1.00 76.13 C ATOM 1111 CD2 LEU A 141 4.283 9.342 120.311 1.00 72.59 C ATOM 1112 N ASP A 142 1.981 4.787 118.614 1.00 76.65 N ATOM 1113 CA ASP A 142 2.278 3.463 118.080 1.00 73.06 C ATOM 1114 C ASP A 142 3.708 3.360 117.553 1.00 65.96 C ATOM 1115 O ASP A 142 4.550 4.213 117.840 1.00 65.59 O ATOM 1116 CB ASP A 142 1.274 3.070 116.989 1.00 82.72 C ATOM 1117 CG ASP A 142 1.150 4.116 115.894 1.00 84.99 C ATOM 1118 OD1 ASP A 142 2.075 4.938 115.730 1.00 85.94 O ATOM 1119 OD2 ASP A 142 0.120 4.109 115.186 1.00 69.74 O ATOM 1120 N LYS A 143 3.969 2.313 116.777 1.00 73.68 N ATOM 1121 CA LYS A 143 5.300 2.062 116.237 1.00 79.60 C ATOM 1122 C LYS A 143 5.699 3.107 115.200 1.00 83.41 C ATOM 1123 O LYS A 143 6.883 3.293 114.918 1.00 86.22 O ATOM 1124 CB LYS A 143 5.365 0.663 115.618 1.00 60.40 C ATOM 1125 N ASN A 144 4.705 3.790 114.639 1.00 82.19 N ATOM 1126 CA ASN A 144 4.946 4.782 113.600 1.00 84.62 C ATOM 1127 C ASN A 144 4.820 6.209 114.120 1.00 79.97 C ATOM 1128 O ASN A 144 4.711 7.153 113.335 1.00 85.84 O ATOM 1129 CB ASN A 144 3.975 4.572 112.437 1.00 83.75 C ATOM 1130 CG ASN A 144 3.949 3.140 111.952 1.00 85.21 C ATOM 1131 OD1 ASN A 144 4.967 2.449 111.969 1.00 87.54 O ATOM 1132 ND2 ASN A 144 2.780 2.684 111.518 1.00 82.00 N ATOM 1133 N ASN A 145 4.839 6.356 115.442 1.00 76.49 N ATOM 1134 CA ASN A 145 4.647 7.652 116.087 1.00 81.73 C ATOM 1135 C ASN A 145 3.345 8.329 115.669 1.00 81.56 C ATOM 1136 O ASN A 145 3.310 9.532 115.407 1.00 84.63 O ATOM 1137 CB ASN A 145 5.844 8.575 115.844 1.00 83.16 C ATOM 1138 CG ASN A 145 7.071 8.151 116.625 1.00 87.11 C ATOM 1139 OD1 ASN A 145 7.230 8.505 117.794 1.00 75.66 O ATOM 1140 ND2 ASN A 145 7.948 7.388 115.982 1.00 81.39 N ATOM 1141 N GLU A 146 2.279 7.538 115.605 1.00 77.11 N ATOM 1142 CA GLU A 146 0.948 8.045 115.300 1.00 74.94 C ATOM 1143 C GLU A 146 0.019 7.723 116.465 1.00 73.54 C ATOM 1144 O GLU A 146 0.243 6.758 117.196 1.00 72.34 O ATOM 1145 CB GLU A 146 0.419 7.417 114.010 1.00 79.10 C ATOM 1146 CG GLU A 146 1.279 7.688 112.781 1.00 90.87 C ATOM 1147 CD GLU A 146 1.023 9.053 112.171 1.00 95.40 C ATOM 1148 OE1 GLU A 146 -0.130 9.530 112.240 1.00 97.34 O ATOM 1149 OE2 GLU A 146 1.972 9.649 111.619 1.00 93.92 O ATOM 1150 N PHE A 147 -1.021 8.528 116.640 1.00 64.33 N ATOM 1151 CA PHE A 147 -1.942 8.330 117.755 1.00 63.58 C ATOM 1152 C PHE A 147 -2.865 7.132 117.556 1.00 67.15 C ATOM 1153 O PHE A 147 -3.567 7.034 116.550 1.00 78.20 O ATOM 1154 CB PHE A 147 -2.765 9.594 118.010 1.00 61.89 C ATOM 1155 CG PHE A 147 -1.990 10.696 118.672 1.00 70.59 C ATOM 1156 CD1 PHE A 147 -1.852 10.733 120.049 1.00 74.89 C ATOM 1157 CD2 PHE A 147 -1.396 11.692 117.918 1.00 62.45 C ATOM 1158 CE1 PHE A 147 -1.137 11.745 120.661 1.00 60.87 C ATOM 1159 CE2 PHE A 147 -0.680 12.707 118.524 1.00 61.99 C ATOM 1160 CZ PHE A 147 -0.551 12.732 119.897 1.00 72.27 C ATOM 1161 N GLU A 148 -2.856 6.226 118.528 1.00 68.90 N ATOM 1162 CA GLU A 148 -3.730 5.061 118.517 1.00 69.81 C ATOM 1163 C GLU A 148 -5.164 5.498 118.801 1.00 66.51 C ATOM 1164 O GLU A 148 -5.381 6.574 119.355 1.00 73.30 O ATOM 1165 CB GLU A 148 -3.266 4.054 119.571 1.00 69.71 C ATOM 1166 CG GLU A 148 -3.350 4.568 120.998 1.00 81.55 C ATOM 1167 CD GLU A 148 -2.736 3.609 121.999 1.00 76.35 C ATOM 1168 OE1 GLU A 148 -2.125 2.605 121.573 1.00 76.65 O ATOM 1169 OE2 GLU A 148 -2.862 3.862 123.214 1.00 74.25 O ATOM 1170 N PRO A 149 -6.151 4.673 118.416 1.00 66.22 N ATOM 1171 CA PRO A 149 -7.544 5.046 118.685 1.00 62.63 C ATOM 1172 C PRO A 149 -7.867 5.015 120.173 1.00 74.50 C ATOM 1173 O PRO A 149 -7.208 4.311 120.941 1.00 63.64 O ATOM 1174 CB PRO A 149 -8.344 3.965 117.953 1.00 52.48 C ATOM 1175 CG PRO A 149 -7.411 2.806 117.857 1.00 62.27 C ATOM 1176 CD PRO A 149 -6.057 3.410 117.664 1.00 60.24 C ATOM 1177 N LYS A 150 -8.874 5.784 120.570 1.00 71.83 N ATOM 1178 CA LYS A 150 -9.338 5.780 121.947 1.00 65.22 C ATOM 1179 C LYS A 150 -10.208 4.562 122.193 1.00 74.08 C ATOM 1180 O LYS A 150 -10.201 3.990 123.283 1.00 78.90 O ATOM 1181 CB LYS A 150 -10.175 7.024 122.231 1.00 59.09 C ATOM 1182 CG LYS A 150 -9.429 8.335 122.176 1.00 53.86 C ATOM 1183 CD LYS A 150 -10.414 9.486 122.277 1.00 65.52 C ATOM 1184 CE LYS A 150 -9.701 10.808 122.439 1.00 67.88 C ATOM 1185 NZ LYS A 150 -10.641 11.959 122.339 1.00 76.93 N ATOM 1186 N ARG A 151 -10.960 4.169 121.171 1.00 75.94 N ATOM 1187 CA ARG A 151 -12.043 3.217 121.363 1.00 75.75 C ATOM 1188 C ARG A 151 -12.030 2.031 120.405 1.00 78.68 C ATOM 1189 O ARG A 151 -11.511 2.111 119.292 1.00 76.84 O ATOM 1190 CB ARG A 151 -13.386 3.937 121.250 1.00 62.59 C ATOM 1191 CG ARG A 151 -14.377 3.523 122.307 1.00 85.28 C ATOM 1192 CD ARG A 151 -14.092 4.223 123.622 1.00 67.86 C ATOM 1193 NE ARG A 151 -15.009 5.339 123.818 1.00 64.72 N ATOM 1194 CZ ARG A 151 -16.225 5.210 124.335 1.00 65.07 C ATOM 1195 NH1 ARG A 151 -16.665 4.017 124.712 1.00 65.87 N ATOM 1196 NH2 ARG A 151 -17.002 6.272 124.474 1.00 71.02 N ATOM 1197 N LYS A 152 -12.613 0.929 120.865 1.00 76.22 N ATOM 1198 CA LYS A 152 -12.871 -0.235 120.031 1.00 75.61 C ATOM 1199 C LYS A 152 -14.266 -0.746 120.371 1.00 80.62 C ATOM 1200 O LYS A 152 -14.430 -1.589 121.253 1.00 84.16 O ATOM 1201 CB LYS A 152 -11.833 -1.327 120.282 1.00 68.63 C ATOM 1202 N GLY A 153 -15.268 -0.220 119.674 1.00 78.92 N ATOM 1203 CA GLY A 153 -16.654 -0.516 119.988 1.00 72.59 C ATOM 1204 C GLY A 153 -17.130 0.362 121.129 1.00 86.80 C ATOM 1205 O GLY A 153 -17.299 1.570 120.964 1.00 87.80 O ATOM 1206 N ASN A 154 -17.343 -0.244 122.292 1.00 90.82 N ATOM 1207 CA ASN A 154 -17.695 0.506 123.491 1.00 86.00 C ATOM 1208 C ASN A 154 -16.580 0.454 124.528 1.00 81.63 C ATOM 1209 O ASN A 154 -16.599 1.189 125.515 1.00 80.01 O ATOM 1210 CB ASN A 154 -19.003 -0.012 124.092 1.00 79.31 C ATOM 1211 CG ASN A 154 -20.220 0.431 123.307 1.00 92.80 C ATOM 1212 OD1 ASN A 154 -20.237 1.518 122.729 1.00 96.87 O ATOM 1213 ND2 ASN A 154 -21.249 -0.409 123.284 1.00 97.96 N ATOM 1214 N ASP A 155 -15.606 -0.420 124.292 1.00 81.56 N ATOM 1215 CA ASP A 155 -14.484 -0.589 125.206 1.00 76.39 C ATOM 1216 C ASP A 155 -13.385 0.427 124.922 1.00 72.40 C ATOM 1217 O ASP A 155 -13.337 1.015 123.844 1.00 71.34 O ATOM 1218 CB ASP A 155 -13.920 -2.007 125.101 1.00 83.47 C ATOM 1219 CG ASP A 155 -14.956 -3.070 125.400 1.00 89.65 C ATOM 1220 OD1 ASP A 155 -15.839 -2.819 126.245 1.00 81.12 O ATOM 1221 OD2 ASP A 155 -14.887 -4.157 124.787 1.00 89.45 O ATOM 1222 N TYR A 156 -12.503 0.624 125.897 1.00 75.84 N ATOM 1223 CA TYR A 156 -11.397 1.564 125.753 1.00 79.05 C ATOM 1224 C TYR A 156 -10.103 0.849 125.388 1.00 80.14 C ATOM 1225 O TYR A 156 -9.983 -0.364 125.552 1.00 86.23 O ATOM 1226 CB TYR A 156 -11.194 2.354 127.046 1.00 62.70 C ATOM 1227 CG TYR A 156 -12.247 3.406 127.300 1.00 66.10 C ATOM 1228 CD1 TYR A 156 -13.523 3.053 127.719 1.00 68.92 C ATOM 1229 CD2 TYR A 156 -11.966 4.754 127.120 1.00 63.92 C ATOM 1230 CE1 TYR A 156 -14.490 4.013 127.952 1.00 68.87 C ATOM 1231 CE2 TYR A 156 -12.926 5.721 127.353 1.00 63.78 C ATOM 1232 CZ TYR A 156 -14.186 5.345 127.768 1.00 64.55 C ATOM 1233 OH TYR A 156 -15.146 6.304 127.999 1.00 65.65 O ATOM 1234 N ILE A 157 -9.134 1.615 124.898 1.00 77.64 N ATOM 1235 CA ILE A 157 -7.818 1.078 124.575 1.00 75.83 C ATOM 1236 C ILE A 157 -6.884 1.275 125.767 1.00 70.13 C ATOM 1237 O ILE A 157 -6.082 0.399 126.098 1.00 69.57 O ATOM 1238 CB ILE A 157 -7.233 1.732 123.299 1.00 68.73 C ATOM 1239 CG1 ILE A 157 -7.582 0.902 122.062 1.00 65.93 C ATOM 1240 CG2 ILE A 157 -5.722 1.876 123.396 1.00 68.61 C ATOM 1241 CD1 ILE A 157 -9.062 0.800 121.778 1.00 74.75 C ATOM 1242 N ARG A 158 -7.009 2.425 126.419 1.00 74.89 N ATOM 1243 CA ARG A 158 -6.227 2.721 127.611 1.00 74.12 C ATOM 1244 C ARG A 158 -7.138 2.799 128.830 1.00 71.48 