Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 07-NOV-97 6GAT TITLE SOLUTION NMR STRUCTURE OF THE L22V MUTANT DNA BINDING TITLE 2 DOMAIN OF AREA COMPLEXED TO A 13 BP DNA CONTAINING A TGATA TITLE 3 SITE, REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*CP*AP*GP*TP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'); COMPND 4 CHAIN: B; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'- COMPND 8 D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*AP*CP*TP*G)-3'); COMPND 9 CHAIN: C; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: NITROGEN REGULATORY PROTEIN AREA; COMPND 13 CHAIN: A; COMPND 14 FRAGMENT: DNA BINDING DOMAIN; COMPND 15 ENGINEERED: YES; COMPND 16 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; SOURCE 7 ORGANISM_TAXID: 162425; SOURCE 8 GENE: POTENTIAL; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS DNA BINDING PROTEIN, TRANSCRIPTION FACTOR, ZINC BINDING KEYWDS 2 DOMAIN, COMPLEX (TRANSCRIPTION REGULATION/DNA), KEYWDS 3 TRANSCRIPTION/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.STARICH,M.WIKSTROM,A.M.GRONENBORN REVDAT 3 24-FEB-09 6GAT 1 VERSN REVDAT 2 01-APR-03 6GAT 1 JRNL REVDAT 1 28-JAN-98 6GAT 0 JRNL AUTH M.R.STARICH,M.WIKSTROM,S.SCHUMACHER,H.N.ARST JR., JRNL AUTH 2 A.M.GRONENBORN,G.M.CLORE JRNL TITL THE SOLUTION STRUCTURE OF THE LEU22-->VAL MUTANT JRNL TITL 2 AREA DNA BINDING DOMAIN COMPLEXED WITH A TGATAG JRNL TITL 3 CORE ELEMENT DEFINES A ROLE FOR HYDROPHOBIC JRNL TITL 4 PACKING IN THE DETERMINATION OF SPECIFICITY. JRNL REF J.MOL.BIOL. V. 277 621 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9533884 JRNL DOI 10.1006/JMBI.1997.1626 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129 - 136 AND PROTEIN ENGINEERING 2, 27 - 38 USING REMARK 3 THE PROGRAM X-PLOR MODIFIED TO INCORPORATE COUPLING REMARK 3 CONSTANT RESTRAINTS (GARRETT ET AL. (1994) J. MAGN RESON. REMARK 3 SERIES B 104, 99 - 103), CARBON CHEMICAL SHIFT RESTRAINTS REMARK 3 (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. SERIES B 106, 92 REMARK 3 - 96) RESTRAINTS, DIPOLAR COUPLING RESTRAINTS (TJANDRA ET REMARK 3 AL. (1997) NATURE STRUCT BIOL 4, 732-738) AND A REMARK 3 CONFORMATIONAL DATABASE POTENTIAL FOR PROTEINS AND NUCLEIC REMARK 3 ACIDS (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, 1067 - 1080 REMARK 3 AND (1997) J. MAGN. RESON. 125, 171-177) REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE COMPLEX OF THE LEU22VAL AREA REMARK 3 DBD-DNA COMPLEX WAS SOLVED BY MULTI-DIMENSIONAL REMARK 3 HETERONUCLEAR-EDITED AND -FILTERED NMR IS BASED ON THE REMARK 3 FOLLOWING 1128 EXPERIMENTAL RESTRAINTS REMARK 3 REMARK 3 (A) PROTEIN: 131 SEQUENTIAL (|I-J|=1), 63 SHORT RANGE (1 REMARK 3 < |I-J| >=5), 67 LONG RANGE (|I-J|>5), AND 38 INTRARESIDUE REMARK 3 APPROXIMATE INTERPROTON DISTANCE RESTRAINTS; NULL 120 REMARK 3 TORSION ANGLE RESTRAINTS (53 PHI, 13 PSI, 39 CHI1, 14 REMARK 3 CHI2, AND 1 CHI3), 39 THREE-BOND HN-HA COUPLING CONSTANT REMARK 3 RESTRAINTS; NULL 75 (41 CALPHA AND 34 CBETA) 13C CHEMICAL REMARK 3 SHIFT RESTRAINTS; NULL 49 RESIDUAL N-H DIPOLAR COUPLING REMARK 3 RESTRAINTS; 20 DISTANCE RESTRAINTS FOR 10 BACKBONE REMARK 3 HYDROGEN BONDS. REMARK 3 REMARK 3 (B) DNA: 75 INTRARESIDUE, 124 SEQUENTIAL INTRASTRAND AND REMARK 3 22 INTERSTRAND INTERPROTON DISTANCE RESTRAINTS; 63 REMARK 3 DISTANCES FOR WATSON-CRICK BASE PAIR HYDROGEN BONDS; 170 REMARK 3 TORSION ANGLE RESTRAINTS FOR THE DNA BACKBONE COVERING REMARK 3 VALUES CHARACTERISTIC OF BOTH A AND B DNA. REMARK 3 REMARK 3 (C) 58 INTERMOLECULAR INTERPROTON DISTANCE RESTRAINTS REMARK 3 REMARK 3 (D) 2 INTERMOLECULAR DISTANCE RESTRAINTS TO PHOSPHATES REMARK 3 REMARK 3 (E) 8 'REPULSIVE' RESTRAINTS REMARK 3 REMARK 3 (F) 4 DISTANCE RESTRAINTS FOR 2 INTERMOLECULAR H-BONDS REMARK 3 BETWEEN ARG 24 AND BASE OF GUA5. REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE AND THE LAST NUMERIC COLUMN REPRESENTS THE REMARK 3 RMS OF THE 34 INDIVIDUAL SIMULATED ANNEALING STRUCTURES REMARK 3 FOUND IN PDB ENTRY 8GAT ABOUT THE MEAN COORDINATE REMARK 3 POSITIONS. THE LAST NUMERIC COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. REMARK 3 REMARK 3 THE FOLLOWING TWO SETS OF COORDINATES DEFINE THE PRINCIPAL REMARK 3 AXIS OF THE MAGNETIC SUSCEPTIBILITY TENSOR: REMARK 3 POINT 1 84.440-108.009-106.934 REMARK 3 POINT 2 85.210-106.770-106.473 REMARK 4 REMARK 4 6GAT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 360 MHZ, 600 MHZ, 500 MHZ, REMARK 210 750 MHZ REMARK 210 SPECTROMETER MODEL : AMX500, DMX500, AMX600, REMARK 210 DMX600, DMX750, AM360 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR MODIFIED MODIFIED REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 34 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: DATA WERE RECORDED ON A 1:1 COMPLEX REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O MET A 1 N ASN A 3 2.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DT C 117 C5 DT C 117 C7 0.036 REMARK 500 DT C 121 C5 DT C 121 C7 0.037 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 DA B 102 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 102 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG B 103 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 104 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG B 105 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 106 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 106 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DT B 107 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 108 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 108 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG B 109 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DA B 110 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 110 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG B 111 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 112 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 112 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DC B 113 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 114 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT C 115 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC C 116 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 117 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC C 118 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 119 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA C 120 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA C 120 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DT C 121 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 122 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DA C 123 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA C 123 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DC C 124 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT C 125 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 126 O4' - C1' - N9 ANGL. DEV. = 2.2 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 2 -38.12 49.97 REMARK 500 ASN A 3 136.57 66.19 REMARK 500 GLU A 5 -94.18 52.19 REMARK 500 ASN A 7 93.06 -14.51 REMARK 500 PRO A 9 110.91 -20.85 REMARK 500 THR A 10 95.34 -52.32 REMARK 500 PHE A 16 0.05 59.36 REMARK 500 PRO A 27 -1.23 -44.78 REMARK 500 VAL A 46 156.17 -48.79 REMARK 500 PRO A 48 96.35 -49.05 REMARK 500 LYS A 52 155.33 -43.93 REMARK 500 ASN A 60 -168.00 -73.38 REMARK 500 SER A 63 87.04 -55.08 REMARK 500 ALA A 64 -138.90 -61.31 REMARK 500 ASN A 65 -160.01 68.63 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 ZN A 67 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 12 SG REMARK 620 2 CYS A 15 SG 107.8 REMARK 620 3 CYS A 33 SG 109.5 111.2 REMARK 620 4 CYS A 36 SG 109.2 110.0 109.