C ATOM 1245 O ARG A 158 -8.333 3.064 128.705 1.00 74.17 O ATOM 1246 CB ARG A 158 -5.470 4.036 127.437 1.00 65.60 C ATOM 1247 CG ARG A 158 -4.468 4.027 126.296 1.00 56.43 C ATOM 1248 CD ARG A 158 -3.165 3.367 126.706 1.00 67.83 C ATOM 1249 NE ARG A 158 -2.196 3.360 125.614 1.00 71.72 N ATOM 1250 CZ ARG A 158 -0.895 3.141 125.770 1.00 76.63 C ATOM 1251 NH1 ARG A 158 -0.398 2.918 126.979 1.00 83.83 N ATOM 1252 NH2 ARG A 158 -0.088 3.152 124.718 1.00 83.41 N ATOM 1253 N ASP A 159 -6.571 2.568 130.009 1.00 80.33 N ATOM 1254 CA ASP A 159 -7.351 2.577 131.241 1.00 81.24 C ATOM 1255 C ASP A 159 -7.282 3.935 131.931 1.00 76.32 C ATOM 1256 O ASP A 159 -7.596 4.055 133.113 1.00 80.36 O ATOM 1257 CB ASP A 159 -6.854 1.488 132.193 1.00 72.64 C ATOM 1258 CG ASP A 159 -5.441 1.743 132.681 1.00 80.04 C ATOM 1259 OD1 ASP A 159 -4.645 2.340 131.925 1.00 86.74 O ATOM 1260 OD2 ASP A 159 -5.125 1.344 133.822 1.00 95.40 O ATOM 1261 N TRP A 160 -6.881 4.956 131.183 1.00 65.11 N ATOM 1262 CA TRP A 160 -6.660 6.284 131.745 1.00 59.67 C ATOM 1263 C TRP A 160 -7.937 6.956 132.250 1.00 68.00 C ATOM 1264 O TRP A 160 -7.874 7.879 133.061 1.00 74.81 O ATOM 1265 CB TRP A 160 -5.982 7.185 130.711 1.00 51.15 C ATOM 1266 CG TRP A 160 -4.634 6.701 130.285 1.00 57.95 C ATOM 1267 CD1 TRP A 160 -3.871 5.757 130.905 1.00 68.50 C ATOM 1268 CD2 TRP A 160 -3.888 7.133 129.142 1.00 68.02 C ATOM 1269 NE1 TRP A 160 -2.694 5.576 130.221 1.00 71.24 N ATOM 1270 CE2 TRP A 160 -2.681 6.409 129.134 1.00 67.10 C ATOM 1271 CE3 TRP A 160 -4.124 8.062 128.123 1.00 69.68 C ATOM 1272 CZ2 TRP A 160 -1.712 6.584 128.150 1.00 71.62 C ATOM 1273 CZ3 TRP A 160 -3.159 8.235 127.148 1.00 62.02 C ATOM 1274 CH2 TRP A 160 -1.969 7.499 127.169 1.00 65.64 C ATOM 1275 N ASN A 161 -9.090 6.496 131.777 1.00 66.90 N ATOM 1276 CA ASN A 161 -10.351 7.165 132.090 1.00 70.29 C ATOM 1277 C ASN A 161 -11.246 6.408 133.066 1.00 73.31 C ATOM 1278 O ASN A 161 -12.450 6.656 133.132 1.00 69.18 O ATOM 1279 CB ASN A 161 -11.127 7.456 130.806 1.00 65.35 C ATOM 1280 CG ASN A 161 -10.258 8.064 129.728 1.00 70.85 C ATOM 1281 OD1 ASN A 161 -10.077 9.281 129.672 1.00 69.07 O ATOM 1282 ND2 ASN A 161 -9.711 7.217 128.863 1.00 82.13 N ATOM 1283 N THR A 162 -10.660 5.491 133.826 1.00 67.50 N ATOM 1284 CA THR A 162 -11.428 4.686 134.767 1.00 60.49 C ATOM 1285 C THR A 162 -11.346 5.254 136.179 1.00 74.82 C ATOM 1286 O THR A 162 -10.413 5.987 136.508 1.00 74.82 O ATOM 1287 CB THR A 162 -10.939 3.233 134.784 1.00 74.51 C ATOM 1288 OG1 THR A 162 -9.575 3.193 135.219 1.00 79.72 O ATOM 1289 CG2 THR A 162 -11.042 2.625 133.394 1.00 65.13 C ATOM 1290 N LYS A 163 -12.328 4.910 137.008 1.00 80.29 N ATOM 1291 CA LYS A 163 -12.344 5.336 138.404 1.00 67.81 C ATOM 1292 C LYS A 163 -11.142 4.792 139.165 1.00 68.52 C ATOM 1293 O LYS A 163 -10.577 5.478 140.018 1.00 68.43 O ATOM 1294 CB LYS A 163 -13.634 4.887 139.093 1.00 63.19 C ATOM 1295 CG LYS A 163 -14.861 5.702 138.726 1.00 73.17 C ATOM 1296 CD LYS A 163 -16.053 5.300 139.581 1.00 73.59 C ATOM 1297 CE LYS A 163 -17.269 6.164 139.287 1.00 81.77 C ATOM 1298 NZ LYS A 163 -18.428 5.803 140.151 1.00 71.44 N ATOM 1299 N GLU A 164 -10.761 3.556 138.855 1.00 72.81 N ATOM 1300 CA GLU A 164 -9.626 2.917 139.511 1.00 74.76 C ATOM 1301 C GLU A 164 -8.344 3.693 139.241 1.00 78.06 C ATOM 1302 O GLU A 164 -7.526 3.889 140.139 1.00 85.11 O ATOM 1303 CB GLU A 164 -9.477 1.469 139.041 1.00 59.04 C ATOM 1304 N LYS A 165 -8.183 4.139 137.999 1.00 71.21 N ATOM 1305 CA LYS A 165 -7.027 4.936 137.607 1.00 75.56 C ATOM 1306 C LYS A 165 -7.135 6.348 138.173 1.00 72.10 C ATOM 1307 O LYS A 165 -6.131 6.960 138.540 1.00 72.61 O ATOM 1308 CB LYS A 165 -6.901 4.976 136.082 1.00 65.57 C ATOM 1309 CG LYS A 165 -5.756 5.831 135.573 1.00 64.43 C ATOM 1310 CD LYS A 165 -4.425 5.351 136.120 1.00 66.27 C ATOM 1311 CE LYS A 165 -4.078 3.968 135.597 1.00 62.44 C ATOM 1312 NZ LYS A 165 -2.738 3.520 136.067 1.00 64.28 N ATOM 1313 N HIS A 166 -8.360 6.858 138.244 1.00 72.20 N ATOM 1314 CA HIS A 166 -8.609 8.173 138.820 1.00 70.48 C ATOM 1315 C HIS A 166 -8.223 8.192 140.295 1.00 74.71 C ATOM 1316 O HIS A 166 -7.443 9.040 140.732 1.00 66.88 O ATOM 1317 CB HIS A 166 -10.080 8.553 138.656 1.00 71.47 C ATOM 1318 CG HIS A 166 -10.461 9.819 139.359 1.00 78.26 C ATOM 1319 ND1 HIS A 166 -10.003 11.058 138.963 1.00 73.03 N ATOM 1320 CD2 HIS A 166 -11.257 10.037 140.431 1.00 69.73 C ATOM 1321 CE1 HIS A 166 -10.501 11.984 139.762 1.00 66.54 C ATOM 1322 NE2 HIS A 166 -11.266 11.392 140.662 1.00 67.03 N ATOM 1323 N ASN A 167 -8.769 7.246 141.054 1.00 70.08 N ATOM 1324 CA ASN A 167 -8.486 7.146 142.479 1.00 61.30 C ATOM 1325 C ASN A 167 -7.033 6.779 142.756 1.00 70.27 C ATOM 1326 O ASN A 167 -6.486 7.125 143.803 1.00 72.58 O ATOM 1327 CB ASN A 167 -9.430 6.142 143.142 1.00 60.97 C ATOM 1328 CG ASN A 167 -10.878 6.581 143.088 1.00 59.45 C ATOM 1329 OD1 ASN A 167 -11.187 7.761 143.254 1.00 64.52 O ATOM 1330 ND2 ASN A 167 -11.777 5.631 142.851 1.00 50.66 N ATOM 1331 N GLU A 168 -6.413 6.075 141.813 1.00 59.33 N ATOM 1332 CA GLU A 168 -4.999 5.736 141.917 1.00 56.19 C ATOM 1333 C GLU A 168 -4.140 6.989 141.813 1.00 63.29 C ATOM 1334 O GLU A 168 -3.187 7.167 142.571 1.00 71.11 O ATOM 1335 CB GLU A 168 -4.600 4.748 140.821 1.00 63.25 C ATOM 1336 CG GLU A 168 -3.106 4.503 140.716 1.00 68.48 C ATOM 1337 CD GLU A 168 -2.753 3.545 139.596 1.00 75.15 C ATOM 1338 OE1 GLU A 168 -3.666 2.855 139.095 1.00 77.22 O ATOM 1339 OE2 GLU A 168 -1.565 3.485 139.215 1.00 66.13 O ATOM 1340 N TRP A 169 -4.487 7.854 140.866 1.00 65.85 N ATOM 1341 CA TRP A 169 -3.741 9.086 140.641 1.00 67.48 C ATOM 1342 C TRP A 169 -3.849 10.031 141.832 1.00 68.32 C ATOM 1343 O TRP A 169 -2.897 10.739 142.161 1.00 63.34 O ATOM 1344 CB TRP A 169 -4.230 9.780 139.369 1.00 68.82 C ATOM 1345 CG TRP A 169 -3.666 9.191 138.113 1.00 69.34 C ATOM 1346 CD1 TRP A 169 -2.560 8.400 138.004 1.00 72.86 C ATOM 1347 CD2 TRP A 169 -4.181 9.348 136.786 1.00 73.99 C ATOM 1348 NE1 TRP A 169 -2.353 8.057 136.691 1.00 72.07 N ATOM 1349 CE2 TRP A 169 -3.333 8.625 135.924 1.00 74.24 C ATOM 1350 CE3 TRP A 169 -5.274 10.029 136.245 1.00 74.38 C ATOM 1351 CZ2 TRP A 169 -3.547 8.564 134.550 1.00 67.75 C ATOM 1352 CZ3 TRP A 169 -5.483 9.966 134.882 1.00 62.85 C ATOM 1353 CH2 TRP A 169 -4.624 9.239 134.050 1.00 63.44 C ATOM 1354 N ARG A 170 -5.015 10.040 142.470 1.00 68.84 N ATOM 1355 CA ARG A 170 -5.231 10.863 143.653 1.00 63.11 C ATOM 1356 C ARG A 170 -4.321 10.421 144.792 1.00 68.53 C ATOM 1357 O ARG A 170 -3.703 11.248 145.462 1.00 65.36 O ATOM 1358 CB ARG A 170 -6.691 10.791 144.101 1.00 61.54 C ATOM 1359 CG ARG A 170 -7.676 11.414 143.129 1.00 64.41 C ATOM 1360 CD ARG A 170 -9.067 11.448 143.732 1.00 66.37 C ATOM 1361 NE ARG A 170 -9.048 12.035 145.067 1.00 80.22 N ATOM 1362 CZ ARG A 170 -9.195 13.333 145.314 1.00 86.53 C ATOM 1363 NH1 ARG A 170 -9.380 14.186 144.315 1.00 68.94 N ATOM 1364 NH2 ARG A 170 -9.159 13.777 146.562 1.00 86.95 N ATOM 1365 N LYS A 171 -4.243 9.111 145.005 1.00 65.65 N ATOM 1366 CA LYS A 171 -3.408 8.559 146.065 1.00 69.14 C ATOM 1367 C LYS A 171 -1.929 8.695 145.722 1.00 72.46 C ATOM 1368 O LYS A 171 -1.088 8.833 146.610 1.00 69.37 O ATOM 1369 CB LYS A 171 -3.756 7.091 146.315 1.00 68.38 C ATOM 1370 N ARG A 172 -1.619 8.657 144.430 1.00 64.68 N ATOM 1371 CA ARG A 172 -0.242 8.799 143.977 1.00 71.11 C ATOM 1372 C ARG A 172 0.275 10.205 144.246 1.00 64.19 C ATOM 1373 O ARG A 172 1.418 10.384 144.665 1.00 59.39 O ATOM 1374 CB ARG A 172 -0.129 8.486 142.486 1.00 60.88 C ATOM 1375 CG ARG A 172 1.289 8.578 141.949 1.00 65.16 C ATOM 1376 CD ARG A 172 1.321 8.447 140.439 1.00 77.92 C ATOM 1377 NE ARG A 172 0.749 7.183 139.987 1.00 75.20 N ATOM 1378 CZ ARG A 172 0.671 6.815 138.713 1.00 64.98 C ATOM 1379 NH1 ARG A 172 1.131 7.616 137.761 1.00 80.15 N ATOM 1380 NH2 ARG A 172 0.135 5.646 138.389 1.00 62.12 N ATOM 1381 N TRP A 173 -0.572 11.200 144.003 1.00 62.57 N ATOM 1382 CA TRP A 173 -0.199 12.591 144.231 1.00 61.10 C ATOM 1383 C TRP A 173 -0.005 12.872 145.715 1.00 65.19 C ATOM 1384 O TRP A 173 0.814 13.706 146.097 1.00 62.93 O ATOM 1385 CB TRP A 173 -1.240 13.542 143.633 1.00 64.13 C ATOM 1386 CG TRP A 173 -1.008 14.977 143.990 1.00 64.80 C ATOM 1387 CD1 TRP A 173 -1.883 15.813 144.619 1.00 67.67 C ATOM 1388 CD2 TRP A 173 0.181 15.743 143.758 1.00 53.92 C ATOM 1389 NE1 TRP A 173 -1.319 17.053 144.784 1.00 63.11 N ATOM 1390 CE2 TRP A 173 -0.050 17.036 144.265 1.00 57.25 C ATOM 1391 CE3 TRP A 173 1.418 15.463 143.167 1.00 45.67 C ATOM 1392 CZ2 TRP A 173 0.905 18.046 144.201 1.00 49.37 C ATOM 1393 CZ3 TRP A 173 2.365 16.467 143.104 1.00 55.23 C ATOM 1394 CH2 TRP A 173 2.104 17.742 143.619 1.00 50.87 C ATOM 1395 N GLU A 174 -0.762 12.166 146.548 1.00 70.74 N ATOM 1396 CA GLU A 174 -0.604 12.270 147.990 1.00 63.56 C ATOM 1397 C GLU A 174 0.757 11.730 148.406 1.00 63.83 C ATOM 1398 O GLU A 174 1.484 12.369 149.164 1.00 66.20 O ATOM 1399 CB GLU A 174 -1.706 11.491 148.706 1.00 63.76 C ATOM 1400 CG GLU A 174 -1.454 11.312 150.191 1.00 66.25 C ATOM 1401 CD GLU A 174 -2.421 10.342 150.836 1.00 66.33 C ATOM 1402 OE1 GLU A 174 -3.642 10.493 150.630 1.00 68.63 O ATOM 1403 OE2 GLU A 174 -1.957 9.425 151.545 1.00 68.97 O ATOM 1404 N ASN A 175 1.093 10.547 147.900 1.00 63.65 N ATOM 1405 CA ASN A 175 2.342 9.884 148.251 1.00 63.73 C ATOM 1406 C ASN A 175 3.574 10.632 147.756 1.00 59.72 C ATOM 1407 O ASN A 175 4.554 10.779 148.485 1.00 81.92 O ATOM 1408 CB ASN A 175 2.346 8.452 147.717 1.00 68.62 C ATOM 1409 CG ASN A 175 1.295 7.582 148.376 1.00 78.96 C ATOM 1410 OD1 ASN A 175 0.515 8.051 149.206 1.00 80.69 O ATOM 1411 ND2 ASN A 175 1.265 6.308 148.004 1.00 70.84 N ATOM 1412 N VAL A 176 3.522 11.101 146.514 1.00 63.64 N ATOM 1413 CA VAL A 176 4.636 11.838 145.929 1.00 72.14 C ATOM 1414 C VAL A 176 4.866 13.158 146.661 1.00 66.16 C ATOM 1415 O VAL A 176 6.004 13.521 146.959 1.00 69.11 O ATOM 1416 CB VAL A 176 4.417 12.104 144.425 1.00 59.77 C ATOM 1417 CG1 VAL A 176 5.492 13.032 143.881 1.00 46.70 C ATOM 1418 CG2 VAL A 176 4.409 10.794 143.655 1.00 40.02 C ATOM 1419 N GLN A 177 3.782 13.865 146.959 1.00 61.87 N ATOM 1420 CA GLN A 177 3.876 15.145 147.648 1.00 67.51 C ATOM 1421 C GLN A 177 4.400 14.978 149.071 1.00 70.68 C ATOM 1422 O GLN A 177 5.274 15.728 149.506 1.00 67.08 O ATOM 1423 CB GLN A 177 2.519 15.847 147.669 1.00 65.14 C ATOM 1424 CG GLN A 177 2.550 17.217 148.313 1.00 71.28 C ATOM 1425 CD GLN A 177 1.222 17.933 148.215 1.00 64.66 C ATOM 1426 OE1 GLN A 177 0.249 17.392 147.690 1.00 64.07 O ATOM 1427 NE2 GLN A 177 1.174 19.158 148.720 1.00 60.52 N ATOM 1428 N ASN A 178 3.861 13.995 149.788 1.00 71.92 N ATOM 1429 CA ASN A 178 4.308 13.704 151.146 1.00 58.33 C ATOM 1430 C ASN A 178 5.779 13.310 151.194 1.00 65.48 C ATOM 1431 O ASN A 178 6.481 13.613 152.158 1.00 73.99 O ATOM 1432 CB ASN A 178 3.450 12.605 151.777 1.00 51.82 C ATOM 1433 CG ASN A 178 2.068 13.091 152.162 1.00 63.85 C ATOM 1434 OD1 ASN A 178 1.871 14.268 152.464 1.00 64.82 O ATOM 1435 ND2 ASN A 178 1.100 12.182 152.158 1.00 57.09 N ATOM 1436 N LYS A 179 6.236 12.635 150.145 1.00 60.29 N ATOM 1437 CA LYS A 179 7.629 12.222 150.045 1.00 60.20 C ATOM 1438 C LYS A 179 8.548 13.434 149.958 1.00 66.96 C ATOM 1439 O LYS A 179 9.569 13.500 150.641 1.00 72.63 O ATOM 1440 CB LYS A 179 7.829 11.325 148.824 1.00 67.37 C ATOM 1441 CG LYS A 179 9.273 10.934 148.568 1.00 73.94 C ATOM 1442 CD LYS A 179 9.393 10.101 147.303 1.00 88.32 C ATOM 1443 CE LYS A 179 10.841 9.766 146.995 1.00 90.23 C ATOM 1444 NZ LYS A 179 10.959 8.950 145.756 1.00 87.51 N ATOM 1445 N HIS A 180 8.177 14.393 149.116 1.00 75.09 N ATOM 1446 CA HIS A 180 8.963 15.612 148.958 1.00 77.38 C ATOM 1447 C HIS A 180 8.859 16.510 150.183 1.00 68.03 C ATOM 1448 O HIS A 180 9.786 17.258 150.492 1.00 72.74 O ATOM 1449 CB HIS A 180 8.533 16.372 147.703 1.00 71.69 C ATOM 1450 CG HIS A 180 9.137 15.840 146.443 1.00 68.41 C ATOM 1451 ND1 HIS A 180 10.186 16.463 145.800 1.00 68.96 N ATOM 1452 CD2 HIS A 180 8.849 14.739 145.709 1.00 71.18 C ATOM 1453 CE1 HIS A 180 10.514 15.772 144.725 1.00 82.48 C ATOM 1454 NE2 HIS A 180 9.718 14.721 144.645 1.00 65.92 N ATOM 1455 N LEU A 181 7.728 16.434 150.876 1.00 69.77 N ATOM 1456 CA LEU A 181 7.538 17.196 152.104 1.00 73.60 C ATOM 1457 C LEU A 181 8.474 16.692 153.196 1.00 75.36 C ATOM 1458 O LEU A 181 8.976 17.471 154.005 1.00 73.58 O ATOM 1459 CB LEU A 181 6.084 17.122 152.571 1.00 62.14 C ATOM 1460 CG LEU A 181 5.079 18.006 151.834 1.00 56.23 C ATOM 1461 CD1 LEU A 181 3.671 17.743 152.340 1.00 56.30 C ATOM 1462 CD2 LEU A 181 5.442 19.470 152.005 1.00 51.47 C ATOM 1463 N GLU A 182 8.709 15.385 153.209 1.00 67.32 N ATOM 1464 CA GLU A 182 9.612 14.782 154.179 1.00 67.74 C ATOM 1465 C GLU A 182 11.066 15.032 153.798 1.00 73.05 C ATOM 1466 O GLU A 182 11.910 15.283 154.659 1.00 83.28 O ATOM 1467 CB GLU A 182 9.351 13.280 154.286 1.00 65.81 C ATOM 1468 CG GLU A 182 10.370 12.533 155.124 1.00 79.12 C ATOM 1469 CD GLU A 182 10.025 11.069 155.280 1.00 92.28 C ATOM 1470 OE1 GLU A 182 8.836 10.719 155.123 1.00 94.74 O ATOM 1471 OE2 GLU A 182 10.943 10.269 155.557 1.00 97.27 O ATOM 1472 N LYS A 183 11.348 14.970 152.500 1.00 69.41 N ATOM 1473 CA LYS A 183 12.709 15.114 151.998 1.00 67.97 C ATOM 1474 C LYS A 183 13.281 16.502 152.271 1.00 67.89 C ATOM 1475 O LYS A 183 14.463 16.641 152.585 1.00 71.75 O ATOM 1476 CB LYS A 183 12.759 14.811 150.498 1.00 72.01 C ATOM 1477 N ASN A 184 12.440 17.525 152.156 1.00 70.55 N ATOM 1478 CA ASN A 184 12.884 18.898 152.371 1.00 85.12 C ATOM 1479 C ASN A 184 12.851 19.316 153.841 1.00 84.35 C ATOM 1480 O ASN A 184 13.251 20.427 154.188 1.00 72.01 O ATOM 1481 CB ASN A 184 12.076 19.873 151.510 1.00 77.63 C ATOM 1482 CG ASN A 184 12.286 19.649 150.024 1.00 70.87 C ATOM 1483 OD1 ASN A 184 13.261 20.127 149.444 1.00 82.06 O ATOM 1484 ND2 ASN A 184 11.369 18.920 149.401 1.00 64.37 N ATOM 1485 N GLY A 185 12.373 18.422 154.700 1.00 76.57 N ATOM 1486 CA GLY A 185 12.407 18.653 156.132 1.00 75.36 C ATOM 1487 C GLY A 185 11.199 19.381 156.689 1.00 80.39 C ATOM 1488 O GLY A 185 11.336 20.403 157.361 1.00 85.36 O ATOM 1489 N PHE A 186 10.013 18.850 156.414 1.00 72.91 N ATOM 1490 CA PHE A 186 8.780 19.413 156.951 1.00 63.11 C ATOM 1491 C PHE A 186 7.997 18.356 157.711 1.00 60.21 C ATOM 1492 O PHE A 186 7.922 17.203 157.288 1.00 65.18 O ATOM 1493 CB PHE A 186 7.916 19.995 155.832 1.00 76.72 C ATOM 1494 CG PHE A 186 8.526 21.185 155.153 1.00 76.72 C ATOM 1495 CD1 PHE A 186 8.400 22.448 155.703 1.00 73.45 C ATOM 1496 CD2 PHE A 186 9.223 21.042 153.967 1.00 73.68 C ATOM 1497 CE1 PHE A 186 8.960 23.548 155.084 1.00 69.05 C ATOM 1498 CE2 PHE A 186 9.786 22.139 153.343 1.00 72.12 C ATOM 1499 CZ PHE A 186 9.653 23.393 153.903 1.00 67.97 C ATOM 1500 N SER A 187 7.410 18.756 158.833 1.00 68.24 N ATOM 1501 CA SER A 187 6.622 17.843 159.649 1.00 70.49 C ATOM 1502 C SER A 187 5.195 17.757 159.124 1.00 67.06 C ATOM 1503 O SER A 187 4.380 16.988 159.633 1.00 69.91 O ATOM 1504 CB SER A 187 6.617 18.303 161.106 1.00 70.11 C ATOM 1505 OG SER A 187 6.004 19.573 161.237 1.00 69.89 O ATOM 1506 N VAL A 188 4.904 18.548 158.097 1.00 74.81 N ATOM 1507 CA VAL A 188 3.565 18.620 157.529 1.00 71.80 C ATOM 1508 C VAL A 188 3.375 17.592 156.418 1.00 68.92 C ATOM 1509 O VAL A 188 4.216 17.465 155.530 1.00 58.76 O ATOM 1510 CB VAL A 188 3.291 20.014 156.952 1.00 62.71 C ATOM 1511 CG1 VAL A 188 1.803 20.205 156.723 1.00 62.50 C ATOM 1512 CG2 VAL A 188 3.831 21.083 157.885 1.00 