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 67 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 7GAT RELATED DB: PDB REMARK 900 ENSEMBLE OF 34 STRUCTURES DBREF 6GAT A 1 66 UNP P17429 AREA_EMENI 662 727 DBREF 6GAT B 101 113 PDB 6GAT 6GAT 101 113 DBREF 6GAT C 114 126 PDB 6GAT 6GAT 114 126 SEQADV 6GAT MET A 1 UNP P17429 THR 662 CONFLICT SEQADV 6GAT VAL A 22 UNP P17429 LEU 683 ENGINEERED SEQRES 1 B 13 DC DA DG DT DG DA DT DA DG DA DG DA DC SEQRES 1 C 13 DG DT DC DT DC DT DA DT DC DA DC DT DG SEQRES 1 A 66 MET LYS ASN GLY GLU GLN ASN GLY PRO THR THR CYS THR SEQRES 2 A 66 ASN CYS PHE THR GLN THR THR PRO VAL TRP ARG ARG ASN SEQRES 3 A 66 PRO GLU GLY GLN PRO LEU CYS ASN ALA CYS GLY LEU PHE SEQRES 4 A 66 LEU LYS LEU HIS GLY VAL VAL ARG PRO LEU SER LEU LYS SEQRES 5 A 66 THR ASP VAL ILE LYS LYS ARG ASN ARG ASN SER ALA ASN SEQRES 6 A 66 SER HET ZN A 67 1 HETNAM ZN ZINC ION FORMUL 4 ZN ZN 2+ HELIX 1 1 ASN A 34 HIS A 43 1 10 HELIX 2 2 LEU A 49 LEU A 51 5 3 SHEET 1 A 2 ARG A 24 ARG A 25 0 SHEET 2 A 2 PRO A 31 LEU A 32 -1 O LEU A 32 N ARG A 24 LINK ZN ZN A 67 SG CYS A 12 1555 1555 2.27 LINK ZN ZN A 67 SG CYS A 15 1555 1555 2.30 LINK ZN ZN A 67 SG CYS A 33 1555 1555 2.31 LINK ZN ZN A 67 SG CYS A 36 1555 1555 2.28 SITE 1 AC1 4 CYS A 12 CYS A 15 CYS A 33 CYS A 36 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 O5' DC B 101 9.872 21.337 12.125 1.00 1.24 O ATOM 2 C5' DC B 101 11.036 21.602 12.913 1.00 1.25 C ATOM 3 C4' DC B 101 10.729 21.524 14.411 1.00 1.11 C ATOM 4 O4' DC B 101 9.851 22.604 14.796 1.00 1.08 O ATOM 5 C3' DC B 101 10.059 20.198 14.796 1.00 1.00 C ATOM 6 O3' DC B 101 10.842 19.503 15.770 1.00 0.98 O ATOM 7 C2' DC B 101 8.707 20.572 15.367 1.00 0.88 C ATOM 8 C1' DC B 101 8.614 22.095 15.337 1.00 0.93 C ATOM 9 N1 DC B 101 7.469 22.532 14.493 1.00 0.91 N ATOM 10 C2 DC B 101 6.463 23.299 15.088 1.00 0.86 C ATOM 11 O2 DC B 101 6.528 23.582 16.282 1.00 0.85 O ATOM 12 N3 DC B 101 5.423 23.711 14.301 1.00 0.86 N ATOM 13 C4 DC B 101 5.364 23.391 12.991 1.00 0.91 C ATOM 14 N4 DC B 101 4.332 23.817 12.262 1.00 0.93 N ATOM 15 C5 DC B 101 6.393 22.602 12.373 1.00 0.97 C ATOM 16 C6 DC B 101 7.421 22.196 13.159 1.00 0.97 C ATOM 17 H5' DC B 101 11.405 22.600 12.677 1.00 1.33 H ATOM 18 H5'' DC B 101 11.806 20.871 12.668 1.00 1.30 H ATOM 19 H4' DC B 101 11.663 21.618 14.965 1.00 1.13 H ATOM 20 H3' DC B 101 9.929 19.559 13.917 1.00 1.05 H ATOM 21 H2' DC B 101 7.905 20.140 14.763 1.00 0.86 H ATOM 22 H2'' DC B 101 8.630 20.207 16.394 1.00 0.80 H ATOM 23 H1' DC B 101 8.496 22.473 16.359 1.00 0.90 H ATOM 24 H41 DC B 101 3.605 24.372 12.690 1.00 0.90 H ATOM 25 H42 DC B 101 4.277 23.584 11.280 1.00 0.99 H ATOM 26 H5 DC B 101 6.350 22.340 11.315 1.00 1.03 H ATOM 27 H6 DC B 101 8.219 21.592 12.729 1.00 1.02 H ATOM 28 HO5' DC B 101 10.173 21.055 11.258 1.00 1.31 H ATOM 29 P DA B 102 10.417 18.029 16.261 1.00 0.92 P ATOM 30 OP1 DA B 102 11.595 17.394 16.892 1.00 0.98 O ATOM 31 OP2 DA B 102 9.722 17.351 15.144 1.00 0.94 O ATOM 32 O5' DA B 102 9.335 18.341 17.413 1.00 0.79 O ATOM 33 C5' DA B 102 9.722 19.029 18.605 1.00 0.77 C ATOM 34 C4' DA B 102 8.561 19.130 19.601 1.00 0.67 C ATOM 35 O4' DA B 102 7.555 20.044 19.109 1.00 0.64 O ATOM 36 C3' DA B 102 7.895 17.770 19.851 1.00 0.64 C ATOM 37 O3' DA B 102 7.993 17.409 21.232 1.00 0.64 O ATOM 38 C2' DA B 102 6.446 17.942 19.446 1.00 0.56 C ATOM 39 C1' DA B 102 6.264 19.402 19.047 1.00 0.56 C ATOM 40 N9 DA B 102 5.700 19.505 17.687 1.00 0.56 N ATOM 41 C8 DA B 102 6.199 19.020 16.510 1.00 0.60 C ATOM 42 N7 DA B 102 5.493 19.297 15.452 1.00 0.62 N ATOM 43 C5 DA B 102 4.428 20.030 15.970 1.00 0.57 C ATOM 44 C6 DA B 102 3.295 20.639 15.384 1.00 0.57 C ATOM 45 N6 DA B 102 3.049 20.598 14.074 1.00 0.62 N ATOM 46 N1 DA B 102 2.423 21.293 16.202 1.00 0.55 N ATOM 47 C2 DA B 102 2.646 21.349 17.526 1.00 0.53 C ATOM 48 N3 DA B 102 3.687 20.809 18.178 1.00 0.52 N ATOM 49 C4 DA B 102 4.544 20.160 17.334 1.00 0.53 C ATOM 50 H5' DA B 102 10.055 20.034 18.344 1.00 0.80 H ATOM 51 H5'' DA B 102 10.546 18.492 19.074 1.00 0.82 H ATOM 52 H4' DA B 102 8.946 19.510 20.547 1.00 0.69 H ATOM 53 H3' DA B 102 8.363 16.990 19.242 1.00 0.71 H ATOM 54 H2' DA B 102 6.209 17.296 18.597 1.00 0.59 H ATOM 55 H2'' DA B 102 5.798 17.696 20.289 1.00 0.53 H ATOM 56 H1' DA B 102 5.589 19.895 19.751 1.00 0.54 H ATOM 57 H8 DA B 102 7.111 18.427 16.465 1.00 0.64 H ATOM 58 H61 DA B 102 2.225 21.048 13.701 1.00 0.63 H ATOM 59 H62 DA B 102 3.685 20.116 13.456 1.00 0.66 H ATOM 60 H2 DA B 102 1.912 21.886 18.127 1.00 0.54 H ATOM 61 P DG B 103 7.337 16.040 21.768 1.00 0.65 P ATOM 62 OP1 DG B 103 7.933 15.727 23.087 1.00 0.71 O ATOM 63 OP2 DG B 103 7.393 15.041 20.678 1.00 0.69 O ATOM 64 O5' DG B 103 5.797 16.452 21.996 1.00 0.57 O ATOM 65 C5' DG B 103 5.439 17.398 23.007 1.00 0.56 C ATOM 66 C4' DG B 103 3.918 17.531 23.141 1.00 0.50 C ATOM 67 O4' DG B 103 3.362 18.124 21.944 1.00 0.44 O ATOM 68 C3' DG B 103 3.236 16.174 23.363 1.00 0.52 C ATOM 69 O3' DG B 103 2.427 16.208 24.545 1.00 0.54 O ATOM 70 C2' DG B 103 2.382 15.947 22.134 1.00 0.46 C ATOM 71 C1' DG B 103 2.351 17.266 21.375 1.00 0.42 C ATOM 72 N9 DG B 103 2.586 17.058 19.930 1.00 0.41 N ATOM 73 C8 DG B 103 3.602 16.389 19.301 1.00 0.44 C ATOM 74 N7 DG B 103 3.545 16.386 18.001 1.00 0.45 N ATOM 75 C5 DG B 103 2.390 17.116 17.733 1.00 0.41 C ATOM 76 C6 DG B 103 1.782 17.465 16.481 1.00 0.43 C ATOM 77 O6 DG B 103 2.167 17.185 15.349 1.00 0.47 O ATOM 78 N1 DG B 103 0.608 18.220 16.654 1.00 0.40 N ATOM 79 C2 DG B 103 0.077 18.597 17.882 1.00 0.38 C ATOM 80 N2 DG B 103 -1.046 19.314 17.854 1.00 0.39 N ATOM 81 N3 DG B 103 0.649 18.268 19.059 1.00 0.37 N ATOM 82 C4 DG B 103 1.794 17.533 18.911 1.00 0.39 C ATOM 83 H5' DG B 103 5.860 18.370 22.750 1.00 0.55 H ATOM 84 H5'' DG B 103 5.853 17.073 23.962 1.00 0.61 H ATOM 85 H4' DG B 103 3.696 18.179 23.989 1.00 0.53 H ATOM 86 H3' DG B 103 3.978 15.375 23.457 1.00 0.57 H ATOM 87 H2' DG B 103 2.822 15.173 21.506 1.00 0.48 H ATOM 88 H2'' DG B 103 1.373 15.655 22.428 1.00 0.46 H ATOM 89 H1' DG B 103 1.375 17.735 21.510 1.00 0.40 H ATOM 90 H8 DG B 103 4.398 15.886 19.851 1.00 0.48 H ATOM 91 H1 DG B 103 0.130 18.498 15.809 1.00 0.43 H ATOM 92 H21 DG B 103 -1.468 19.557 16.969 1.00 0.42 H ATOM 93 H22 DG B 103 -1.474 19.616 18.718 1.00 0.40 H ATOM 94 P DT B 104 1.554 14.927 24.988 1.00 0.58 P ATOM 95 OP1 DT B 104 1.453 14.925 26.465 1.00 0.68 O ATOM 96 OP2 DT B 104 2.085 13.738 24.283 1.00 0.61 O ATOM 97 O5' DT B 104 0.099 15.265 24.383 1.00 0.49 O ATOM 98 C5' DT B 104 -0.634 16.401 24.852 1.00 0.48 C ATOM 99 C4' DT B 104 -1.987 16.543 24.144 1.00 0.41 C ATOM 100 O4' DT B 104 -1.795 16.776 22.732 1.00 0.35 O ATOM 101 C3' DT B 104 -2.867 15.296 24.309 1.00 0.40 C ATOM 102 O3' DT B 104 -4.036 15.602 25.075 1.00 0.42 O ATOM 103 C2' DT B 104 -3.251 14.876 22.904 1.00 0.33 C ATOM 104 C1' DT B 104 -2.634 15.898 21.951 1.00 0.31 C ATOM 105 N1 DT B 104 -1.834 15.225 20.890 1.00 0.29 N ATOM 106 C2 DT B 104 -2.195 15.442 19.559 1.00 0.29 C ATOM 107 O2 DT B 104 -3.153 16.144 19.244 1.00 0.31 O ATOM 108 N3 DT B 104 -1.403 14.812 18.611 1.00 0.31 N ATOM 109 C4 DT B 104 -0.304 13.998 18.865 1.00 0.32 C ATOM 110 O4 DT B 104 0.326 13.495 17.937 1.00 0.35 O ATOM 111 C5 DT B 104 -0.001 13.824 20.272 1.00 0.32 C ATOM 112 C7 DT B 104 1.174 12.940 20.679 1.00 0.37 C ATOM 113 C6 DT B 104 -0.756 14.429 21.223 1.00 0.31 C ATOM 114 H5' DT B 104 -0.044 17.301 24.673 1.00 0.48 H ATOM 115 H5'' DT B 104 -0.804 16.296 25.923 1.00 0.56 H ATOM 116 H4' DT B 104 -2.512 17.398 24.569 1.00 0.45 H ATOM 117 H3' DT B 104 -2.311 14.492 24.801 1.00 0.44 H ATOM 118 H2' DT B 104 -2.863 13.880 22.685 1.00 0.34 H ATOM 119 H2'' DT B 104 -4.339 14.875 22.806 1.00 0.32 H ATOM 120 H1' DT B 104 -3.432 16.496 21.497 1.00 0.31 H ATOM 121 H3 DT B 104 -1.645 14.958 17.645 1.00 0.33 H ATOM 122 H71 DT B 104 1.977 13.058 19.953 1.00 1.11 H ATOM 123 H72 DT B 104 0.854 11.898 20.699 1.00 1.04 H ATOM 124 H73 DT B 104 1.530 13.230 21.668 1.00 1.12 H ATOM 125 H6 DT B 104 -0.507 14.281 22.273 1.00 0.34 H ATOM 126 P DG B 105 -5.117 14.457 25.410 1.00 0.43 P ATOM 127 OP1 DG B 105 -5.980 14.944 26.509 1.00 0.50 O ATOM 128 OP2 DG B 105 -4.400 13.170 25.551 1.00 0.45 O ATOM 129 O5' DG B 105 -6.001 14.397 24.063 1.00 0.36 O ATOM 130 C5' DG B 105 -6.865 15.482 23.710 1.00 0.36 C ATOM 131 C4' DG B 105 -7.779 15.119 22.534 1.00 0.32 C ATOM 132 O4' DG B 105 -6.988 14.851 21.351 1.00 0.28 O ATOM 133 C3' DG B 105 -8.631 13.876 22.825 1.00 0.32 C ATOM 134 O3' DG B 105 -10.014 14.142 22.535 1.00 0.35 O ATOM 135 C2' DG B 105 -8.085 12.799 21.913 1.00 0.29 C ATOM 136 C1' DG B 105 -7.196 13.496 20.896 