79.52 C ATOM 1513 N ARG A 189 2.266 16.861 156.473 1.00 66.25 N ATOM 1514 CA ARG A 189 1.924 15.908 155.424 1.00 62.83 C ATOM 1515 C ARG A 189 0.540 16.219 154.868 1.00 70.60 C ATOM 1516 O ARG A 189 -0.121 17.153 155.324 1.00 64.81 O ATOM 1517 CB ARG A 189 1.983 14.474 155.951 1.00 66.92 C ATOM 1518 CG ARG A 189 3.332 14.089 156.538 1.00 69.16 C ATOM 1519 CD ARG A 189 4.444 14.231 155.511 1.00 57.86 C ATOM 1520 NE ARG A 189 5.690 14.690 156.118 1.00 67.33 N ATOM 1521 CZ ARG A 189 6.648 13.884 156.564 1.00 71.10 C ATOM 1522 NH1 ARG A 189 6.509 12.568 156.473 1.00 70.76 N ATOM 1523 NH2 ARG A 189 7.749 14.394 157.101 1.00 60.48 N ATOM 1524 N VAL A 190 0.097 15.440 153.885 1.00 70.63 N ATOM 1525 CA VAL A 190 -1.175 15.724 153.227 1.00 69.57 C ATOM 1526 C VAL A 190 -1.986 14.460 152.921 1.00 64.55 C ATOM 1527 O VAL A 190 -1.426 13.374 152.758 1.00 64.17 O ATOM 1528 CB VAL A 190 -0.964 16.566 151.949 1.00 60.74 C ATOM 1529 CG1 VAL A 190 -0.917 15.681 150.713 1.00 69.77 C ATOM 1530 CG2 VAL A 190 -2.055 17.610 151.822 1.00 65.00 C ATOM 1531 N SER A 191 -3.307 14.611 152.857 1.00 56.94 N ATOM 1532 CA SER A 191 -4.206 13.482 152.638 1.00 66.50 C ATOM 1533 C SER A 191 -5.207 13.772 151.525 1.00 71.58 C ATOM 1534 O SER A 191 -5.547 14.926 151.270 1.00 73.72 O ATOM 1535 CB SER A 191 -4.951 13.128 153.927 1.00 75.05 C ATOM 1536 OG SER A 191 -5.869 12.069 153.713 1.00 70.19 O ATOM 1537 N ALA A 192 -5.685 12.715 150.876 1.00 71.40 N ATOM 1538 CA ALA A 192 -6.561 12.854 149.718 1.00 66.29 C ATOM 1539 C ALA A 192 -8.042 12.703 150.061 1.00 73.52 C ATOM 1540 O ALA A 192 -8.885 13.419 149.522 1.00 84.57 O ATOM 1541 CB ALA A 192 -6.166 11.856 148.641 1.00 63.48 C ATOM 1542 N ASP A 193 -8.355 11.768 150.952 1.00 76.67 N ATOM 1543 CA ASP A 193 -9.743 11.464 151.288 1.00 79.93 C ATOM 1544 C ASP A 193 -10.433 12.568 152.085 1.00 77.72 C ATOM 1545 O ASP A 193 -9.828 13.594 152.400 1.00 82.21 O ATOM 1546 CB ASP A 193 -9.831 10.135 152.042 1.00 82.11 C ATOM 1547 N SER A 194 -11.705 12.350 152.404 1.00 72.68 N ATOM 1548 CA SER A 194 -12.470 13.308 153.192 1.00 91.11 C ATOM 1549 C SER A 194 -13.264 12.610 154.295 1.00 93.02 C ATOM 1550 O SER A 194 -12.994 11.454 154.629 1.00 95.14 O ATOM 1551 CB SER A 194 -13.412 14.106 152.292 1.00 77.11 C ATOM 1552 OG SER A 194 -14.374 13.261 151.690 1.00 90.10 O ATOM 1553 N TYR A 195 -14.238 13.325 154.853 1.00 76.44 N ATOM 1554 CA TYR A 195 -15.092 12.805 155.919 1.00 86.89 C ATOM 1555 C TYR A 195 -14.289 12.305 157.118 1.00 94.39 C ATOM 1556 O TYR A 195 -14.310 12.910 158.189 1.00 69.34 O ATOM 1557 CB TYR A 195 -16.009 11.698 155.389 1.00 74.00 C TER 1558 TYR A 195 ATOM 1559 P DC B 2 -17.078 -0.978 131.364 1.00147.46 P ATOM 1560 OP1 DC B 2 -17.046 -2.413 131.003 1.00118.58 O ATOM 1561 OP2 DC B 2 -16.585 -0.539 132.689 1.00123.31 O ATOM 1562 O5' DC B 2 -18.570 -0.424 131.181 1.00135.91 O ATOM 1563 C5' DC B 2 -19.633 -0.948 131.968 1.00134.35 C ATOM 1564 C4' DC B 2 -20.898 -0.127 131.788 1.00138.06 C ATOM 1565 O4' DC B 2 -20.679 1.205 132.311 1.00143.39 O ATOM 1566 C3' DC B 2 -21.327 0.070 130.339 1.00130.91 C ATOM 1567 O3' DC B 2 -22.219 -0.968 129.880 1.00142.99 O ATOM 1568 C2' DC B 2 -21.990 1.448 130.330 1.00112.27 C ATOM 1569 C1' DC B 2 -21.389 2.157 131.542 1.00121.38 C ATOM 1570 N1 DC B 2 -20.451 3.263 131.192 1.00106.78 N ATOM 1571 C2 DC B 2 -20.958 4.536 130.916 1.00 86.08 C ATOM 1572 O2 DC B 2 -22.180 4.721 130.962 1.00 78.45 O ATOM 1573 N3 DC B 2 -20.093 5.532 130.603 1.00 70.64 N ATOM 1574 C4 DC B 2 -18.781 5.290 130.564 1.00 81.00 C ATOM 1575 N4 DC B 2 -17.964 6.302 130.252 1.00 72.41 N ATOM 1576 C5 DC B 2 -18.246 3.999 130.844 1.00 84.38 C ATOM 1577 C6 DC B 2 -19.109 3.026 131.150 1.00104.26 C ATOM 1578 P DG B 3 -23.341 -1.600 130.849 1.00148.36 P ATOM 1579 OP1 DG B 3 -24.065 -0.513 131.545 1.00125.57 O ATOM 1580 OP2 DG B 3 -22.700 -2.676 131.636 1.00131.88 O ATOM 1581 O5' DG B 3 -24.358 -2.312 129.838 1.00125.00 O ATOM 1582 C5' DG B 3 -24.371 -1.986 128.447 1.00119.59 C ATOM 1583 C4' DG B 3 -25.272 -0.801 128.145 1.00116.90 C ATOM 1584 O4' DG B 3 -24.523 0.428 128.330 1.00112.81 O ATOM 1585 C3' DG B 3 -25.786 -0.728 126.711 1.00116.81 C ATOM 1586 O3' DG B 3 -27.005 0.008 126.652 1.00120.40 O ATOM 1587 C2' DG B 3 -24.657 0.023 126.020 1.00106.22 C ATOM 1588 C1' DG B 3 -24.356 1.074 127.082 1.00103.35 C ATOM 1589 N9 DG B 3 -23.002 1.611 127.009 1.00 92.16 N ATOM 1590 C8 DG B 3 -21.833 0.899 126.898 1.00 95.70 C ATOM 1591 N7 DG B 3 -20.772 1.655 126.856 1.00 91.53 N ATOM 1592 C5 DG B 3 -21.268 2.949 126.945 1.00 80.47 C ATOM 1593 C6 DG B 3 -20.585 4.188 126.949 1.00 71.69 C ATOM 1594 O6 DG B 3 -19.365 4.396 126.872 1.00 69.50 O ATOM 1595 N1 DG B 3 -21.472 5.256 127.056 1.00 69.94 N ATOM 1596 C2 DG B 3 -22.840 5.142 127.147 1.00 77.85 C ATOM 1597 N2 DG B 3 -23.525 6.290 127.243 1.00 71.52 N ATOM 1598 N3 DG B 3 -23.492 3.986 127.144 1.00 86.43 N ATOM 1599 C4 DG B 3 -22.641 2.938 127.040 1.00 85.75 C ATOM 1600 P DC B 4 -27.985 -0.151 125.386 1.00121.16 P ATOM 1601 OP1 DC B 4 -29.326 -0.504 125.902 1.00105.15 O ATOM 1602 OP2 DC B 4 -27.315 -1.036 124.407 1.00113.23 O ATOM 1603 O5' DC B 4 -28.075 1.325 124.774 1.00120.35 O ATOM 1604 C5' DC B 4 -29.220 2.132 125.033 1.00107.87 C ATOM 1605 C4' DC B 4 -28.957 3.590 124.702 1.00102.38 C ATOM 1606 O4' DC B 4 -27.656 3.953 125.222 1.00109.45 O ATOM 1607 C3' DC B 4 -28.884 3.943 123.217 1.00105.46 C ATOM 1608 O3' DC B 4 -30.189 4.137 122.585 1.00118.82 O ATOM 1609 C2' DC B 4 -27.966 5.164 123.195 1.00 95.67 C ATOM 1610 C1' DC B 4 -27.089 4.981 124.431 1.00103.41 C ATOM 1611 N1 DC B 4 -25.680 4.611 124.118 1.00 93.62 N ATOM 1612 C2 DC B 4 -24.693 5.599 124.124 1.00 85.95 C ATOM 1613 O2 DC B 4 -25.012 6.763 124.387 1.00 83.95 O ATOM 1614 N3 DC B 4 -23.413 5.252 123.841 1.00 81.81 N ATOM 1615 C4 DC B 4 -23.114 3.982 123.564 1.00 81.82 C ATOM 1616 N4 DC B 4 -21.840 3.685 123.290 1.00 70.06 N ATOM 1617 C5 DC B 4 -24.107 2.959 123.551 1.00 89.81 C ATOM 1618 C6 DC B 4 -25.364 3.317 123.832 1.00 93.54 C ATOM 1619 P DG B 5 -31.152 5.384 122.940 1.00124.29 P ATOM 1620 OP1 DG B 5 -31.273 5.536 124.406 1.00123.80 O ATOM 1621 OP2 DG B 5 -32.380 5.191 122.140 1.00111.25 O ATOM 1622 O5' DG B 5 -30.390 6.671 122.370 1.00103.82 O ATOM 1623 C5' DG B 5 -30.264 6.892 120.972 1.00 96.66 C ATOM 1624 C4' DG B 5 -29.251 7.992 120.714 1.00 91.41 C ATOM 1625 O4' DG B 5 -27.929 7.519 121.085 1.00 87.02 O ATOM 1626 C3' DG B 5 -29.135 8.431 119.262 1.00 92.44 C ATOM 1627 O3' DG B 5 -28.761 9.796 119.204 1.00 89.04 O ATOM 1628 C2' DG B 5 -28.022 7.531 118.741 1.00 98.21 C ATOM 1629 C1' DG B 5 -27.090 7.505 119.948 1.00 87.78 C ATOM 1630 N9 DG B 5 -26.236 6.320 119.990 1.00 84.21 N ATOM 1631 C8 DG B 5 -26.626 5.021 119.775 1.00 85.44 C ATOM 1632 N7 DG B 5 -25.648 4.165 119.870 1.00 88.99 N ATOM 1633 C5 DG B 5 -24.537 4.943 120.166 1.00 87.87 C ATOM 1634 C6 DG B 5 -23.191 4.561 120.381 1.00 83.26 C ATOM 1635 O6 DG B 5 -22.698 3.423 120.354 1.00 81.93 O ATOM 1636 N1 DG B 5 -22.386 5.664 120.655 1.00 77.90 N ATOM 1637 C2 DG B 5 -22.827 6.966 120.711 1.00 82.41 C ATOM 1638 N2 DG B 5 -21.897 7.892 120.988 1.00 77.93 N ATOM 1639 N3 DG B 5 -24.086 7.337 120.510 1.00 87.31 N ATOM 1640 C4 DG B 5 -24.882 6.275 120.243 1.00 89.87 C ATOM 1641 P DA B 6 -29.318 10.733 118.023 1.00113.05 P ATOM 1642 OP1 DA B 6 -30.467 11.496 118.558 1.00119.29 O ATOM 1643 OP2 DA B 6 -29.495 9.883 116.824 1.00100.44 O ATOM 1644 O5' DA B 6 -28.112 11.741 117.736 1.00 97.42 O ATOM 1645 C5' DA B 6 -27.581 12.520 118.798 1.00 83.99 C ATOM 1646 C4' DA B 6 -26.083 12.711 118.641 1.00 83.77 C ATOM 1647 O4' DA B 6 -25.411 11.440 118.834 1.00 78.37 O ATOM 1648 C3' DA B 6 -25.622 13.227 117.281 1.00 82.36 C ATOM 1649 O3' DA B 6 -24.599 14.189 117.473 1.00 81.89 O ATOM 1650 C2' DA B 6 -25.072 11.981 116.596 1.00 81.86 C ATOM 1651 C1' DA B 6 -24.471 11.261 117.795 1.00 83.27 C ATOM 1652 N9 DA B 6 -24.276 9.831 117.590 1.00 78.80 N ATOM 1653 C8 DA B 6 -25.246 8.905 117.338 1.00 73.41 C ATOM 1654 N7 DA B 6 -24.787 7.686 117.201 1.00 70.51 N ATOM 1655 C5 DA B 6 -23.420 7.822 117.375 1.00 72.50 C ATOM 1656 C6 DA B 6 -22.361 6.893 117.349 1.00 74.67 C ATOM 1657 N6 DA B 6 -22.535 5.585 117.126 1.00 75.83 N ATOM 1658 N1 DA B 6 -21.114 7.367 117.562 1.00 68.30 N ATOM 1659 C2 DA B 6 -20.943 8.677 117.784 1.00 70.09 C ATOM 1660 N3 DA B 6 -21.860 9.642 117.832 1.00 71.86 N ATOM 1661 C4 DA B 6 -23.087 9.140 117.617 1.00 74.05 C ATOM 1662 P DA B 7 -24.209 15.199 116.288 1.00 84.00 P ATOM 1663 OP1 DA B 7 -23.913 16.506 116.914 1.00 83.02 O ATOM 1664 OP2 DA B 7 -25.256 15.101 115.245 1.00 88.89 O ATOM 1665 O5' DA B 7 -22.843 14.601 115.705 1.00 85.49 O ATOM 1666 C5' DA B 7 -21.683 14.546 116.523 1.00 66.23 C ATOM 1667 C4' DA B 7 -20.569 13.774 115.834 1.00 75.10 C ATOM 1668 O4' DA B 7 -20.869 12.356 115.867 1.00 84.04 O ATOM 1669 C3' DA B 7 -20.335 14.132 114.368 1.00 75.53 C ATOM 1670 O3' DA B 7 -18.947 14.307 114.128 1.00 74.30 O ATOM 1671 C2' DA B 7 -20.867 12.921 113.607 1.00 71.72 C ATOM 1672 C1' DA B 7 -20.590 11.800 114.601 1.00 78.61 C ATOM 1673 N9 DA B 7 -21.437 10.626 114.415 1.00 77.67 N ATOM 1674 C8 DA B 7 -22.797 10.616 114.288 1.00 83.66 C ATOM 1675 N7 DA B 7 -23.302 9.416 114.131 1.00 80.27 N ATOM 1676 C5 DA B 7 -22.198 8.581 114.161 1.00 74.78 C ATOM 1677 C6 DA B 7 -22.060 7.184 114.047 1.00 74.26 C ATOM 1678 N6 DA B 7 -23.096 6.353 113.875 1.00 73.28 N ATOM 1679 N1 DA B 7 -20.811 6.675 114.119 1.00 72.12 N ATOM 1680 C2 DA B 7 -19.777 7.509 114.293 1.00 72.46 C ATOM 1681 N3 DA B 7 -19.785 8.836 114.411 1.00 69.62 N ATOM 1682 C4 DA B 7 -21.038 9.311 114.337 1.00 72.24 C ATOM 1683 P DC B 8 -18.448 15.394 113.056 1.00 71.60 P ATOM 1684 OP1 DC B 8 -17.882 16.541 113.799 1.00 76.69 O ATOM 1685 OP2 DC B 8 -19.554 15.615 112.096 1.00 82.79 O ATOM 1686 O5' DC B 8 -17.260 14.654 112.282 1.00 72.17 O ATOM 1687 C5' DC B 8 -17.556 13.638 111.335 1.00 81.48 C ATOM 1688 C4' DC B 8 -16.744 12.384 111.601 1.00 73.66 C ATOM 1689 O4' DC B 8 -17.611 11.403 112.217 1.00 82.10 O ATOM 1690 C3' DC B 8 -16.147 11.741 110.353 1.00 76.80 C ATOM 1691 O3' DC B 8 -14.735 11.939 110.343 1.00 86.64 O ATOM 1692 C2' DC B 8 -16.495 10.256 110.439 1.00 71.37 C ATOM 1693 C1' DC B 8 -17.400 10.121 111.661 1.00 75.37 C ATOM 1694 N1 DC B 8 -18.737 9.533 111.361 1.00 74.74 N ATOM 1695 C2 DC B 8 -18.866 8.157 111.157 1.00 74.10 C ATOM 1696 O2 DC B 8 -17.862 7.440 111.225 1.00 85.19 O ATOM 1697 N3 DC B 8 -20.092 7.644 110.890 1.00 65.43 N ATOM 1698 C4 DC B 8 -21.155 8.447 110.827 1.00 68.09 C ATOM 1699 N4 DC B 8 -22.343 7.897 110.560 1.00 68.77 N ATOM 1700 C5 DC B 8 -21.044 9.853 111.031 1.00 70.17 C ATOM 1701 C6 DC B 8 -19.829 10.346 111.294 1.00 76.78 C ATOM 1702 P DG B 9 -13.991 12.367 108.984 1.00 84.36 P ATOM 1703 OP1 DG B 9 -12.601 12.750 109.325 1.00 89.18 O ATOM 1704 OP2 DG B 9 -14.870 13.335 108.292 1.00 97.36 O ATOM 1705 O5' DG B 9 -13.967 11.022 108.119 1.00106.22 O ATOM 1706 C5' DG B 9 -13.168 9.917 108.528 1.00101.58 C ATOM 1707 C4' DG B 9 -13.435 8.696 107.662 1.00 89.20 C ATOM 1708 O4' DG B 9 -14.794 8.241 107.882 1.00 80.51 O ATOM 1709 C3' DG B 9 -13.298 8.909 106.157 1.00 84.77 C ATOM 1710 O3' DG B 9 -12.747 7.749 105.542 1.00 98.85 O ATOM 1711 C2' DG B 9 -14.735 9.142 105.705 1.00 80.39 C ATOM 1712 C1' DG B 9 -15.514 8.253 106.667 1.00 79.84 C ATOM 1713 N9 DG B 9 -16.851 8.762 106.940 1.00 72.32 N ATOM 1714 C8 DG B 9 -17.225 10.080 107.025 1.00 72.53 C ATOM 1715 N7 DG B 9 -18.492 10.239 107.283 1.00 74.14 N ATOM 1716 C5 DG B 9 -18.988 8.946 107.375 1.00 64.05 C ATOM 1717 C6 DG B 9 -20.302 8.494 107.638 1.00 66.44 C ATOM 1718 O6 DG B 9 -21.319 9.171 107.847 1.00 68.05 O ATOM 1719 N1 DG B 9 -20.368 7.103 107.644 1.00 70.88 N ATOM 1720 C2 DG B 9 -19.303 6.260 107.425 1.00 74.55 C ATOM 1721 N2 DG B 9 -19.572 4.948 107.470 1.00 71.11 N ATOM 1722 N3 DG B 9 -18.066 6.671 107.175 1.00 67.64 N ATOM 1723 C4 DG B 9 -17.988 8.023 107.167 1.00 66.10 C ATOM 1724 P DG B 10 -12.342 7.775 103.986 1.00 93.38 P ATOM 1725 OP1 DG B 10 -11.338 6.710 103.770 1.00 90.12 O ATOM 1726 OP2 DG B 10 -12.014 9.173 103.625 1.00 84.16 O ATOM 1727 O5' DG B 10 -13.696 7.384 103.226 1.00 83.12 O ATOM 1728 C5' DG B 10 -14.264 6.089 103.394 1.00 82.27 C ATOM 1729 C4' DG B 10 -15.743 6.081 103.038 1.00 85.42 C ATOM 1730 O4' DG B 10 -16.377 7.257 103.601 1.00 84.56 O ATOM 1731 C3' DG B 10 -16.082 6.123 101.552 1.00 98.97 C ATOM 1732 O3' DG B 10 -17.322 5.466 101.336 1.00109.47 O ATOM 1733 C2' DG B 10 -16.227 7.618 101.303 1.00 92.29 C ATOM 1734 C1' DG B 10 -16.989 7.997 102.565 1.00 77.83 C ATOM 1735 N9 DG B 10 -16.911 9.411 102.907 1.00 74.36 N ATOM 1736 C8 DG B 10 -15.860 10.264 102.671 1.00 71.61 C ATOM 1737 N7 DG B 10 -16.082 11.477 103.094 1.00 80.07 N ATOM 1738 C5 DG B 10 -17.357 11.424 103.644 1.00 82.29 C ATOM 1739 C6 DG B 10 -18.128 12.440 104.257 1.00 80.89 C ATOM 1740 O6 DG B 10 -17.829 13.629 104.443 1.00 88.89 O ATOM 1741 N1 DG B 10 -19.367 11.957 104.675 1.00 66.28 N ATOM 1742 C2 DG B 10 -19.802 10.661 104.520 1.00 72.00 C ATOM 1743 N2 DG B 10 -21.028 10.388 104.991 1.00 70.91 N ATOM 1744 N3 DG B 10 -19.088 9.699 103.948 1.00 70.23 N ATOM 1745 C4 DG B 10 -17.881 10.155 103.536 1.00 76.70 C ATOM 1746 P DA B 11 -17.686 4.871 99.888 1.00 95.84 P ATOM 1747 OP1 DA B 11 -17.342 3.432 99.889 1.00102.20 O ATOM 1748 OP2 DA B 11 -17.098 5.765 98.865 1.00 75.33 O ATOM 1749 O5' DA B 11 -19.275 5.015 99.804 1.00 89.28 O ATOM 1750 C5' DA B 11 -19.855 6.187 99.249 1.00 94.24 C ATOM 1751 C4' DA B 11 -21.079 6.614 100.038 1.00101.84 C ATOM 1752 O4' DA B 11 -20.707 7.680 100.947 1.00 85.75 O ATOM 1753 C3' DA B 11 -22.215 7.177 99.195 1.00104.97 C ATOM 1754 O3' DA B 11 -23.471 6.926 99.825 1.00116.21 O ATOM 1755 C2' DA B 11 -21.896 8.668 99.139 1.00 91.73 C ATOM 1756 C1' DA B 11 -21.159 8.927 100.452 1.00 84.82 C ATOM 1757 N9 DA B 11 -20.007 9.814 100.299 1.00 82.85 N ATOM 1758 C8 DA B 11 -18.831 9.529 99.663 1.00 79.16 C ATOM 1759 N7 DA B 11 -17.970 10.518 99.680 1.00 68.84 N ATOM 1760 C5 DA B 11 -18.624 11.522 100.375 1.00 79.86 C ATOM 1761 C6 DA B 11 -18.245 12.830 100.736 1.00 78.94 C ATOM 1762 N6 DA B 11 -17.057 13.364 100.426 1.00 84.16 N ATOM 1763 N1 DA B 11 -19.137 13.569 101.431 1.00 73.16 N ATOM 1764 C2 DA B 11 -20.323 13.030 101.739 1.00 67.52 C ATOM 1765 N3 DA B 11 -20.790 11.814 101.456 1.00 60.44 N ATOM 1766 C4 DA B 11 -19.883 11.104 100.766 1.00 75.40 C ATOM 1767 P DA B 12 -24.601 6.075 99.061 1.00124.24 P ATOM 1768 OP1 DA B 12 -24.071 5.734 97.722 1.00105.47 O ATOM 1769 OP2 DA B 12 -25.882 6.806 99.182 1.00113.43 O ATOM 1770 O5' DA B 12 -24.699 4.717 99.901 1.00118.80 O ATOM 1771 C5' DA B 12 -25.543 4.619 101.046 1.00109.55 C ATOM 1772 C4' DA B 12 -25.591 3.172 101.507 1.00114.41 C ATOM 1773 O4' DA B 12 -24.240 2.734 101.790 1.00105.19 O ATOM 1774 C3' DA B 12 -26.356 2.885 102.789 1.00114.81 C ATOM 1775 O3' DA B 12 -26.715 1.509 102.809 1.00117.20 O ATOM 1776 C2' DA B 12 -25.307 3.211 103.848 1.00111.51 C ATOM 1777 C1' DA B 12 -24.028 2.694 103.189 1.00112.20 C ATOM 1778 N9 DA B 12 -22.805 3.446 103.484 1.00110.03 N ATOM 1779 C8 DA B 12 -21.564 2.896 103.626 1.00105.11 C ATOM 1780 N7 DA B 12 -20.619 3.766 103.883 1.00 96.88 N ATOM 1781 C5 DA B 12 -21.284 4.979 103.912 1.00 93.20 C ATOM 1782 C6 DA B 12 -20.836 6.296 104.138 1.00 82.69 C ATOM 1783 N6 DA B 12 -19.557 6.599 104.384 1.00 78.78 N ATOM 1784 N1 DA B 12 -21.752 7.286 104.101 1.00 79.33 N ATOM 1785 C2 DA B 12 -23.028 6.972 103.853 1.00 89.46 