1.00 0.26 C ATOM 137 N9 DG B 105 -5.910 12.791 20.738 1.00 0.24 N ATOM 138 C8 DG B 105 -4.994 12.442 21.690 1.00 0.25 C ATOM 139 N7 DG B 105 -3.931 11.835 21.243 1.00 0.24 N ATOM 140 C5 DG B 105 -4.158 11.769 19.871 1.00 0.23 C ATOM 141 C6 DG B 105 -3.354 11.213 18.821 1.00 0.23 C ATOM 142 O6 DG B 105 -2.262 10.657 18.917 1.00 0.24 O ATOM 143 N1 DG B 105 -3.957 11.356 17.558 1.00 0.24 N ATOM 144 C2 DG B 105 -5.186 11.961 17.327 1.00 0.25 C ATOM 145 N2 DG B 105 -5.600 12.012 16.061 1.00 0.28 N ATOM 146 N3 DG B 105 -5.942 12.484 18.314 1.00 0.24 N ATOM 147 C4 DG B 105 -5.372 12.354 19.551 1.00 0.23 C ATOM 148 H5' DG B 105 -6.257 16.344 23.436 1.00 0.36 H ATOM 149 H5'' DG B 105 -7.481 15.741 24.572 1.00 0.41 H ATOM 150 H4' DG B 105 -8.441 15.960 22.331 1.00 0.36 H ATOM 151 H3' DG B 105 -8.532 13.570 23.871 1.00 0.35 H ATOM 152 H2' DG B 105 -7.497 12.078 22.485 1.00 0.30 H ATOM 153 H2'' DG B 105 -8.898 12.292 21.408 1.00 0.29 H ATOM 154 H1' DG B 105 -7.708 13.519 19.931 1.00 0.26 H ATOM 155 H8 DG B 105 -5.149 12.643 22.749 1.00 0.27 H ATOM 156 H1 DG B 105 -3.442 10.981 16.774 1.00 0.26 H ATOM 157 H21 DG B 105 -5.029 11.619 15.326 1.00 0.30 H ATOM 158 H22 DG B 105 -6.484 12.445 15.836 1.00 0.29 H ATOM 159 P DA B 106 -11.125 12.969 22.578 1.00 0.37 P ATOM 160 OP1 DA B 106 -12.458 13.599 22.705 1.00 0.41 O ATOM 161 OP2 DA B 106 -10.691 11.956 23.566 1.00 0.38 O ATOM 162 O5' DA B 106 -11.010 12.320 21.102 1.00 0.34 O ATOM 163 C5' DA B 106 -11.224 13.126 19.937 1.00 0.34 C ATOM 164 C4' DA B 106 -11.191 12.303 18.639 1.00 0.32 C ATOM 165 O4' DA B 106 -9.827 11.989 18.270 1.00 0.28 O ATOM 166 C3' DA B 106 -11.969 10.985 18.757 1.00 0.34 C ATOM 167 O3' DA B 106 -13.119 10.994 17.905 1.00 0.38 O ATOM 168 C2' DA B 106 -11.000 9.900 18.324 1.00 0.30 C ATOM 169 C1' DA B 106 -9.698 10.589 17.934 1.00 0.27 C ATOM 170 N9 DA B 106 -8.554 9.980 18.644 1.00 0.25 N ATOM 171 C8 DA B 106 -8.357 9.848 19.988 1.00 0.26 C ATOM 172 N7 DA B 106 -7.240 9.282 20.335 1.00 0.25 N ATOM 173 C5 DA B 106 -6.637 9.007 19.113 1.00 0.23 C ATOM 174 C6 DA B 106 -5.413 8.400 18.757 1.00 0.23 C ATOM 175 N6 DA B 106 -4.542 7.949 19.660 1.00 0.25 N ATOM 176 N1 DA B 106 -5.119 8.276 17.434 1.00 0.24 N ATOM 177 C2 DA B 106 -5.977 8.724 16.504 1.00 0.24 C ATOM 178 N3 DA B 106 -7.162 9.316 16.734 1.00 0.24 N ATOM 179 C4 DA B 106 -7.431 9.426 18.070 1.00 0.24 C ATOM 180 H5' DA B 106 -10.450 13.891 19.890 1.00 0.32 H ATOM 181 H5'' DA B 106 -12.196 13.612 20.021 1.00 0.37 H ATOM 182 H4' DA B 106 -11.638 12.898 17.842 1.00 0.34 H ATOM 183 H3' DA B 106 -12.285 10.814 19.790 1.00 0.37 H ATOM 184 H2' DA B 106 -10.818 9.207 19.145 1.00 0.30 H ATOM 185 H2'' DA B 106 -11.409 9.357 17.470 1.00 0.31 H ATOM 186 H1' DA B 106 -9.539 10.496 16.858 1.00 0.27 H ATOM 187 H8 DA B 106 -9.094 10.171 20.713 1.00 0.28 H ATOM 188 H61 DA B 106 -3.678 7.521 19.358 1.00 0.26 H ATOM 189 H62 DA B 106 -4.746 8.034 20.645 1.00 0.25 H ATOM 190 H2 DA B 106 -5.684 8.587 15.463 1.00 0.25 H ATOM 191 P DT B 107 -14.042 9.681 17.758 1.00 0.42 P ATOM 192 OP1 DT B 107 -15.373 10.103 17.266 1.00 0.49 O ATOM 193 OP2 DT B 107 -13.932 8.894 19.006 1.00 0.43 O ATOM 194 O5' DT B 107 -13.304 8.868 16.579 1.00 0.39 O ATOM 195 C5' DT B 107 -13.082 9.489 15.312 1.00 0.39 C ATOM 196 C4' DT B 107 -12.230 8.620 14.382 1.00 0.37 C ATOM 197 O4' DT B 107 -10.885 8.496 14.901 1.00 0.33 O ATOM 198 C3' DT B 107 -12.801 7.205 14.213 1.00 0.38 C ATOM 199 O3' DT B 107 -13.263 7.000 12.875 1.00 0.41 O ATOM 200 C2' DT B 107 -11.650 6.265 14.512 1.00 0.34 C ATOM 201 C1' DT B 107 -10.422 7.138 14.757 1.00 0.31 C ATOM 202 N1 DT B 107 -9.671 6.688 15.967 1.00 0.27 N ATOM 203 C2 DT B 107 -8.350 6.266 15.793 1.00 0.26 C ATOM 204 O2 DT B 107 -7.801 6.269 14.694 1.00 0.30 O ATOM 205 N3 DT B 107 -7.695 5.843 16.940 1.00 0.25 N ATOM 206 C4 DT B 107 -8.229 5.800 18.226 1.00 0.25 C ATOM 207 O4 DT B 107 -7.548 5.405 19.170 1.00 0.27 O ATOM 208 C5 DT B 107 -9.605 6.252 18.320 1.00 0.27 C ATOM 209 C7 DT B 107 -10.312 6.220 19.677 1.00 0.33 C ATOM 210 C6 DT B 107 -10.271 6.677 17.214 1.00 0.28 C ATOM 211 H5' DT B 107 -12.576 10.441 15.468 1.00 0.39 H ATOM 212 H5'' DT B 107 -14.046 9.674 14.836 1.00 0.44 H ATOM 213 H4' DT B 107 -12.184 9.097 13.403 1.00 0.39 H ATOM 214 H3' DT B 107 -13.623 7.030 14.915 1.00 0.40 H ATOM 215 H2' DT B 107 -11.867 5.665 15.397 1.00 0.35 H ATOM 216 H2'' DT B 107 -11.482 5.610 13.656 1.00 0.36 H ATOM 217 H1' DT B 107 -9.771 7.091 13.877 1.00 0.32 H ATOM 218 H3 DT B 107 -6.739 5.534 16.832 1.00 0.26 H ATOM 219 H71 DT B 107 -11.394 6.216 19.533 1.00 1.06 H ATOM 220 H72 DT B 107 -10.026 7.097 20.257 1.00 1.09 H ATOM 221 H73 DT B 107 -10.016 5.320 20.216 1.00 1.07 H ATOM 222 H6 DT B 107 -11.299 7.021 17.313 1.00 0.31 H ATOM 223 P DA B 108 -13.886 5.581 12.437 1.00 0.44 P ATOM 224 OP1 DA B 108 -14.727 5.794 11.237 1.00 0.49 O ATOM 225 OP2 DA B 108 -14.465 4.938 13.638 1.00 0.44 O ATOM 226 O5' DA B 108 -12.583 4.744 11.996 1.00 0.41 O ATOM 227 C5' DA B 108 -11.771 5.185 10.905 1.00 0.43 C ATOM 228 C4' DA B 108 -10.578 4.252 10.677 1.00 0.43 C ATOM 229 O4' DA B 108 -9.692 4.283 11.819 1.00 0.40 O ATOM 230 C3' DA B 108 -11.015 2.799 10.446 1.00 0.43 C ATOM 231 O3' DA B 108 -10.614 2.353 9.146 1.00 0.47 O ATOM 232 C2' DA B 108 -10.329 1.988 11.526 1.00 0.41 C ATOM 233 C1' DA B 108 -9.450 2.950 12.316 1.00 0.38 C ATOM 234 N9 DA B 108 -9.753 2.868 13.758 1.00 0.34 N ATOM 235 C8 DA B 108 -10.941 3.079 14.403 1.00 0.35 C ATOM 236 N7 DA B 108 -10.901 2.943 15.697 1.00 0.33 N ATOM 237 C5 DA B 108 -9.571 2.610 15.935 1.00 0.30 C ATOM 238 C6 DA B 108 -8.840 2.324 17.111 1.00 0.30 C ATOM 239 N6 DA B 108 -9.391 2.335 18.324 1.00 0.32 N ATOM 240 N1 DA B 108 -7.517 2.026 16.987 1.00 0.28 N ATOM 241 C2 DA B 108 -6.936 2.009 15.775 1.00 0.29 C ATOM 242 N3 DA B 108 -7.537 2.266 14.604 1.00 0.30 N ATOM 243 C4 DA B 108 -8.861 2.561 14.759 1.00 0.31 C ATOM 244 H5' DA B 108 -11.402 6.188 11.120 1.00 0.43 H ATOM 245 H5'' DA B 108 -12.377 5.215 10.000 1.00 0.47 H ATOM 246 H4' DA B 108 -10.030 4.596 9.800 1.00 0.47 H ATOM 247 H3' DA B 108 -12.101 2.701 10.539 1.00 0.43 H ATOM 248 H2' DA B 108 -11.070 1.537 12.191 1.00 0.41 H ATOM 249 H2'' DA B 108 -9.720 1.206 11.069 1.00 0.44 H ATOM 250 H1' DA B 108 -8.398 2.700 12.158 1.00 0.38 H ATOM 251 H8 DA B 108 -11.857 3.328 13.871 1.00 0.38 H ATOM 252 H61 DA B 108 -8.829 2.124 19.136 1.00 0.33 H ATOM 253 H62 DA B 108 -10.371 2.555 18.432 1.00 0.34 H ATOM 254 H2 DA B 108 -5.877 1.760 15.742 1.00 0.29 H ATOM 255 P DG B 109 -10.878 0.833 8.681 1.00 0.50 P ATOM 256 OP1 DG B 109 -10.991 0.813 7.205 1.00 0.58 O ATOM 257 OP2 DG B 109 -11.969 0.277 9.512 1.00 0.49 O ATOM 258 O5' DG B 109 -9.505 0.096 9.091 1.00 0.45 O ATOM 259 C5' DG B 109 -8.262 0.507 8.516 1.00 0.49 C ATOM 260 C4' DG B 109 -7.100 -0.376 8.986 1.00 0.46 C ATOM 261 O4' DG B 109 -6.864 -0.189 10.400 1.00 0.40 O ATOM 262 C3' DG B 109 -7.368 -1.867 8.737 1.00 0.46 C ATOM 263 O3' DG B 109 -6.409 -2.402 7.820 1.00 0.53 O ATOM 264 C2' DG B 109 -7.247 -2.539 10.089 1.00 0.38 C ATOM 265 C1' DG B 109 -6.931 -1.446 11.105 1.00 0.34 C ATOM 266 N9 DG B 109 -7.965 -1.389 12.158 1.00 0.29 N ATOM 267 C8 DG B 109 -9.317 -1.224 12.027 1.00 0.29 C ATOM 268 N7 DG B 109 -9.982 -1.173 13.143 1.00 0.28 N ATOM 269 C5 DG B 109 -8.992 -1.318 14.110 1.00 0.25 C ATOM 270 C6 DG B 109 -9.089 -1.343 15.541 1.00 0.26 C ATOM 271 O6 DG B 109 -10.099 -1.238 16.233 1.00 0.30 O ATOM 272 N1 DG B 109 -7.837 -1.512 16.155 1.00 0.24 N ATOM 273 C2 DG B 109 -6.631 -1.643 15.481 1.00 0.23 C ATOM 274 N2 DG B 109 -5.544 -1.802 16.236 1.00 0.25 N ATOM 275 N3 DG B 109 -6.536 -1.618 14.134 1.00 0.25 N ATOM 276 C4 DG B 109 -7.748 -1.454 13.516 1.00 0.25 C ATOM 277 H5' DG B 109 -8.061 1.539 8.802 1.00 0.50 H ATOM 278 H5'' DG B 109 -8.336 0.446 7.430 1.00 0.56 H ATOM 279 H4' DG B 109 -6.201 -0.088 8.442 1.00 0.52 H ATOM 280 H3' DG B 109 -8.374 -2.018 8.334 1.00 0.49 H ATOM 281 H2' DG B 109 -8.185 -3.033 10.355 1.00 0.37 H ATOM 282 H2'' DG B 109 -6.440 -3.273 10.059 1.00 0.40 H ATOM 283 H1' DG B 109 -5.964 -1.646 11.568 1.00 0.35 H ATOM 284 H8 DG B 109 -9.802 -1.141 11.054 1.00 0.33 H ATOM 285 H1 DG B 109 -7.835 -1.533 17.163 1.00 0.26 H ATOM 286 H21 DG B 109 -5.626 -1.820 17.242 1.00 0.26 H ATOM 287 H22 DG B 109 -4.638 -1.905 15.801 1.00 0.28 H ATOM 288 P DA B 110 -6.450 -3.957 7.406 1.00 0.56 P ATOM 289 OP1 DA B 110 -5.707 -4.118 6.136 1.00 0.67 O ATOM 290 OP2 DA B 110 -7.850 -4.427 7.507 1.00 0.55 O ATOM 291 O5' DA B 110 -5.598 -4.656 8.580 1.00 0.51 O ATOM 292 C5' DA B 110 -4.215 -4.339 8.763 1.00 0.54 C ATOM 293 C4' DA B 110 -3.607 -5.125 9.928 1.00 0.52 C ATOM 294 O4' DA B 110 -4.194 -4.700 11.178 1.00 0.44 O ATOM 295 C3' DA B 110 -3.827 -6.638 9.783 1.00 0.55 C ATOM 296 O3' DA B 110 -2.577 -7.322 9.667 1.00 0.62 O ATOM 297 C2' DA B 110 -4.557 -7.070 11.037 1.00 0.50 C ATOM 298 C1' DA B 110 -4.803 -5.812 11.866 1.00 0.43 C ATOM 299 N9 DA B 110 -6.249 -5.578 12.044 1.00 0.39 N ATOM 300 C8 DA B 110 -7.243 -5.560 11.103 1.00 0.41 C ATOM 301 N7 DA B 110 -8.435 -5.307 11.560 1.00 0.40 N ATOM 302 C5 DA B 110 -8.217 -5.143 12.925 1.00 0.36 C ATOM 303 C6 DA B 110 -9.071 -4.852 14.013 1.00 0.36 C ATOM 304 N6 DA B 110 -10.384 -4.668 13.873 1.00 0.40 N ATOM 305 N1 DA B 110 -8.519 -4.761 15.253 1.00 0.34 N ATOM 306 C2 DA B 110 -7.199 -4.943 15.425 1.00 0.33 C ATOM 307 N3 DA B 110 -6.305 -5.221 14.464 1.00 0.34 N ATOM 308 C4 DA B 110 -6.886 -5.307 13.231 1.00 0.35 C ATOM 309 H5' DA B 110 -4.118 -3.272 8.965 1.00 0.52 H ATOM 310 H5'' DA B 110 -3.671 -4.579 7.849 1.00 0.62 H ATOM 311 H4' DA B 110 -2.535 -4.929 9.960 1.00 0.57 H ATOM 312 H3' DA B 110 -4.439 -6.857 8.902 1.00 0.58 H ATOM 313 H2' DA B 110 -5.511 -7.538 10.782 1.00 0.51 H ATOM 314 H2'' DA B 110 -3.940 -7.777 11.595 1.00 0.55 H ATOM 315 H1' DA B 110 -4.336 -5.921 12.848 1.00 0.43 H ATOM 316 H8 DA B 110 -7.050 -5.743 10.046 1.00 0.45 H ATOM 317 H61 DA B 110 -10.954 -4.462 14.680 1.00 0.41 H ATOM 318 H62 DA B 110 -10.808 -4.735 12.959 1.00 0.43 H ATOM 319 H2 DA B 110 -6.822 -4.856 16.443 1.00 0.34 H ATOM 320 P DG B 111 -2.536 -8.922 9.489 1.00 0.68 P ATOM 321 OP1 DG B 111 -1.214 -9.293 8.935 1.00 0.77 O ATOM 322 OP2 DG B 111 -3.772 -9.342 8.791 1.00 0.70 O ATOM 323 O5' DG B 111 -2.612 -9.448 11.009 1.00 0.65 O ATOM 324 C5' DG B 111 -1.566 -9.143 11.936 1.00 0.65 C ATOM 325 C4' DG B 111 -1.799 -9.820 13.290 1.00 0.67 C ATOM 326 O4' DG B 111 -2.950 -9.243 13.947 1.00 0.61 O ATOM 327 C3' DG B 111 -2.033 -11.331 13.149 1.00 0.75 C ATOM 328 O3' DG B 111 -1.047 -12.062 13.883 1.00 0.85 O ATOM 329 C2' DG B 111 -3.416 -11.587 13.711 1.00 0.76 C ATOM 330 C1' DG B 111 -3.935 -10.255 14.242 1.00 0.66 C ATOM 331 N9 DG B 111 -5.230 -9.911 13.622 1.00 0.63 N ATOM 332 C8 DG B 111 -5.544 -9.781 12.296 1.00 0.63 C ATOM 333 N7 DG B 111 -6.777 -9.449 12.047 1.00 0.63 N ATOM 334 C5 DG B 111 -7.341 -9.348 13.316 1.00 0.61 C ATOM 335 C6 DG B 111 -8.678 -9.012 13.713 1.00 0.61 C ATOM 336 O6 DG B 111 -9.634 -8.734 12.993 1.00 0.64 O ATOM 337 N1 DG B 111 -8.835 -9.024 15.109 1.00 0.61 N ATOM 338 C2 DG B 111 -7.829 -9.321 16.022 1.00 0.62 C ATOM 339 N2 DG B 111 -8.161 -9.282 17.312 1.00 0.65 N ATOM 340 N3 DG B 111 -6.571 -9.636 15.649 1.00 0.62 N ATOM 341 C4 DG B 111 -6.399 -9.630 14.290 1.00 0.61 C ATOM 342 H5' DG B 111 -1.524 -8.063 12.081 1.00 0.62 H ATOM 343 H5'' DG B 111 -0.616 -9.484 11.526 1.00 0.72 H ATOM 344 H4' DG B 111 -0.922 -9.659 13.917 1.00 0.71 H ATOM 345 H3' DG B 111 -1.995 -11.633 12.097 1.00 0.77 H ATOM 346 H2' DG B 111 -4.082 -11.957 12.928 1.00 0.77 H ATOM 347 H2'' DG B 111 -3.355 -12.321 14.517 1.00 0.85 H ATOM 348 H1' DG B 111 -4.064 -10.317 15.325 1.00 0.69 H ATOM 349 H8 DG B 111 -4.813 -9.949 11.505 1.00 0.66 H ATOM 350 H1 DG B 111 -9.756 -8.794 15.455 1.00 0.63 H ATOM 351 H21 DG B 111 -9.105 -9.045 17.584 1.00 0.66 H ATOM 352 H22 DG B 111 -7.469 -9.489 18.018 1.00 0.67 H ATOM 353 P DA B 112 -1.086 -13.671 13.927 1.00 0.98 P ATOM 354 OP1 DA B 112 0.239 -14.154 14.377 1.00 1.07 O ATOM 355 OP2 DA B 112 -1.652 -14.156 12.649 1.00 1.00 O ATOM 356 O5' DA B 112 -2.154 -13.966 15.096 1.00 1.01 O ATOM 357 C5' DA B 112 -1.869 -13.601 16.449 1.00 1.02 C ATOM 358 C4' DA B 112 -2.929 -14.142 17.414 1.00 1.10 C ATOM 359 O4' DA B 112 -4.189 -13.465 17.208 1.00 1.02 O ATOM 360 C3' DA B 112 -3.158 -15.649 17.237 1.00 1.24 C ATOM 361 O3' DA B 112 -2.830 -16.354 18.437 1.00 1.34 O ATOM 362 C2' DA B 112 -4.628 -15.807 16.913 1.00 1.25 C ATOM 363 C1' DA B 112 -5.248 -14.415 16.959 1.00 1.11 C ATOM 364 N9 DA B 112 -5.932 -14.105 15.689 1.00 1.07 N ATOM 365 C8 DA B 112 -5.427 -14.106 14.420 1.00 1.05 C ATOM 366 N7 DA B 112 -6.266 -13.751 13.489 1.00 1.04 N ATOM 367 C5 DA B 112 -7.435 -13.496 14.202 1.00 1.03 C ATOM 368 C6 DA B 112 -8.730 -13.076 13.822 1.00 1.03 C ATOM 369 N6 DA B 112 -9.067 -12.827 12.556 1.00 1.04 N ATOM 370 N1 DA B 112 -9.668 -12.923 14.799 1.00 1.04 N ATOM 371 C2 DA B 112 -9.355 -13.168 16.083 1.00 1.06 C ATOM 372 N3 DA B 112 -8.161 -13.567 16.547 1.00 1.07 N ATOM 373 C4 DA B 112 -7.242 -13.712 15.546 1.00 1.05 C ATOM 374 H5' DA B 112 -1.839 -12.515 16.526 1.00 0.93 H ATOM 375 H5'' DA B 112 -0.895 -14.005 16.728 1.00 1.09 H ATOM 376 H4' DA B 112 -2.597 -13.958 18.436 1.00 1.14 H ATOM 377 H3' DA B 112 -2.550 -16.040 16.414 1.00 1.26 H ATOM 378 H2' DA B 112 -4.755 -16.234 15.915 1.00 1.27 H ATOM 379 H2'' DA B 112 -5.098 -16.454 17.652 1.00 1.34 H ATOM 380 H1' DA B 112 -5.971 -14.361 17.776 1.00 1.14 H ATOM 381 H8 DA B 112 -4.402 -14.402 14.202 1.00 1.07 H ATOM 382 H61 DA B 112 -10.006 -12.529 12.333 1.00 1.06 H ATOM 383 H62 DA B 112 -8.383 -12.937 11.821 1.00 1.05 H ATOM 384 H2 DA B 112 -10.148 -13.030 16.819 1.00 1.09 H ATOM 385 P DC B 113 -3.032 -17.949 18.530 1.00 1.50 P ATOM 386 OP1 DC B 113 -2.319 -18.436 19.732 1.00 1.60 O ATOM 387 OP2 DC B 113 -2.729 -18.533 17.205 1.00 1.52 O ATOM 388 O5' DC B 113 -4.615 -18.089 18.793 1.00 1.54 O ATOM 389 C5' DC B 113 -5.167 -17.772 20.073 1.00 1.55 C ATOM 390 C4' DC B 113 -6.667 -18.077 20.137 1.00 1.60 C ATOM 391 O4' DC B 113 -7.383 -17.293 19.157 1.00 1.50 O ATOM 392 C3' DC B 113 -6.973 -19.559 19.879 1.00 1.73 C ATOM 393 O3' DC B 113 -7.518 -20.172 21.050 1.00 1.85 O ATOM 394 C2' DC B 113 -7.984 -19.578 18.750 1.00 1.71 C ATOM 395 C1' DC B 113 -8.300 -18.123 18.413 1.00 1.57 C ATOM 396 N1 DC B 113 -8.163 -17.873 16.951 1.00 1.52 N ATOM 397 C2 DC B 113 -9.297 -17.452 16.246 1.00 1.49 C ATOM 398 O2 DC B 113 -10.368 -17.305 16.829 1.00 1.51 O ATOM 399 N3 DC B 113 -9.166 -17.215 14.905 1.00 1.46 N ATOM 400 C4 DC B 113 -7.983 -17.379 14.276 1.00 1.46 C ATOM 401 N4 DC B 113 -7.902 -17.137 12.967 1.00 1.45 N ATOM 402 C5 DC B 113 -6.814 -17.810 14.992 1.00 1.48 C ATOM 403 C6 DC B 113 -6.951 -18.045 16.318 1.00 1.51 C ATOM 404 H5' DC B 113 -5.011 -16.712 20.274 1.00 1.46 H ATOM 405 H5'' DC B 113 -4.654 -18.358 20.836 1.00 1.64 H ATOM 406 H4' DC B 113 -7.034 -17.813 21.129 1.00 1.63 H ATOM 407 H3' DC B 113 -6.067 -20.095 19.578 1.00 1.76 H ATOM 408 HO3' DC B 113 -6.803 -20.643 21.485 1.00 2.21 H ATOM 409 H2' DC B 113 -7.568 -20.080 17.874 1.00 1.73 H ATOM 410 H2'' DC B 113 -8.888 -20.097 19.075 1.00 1.80 H ATOM 411 H1' DC B 113 -9.319 -17.890 18.740 1.00 1.58 H ATOM 412 H41 DC B 113 -8.721 -16.834 12.458 1.00 1.44 H ATOM 413 H42 DC B 113 -7.023 -17.257 12.485 1.00 1.46 H ATOM 414 H5 DC B 113 -5.854 -17.934 14.492 1.00 1.48 H ATOM 415 H6 DC B 113 -6.091 -18.387 16.891 1.00 1.54 H TER 416 DC B 113 ATOM 417 O5' DG C 114 -17.126 -15.353 9.013 1.00 1.69 O ATOM 418 C5' DG C 114 -18.344 -15.752 9.648 1.00 1.73 C ATOM 419 C4' DG C 114 -18.389 -15.296 11.110 1.00 1.64 C ATOM 420 O4' DG C 114 -17.332 -15.933 11.861 1.00 1.61 O ATOM 421 C3' DG C 114 -18.225 -13.776 11.245 1.00 1.53 C ATOM 422 O3' DG C 114 -19.310 -13.215 11.991 1.00 1.50 O ATOM 423 C2' DG C 114 -16.915 -13.573 11.975 1.00 1.43 C ATOM 424 C1' DG C 114 -16.432 -14.951 12.412 1.00 1.50 C ATOM 425 N9 DG C 114 -15.050 -15.197 11.950 1.00 1.49 N ATOM 426 C8 DG C 114 -14.524 -15.077 10.692 1.00 1.51 C ATOM 427 N7 DG C 114 -13.259 -15.364 10.588 1.00 1.51 N ATOM 428 C5 DG C 114 -12.904 -15.706 11.890 1.00 1.49 C ATOM 429 C6 DG C 114 -11.641 -16.119 12.429 1.00 1.49 C ATOM 430 O6 DG C 114 -10.574 -16.260 11.835 1.00 1.51 O ATOM 431 N1 DG C 114 -11.711 -16.374 13.809 1.00 1.49 N ATOM 432 C2 DG C 114 -12.858 -16.248 14.585 1.00 1.49 C ATOM 