C ATOM 1786 N3 DA B 12 -23.564 5.774 103.624 1.00 98.22 N ATOM 1787 C4 DA B 12 -22.634 4.805 103.668 1.00101.26 C ATOM 1788 P DC B 13 -27.745 0.953 103.910 1.00120.41 P ATOM 1789 OP1 DC B 13 -28.233 -0.363 103.442 1.00100.92 O ATOM 1790 OP2 DC B 13 -28.714 2.032 104.206 1.00119.63 O ATOM 1791 O5' DC B 13 -26.828 0.708 105.199 1.00123.23 O ATOM 1792 C5' DC B 13 -25.689 -0.145 105.112 1.00113.79 C ATOM 1793 C4' DC B 13 -24.778 0.026 106.316 1.00110.36 C ATOM 1794 O4' DC B 13 -24.126 1.322 106.265 1.00104.97 O ATOM 1795 C3' DC B 13 -25.483 -0.041 107.671 1.00113.18 C ATOM 1796 O3' DC B 13 -24.679 -0.724 108.626 1.00115.40 O ATOM 1797 C2' DC B 13 -25.591 1.432 108.050 1.00111.95 C ATOM 1798 C1' DC B 13 -24.232 1.900 107.547 1.00106.64 C ATOM 1799 N1 DC B 13 -24.071 3.376 107.439 1.00 95.73 N ATOM 1800 C2 DC B 13 -22.785 3.916 107.355 1.00 90.76 C ATOM 1801 O2 DC B 13 -21.812 3.154 107.370 1.00 91.73 O ATOM 1802 N3 DC B 13 -22.640 5.260 107.258 1.00 85.21 N ATOM 1803 C4 DC B 13 -23.716 6.046 107.246 1.00 87.81 C ATOM 1804 N4 DC B 13 -23.523 7.365 107.149 1.00 81.50 N ATOM 1805 C5 DC B 13 -25.036 5.516 107.332 1.00 86.44 C ATOM 1806 C6 DC B 13 -25.165 4.188 107.427 1.00 92.09 C ATOM 1807 P DG B 14 -24.361 -2.292 108.465 1.00111.00 P ATOM 1808 OP1 DG B 14 -25.302 -2.870 107.480 1.00118.03 O ATOM 1809 OP2 DG B 14 -24.293 -2.868 109.826 1.00107.94 O ATOM 1810 O5' DG B 14 -22.878 -2.320 107.865 1.00 98.31 O ATOM 1811 C5' DG B 14 -21.873 -3.067 108.541 1.00 88.34 C ATOM 1812 C4' DG B 14 -20.685 -2.198 108.915 1.00101.03 C ATOM 1813 O4' DG B 14 -21.065 -0.799 108.884 1.00107.56 O ATOM 1814 C3' DG B 14 -20.111 -2.458 110.306 1.00103.92 C ATOM 1815 O3' DG B 14 -18.691 -2.547 110.254 1.00 97.61 O ATOM 1816 C2' DG B 14 -20.563 -1.247 111.116 1.00 98.15 C ATOM 1817 C1' DG B 14 -20.565 -0.166 110.043 1.00 99.28 C ATOM 1818 N9 DG B 14 -21.422 0.973 110.356 1.00 95.98 N ATOM 1819 C8 DG B 14 -22.776 0.949 110.581 1.00 96.68 C ATOM 1820 N7 DG B 14 -23.279 2.123 110.838 1.00 91.40 N ATOM 1821 C5 DG B 14 -22.189 2.982 110.779 1.00 90.83 C ATOM 1822 C6 DG B 14 -22.124 4.382 110.973 1.00 87.81 C ATOM 1823 O6 DG B 14 -23.047 5.165 111.244 1.00 84.30 O ATOM 1824 N1 DG B 14 -20.823 4.856 110.822 1.00 76.72 N ATOM 1825 C2 DG B 14 -19.728 4.078 110.524 1.00 76.52 C ATOM 1826 N2 DG B 14 -18.555 4.719 110.420 1.00 66.85 N ATOM 1827 N3 DG B 14 -19.776 2.765 110.340 1.00 83.23 N ATOM 1828 C4 DG B 14 -21.036 2.288 110.483 1.00 89.17 C ATOM 1829 P DT B 15 -17.878 -3.139 111.506 1.00120.27 P ATOM 1830 OP1 DT B 15 -16.673 -3.816 110.976 1.00 97.18 O ATOM 1831 OP2 DT B 15 -18.839 -3.892 112.345 1.00 84.77 O ATOM 1832 O5' DT B 15 -17.402 -1.838 112.309 1.00111.97 O ATOM 1833 C5' DT B 15 -16.388 -0.999 111.764 1.00106.84 C ATOM 1834 C4' DT B 15 -16.319 0.338 112.482 1.00 93.24 C ATOM 1835 O4' DT B 15 -17.588 1.021 112.368 1.00 92.96 O ATOM 1836 C3' DT B 15 -16.048 0.287 113.982 1.00 91.47 C ATOM 1837 O3' DT B 15 -14.647 0.399 114.229 1.00106.16 O ATOM 1838 C2' DT B 15 -16.810 1.491 114.537 1.00 89.20 C ATOM 1839 C1' DT B 15 -17.595 2.037 113.346 1.00 83.86 C ATOM 1840 N1 DT B 15 -19.001 2.393 113.682 1.00 81.38 N ATOM 1841 C2 DT B 15 -19.345 3.721 113.781 1.00 83.75 C ATOM 1842 O2 DT B 15 -18.553 4.628 113.600 1.00 78.34 O ATOM 1843 N3 DT B 15 -20.658 3.953 114.096 1.00 79.84 N ATOM 1844 C4 DT B 15 -21.640 3.007 114.321 1.00 84.06 C ATOM 1845 O4 DT B 15 -22.794 3.312 114.600 1.00 82.43 O ATOM 1846 C5 DT B 15 -21.211 1.637 114.205 1.00 86.73 C ATOM 1847 C7 DT B 15 -22.189 0.522 114.428 1.00 75.34 C ATOM 1848 C6 DT B 15 -19.931 1.398 113.896 1.00 79.67 C ATOM 1849 P DT B 16 -14.087 0.455 115.736 1.00 85.41 P ATOM 1850 OP1 DT B 16 -12.697 -0.052 115.712 1.00 86.21 O ATOM 1851 OP2 DT B 16 -15.087 -0.181 116.623 1.00 67.57 O ATOM 1852 O5' DT B 16 -14.024 2.018 116.066 1.00 80.67 O ATOM 1853 C5' DT B 16 -13.247 2.876 115.242 1.00 71.91 C ATOM 1854 C4' DT B 16 -13.577 4.334 115.509 1.00 69.01 C ATOM 1855 O4' DT B 16 -15.015 4.527 115.443 1.00 71.72 O ATOM 1856 C3' DT B 16 -13.144 4.874 116.870 1.00 65.56 C ATOM 1857 O3' DT B 16 -12.668 6.207 116.714 1.00 77.68 O ATOM 1858 C2' DT B 16 -14.442 4.834 117.667 1.00 64.70 C ATOM 1859 C1' DT B 16 -15.429 5.248 116.584 1.00 66.40 C ATOM 1860 N1 DT B 16 -16.848 4.911 116.885 1.00 68.57 N ATOM 1861 C2 DT B 16 -17.804 5.898 116.802 1.00 69.06 C ATOM 1862 O2 DT B 16 -17.555 7.047 116.490 1.00 70.94 O ATOM 1863 N3 DT B 16 -19.078 5.489 117.100 1.00 63.40 N ATOM 1864 C4 DT B 16 -19.484 4.219 117.465 1.00 79.78 C ATOM 1865 O4 DT B 16 -20.653 3.947 117.714 1.00 81.28 O ATOM 1866 C5 DT B 16 -18.434 3.236 117.533 1.00 80.02 C ATOM 1867 C7 DT B 16 -18.750 1.822 117.919 1.00 67.74 C ATOM 1868 C6 DT B 16 -17.184 3.623 117.245 1.00 74.81 C ATOM 1869 P DC B 17 -11.585 6.812 117.736 1.00 69.20 P ATOM 1870 OP1 DC B 17 -10.494 7.406 116.932 1.00 70.97 O ATOM 1871 OP2 DC B 17 -11.273 5.775 118.747 1.00 62.36 O ATOM 1872 O5' DC B 17 -12.373 7.994 118.470 1.00 44.41 O ATOM 1873 C5' DC B 17 -13.356 7.684 119.442 1.00 60.74 C ATOM 1874 C4' DC B 17 -14.462 8.720 119.462 1.00 58.10 C ATOM 1875 O4' DC B 17 -15.690 8.079 119.039 1.00 54.85 O ATOM 1876 C3' DC B 17 -14.713 9.336 120.835 1.00 79.32 C ATOM 1877 O3' DC B 17 -14.542 10.751 120.786 1.00 75.74 O ATOM 1878 C2' DC B 17 -16.147 8.963 121.206 1.00 79.75 C ATOM 1879 C1' DC B 17 -16.743 8.351 119.942 1.00 71.24 C ATOM 1880 N1 DC B 17 -17.473 7.081 120.218 1.00 64.23 N ATOM 1881 C2 DC B 17 -18.844 7.112 120.495 1.00 71.04 C ATOM 1882 O2 DC B 17 -19.434 8.198 120.504 1.00 72.14 O ATOM 1883 N3 DC B 17 -19.494 5.950 120.745 1.00 71.95 N ATOM 1884 C4 DC B 17 -18.827 4.796 120.729 1.00 75.58 C ATOM 1885 N4 DC B 17 -19.510 3.676 120.981 1.00 84.11 N ATOM 1886 C5 DC B 17 -17.429 4.741 120.453 1.00 66.26 C ATOM 1887 C6 DC B 17 -16.801 5.896 120.206 1.00 62.76 C ATOM 1888 P DG B 18 -14.273 11.575 122.140 1.00 70.93 P ATOM 1889 OP1 DG B 18 -13.542 12.809 121.774 1.00 63.30 O ATOM 1890 OP2 DG B 18 -13.684 10.637 123.121 1.00 71.53 O ATOM 1891 O5' DG B 18 -15.736 11.988 122.640 1.00 62.36 O ATOM 1892 C5' DG B 18 -16.495 12.919 121.880 1.00 65.16 C ATOM 1893 C4' DG B 18 -17.794 13.316 122.567 1.00 63.39 C ATOM 1894 O4' DG B 18 -18.683 12.175 122.649 1.00 76.73 O ATOM 1895 C3' DG B 18 -17.680 13.844 123.992 1.00 72.32 C ATOM 1896 O3' DG B 18 -18.712 14.794 124.216 1.00 76.95 O ATOM 1897 C2' DG B 18 -17.895 12.590 124.833 1.00 73.78 C ATOM 1898 C1' DG B 18 -18.943 11.858 124.002 1.00 76.03 C ATOM 1899 N9 DG B 18 -18.866 10.409 124.103 1.00 74.02 N ATOM 1900 C8 DG B 18 -17.724 9.651 124.089 1.00 71.15 C ATOM 1901 N7 DG B 18 -17.956 8.375 124.184 1.00 69.90 N ATOM 1902 C5 DG B 18 -19.339 8.279 124.262 1.00 69.65 C ATOM 1903 C6 DG B 18 -20.164 7.136 124.381 1.00 77.67 C ATOM 1904 O6 DG B 18 -19.826 5.944 124.442 1.00 76.83 O ATOM 1905 N1 DG B 18 -21.511 7.488 124.428 1.00 77.91 N ATOM 1906 C2 DG B 18 -21.993 8.776 124.369 1.00 74.49 C ATOM 1907 N2 DG B 18 -23.326 8.911 124.429 1.00 71.20 N ATOM 1908 N3 DG B 18 -21.229 9.855 124.257 1.00 68.17 N ATOM 1909 C4 DG B 18 -19.916 9.527 124.210 1.00 66.68 C ATOM 1910 P DC B 19 -18.649 15.767 125.493 1.00 79.21 P ATOM 1911 OP1 DC B 19 -19.625 16.858 125.273 1.00 71.46 O ATOM 1912 OP2 DC B 19 -17.226 16.086 125.748 1.00 73.76 O ATOM 1913 O5' DC B 19 -19.170 14.853 126.699 1.00 72.89 O ATOM 1914 C5' DC B 19 -20.551 14.523 126.780 1.00 71.60 C ATOM 1915 C4' DC B 19 -20.813 13.428 127.800 1.00 80.08 C ATOM 1916 O4' DC B 19 -20.474 12.131 127.257 1.00 87.66 O ATOM 1917 C3' DC B 19 -20.012 13.509 129.096 1.00 72.36 C ATOM 1918 O3' DC B 19 -20.743 14.215 130.092 1.00 80.89 O ATOM 1919 C2' DC B 19 -19.809 12.047 129.495 1.00 60.94 C ATOM 1920 C1' DC B 19 -20.478 11.265 128.367 1.00 65.99 C ATOM 1921 N1 DC B 19 -19.778 9.993 128.034 1.00 62.92 N ATOM 1922 C2 DC B 19 -20.519 8.813 127.912 1.00 67.35 C ATOM 1923 O2 DC B 19 -21.744 8.851 128.071 1.00 71.98 O ATOM 1924 N3 DC B 19 -19.875 7.660 127.616 1.00 62.76 N ATOM 1925 C4 DC B 19 -18.554 7.659 127.450 1.00 66.95 C ATOM 1926 N4 DC B 19 -17.968 6.494 127.163 1.00 64.48 N ATOM 1927 C5 DC B 19 -17.777 8.849 127.574 1.00 66.86 C ATOM 1928 C6 DC B 19 -18.425 9.982 127.867 1.00 65.75 C ATOM 1929 P DA B 20 -19.981 15.211 131.097 1.00 71.64 P ATOM 1930 OP1 DA B 20 -21.013 15.901 131.903 1.00 68.03 O ATOM 1931 OP2 DA B 20 -19.014 16.004 130.307 1.00 63.35 O ATOM 1932 O5' DA B 20 -19.137 14.236 132.044 1.00 69.37 O ATOM 1933 C5' DA B 20 -19.796 13.356 132.945 1.00 65.69 C ATOM 1934 C4' DA B 20 -18.795 12.474 133.673 1.00 66.63 C ATOM 1935 O4' DA B 20 -18.190 11.544 132.738 1.00 72.32 O ATOM 1936 C3' DA B 20 -17.645 13.214 134.348 1.00 73.22 C ATOM 1937 O3' DA B 20 -17.350 12.605 135.594 1.00 85.41 O ATOM 1938 C2' DA B 20 -16.485 13.039 133.374 1.00 65.06 C ATOM 1939 C1' DA B 20 -16.785 11.675 132.762 1.00 63.51 C ATOM 1940 N9 DA B 20 -16.301 11.547 131.392 1.00 76.92 N ATOM 1941 C8 DA B 20 -16.427 12.472 130.395 1.00 71.07 C ATOM 1942 N7 DA B 20 -15.897 12.093 129.259 1.00 76.20 N ATOM 1943 C5 DA B 20 -15.391 10.832 129.529 1.00 74.51 C ATOM 1944 C6 DA B 20 -14.704 9.894 128.733 1.00 73.27 C ATOM 1945 N6 DA B 20 -14.402 10.101 127.446 1.00 69.16 N ATOM 1946 N1 DA B 20 -14.341 8.732 129.317 1.00 76.25 N ATOM 1947 C2 DA B 20 -14.645 8.526 130.606 1.00 70.56 C ATOM 1948 N3 DA B 20 -15.285 9.333 131.451 1.00 77.50 N ATOM 1949 C4 DA B 20 -15.632 10.478 130.842 1.00 76.32 C ATOM 1950 P DT B 21 -17.200 13.510 136.913 1.00 73.61 P ATOM 1951 OP1 DT B 21 -18.535 14.064 137.227 1.00 73.28 O ATOM 1952 OP2 DT B 21 -16.047 14.415 136.717 1.00 66.04 O ATOM 1953 O5' DT B 21 -16.803 12.466 138.052 1.00 84.61 O ATOM 1954 C5' DT B 21 -17.692 11.413 138.386 1.00 81.42 C ATOM 1955 C4' DT B 21 -16.905 10.179 138.781 1.00 80.03 C ATOM 1956 O4' DT B 21 -16.069 9.790 137.662 1.00 79.37 O ATOM 1957 C3' DT B 21 -15.972 10.374 139.971 1.00 74.31 C ATOM 1958 O3' DT B 21 -15.976 9.218 140.804 1.00 80.71 O ATOM 1959 C2' DT B 21 -14.611 10.574 139.314 1.00 76.72 C ATOM 1960 C1' DT B 21 -14.734 9.668 138.096 1.00 73.95 C ATOM 1961 N1 DT B 21 -13.846 10.053 136.973 1.00 63.14 N ATOM 1962 C2 DT B 21 -13.120 9.078 136.333 1.00 75.53 C ATOM 1963 O2 DT B 21 -13.168 7.904 136.640 1.00 84.15 O ATOM 1964 N3 DT B 21 -12.327 9.527 135.311 1.00 73.44 N ATOM 1965 C4 DT B 21 -12.193 10.829 134.876 1.00 76.95 C ATOM 1966 O4 DT B 21 -11.456 11.140 133.948 1.00 89.03 O ATOM 1967 C5 DT B 21 -12.982 11.800 135.589 1.00 75.70 C ATOM 1968 C7 DT B 21 -12.920 13.247 135.206 1.00 66.29 C ATOM 1969 C6 DT B 21 -13.761 11.373 136.590 1.00 74.36 C ATOM 1970 P DA B 22 -16.429 9.332 142.343 1.00 77.99 P ATOM 1971 OP1 DA B 22 -17.222 8.125 142.662 1.00 83.16 O ATOM 1972 OP2 DA B 22 -17.021 10.673 142.546 1.00 64.62 O ATOM 1973 O5' DA B 22 -15.055 9.269 143.165 1.00 65.10 O ATOM 1974 C5' DA B 22 -13.987 10.140 142.827 1.00 73.71 C ATOM 1975 C4' DA B 22 -13.196 10.602 144.035 1.00 74.91 C ATOM 1976 O4' DA B 22 -12.378 11.722 143.631 1.00 80.66 O ATOM 1977 C3' DA B 22 -14.011 11.175 145.180 1.00 77.44 C ATOM 1978 O3' DA B 22 -13.195 11.240 146.342 1.00 83.67 O ATOM 1979 C2' DA B 22 -14.350 12.563 144.643 1.00 73.66 C ATOM 1980 C1' DA B 22 -13.125 12.912 143.797 1.00 79.72 C ATOM 1981 N9 DA B 22 -13.468 13.445 142.481 1.00 68.73 N ATOM 1982 C8 DA B 22 -14.665 13.326 141.835 1.00 65.08 C ATOM 1983 N7 DA B 22 -14.688 13.912 140.664 1.00 69.03 N ATOM 1984 C5 DA B 22 -13.419 14.454 140.533 1.00 75.45 C ATOM 1985 C6 DA B 22 -12.798 15.204 139.515 1.00 73.55 C ATOM 1986 N6 DA B 22 -13.412 15.550 138.379 1.00 70.16 N ATOM 1987 N1 DA B 22 -11.518 15.584 139.711 1.00 66.46 N ATOM 1988 C2 DA B 22 -10.904 15.236 140.848 1.00 67.89 C ATOM 1989 N3 DA B 22 -11.384 14.535 141.873 1.00 76.11 N ATOM 1990 C4 DA B 22 -12.655 14.174 141.647 1.00 69.90 C ATOM 1991 P DA B 23 -13.797 11.787 147.727 1.00 79.88 P ATOM 1992 OP1 DA B 23 -12.933 11.279 148.814 1.00 71.68 O ATOM 1993 OP2 DA B 23 -15.250 11.503 147.742 1.00 74.95 O ATOM 1994 O5' DA B 23 -13.601 13.370 147.631 1.00 82.06 O ATOM 1995 C5' DA B 23 -12.288 13.862 147.435 1.00 81.52 C ATOM 1996 C4' DA B 23 -12.270 15.359 147.189 1.00 85.05 C ATOM 1997 O4' DA B 23 -12.351 15.652 145.770 1.00 85.15 O ATOM 1998 C3' DA B 23 -13.393 16.159 147.850 1.00 81.21 C ATOM 1999 O3' DA B 23 -12.815 17.051 148.801 1.00 91.32 O ATOM 2000 C2' DA B 23 -14.034 16.906 146.678 1.00 71.94 C ATOM 2001 C1' DA B 23 -12.868 16.960 145.698 1.00 84.16 C ATOM 2002 N9 DA B 23 -13.169 17.328 144.309 1.00 93.84 N ATOM 2003 C8 DA B 23 -12.381 18.118 143.518 1.00 89.99 C ATOM 2004 N7 DA B 23 -12.851 18.314 142.312 1.00 74.33 N ATOM 2005 C5 DA B 23 -14.038 17.604 142.302 1.00 80.25 C ATOM 2006 C6 DA B 23 -15.014 17.413 141.305 1.00 81.68 C ATOM 2007 N6 DA B 23 -14.924 17.952 140.085 1.00 72.71 N ATOM 2008 N1 DA B 23 -16.082 16.647 141.613 1.00 88.06 N ATOM 2009 C2 DA B 23 -16.159 16.115 142.839 1.00 89.14 C ATOM 2010 N3 DA B 23 -15.305 16.224 143.855 1.00 85.01 N ATOM 2011 C4 DA B 23 -14.253 16.989 143.524 1.00 84.33 C ATOM 2012 P DG B 24 -13.685 17.614 150.031 1.00 96.56 P ATOM 2013 OP1 DG B 24 -13.019 17.199 151.285 1.00 73.52 O ATOM 2014 OP2 DG B 24 -15.103 17.260 149.795 1.00 74.94 O ATOM 2015 O5' DG B 24 -13.553 19.199 149.886 1.00 77.50 O ATOM 2016 C5' DG B 24 -13.943 19.777 148.658 1.00 70.76 C ATOM 2017 C4' DG B 24 -13.360 21.156 148.452 1.00 60.73 C ATOM 2018 O4' DG B 24 -13.460 21.458 147.043 1.00 90.62 O ATOM 2019 C3' DG B 24 -14.142 22.274 149.114 1.00 72.86 C ATOM 2020 O3' DG B 24 -13.379 23.465 149.114 1.00 76.13 O ATOM 2021 C2' DG B 24 -15.331 22.392 148.169 1.00 77.43 C ATOM 2022 C1' DG B 24 -14.716 22.063 146.807 1.00 92.59 C ATOM 2023 N9 DG B 24 -15.556 21.168 146.013 1.00 84.42 N ATOM 2024 C8 DG B 24 -16.491 20.282 146.492 1.00 81.65 C ATOM 2025 N7 DG B 24 -17.101 19.617 145.555 1.00 83.40 N ATOM 2026 C5 DG B 24 -16.541 20.092 144.377 1.00 82.85 C ATOM 2027 C6 DG B 24 -16.814 19.736 143.037 1.00 84.63 C ATOM 2028 O6 DG B 24 -17.631 18.903 142.618 1.00 84.33 O ATOM 2029 N1 DG B 24 -16.023 20.458 142.147 1.00 83.50 N ATOM 2030 C2 DG B 24 -15.091 21.402 142.511 1.00 81.90 C ATOM 2031 N2 DG B 24 -14.428 21.991 141.505 1.00 79.24 N ATOM 2032 N3 DG B 24 -14.825 21.746 143.765 1.00 83.06 N ATOM 2033 C4 DG B 24 -15.588 21.050 144.642 1.00 82.23 C ATOM 2034 P DT B 25 -13.689 24.619 150.189 1.00 86.88 P ATOM 2035 OP1 DT B 25 -14.282 23.977 151.383 1.00 79.77 O ATOM 2036 OP2 DT B 25 -14.423 25.698 149.494 1.00 80.62 O ATOM 2037 O5' DT B 25 -12.244 25.188 150.563 1.00 77.66 O ATOM 2038 C5' DT B 25 -11.240 24.310 151.048 1.00 67.51 C ATOM 2039 C4' DT B 25 -9.869 24.848 150.691 1.00 71.96 C ATOM 2040 O4' DT B 25 -9.511 24.398 149.362 1.00 88.88 O ATOM 2041 C3' DT B 25 -9.776 26.371 150.686 1.00 74.80 C ATOM 2042 O3' DT B 25 -8.690 26.788 151.504 1.00 77.11 O ATOM 2043 C2' DT B 25 -9.567 26.732 149.216 1.00 80.96 C ATOM 2044 C1' DT B 25 -8.918 25.469 148.663 1.00 78.60 C ATOM 2045 N1 DT B 25 -9.145 25.254 147.211 1.00 76.74 N ATOM 2046 C2 DT B 25 -8.142 25.566 146.324 1.00 79.76 C ATOM 2047 O2 DT B 25 -7.066 26.016 146.666 1.00 89.41 O ATOM 2048 N3 DT B 25 -8.446 25.332 145.009 1.00 76.20 N ATOM 2049 C4 DT B 25 -9.626 24.825 144.503 1.00 77.90 C ATOM 2050 O4 DT B 25 -9.806 24.651 143.303 1.00 89.96 O ATOM 2051 C5 DT B 25 -10.633 24.520 145.484 1.00 80.03 C ATOM 2052 C7 DT B 25 -11.956 23.966 145.051 1.00 71.17 C ATOM 2053 C6 DT B 25 -10.350 24.744 146.773 1.00 83.38 C ATOM 2054 P DG B 26 -8.856 28.055 152.477 1.00 86.61 