433 N2 DG C 114 -12.737 -16.532 15.882 1.00 1.51 N ATOM 434 N3 DG C 114 -14.046 -15.860 14.079 1.00 1.48 N ATOM 435 C4 DG C 114 -13.997 -15.606 12.734 1.00 1.48 C ATOM 436 H5' DG C 114 -18.425 -16.838 9.612 1.00 1.81 H ATOM 437 H5'' DG C 114 -19.185 -15.314 9.112 1.00 1.77 H ATOM 438 H4' DG C 114 -19.348 -15.585 11.540 1.00 1.68 H ATOM 439 H3' DG C 114 -18.183 -13.300 10.260 1.00 1.55 H ATOM 440 H2' DG C 114 -16.180 -13.121 11.310 1.00 1.41 H ATOM 441 H2'' DG C 114 -17.069 -12.931 12.844 1.00 1.36 H ATOM 442 H1' DG C 114 -16.460 -15.016 13.502 1.00 1.48 H ATOM 443 H8 DG C 114 -15.123 -14.764 9.837 1.00 1.53 H ATOM 444 H1 DG C 114 -10.853 -16.669 14.250 1.00 1.50 H ATOM 445 H21 DG C 114 -11.844 -16.823 16.254 1.00 1.53 H ATOM 446 H22 DG C 114 -13.538 -16.457 16.492 1.00 1.53 H ATOM 447 HO5' DG C 114 -17.342 -15.105 8.111 1.00 1.93 H ATOM 448 P DT C 115 -19.354 -11.638 12.318 1.00 1.40 P ATOM 449 OP1 DT C 115 -20.754 -11.268 12.625 1.00 1.44 O ATOM 450 OP2 DT C 115 -18.619 -10.923 11.251 1.00 1.39 O ATOM 451 O5' DT C 115 -18.495 -11.536 13.678 1.00 1.29 O ATOM 452 C5' DT C 115 -18.921 -12.230 14.853 1.00 1.31 C ATOM 453 C4' DT C 115 -17.988 -11.973 16.041 1.00 1.22 C ATOM 454 O4' DT C 115 -16.701 -12.590 15.812 1.00 1.20 O ATOM 455 C3' DT C 115 -17.761 -10.475 16.293 1.00 1.12 C ATOM 456 O3' DT C 115 -18.330 -10.079 17.546 1.00 1.10 O ATOM 457 C2' DT C 115 -16.257 -10.291 16.319 1.00 1.03 C ATOM 458 C1' DT C 115 -15.634 -11.669 16.119 1.00 1.09 C ATOM 459 N1 DT C 115 -14.618 -11.652 15.024 1.00 1.07 N ATOM 460 C2 DT C 115 -13.316 -12.051 15.336 1.00 1.06 C ATOM 461 O2 DT C 115 -12.991 -12.403 16.468 1.00 1.06 O ATOM 462 N3 DT C 115 -12.410 -12.026 14.286 1.00 1.05 N ATOM 463 C4 DT C 115 -12.678 -11.641 12.975 1.00 1.07 C ATOM 464 O4 DT C 115 -11.790 -11.663 12.126 1.00 1.08 O ATOM 465 C5 DT C 115 -14.052 -11.234 12.736 1.00 1.09 C ATOM 466 C7 DT C 115 -14.450 -10.734 11.345 1.00 1.13 C ATOM 467 C6 DT C 115 -14.963 -11.256 13.746 1.00 1.09 C ATOM 468 H5' DT C 115 -18.941 -13.300 14.644 1.00 1.38 H ATOM 469 H5'' DT C 115 -19.927 -11.901 15.114 1.00 1.34 H ATOM 470 H4' DT C 115 -18.432 -12.413 16.934 1.00 1.25 H ATOM 471 H3' DT C 115 -18.199 -9.875 15.489 1.00 1.14 H ATOM 472 H2' DT C 115 -15.941 -9.614 15.524 1.00 1.00 H ATOM 473 H2'' DT C 115 -15.958 -9.885 17.284 1.00 0.98 H ATOM 474 H1' DT C 115 -15.164 -11.985 17.057 1.00 1.08 H ATOM 475 H3 DT C 115 -11.464 -12.316 14.492 1.00 1.05 H ATOM 476 H71 DT C 115 -14.086 -11.432 10.591 1.00 1.53 H ATOM 477 H72 DT C 115 -14.004 -9.754 11.174 1.00 1.53 H ATOM 478 H73 DT C 115 -15.536 -10.653 11.271 1.00 1.52 H ATOM 479 H6 DT C 115 -15.993 -10.966 13.540 1.00 1.12 H ATOM 480 P DC C 116 -18.140 -8.575 18.096 1.00 1.03 P ATOM 481 OP1 DC C 116 -19.203 -8.308 19.090 1.00 1.09 O ATOM 482 OP2 DC C 116 -17.973 -7.675 16.933 1.00 1.02 O ATOM 483 O5' DC C 116 -16.730 -8.660 18.875 1.00 0.92 O ATOM 484 C5' DC C 116 -16.606 -9.453 20.058 1.00 0.94 C ATOM 485 C4' DC C 116 -15.205 -9.354 20.674 1.00 0.83 C ATOM 486 O4' DC C 116 -14.219 -9.909 19.774 1.00 0.80 O ATOM 487 C3' DC C 116 -14.805 -7.906 20.987 1.00 0.76 C ATOM 488 O3' DC C 116 -14.681 -7.708 22.398 1.00 0.74 O ATOM 489 C2' DC C 116 -13.467 -7.694 20.308 1.00 0.66 C ATOM 490 C1' DC C 116 -13.115 -8.997 19.595 1.00 0.70 C ATOM 491 N1 DC C 116 -12.871 -8.755 18.145 1.00 0.68 N ATOM 492 C2 DC C 116 -11.619 -9.092 17.618 1.00 0.66 C ATOM 493 O2 DC C 116 -10.747 -9.562 18.345 1.00 0.65 O ATOM 494 N3 DC C 116 -11.409 -8.880 16.282 1.00 0.66 N ATOM 495 C4 DC C 116 -12.374 -8.362 15.493 1.00 0.68 C ATOM 496 N4 DC C 116 -12.126 -8.175 14.197 1.00 0.70 N ATOM 497 C5 DC C 116 -13.661 -8.012 16.027 1.00 0.72 C ATOM 498 C6 DC C 116 -13.862 -8.224 17.350 1.00 0.71 C ATOM 499 H5' DC C 116 -16.810 -10.495 19.809 1.00 1.00 H ATOM 500 H5'' DC C 116 -17.339 -9.114 20.790 1.00 0.98 H ATOM 501 H4' DC C 116 -15.191 -9.927 21.601 1.00 0.86 H ATOM 502 H3' DC C 116 -15.543 -7.205 20.586 1.00 0.80 H ATOM 503 H2' DC C 116 -13.531 -6.881 19.586 1.00 0.65 H ATOM 504 H2'' DC C 116 -12.709 -7.456 21.059 1.00 0.61 H ATOM 505 H1' DC C 116 -12.223 -9.435 20.057 1.00 0.68 H ATOM 506 H41 DC C 116 -11.224 -8.419 13.815 1.00 0.69 H ATOM 507 H42 DC C 116 -12.841 -7.788 13.596 1.00 0.74 H ATOM 508 H5 DC C 116 -14.443 -7.591 15.395 1.00 0.75 H ATOM 509 H6 DC C 116 -14.820 -7.961 17.795 1.00 0.76 H ATOM 510 P DT C 117 -14.342 -6.249 22.990 1.00 0.69 P ATOM 511 OP1 DT C 117 -14.663 -6.250 24.435 1.00 0.85 O ATOM 512 OP2 DT C 117 -14.949 -5.235 22.099 1.00 0.89 O ATOM 513 O5' DT C 117 -12.741 -6.167 22.829 1.00 0.55 O ATOM 514 C5' DT C 117 -11.891 -7.015 23.605 1.00 0.53 C ATOM 515 C4' DT C 117 -10.415 -6.816 23.249 1.00 0.43 C ATOM 516 O4' DT C 117 -10.201 -7.081 21.844 1.00 0.42 O ATOM 517 C3' DT C 117 -9.933 -5.389 23.542 1.00 0.41 C ATOM 518 O3' DT C 117 -8.960 -5.376 24.586 1.00 0.40 O ATOM 519 C2' DT C 117 -9.312 -4.892 22.256 1.00 0.36 C ATOM 520 C1' DT C 117 -9.417 -6.028 21.244 1.00 0.36 C ATOM 521 N1 DT C 117 -10.048 -5.551 19.981 1.00 0.39 N ATOM 522 C2 DT C 117 -9.299 -5.631 18.808 1.00 0.40 C ATOM 523 O2 DT C 117 -8.156 -6.083 18.789 1.00 0.40 O ATOM 524 N3 DT C 117 -9.925 -5.170 17.661 1.00 0.45 N ATOM 525 C4 DT C 117 -11.210 -4.641 17.578 1.00 0.49 C ATOM 526 O4 DT C 117 -11.659 -4.264 16.498 1.00 0.54 O ATOM 527 C5 DT C 117 -11.921 -4.589 18.843 1.00 0.48 C ATOM 528 C7 DT C 117 -13.334 -3.998 18.881 1.00 0.57 C ATOM 529 C6 DT C 117 -11.332 -5.038 19.984 1.00 0.43 C ATOM 530 H5' DT C 117 -12.164 -8.055 23.423 1.00 0.57 H ATOM 531 H5'' DT C 117 -12.035 -6.791 24.662 1.00 0.59 H ATOM 532 H4' DT C 117 -9.816 -7.516 23.833 1.00 0.46 H ATOM 533 H3' DT C 117 -10.773 -4.747 23.824 1.00 0.47 H ATOM 534 H2' DT C 117 -9.846 -4.014 21.888 1.00 0.39 H ATOM 535 H2'' DT C 117 -8.266 -4.638 22.431 1.00 0.34 H ATOM 536 H1' DT C 117 -8.415 -6.420 21.037 1.00 0.36 H ATOM 537 H3 DT C 117 -9.398 -5.222 16.803 1.00 0.47 H ATOM 538 H71 DT C 117 -13.339 -3.046 18.350 1.00 1.21 H ATOM 539 H72 DT C 117 -13.645 -3.835 19.914 1.00 1.10 H ATOM 540 H73 DT C 117 -14.028 -4.684 18.396 1.00 1.23 H ATOM 541 H6 DT C 117 -11.885 -4.994 20.922 1.00 0.45 H ATOM 542 P DC C 118 -8.546 -3.982 25.272 1.00 0.42 P ATOM 543 OP1 DC C 118 -8.616 -4.154 26.740 1.00 0.50 O ATOM 544 OP2 DC C 118 -9.327 -2.904 24.625 1.00 0.47 O ATOM 545 O5' DC C 118 -6.997 -3.803 24.844 1.00 0.34 O ATOM 546 C5' DC C 118 -6.197 -4.931 24.468 1.00 0.33 C ATOM 547 C4' DC C 118 -5.057 -4.537 23.515 1.00 0.29 C ATOM 548 O4' DC C 118 -5.547 -4.438 22.158 1.00 0.26 O ATOM 549 C3' DC C 118 -4.414 -3.193 23.891 1.00 0.29 C ATOM 550 O3' DC C 118 -3.024 -3.364 24.199 1.00 0.32 O ATOM 551 C2' DC C 118 -4.585 -2.304 22.673 1.00 0.27 C ATOM 552 C1' DC C 118 -5.185 -3.170 21.571 1.00 0.25 C ATOM 553 N1 DC C 118 -6.379 -2.519 20.962 1.00 0.24 N ATOM 554 C2 DC C 118 -6.356 -2.248 19.588 1.00 0.25 C ATOM 555 O2 DC C 118 -5.359 -2.516 18.921 1.00 0.28 O ATOM 556 N3 DC C 118 -7.469 -1.684 19.028 1.00 0.27 N ATOM 557 C4 DC C 118 -8.557 -1.391 19.771 1.00 0.28 C ATOM 558 N4 DC C 118 -9.622 -0.850 19.181 1.00 0.31 N ATOM 559 C5 DC C 118 -8.588 -1.661 21.182 1.00 0.27 C ATOM 560 C6 DC C 118 -7.483 -2.221 21.731 1.00 0.25 C ATOM 561 H5' DC C 118 -6.831 -5.668 23.975 1.00 0.33 H ATOM 562 H5'' DC C 118 -5.770 -5.377 25.367 1.00 0.40 H ATOM 563 H4' DC C 118 -4.290 -5.311 23.552 1.00 0.32 H ATOM 564 H3' DC C 118 -4.920 -2.752 24.756 1.00 0.32 H ATOM 565 H2' DC C 118 -5.253 -1.473 22.899 1.00 0.29 H ATOM 566 H2'' DC C 118 -3.615 -1.920 22.357 1.00 0.29 H ATOM 567 H1' DC C 118 -4.424 -3.347 20.802 1.00 0.26 H ATOM 568 H41 DC C 118 -9.607 -0.658 18.189 1.00 0.33 H ATOM 569 H42 DC C 118 -10.445 -0.633 19.724 1.00 0.34 H ATOM 570 H5 DC C 118 -9.462 -1.419 21.787 1.00 0.31 H ATOM 571 H6 DC C 118 -7.467 -2.441 22.798 1.00 0.27 H ATOM 572 P DT C 119 -2.084 -2.090 24.512 1.00 0.35 P ATOM 573 OP1 DT C 119 -0.840 -2.576 25.150 1.00 0.41 O ATOM 574 OP2 DT C 119 -2.907 -1.063 25.189 1.00 0.36 O ATOM 575 O5' DT C 119 -1.719 -1.551 23.036 1.00 0.31 O ATOM 576 C5' DT C 119 -0.802 -2.271 22.204 1.00 0.31 C ATOM 577 C4' DT C 119 -0.656 -1.626 20.822 1.00 0.28 C ATOM 578 O4' DT C 119 -1.945 -1.486 