P ATOM 2055 OP1 DG B 26 -8.161 27.737 153.745 1.00 95.23 O ATOM 2056 OP2 DG B 26 -10.287 28.434 152.496 1.00 83.47 O ATOM 2057 O5' DG B 26 -8.047 29.214 151.733 1.00 74.55 O ATOM 2058 C5' DG B 26 -6.634 29.120 151.673 1.00 73.45 C ATOM 2059 C4' DG B 26 -6.088 29.840 150.458 1.00 66.89 C ATOM 2060 O4' DG B 26 -4.646 29.693 150.455 1.00 75.65 O ATOM 2061 C3' DG B 26 -6.514 29.257 149.123 1.00 85.21 C ATOM 2062 O3' DG B 26 -6.170 30.166 148.094 1.00 86.49 O ATOM 2063 C2' DG B 26 -5.594 28.049 149.081 1.00 82.83 C ATOM 2064 C1' DG B 26 -4.289 28.732 149.479 1.00 86.16 C ATOM 2065 N9 DG B 26 -3.278 27.847 150.048 1.00 87.63 N ATOM 2066 C8 DG B 26 -2.952 27.721 151.376 1.00 78.91 C ATOM 2067 N7 DG B 26 -2.002 26.856 151.592 1.00 87.10 N ATOM 2068 C5 DG B 26 -1.675 26.379 150.329 1.00 77.99 C ATOM 2069 C6 DG B 26 -0.711 25.420 149.942 1.00 68.45 C ATOM 2070 O6 DG B 26 0.072 24.779 150.659 1.00 69.84 O ATOM 2071 N1 DG B 26 -0.707 25.232 148.562 1.00 82.40 N ATOM 2072 C2 DG B 26 -1.529 25.887 147.675 1.00 70.31 C ATOM 2073 N2 DG B 26 -1.371 25.565 146.384 1.00 66.75 N ATOM 2074 N3 DG B 26 -2.438 26.789 148.025 1.00 69.54 N ATOM 2075 C4 DG B 26 -2.453 26.982 149.366 1.00 86.52 C ATOM 2076 P DC B 27 -7.310 30.995 147.323 1.00 79.05 P ATOM 2077 OP1 DC B 27 -6.815 32.379 147.158 1.00 90.14 O ATOM 2078 OP2 DC B 27 -8.602 30.741 147.999 1.00 68.29 O ATOM 2079 O5' DC B 27 -7.349 30.331 145.872 1.00 87.56 O ATOM 2080 C5' DC B 27 -7.864 29.022 145.710 1.00 85.26 C ATOM 2081 C4' DC B 27 -8.102 28.747 144.241 1.00 81.66 C ATOM 2082 O4' DC B 27 -9.160 27.768 144.109 1.00 83.39 O ATOM 2083 C3' DC B 27 -8.580 29.957 143.454 1.00 85.15 C ATOM 2084 O3' DC B 27 -8.190 29.833 142.091 1.00 92.46 O ATOM 2085 C2' DC B 27 -10.092 29.892 143.642 1.00 75.30 C ATOM 2086 C1' DC B 27 -10.354 28.389 143.673 1.00 76.33 C ATOM 2087 N1 DC B 27 -11.439 27.985 144.607 1.00 75.88 N ATOM 2088 C2 DC B 27 -12.582 27.357 144.106 1.00 85.68 C ATOM 2089 O2 DC B 27 -12.672 27.152 142.890 1.00 82.52 O ATOM 2090 N3 DC B 27 -13.562 26.988 144.967 1.00 81.25 N ATOM 2091 C4 DC B 27 -13.427 27.228 146.271 1.00 66.83 C ATOM 2092 N4 DC B 27 -14.417 26.848 147.083 1.00 67.07 N ATOM 2093 C5 DC B 27 -12.270 27.866 146.804 1.00 69.58 C ATOM 2094 C6 DC B 27 -11.310 28.223 145.944 1.00 71.24 C ATOM 2095 P DG B 28 -7.774 31.133 141.256 1.00 68.55 P ATOM 2096 OP1 DG B 28 -6.917 30.700 140.124 1.00 84.93 O ATOM 2097 OP2 DG B 28 -7.270 32.153 142.211 1.00 90.38 O ATOM 2098 O5' DG B 28 -9.163 31.641 140.664 1.00 76.85 O ATOM 2099 C5' DG B 28 -9.868 30.875 139.669 1.00 87.36 C ATOM 2100 C4' DG B 28 -11.137 31.588 139.264 1.00 86.56 C ATOM 2101 O4' DG B 28 -12.222 31.163 140.123 1.00 98.87 O ATOM 2102 C3' DG B 28 -11.080 33.110 139.385 1.00 98.01 C ATOM 2103 O3' DG B 28 -11.860 33.720 138.352 1.00109.95 O ATOM 2104 C2' DG B 28 -11.699 33.371 140.745 1.00 90.52 C ATOM 2105 C1' DG B 28 -12.744 32.272 140.842 1.00 90.02 C ATOM 2106 N9 DG B 28 -13.023 31.829 142.204 1.00 79.99 N ATOM 2107 C8 DG B 28 -12.326 32.161 143.341 1.00 81.80 C ATOM 2108 N7 DG B 28 -12.812 31.609 144.419 1.00 81.72 N ATOM 2109 C5 DG B 28 -13.896 30.869 143.967 1.00 79.53 C ATOM 2110 C6 DG B 28 -14.814 30.054 144.680 1.00 70.55 C ATOM 2111 O6 DG B 28 -14.854 29.817 145.893 1.00 80.44 O ATOM 2112 N1 DG B 28 -15.759 29.487 143.831 1.00 78.64 N ATOM 2113 C2 DG B 28 -15.815 29.676 142.472 1.00 77.85 C ATOM 2114 N2 DG B 28 -16.804 29.041 141.827 1.00 67.33 N ATOM 2115 N3 DG B 28 -14.966 30.433 141.796 1.00 81.31 N ATOM 2116 C4 DG B 28 -14.039 30.994 142.602 1.00 84.67 C ATOM 2117 P DC B 29 -11.804 33.144 136.860 1.00106.93 P ATOM 2118 OP1 DC B 29 -12.780 32.029 136.759 1.00115.26 O ATOM 2119 OP2 DC B 29 -10.381 32.908 136.509 1.00 76.69 O ATOM 2120 O5' DC B 29 -12.344 34.359 135.984 0.00 91.53 O ATOM 2121 C5' DC B 29 -13.033 34.126 134.741 0.00 89.26 C ATOM 2122 C4' DC B 29 -14.280 34.977 134.667 0.00 85.28 C ATOM 2123 O4' DC B 29 -15.419 34.200 135.108 0.00 85.11 O ATOM 2124 C3' DC B 29 -14.257 36.222 135.553 0.00 82.30 C ATOM 2125 O3' DC B 29 -14.964 37.294 134.920 0.00 78.97 O ATOM 2126 C2' DC B 29 -14.984 35.769 136.805 0.00 82.26 C ATOM 2127 C1' DC B 29 -16.015 34.802 136.249 0.00 82.95 C ATOM 2128 N1 DC B 29 -16.396 33.728 137.177 0.00 83.16 N ATOM 2129 C2 DC B 29 -17.685 33.195 137.098 0.00 82.09 C ATOM 2130 O2 DC B 29 -18.468 33.644 136.248 0.00 80.86 O ATOM 2131 N3 DC B 29 -18.045 32.205 137.948 0.00 82.16 N ATOM 2132 C4 DC B 29 -17.171 31.750 138.849 0.00 82.30 C ATOM 2133 N4 DC B 29 -17.568 30.773 139.668 0.00 81.99 N ATOM 2134 C5 DC B 29 -15.850 32.276 138.951 0.00 83.66 C ATOM 2135 C6 DC B 29 -15.508 33.254 138.103 0.00 84.50 C TER 2136 DC B 29 HETATM 2137 NI NI A 201 -3.628 28.400 136.805 0.99 67.62 NI HETATM 2138 CA CA A 202 9.115 30.063 131.585 1.00100.70 CA HETATM 2139 CA CA A 203 2.601 32.954 150.644 1.00 95.23 CA HETATM 2140 CA CA A 204 -22.141 24.713 128.659 1.00115.06 CA HETATM 2141 CA CA A 205 -6.152 26.733 141.127 1.00102.34 CA HETATM 2142 CL CL A 206 -7.266 29.432 135.484 1.00 94.86 CL HETATM 2143 CA CA B 101 -16.526 14.425 106.630 1.00124.94 CA HETATM 2144 CA CA B 102 -16.315 7.690 134.513 1.00 98.79 CA HETATM 2145 CA CA B 103 -8.111 7.264 99.386 1.00104.00 CA HETATM 2146 CA CA B 104 -26.898 4.743 94.812 1.00107.66 CA HETATM 2147 O HOH A 301 6.181 29.415 128.387 1.00 64.69 O HETATM 2148 O HOH A 302 -10.720 1.060 117.288 1.00 68.77 O HETATM 2149 O HOH A 303 -4.936 35.606 122.043 1.00 74.37 O HETATM 2150 O HOH A 304 10.859 14.877 128.392 1.00 70.96 O HETATM 2151 O HOH A 305 -1.481 12.736 111.097 1.00 70.87 O HETATM 2152 O HOH A 306 6.805 29.495 148.815 1.00 75.26 O HETATM 2153 O HOH A 307 -2.779 -0.595 125.648 1.00 60.53 O HETATM 2154 O HOH A 308 2.047 5.762 144.987 1.00 40.58 O HETATM 2155 O HOH A 309 -5.299 28.488 137.833 1.00 71.29 O HETATM 2156 O HOH A 310 -4.189 29.111 135.055 0.65 73.56 O HETATM 2157 O HOH A 311 -6.471 11.003 129.637 1.00 66.96 O HETATM 2158 O HOH A 312 -5.562 5.415 123.323 1.00 61.33 O HETATM 2159 O HOH A 313 -1.765 19.583 146.787 1.00 70.57 O HETATM 2160 O HOH A 314 -0.174 21.857 148.634 1.00 59.51 O HETATM 2161 O HOH A 315 7.687 25.938 116.404 1.00 75.85 O HETATM 2162 O HOH B 201 -20.838 14.732 105.764 1.00 71.61 O HETATM 2163 O HOH B 202 -11.704 12.536 120.221 1.00 62.33 O HETATM 2164 O HOH B 203 -17.545 16.633 105.731 1.00 79.05 O HETATM 2165 O HOH B 204 -6.772 25.626 143.322 1.00 81.54 O CONECT 3 6 CONECT 6 3 7 CONECT 7 6 8 10 CONECT 8 7 9 14 CONECT 9 8 CONECT 10 7 11 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 CONECT 14 8 CONECT 902 904 CONECT 904 902 905 CONECT 905 904 906 908 CONECT 906 905 907 912 CONECT 907 906 CONECT 908 905 909 CONECT 909 908 910 CONECT 910 909 911 CONECT 911 910 CONECT 912 906 CONECT 965 2137 CONECT 1036 2137 CONECT 1051 2137 CONECT 1704 2143 CONECT 1740 2143 CONECT 2137 965 1036 1051 2155 CONECT 2137 2156 CONECT 2141 2165 CONECT 2143 1704 1740 2164 CONECT 2155 2137 CONECT 2156 2137 CONECT 2164 2143 CONECT 2165 2141 MASTER 374 0 12 6 9 0 8 6 2163 2 33 18 END
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Related entries of code: 4ht4
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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Ligand Name
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Entry Information
PDB ID
4ht4
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Nicking enzyme NES
Ligand Name
28-mer oriT DNA hairpin
EC.Number
E.C.-.-.-.-
Resolution
2.91(Å)
Affinity (Kd/Ki/IC50)
Kd=8nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 2804-2809
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q53632
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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