20.184 1.00 0.27 O ATOM 579 C3' DT C 119 -0.012 -0.235 20.896 1.00 0.26 C ATOM 580 O3' DT C 119 1.264 -0.232 20.253 1.00 0.27 O ATOM 581 C2' DT C 119 -0.965 0.697 20.177 1.00 0.25 C ATOM 582 C1' DT C 119 -2.064 -0.181 19.580 1.00 0.25 C ATOM 583 N1 DT C 119 -3.420 0.395 19.823 1.00 0.24 N ATOM 584 C2 DT C 119 -4.220 0.674 18.712 1.00 0.26 C ATOM 585 O2 DT C 119 -3.836 0.476 17.561 1.00 0.28 O ATOM 586 N3 DT C 119 -5.478 1.189 18.989 1.00 0.27 N ATOM 587 C4 DT C 119 -6.001 1.449 20.253 1.00 0.26 C ATOM 588 O4 DT C 119 -7.135 1.907 20.375 1.00 0.29 O ATOM 589 C5 DT C 119 -5.104 1.134 21.350 1.00 0.25 C ATOM 590 C7 DT C 119 -5.556 1.396 22.787 1.00 0.29 C ATOM 591 C6 DT C 119 -3.869 0.627 21.108 1.00 0.24 C ATOM 592 H5' DT C 119 -1.159 -3.293 22.083 1.00 0.33 H ATOM 593 H5'' DT C 119 0.176 -2.291 22.688 1.00 0.35 H ATOM 594 H4' DT C 119 -0.029 -2.267 20.203 1.00 0.30 H ATOM 595 H3' DT C 119 0.108 0.082 21.937 1.00 0.27 H ATOM 596 H2' DT C 119 -1.393 1.416 20.878 1.00 0.26 H ATOM 597 H2'' DT C 119 -0.433 1.230 19.387 1.00 0.25 H ATOM 598 H1' DT C 119 -1.891 -0.284 18.503 1.00 0.27 H ATOM 599 H3 DT C 119 -6.071 1.395 18.199 1.00 0.30 H ATOM 600 H71 DT C 119 -4.976 0.781 23.476 1.00 1.07 H ATOM 601 H72 DT C 119 -6.613 1.149 22.884 1.00 1.04 H ATOM 602 H73 DT C 119 -5.407 2.449 23.027 1.00 1.09 H ATOM 603 H6 DT C 119 -3.215 0.398 21.948 1.00 0.26 H ATOM 604 P DA C 120 2.143 1.113 20.231 1.00 0.27 P ATOM 605 OP1 DA C 120 3.573 0.738 20.223 1.00 0.28 O ATOM 606 OP2 DA C 120 1.622 2.003 21.285 1.00 0.28 O ATOM 607 O5' DA C 120 1.777 1.755 18.800 1.00 0.25 O ATOM 608 C5' DA C 120 2.014 1.012 17.604 1.00 0.27 C ATOM 609 C4' DA C 120 1.615 1.790 16.347 1.00 0.27 C ATOM 610 O4' DA C 120 0.176 1.935 16.278 1.00 0.27 O ATOM 611 C3' DA C 120 2.241 3.190 16.295 1.00 0.26 C ATOM 612 O3' DA C 120 3.182 3.281 15.219 1.00 0.28 O ATOM 613 C2' DA C 120 1.085 4.146 16.069 1.00 0.25 C ATOM 614 C1' DA C 120 -0.195 3.318 16.086 1.00 0.26 C ATOM 615 N9 DA C 120 -1.090 3.778 17.167 1.00 0.24 N ATOM 616 C8 DA C 120 -0.857 3.810 18.513 1.00 0.25 C ATOM 617 N7 DA C 120 -1.843 4.257 19.236 1.00 0.25 N ATOM 618 C5 DA C 120 -2.818 4.553 18.288 1.00 0.25 C ATOM 619 C6 DA C 120 -4.130 5.073 18.379 1.00 0.25 C ATOM 620 N6 DA C 120 -4.704 5.391 19.539 1.00 0.27 N ATOM 621 N1 DA C 120 -4.832 5.249 17.225 1.00 0.26 N ATOM 622 C2 DA C 120 -4.282 4.932 16.041 1.00 0.25 C ATOM 623 N3 DA C 120 -3.051 4.431 15.846 1.00 0.25 N ATOM 624 C4 DA C 120 -2.369 4.266 17.020 1.00 0.24 C ATOM 625 H5' DA C 120 1.440 0.087 17.643 1.00 0.28 H ATOM 626 H5'' DA C 120 3.075 0.768 17.546 1.00 0.28 H ATOM 627 H4' DA C 120 1.955 1.229 15.479 1.00 0.29 H ATOM 628 H3' DA C 120 2.740 3.426 17.243 1.00 0.26 H ATOM 629 H2' DA C 120 1.052 4.894 16.860 1.00 0.25 H ATOM 630 H2'' DA C 120 1.199 4.639 15.104 1.00 0.27 H ATOM 631 H1' DA C 120 -0.712 3.419 15.129 1.00 0.27 H ATOM 632 H8 DA C 120 0.095 3.509 18.944 1.00 0.25 H ATOM 633 H61 DA C 120 -5.644 5.760 19.553 1.00 0.27 H ATOM 634 H62 DA C 120 -4.200 5.263 20.404 1.00 0.27 H ATOM 635 H2 DA C 120 -4.893 5.103 15.155 1.00 0.26 H ATOM 636 P DT C 121 3.850 4.692 14.816 1.00 0.30 P ATOM 637 OP1 DT C 121 5.000 4.423 13.923 1.00 0.34 O ATOM 638 OP2 DT C 121 4.044 5.485 16.049 1.00 0.30 O ATOM 639 O5' DT C 121 2.691 5.394 13.946 1.00 0.29 O ATOM 640 C5' DT C 121 2.275 4.832 12.699 1.00 0.32 C ATOM 641 C4' DT C 121 1.057 5.565 12.129 1.00 0.32 C ATOM 642 O4' DT C 121 -0.049 5.486 13.060 1.00 0.30 O ATOM 643 C3' DT C 121 1.346 7.054 11.867 1.00 0.32 C ATOM 644 O3' DT C 121 1.317 7.356 10.469 1.00 0.35 O ATOM 645 C2' DT C 121 0.247 7.815 12.583 1.00 0.30 C ATOM 646 C1' DT C 121 -0.686 6.774 13.196 1.00 0.29 C ATOM 647 N1 DT C 121 -0.976 7.095 14.628 1.00 0.26 N ATOM 648 C2 DT C 121 -2.305 7.342 14.980 1.00 0.27 C ATOM 649 O2 DT C 121 -3.222 7.275 14.164 1.00 0.30 O ATOM 650 N3 DT C 121 -2.528 7.668 16.310 1.00 0.26 N ATOM 651 C4 DT C 121 -1.560 7.771 17.306 1.00 0.25 C ATOM 652 O4 DT C 121 -1.880 8.069 18.455 1.00 0.26 O ATOM 653 C5 DT C 121 -0.204 7.502 16.860 1.00 0.24 C ATOM 654 C7 DT C 121 0.954 7.633 17.856 1.00 0.25 C ATOM 655 C6 DT C 121 0.043 7.174 15.563 1.00 0.25 C ATOM 656 H5' DT C 121 2.020 3.782 12.848 1.00 0.32 H ATOM 657 H5'' DT C 121 3.096 4.901 11.986 1.00 0.35 H ATOM 658 H4' DT C 121 0.767 5.083 11.191 1.00 0.35 H ATOM 659 H3' DT C 121 2.322 7.336 12.276 1.00 0.33 H ATOM 660 H2' DT C 121 0.670 8.447 13.366 1.00 0.30 H ATOM 661 H2'' DT C 121 -0.297 8.434 11.868 1.00 0.32 H ATOM 662 H1' DT C 121 -1.620 6.754 12.623 1.00 0.31 H ATOM 663 H3 DT C 121 -3.485 7.849 16.580 1.00 0.28 H ATOM 664 H71 DT C 121 0.820 8.540 18.446 1.00 1.11 H ATOM 665 H72 DT C 121 1.906 7.689 17.321 1.00 1.05 H ATOM 666 H73 DT C 121 0.962 6.771 18.522 1.00 1.01 H ATOM 667 H6 DT C 121 1.066 6.959 15.258 1.00 0.26 H ATOM 668 P DC C 122 1.539 8.873 9.968 1.00 0.37 P ATOM 669 OP1 DC C 122 1.900 8.846 8.535 1.00 0.43 O ATOM 670 OP2 DC C 122 2.424 9.555 10.938 1.00 0.38 O ATOM 671 O5' DC C 122 0.065 9.507 10.100 1.00 0.35 O ATOM 672 C5' DC C 122 -0.945 9.194 9.137 1.00 0.38 C ATOM 673 C4' DC C 122 -2.177 10.091 9.294 1.00 0.37 C ATOM 674 O4' DC C 122 -2.739 9.946 10.617 1.00 0.34 O ATOM 675 C3' DC C 122 -1.849 11.574 9.071 1.00 0.38 C ATOM 676 O3' DC C 122 -2.578 12.087 7.952 1.00 0.44 O ATOM 677 C2' DC C 122 -2.263 12.281 10.345 1.00 0.33 C ATOM 678 C1' DC C 122 -2.916 11.234 11.243 1.00 0.31 C ATOM 679 N1 DC C 122 -2.303 11.237 12.601 1.00 0.27 N ATOM 680 C2 DC C 122 -3.130 11.502 13.699 1.00 0.27 C ATOM 681 O2 DC C 122 -4.324 11.743 13.531 1.00 0.30 O ATOM 682 N3 DC C 122 -2.566 11.481 14.945 1.00 0.25 N ATOM 683 C4 DC C 122 -1.255 11.216 15.119 1.00 0.25 C ATOM 684 N4 DC C 122 -0.749 11.206 16.352 1.00 0.28 N ATOM 685 C5 DC C 122 -0.397 10.945 13.998 1.00 0.25 C ATOM 686 C6 DC C 122 -0.961 10.967 12.765 1.00 0.26 C ATOM 687 H5' DC C 122 -1.245 8.153 9.263 1.00 0.38 H ATOM 688 H5'' DC C 122 -0.535 9.326 8.136 1.00 0.41 H ATOM 689 H4' DC C 122 -2.925 9.786 8.562 1.00 0.42 H ATOM 690 H3' DC C 122 -0.777 11.713 8.898 1.00 0.39 H ATOM 691 H2' DC C 122 -1.391 12.706 10.844 1.00 0.32 H ATOM 692 H2'' DC C 122 -2.974 13.075 10.109 1.00 0.35 H ATOM 693 H1' DC C 122 -3.990 11.440 11.314 1.00 0.33 H ATOM 694 H41 DC C 122 -1.346 11.395 17.145 1.00 0.29 H ATOM 695 H42 DC C 122 0.231 11.009 16.495 1.00 0.30 H ATOM 696 H5 DC C 122 0.663 10.732 14.133 1.00 0.27 H ATOM 697 H6 DC C 122 -0.343 10.773 11.889 1.00 0.28 H ATOM 698 P DA C 123 -2.357 13.602 7.453 1.00 0.47 P ATOM 699 OP1 DA C 123 -2.925 13.729 6.092 1.00 0.55 O ATOM 700 OP2 DA C 123 -0.945 13.970 7.700 1.00 0.47 O ATOM 701 O5' DA C 123 -3.282 14.448 8.466 1.00 0.45 O ATOM 702 C5' DA C 123 -4.705 14.304 8.443 1.00 0.47 C ATOM 703 C4' DA C 123 -5.389 15.284 9.402 1.00 0.45 C ATOM 704 O4' DA C 123 -5.100 14.919 10.769 1.00 0.40 O ATOM 705 C3' DA C 123 -4.928 16.734 9.183 1.00 0.48 C ATOM 706 O3' DA C 123 -6.042 17.577 8.869 1.00 0.52 O ATOM 707 C2' DA C 123 -4.289 17.160 10.489 1.00 0.43 C ATOM 708 C1' DA C 123 -4.479 16.013 11.472 1.00 0.39 C ATOM 709 N9 DA C 123 -3.185 15.597 12.044 1.00 0.34 N ATOM 710 C8 DA C 123 -2.042 15.203 11.404 1.00 0.34 C ATOM 711 N7 DA C 123 -1.055 14.874 12.186 1.00 0.32 N ATOM 712 C5 DA C 123 -1.587 15.068 13.458 1.00 0.31 C ATOM 713 C6 DA C 123 -1.068 14.904 14.762 1.00 0.31 C ATOM 714 N6 DA C 123 0.174 14.479 14.998 1.00 0.32 N ATOM 715 N1 DA C 123 -1.881 15.194 15.817 1.00 0.34 N ATOM 716 C2 DA C 123 -3.138 15.622 15.607 1.00 0.36 C ATOM 717 N3 DA C 123 -3.723 15.808 14.417 1.00 0.36 N ATOM 718 C4 DA C 123 -2.886 15.511 13.380 1.00 0.33 C ATOM 719 H5' DA C 123 -4.963 13.285 8.733 1.00 0.46 H ATOM 720 H5'' DA C 123 -5.065 14.486 7.431 1.00 0.52 H ATOM 721 H4' DA C 123 -6.466 15.232 9.246 1.00 0.49 H ATOM 722 H3' DA C 123 -4.195 16.789 8.372 1.00 0.51 H ATOM 723 H2' DA C 123 -3.223 17.352 10.346 1.00 0.44 H ATOM 724 H2'' DA C 123 -4.776 18.059 10.863 1.00 0.45 H ATOM 725 H1' DA C 123 -5.140 16.331 12.282 1.00 0.40 H ATOM 726 H8 DA C 123 -1.962 15.175 10.317 1.00 0.37 H ATOM 727 H61 DA C 123 0.500 14.377 15.949 1.00 0.34 H ATOM 728 H62 DA C 123 0.788 14.259 14.227 1.00 0.32 H ATOM 729 H2 DA C 123 -3.738 15.838 16.491 1.00 0.40 H ATOM 730 P DC C 124 -5.851 19.171 8.701 1.00 0.57 P ATOM 731 OP1 DC C 124 -7.103 19.731 8.145 1.00 0.64 O ATOM 732 OP2 DC C 124 -4.564 19.412 8.011 1.00 0.59 O ATOM 733 O5' DC C 124 -5.707 19.673 10.227 1.00 0.53 O ATOM 734 C5' DC C 124 -6.847 19.691 11.092 1.00 0.53 C ATOM 735 C4' DC C 124 -6.539 20.346 12.445 1.00 0.51 C ATOM 736 O4' DC C 124 -5.619 19.528 13.203 1.00 0.45 O ATOM 737 C3' DC C 124 -5.919 21.742 12.294 1.00 0.54 C ATOM 738 O3' DC C 124 -6.808 22.749 12.784 1.00 0.59 O ATOM 739 C2' DC C 124 -4.652 21.719 13.125 1.00 0.50 C ATOM 740 C1' DC C 124 -4.575 20.340 13.779 1.00 0.45 C ATOM 741 N1 DC C 124 -3.237 19.714 13.564 1.00 0.42 N ATOM 742 C2 DC C 124 -2.492 19.349 14.691 1.00 0.41 C ATOM 743 O2 DC C 124 -2.936 19.552 15.819 1.00 0.43 O ATOM 744 N3 DC C 124 -1.271 18.766 14.491 1.00 0.42 N ATOM 745 C4 DC C 124 -0.793 18.546 13.248 1.00 0.44 C ATOM 746 N4 DC C 124 0.403 17.976 13.102 1.00 0.49 N ATOM 747 C5 DC C 124 -1.550 18.918 12.085 1.00 0.45 C ATOM 748 C6 DC C 124 -2.758 19.496 12.289 1.00 0.44 C ATOM 749 H5' DC C 124 -7.178 18.666 11.263 1.00 0.52 H ATOM 750 H5'' DC C 124 -7.651 20.245 10.606 1.00 0.59 H ATOM 751 H4' DC C 124 -7.469 20.437 13.007 1.00 0.54 H ATOM 752 H3' DC C 124 -5.677 21.948 11.246 1.00 0.57 H ATOM 753 H2' DC C 124 -3.779 21.882 12.493 1.00 0.52 H ATOM 754 H2'' DC C 124 -4.700 22.498 13.889 1.00 0.53 H ATOM 755 H1' DC C 124 -4.771 20.441 14.853 1.00 0.45 H ATOM 756 H41 DC C 124 0.940 17.712 13.915 1.00 0.50 H ATOM 757 H42 DC C 124 0.773 17.809 12.177 1.00 0.53 H ATOM 758 H5 DC C 124 -1.167 18.744 11.079 1.00 0.50 H ATOM 759 H6 DC C 124 -3.355 19.806 11.432 1.00 0.47 H ATOM 760 P DT C 125 -6.397 24.305 12.712 1.00 0.66 P ATOM 761 OP1 DT C 125 -7.626 25.115 12.859 1.00 0.73 O ATOM 762 OP2 DT C 125 -5.521 24.499 11.535 1.00 0.69 O ATOM 763 O5' DT C 125 -5.505 24.496 14.041 1.00 0.64 O ATOM 764 C5' DT C 125 -6.110 24.411 15.333 1.00 0.65 C ATOM 765 C4' DT C 125 -5.114 24.725 16.454 1.00 0.67 C ATOM 766 O4' DT C 125 -4.044 23.754 16.461 1.00 0.61 O ATOM 767 C3' DT C 125 -4.491 26.120 16.309 1.00 0.75 C ATOM 768 O3' DT C 125 -4.905 26.970 17.382 1.00 0.84 O ATOM 769 C2' DT C 125 -2.990 25.907 16.357 1.00 0.73 C ATOM 770 C1' DT C 125 -2.762 24.408 16.556 1.00 0.64 C ATOM 771 N1 DT C 125 -1.817 23.858 15.539 1.00 0.60 N ATOM 772 C2 DT C 125 -0.687 23.176 15.999 1.00 0.59 C ATOM 773 O2 DT C 125 -0.445 23.039 17.196 1.00 0.61 O ATOM 774 N3 DT C 125 0.147 22.659 15.017 1.00 0.59 N ATOM 775 C4 DT C 125 -0.039 22.762 13.641 1.00 0.62 C ATOM 776 O4 DT C 125 0.770 22.259 12.864 1.00 0.65 O ATOM 777 C5 DT C 125 -1.232 23.490 13.250 1.00 0.62 C ATOM 778 C7 DT C 125 -1.530 23.707 11.769 1.00 0.67 C ATOM 779 C6 DT C 125 -2.068 24.002 14.186 1.00 0.61 C ATOM 780 H5' DT C 125 -6.499 23.403 15.476 1.00 0.61 H ATOM 781 H5'' DT C 125 -6.936 25.121 15.385 1.00 0.71 H ATOM 782 H4' DT C 125 -5.637 24.674 17.409 1.00 0.71 H ATOM 783 H3' DT C 125 -4.775 26.576 15.355 1.00 0.77 H ATOM 784 H2' DT C 125 -2.529 26.240 15.426 1.00 0.74 H ATOM 785 H2'' DT C 125 -2.568 26.469 17.193 1.00 0.78 H ATOM 786 H1' DT C 125 -2.364 24.239 17.563 1.00 0.65 H ATOM 787 H3 DT C 125 0.967 22.160 15.331 1.00 0.60 H ATOM 788 H71 DT C 125 -2.607 23.689 11.607 1.00 1.30 H ATOM 789 H72 DT C 125 -1.060 22.916 11.185 1.00 1.14 H ATOM 790 H73 DT C 125 -1.133 24.673 11.458 1.00 1.25 H ATOM 791 H6 DT C 125 -2.960 24.541 13.866 1.00 0.64 H ATOM 792 P DG C 126 -4.471 28.520 17.411 1.00 0.95 P ATOM 793 OP1 DG C 126 -5.436 29.256 18.258 1.00 1.05 O ATOM 794 OP2 DG C 126 -4.225 28.958 16.019 1.00 0.96 O ATOM 795 O5' DG C 126 -3.058 28.474 18.181 1.00 0.96 O ATOM 796 C5' DG C 126 -2.987 28.050 19.545 1.00 0.99 C ATOM 797 C4' DG C 126 -1.577 28.227 20.116 1.00 1.03 C ATOM 798 O4' DG C 126 -0.680 27.253 19.539 1.00 0.93 O ATOM 799 C3' DG C 126 -1.012 29.627 19.834 1.00 1.13 C ATOM 800 O3' DG C 126 -0.693 30.295 21.058 1.00 1.23 O ATOM 801 C2' DG C 126 0.236 29.407 19.004 1.00 1.12 C ATOM 802 C1' DG C 126 0.447 27.900 18.912 1.00 0.99 C ATOM 803 N9 DG C 126 0.574 27.471 17.505 1.00 0.94 N ATOM 804 C8 DG C 126 -0.271 27.697 16.452 1.00 0.94 C ATOM 805 N7 DG C 126 0.102 27.176 15.318 1.00 0.92 N ATOM 806 C5 DG C 126 1.302 26.546 15.638 1.00 0.90 C ATOM 807 C6 DG C 126 2.204 25.792 14.816 1.00 0.89 C ATOM 808 O6 DG C 126 2.103 25.536 13.618 1.00 0.92 O ATOM 809 N1 DG C 126 3.313 25.322 15.540 1.00 0.88 N ATOM 810 C2 DG C 126 3.535 25.549 16.894 1.00 0.88 C ATOM 811 N2 DG C 126 4.644 25.027 17.414 1.00 0.89 N ATOM 812 N3 DG C 126 2.688 26.257 17.666 1.00 0.90 N ATOM 813 C4 DG C 126 1.600 26.723 16.979 1.00 0.90 C ATOM 814 H5' DG C 126 -3.266 26.998 19.606 1.00 0.93 H ATOM 815 H5'' DG C 126 -3.687 28.639 20.137 1.00 1.08 H ATOM 816 H4' DG C 126 -1.614 28.075 21.194 1.00 1.08 H ATOM 817 H3' DG C 126 -1.733 30.231 19.273 1.00 1.17 H ATOM 818 HO3' DG C 126 -0.020 30.950 20.858 1.00 1.50 H ATOM 819 H2' DG C 126 0.104 29.823 18.003 1.00 1.14 H ATOM 820 H2'' DG C 126 1.090 29.883 19.491 1.00 1.20 H ATOM 821 H1' DG C 126 1.356 27.624 19.451 1.00 1.00 H ATOM 822 H8 DG C 126 -1.190 28.273 16.556 1.00 0.97 H ATOM 823 H1 DG C 126 3.988 24.781 15.018 1.00 0.89 H ATOM 824 H21 DG C 126 5.275 24.497 16.830 1.00 0.89 H ATOM 825 H22 DG C 126 4.855 25.161 18.393 1.00 0.90 H TER 826 DG C 126 ATOM 827 N MET A 1 25.760 18.158 28.110 1.00 14.13 N ATOM 828 CA MET A 1 24.674 17.747 27.182 1.00 13.90 C ATOM 829 C MET A 1 24.372 16.269 27.409 1.00 13.48 C ATOM 830 O MET A 1 24.335 15.836 28.536 1.00 13.54 O ATOM 831 CB MET A 1 25.078 18.030 25.724 1.00 14.24 C ATOM 832 CG MET A 1 26.099 16.999 25.192 1.00 14.56 C ATOM 833 SD MET A 1 27.481 17.850 24.390 1.00 15.01 S ATOM 834 CE MET A 1 28.468 18.076 25.892 1.00 15.57 C ATOM 835 H1 MET A 1 25.466 17.964 29.089 1.00 14.29 H ATOM 836 H2 MET A 1 26.623 17.619 27.895 1.00 14.19 H ATOM 837 H3 MET A 1 25.945 19.174 28.002 1.00 14.24 H ATOM 838 HA MET A 1 23.786 18.318 27.418 1.00 14.01 H ATOM 839 HB2 MET A 1 24.190 18.010 25.106 1.00 14.36 H ATOM 840 HB3 MET A 1 25.508 19.019 25.678 1.00 14.32 H ATOM 841 HG2 MET A 1 26.492 16.416 26.000 1.00 14.58 H ATOM 842 HG3 MET A 1 25.623 16.342 24.476 1.00 14.67 H ATOM 843 HE1 MET A 1 27.807 18.272 26.725 1.00 15.65 H ATOM 844 HE2 MET A 1 29.034 17.179 26.092 1.00 15.77 H ATOM 845 HE3 MET A 1 29.145 18.906 25.759 1.00 15.78 H ATOM 846 N LYS A 2 24.149 15.512 26.362 1.00 13.23 N ATOM 847 CA LYS A 2 23.796 14.056 26.475 1.00 13.03 C ATOM 848 C LYS A 2 22.653 13.869 27.473 1.00 12.32 C ATOM 849 O LYS A 2 21.831 13.007 27.262 1.00 12.12 O ATOM 850 CB LYS A 2 24.962 13.086 26.852 1.00 13.33 C ATOM 851 CG LYS A 2 26.116 13.734 27.644 1.00 13.85 C ATOM 852 CD LYS A 2 25.839 13.700 29.168 1.00 14.27 C ATOM 853 CE LYS A 2 26.515 14.887 29.901 1.00 14.98 C ATOM 854 NZ LYS A 2 25.478 15.664 30.632 1.00 15.42 N ATOM 855 H LYS A 2 24.183 15.916 25.471 1.00 13.31 H ATOM 856 HA LYS A 2 23.415 13.753 25.505 1.00 13.38 H ATOM 857 HB2 LYS A 2 24.563 12.272 27.443 1.00 13.51 H ATOM 858 HB3 LYS A 2 25.363 12.662 25.940 1.00 13.18 H ATOM 859 HG2 LYS A 2 27.024 13.181 27.444 1.00 13.79 H ATOM 860 HG3 LYS A 2 26.255 14.736 27.317 1.00 14.17 H ATOM 861 HD2 LYS A 2 24.774 13.737 29.341 1.00 14.38 H ATOM 862 HD3 LYS A 2 26.219 12.770 29.573 1.00 14.14 H ATOM 863 HE2 LYS A 2 27.242 14.519 30.612 1.00 15.17 H ATOM 864 HE3 LYS A 2 27.013 15.542 29.202 1.00 15.13 H ATOM 865 HZ1 LYS A 2 24.535 15.337 30.344 1.00 15.50 H ATOM 866 HZ2 LYS A 2 25.598 15.528 31.656 1.00 15.67 H ATOM 867 HZ3 LYS A 2 25.577 16.673 30.400 1.00 15.54 H ATOM 868 N ASN A 3 22.619 14.608 28.563 1.00 12.13 N ATOM 869 CA ASN A 3 21.560 14.394 29.581 1.00 11.64 C ATOM 870 C ASN A 3 21.879 12.999 30.118 1.00 11.26 C ATOM 871 O ASN A 3 22.197 12.147 29.326 1.00 11.26 O ATOM 872 CB ASN A 3 20.183 14.462 28.889 1.00 11.79 C ATOM 873 CG ASN A 3 19.059 14.689 29.901 1.00 12.21 C ATOM 874 OD1 ASN A 3 19.259 15.303 30.927 1.00 12.30 O ATOM 875 ND2 ASN A 3 17.865 14.227 29.634 1.00 12.66 N ATOM 876 H ASN A 3 23.322 15.263 28.734 1.00 12.43 H ATOM 877 HA ASN A 3 21.635 15.133 30.368 1.00 11.68 H ATOM 878 HB2 ASN A 3 20.182 15.279 28.182 1.00 11.97 H ATOM 879 HB3 ASN A 3 19.994 13.547 28.362 1.00 11.64 H ATOM 880 HD21 ASN A 3 17.702 13.746 28.794 1.00 12.72 H ATOM 881 HD22 ASN A 3 17.132 14.359 30.271 1.00 13.05 H ATOM 882 N GLY A 4 21.846 12.718 31.410 1.00 11.10 N ATOM 883 CA GLY A 4 22.185 11.307 31.858 1.00 10.96 C ATOM 884 C GLY A 4 21.436 10.403 30.889 1.00 10.36 C ATOM 885 O GLY A 4 20.249 10.210 31.043 1.00 10.42 O ATOM 886 H GLY A 4 21.599 13.404 32.065 1.00 11.21 H ATOM 887 HA2 GLY A 4 23.251 11.137 31.795 1.00 11.34 H ATOM 888 HA3 GLY A 4 21.833 11.139 32.865 1.00 11.09 H ATOM 889 N GLU A 5 22.076 9.995 29.801 1.00 9.96 N ATOM 890 CA GLU A 5 21.321 9.305 28.714 1.00 9.57 C ATOM 891 C GLU A 5 20.183 10.300 28.470 1.00 8.69 C ATOM 892 O GLU A 5 20.376 11.321 27.849 1.00 8.54 O ATOM 893 CB GLU A 5 20.839 7.912 29.134 1.00 9.94 C ATOM 894 CG GLU A 5 20.316 7.137 27.896 1.00 10.25 C ATOM 895 CD GLU A 5 21.003 5.768 27.787 1.00 10.70 C ATOM 896 OE1 GLU A 5 20.782 4.944 28.658 1.00 11.08 O ATOM 897 OE2 GLU A 5 21.739 5.569 26.833 1.00 10.85 O ATOM 898 H GLU A 5 23.011 10.237 29.632 1.00 10.05 H ATOM 899 HA GLU A 5 21.947 9.249 27.832 1.00 9.87 H ATOM 900 HB2 GLU A 5 21.672 7.384 29.579 1.00 10.14 H ATOM 901 HB3 GLU A 5 20.053 8.006 29.867 1.00 10.02 H ATOM 902 HG2 GLU A 5 19.250 6.989 27.988 1.00 10.33 H ATOM 903 HG3 GLU A 5 20.509 7.695 26.989 1.00 10.32 H ATOM 904 N GLN A 6 19.068 10.100 29.101 1.00 8.29 N ATOM 905 CA GLN A 6 17.987 11.124 29.092 1.00 7.67 C ATOM 906 C GLN A 6 17.758 11.357 30.591 1.00 6.90 C ATOM 907 O GLN A 6 16.824 10.829 31.159 1.00 7.00 O ATOM 908 CB GLN A 6 16.723 10.615 28.396 1.00 7.96 C ATOM 909 CG GLN A 6 17.110 9.889 27.107 1.00 8.48 C ATOM 910 CD GLN A 6 17.942 10.824 26.223 1.00 8.97 C ATOM 911 OE1 GLN A 6 17.597 11.974 26.037 1.00 9.14 O ATOM 912 NE2 GLN A 6 19.031 10.373 25.663 1.00 9.46 N ATOM 913 H GLN A 6 18.973 9.315 29.678 1.00 8.54 H ATOM 914 HA GLN A 6 18.325 12.040 28.630 1.00 7.88 H ATOM 915 HB2 GLN A 6 16.184 9.950 29.045 1.00 8.18 H ATOM 916 HB3 GLN A 6 16.095 11.456 28.149 1.00 7.89 H ATOM 917 HG2 GLN A 6 17.689 9.008 27.348 1.00 8.50 H ATOM 918 HG3 GLN A 6 16.216 9.600 26.578 1.00 8.77 H ATOM 919 HE21 GLN A 6 19.308 9.445 25.809 1.00 9.51 H ATOM 920 HE22 GLN A 6 19.572 10.962 25.096 1.00 9.93 H ATOM 921 N ASN A 7 18.693 12.057 31.238 1.00 6.41 N ATOM 922 CA ASN A 7 18.674 12.264 32.736 1.00 5.94 C ATOM 923 C ASN A 7 17.327 11.902 33.322 1.00 4.96 C ATOM 924 O ASN A 7 16.390 12.676 33.300 1.00 5.02 O ATOM 925 CB ASN A 7 19.012 13.698 33.135 1.00 6.51 C ATOM 926 CG ASN A 7 19.106 13.757 34.663 1.00 6.80 C ATOM 927 OD1 ASN A 7 19.274 14.814 35.237 1.00 6.88 O ATOM 928 ND2 ASN A 7 18.989 12.651 35.350 1.00 7.33 N ATOM 929 H ASN A 7 19.463 12.389 30.731 1.00 6.59 H ATOM 930 HA ASN A 7 19.413 11.607 33.171 1.00 6.24 H ATOM 931 HB2 ASN A 7 19.957 13.986 32.699 1.00 6.87 H ATOM 932 HB3 ASN A 7 18.231 14.363 32.801 1.00 6.72 H ATOM 933 HD21 ASN A 7 18.842 11.800 34.885 1.00 7.50 H ATOM 934 HD22 ASN A 7 19.045 12.671 36.328 1.00 7.75 H ATOM 935 N GLY A 8 17.209 10.683 33.754 1.00 4.37 N ATOM 936 CA GLY A 8 15.905 10.188 34.240 1.00 3.74 C ATOM 937 C GLY A 8 15.339 9.463 33.035 1.00 2.69 C ATOM 938 O GLY A 8 14.237 9.745 32.604 1.00 2.86 O ATOM 939 H GLY A 8 17.949 10.047 33.673 1.00 4.60 H ATOM 940 HA2 GLY A 8 16.035 9.512 35.073 1.00 3.86 H ATOM 941 HA3 GLY A 8 15.253 11.005 34.511 1.00 4.32 H ATOM 942 N PRO A 9 16.131 8.571 32.460 1.00 2.10 N ATOM 943 CA PRO A 9 15.774 7.813 31.244 1.00 1.65 C ATOM 944 C PRO A 9 14.274 7.794 31.050 1.00 1.27 C ATOM 945 O PRO A 9 13.564 7.194 31.828 1.00 1.27 O ATOM 946 CB PRO A 9 16.344 6.433 31.550 1.00 2.33 C ATOM 947 CG PRO A 9 17.584 6.706 32.362 1.00 2.84 C ATOM 948 CD PRO A 9 17.465 8.147 32.910 1.00 2.69 C ATOM 949 HA PRO A 9 16.269 8.221 30.384 1.00 1.96 H ATOM 950 HB2 PRO A 9 15.629 5.853 32.119 1.00 2.65 H ATOM 951 HB3 PRO A 9 16.598 5.922 30.633 1.00 2.70 H ATOM 952 HG2 PRO A 9 17.654 5.998 33.178 1.00 3.45 H ATOM 953 HG3 PRO A 9 18.465 6.627 31.738 1.00 3.25 H ATOM 954 HD2 PRO A 9 17.529 8.150 33.988 1.00 3.32 H ATOM 955 HD3 PRO A 9 18.222 8.784 32.479 1.00 2.87 H ATOM 956 N THR A 10 13.778 8.468 30.045 1.00 1.09 N ATOM 957 CA THR A 10 12.307 8.483 29.860 1.00 0.77 C ATOM 958 C THR A 10 11.882 7.025 29.862 1.00 0.65 C ATOM 959 O THR A 10 11.975 6.324 28.874 1.00 0.69 O ATOM 960 CB THR A 10 11.936 9.183 28.549 1.00 0.74 C ATOM 961 OG1 THR A 10 12.797 10.297 28.355 1.00 0.86 O ATOM 962 CG2 THR A 10 10.492 9.679 28.635 1.00 0.60 C ATOM 963 H THR A 10 14.363 8.950 29.426 1.00 1.27 H ATOM 964 HA THR A 10 11.851 8.991 30.699 1.00 0.80 H ATOM 965 HB THR A 10 12.033 8.496 27.723 1.00 0.89 H ATOM 966 HG1 THR A 10 13.172 10.233 27.474 1.00 1.31 H ATOM 967 HG21 THR A 10 10.393 10.352 29.475 1.00 1.21 H ATOM 968 HG22 THR A 10 10.234 10.200 27.726 1.00 1.14 H ATOM 969 HG23 THR A 10 9.832 8.837 28.773 1.00 1.19 H ATOM 970 N THR A 11 11.476 6.562 31.008 1.00 0.56 N ATOM 971 CA THR A 11 11.098 5.145 31.183 1.00 0.51 C ATOM 972 C THR A 11 9.664 5.116 31.682 1.00 0.46 C ATOM 973 O THR A 11 9.338 5.676 32.710 1.00 0.51 O ATOM 974 CB THR A 11 12.042 4.556 32.238 1.00 0.56 C ATOM 975 OG1 THR A 11 13.370 4.565 31.737 1.00 0.64 O ATOM 976 CG2 THR A 11 11.635 3.128 32.578 1.00 0.61 C ATOM 977 H THR A 11 11.425 7.141 31.797 1.00 0.58 H ATOM 978 HA THR A 11 11.186 4.598 30.255 1.00 0.54 H ATOM 979 HB THR A 11 11.995 5.159 33.132 1.00 0.59 H ATOM 980 HG1 THR A 11 13.771 5.404 31.976 1.00 1.22 H ATOM 981 HG21 THR A 11 11.440 2.585 31.667 1.00 1.18 H ATOM 982 HG22 THR A 11 12.435 2.646 33.121 1.00 1.21 H ATOM 983 HG23 THR A 11 10.747 3.150 33.191 1.00 1.16 H ATOM 984 N CYS A 12 8.799 4.493 30.948 1.00 0.41 N ATOM 985 CA CYS A 12 7.379 4.456 31.361 1.00 0.37 C ATOM 986 C CYS A 12 7.270 4.023 32.821 1.00 0.39 C ATOM 987 O CYS A 12 7.498 2.879 33.159 1.00 0.41 O ATOM 988 CB CYS A 12 6.640 3.466 30.473 1.00 0.35 C ATOM 989 SG CYS A 12 4.875 3.836 30.510 1.00 0.32 S ATOM 990 H CYS A 12 9.082 4.067 30.112 1.00 0.43 H ATOM 991 HA CYS A 12 6.944 5.437 31.242 1.00 0.36 H ATOM 992 HB2 CYS A 12 7.008 3.551 29.463 1.00 0.35 H ATOM 993 HB3 CYS A 12 6.806 2.459 30.830 1.00 0.36 H ATOM 994 N THR A 13 6.888 4.923 33.680 1.00 0.40 N ATOM 995 CA THR A 13 6.733 4.554 35.109 1.00 0.43 C ATOM 996 C THR A 13 5.604 3.534 35.209 1.00 0.43 C ATOM 997 O THR A 13 5.336 2.989 36.262 1.00 0.47 O ATOM 998 CB THR A 13 6.384 5.794 35.938 1.00 0.45 C ATOM 999 OG1 THR A 13 5.301 6.480 35.327 1.00 0.48 O ATOM 1000 CG2 THR A 13 7.598 6.719 36.022 1.00 0.48 C ATOM 1001 H THR A 13 6.676 5.831 33.377 1.00 0.39 H ATOM 1002 HA THR A 13 7.652 4.117 35.474 1.00 0.45 H ATOM 1003 HB THR A 13 6.100 5.491 36.935 1.00 0.47 H ATOM 1004 HG1 THR A 13 4.489 6.030 35.572 1.00 1.05 H ATOM 1005 HG21 THR A 13 8.468 6.148 36.310 1.00 1.10 H ATOM 1006 HG22 THR A 13 7.769 7.175 35.059 1.00 1.11 H ATOM 1007 HG23 THR A 13 7.414 7.489 36.757 1.00 1.13 H ATOM 1008 N ASN A 14 4.930 3.278 34.114 1.00 0.39 N ATOM 1009 CA ASN A 14 3.802 2.301 34.122 1.00 0.41 C ATOM 1010 C ASN A 14 4.229 0.964 33.504 1.00 0.41 C ATOM 1011 O ASN A 14 3.797 -0.076 33.955 1.00 0.44 O ATOM 1012 CB ASN A 14 2.636 2.871 33.312 1.00 0.40 C ATOM 1013 CG ASN A 14 1.982 4.018 34.085 1.00 0.42 C ATOM 1014 OD1 ASN A 14 1.022 4.605 33.627 1.00 1.08 O ATOM 1015 ND2 ASN A 14 2.469 4.371 35.243 1.00 1.26 N ATOM 1016 H ASN A 14 5.160 3.725 33.272 1.00 0.37 H ATOM 1017 HA ASN A 14 3.471 2.132 35.137 1.00 0.44 H ATOM 1018 HB2 ASN A 14 3.005 3.240 32.365 1.00 0.37 H ATOM 1019 HB3 ASN A 14 1.906 2.096 33.137 1.00 0.43 H ATOM 1020 HD21 ASN A 14 3.247 3.903 35.610 1.00 2.07 H ATOM 1021 HD22 ASN A 14 2.055 5.104 35.745 1.00 1.28 H ATOM 1022 N CYS A 15 5.043 0.961 32.469 1.00 0.39 N ATOM 1023 CA CYS A 15 5.443 -0.345 31.840 1.00 0.40 C ATOM 1024 C CYS A 15 6.936 -0.367 31.488 1.00 0.41 C ATOM 1025 O CYS A 15 7.390 -1.220 30.757 1.00 0.45 O ATOM 1026 CB CYS A 15 4.592 -0.602 30.588 1.00 0.38 C ATOM 1027 SG CYS A 15 5.168 0.398 29.191 1.00 0.34 S ATOM 1028 H CYS A 15 5.371 1.806 32.092 1.00 0.37 H ATOM 1029 HA CYS A 15 5.263 -1.148 32.542 1.00 0.44 H ATOM 1030 HB2 CYS A 15 4.656 -1.646 30.324 1.00 0.40 H ATOM 1031 HB3 CYS A 15 3.562 -0.354 30.804 1.00 0.38 H ATOM 1032 N PHE A 16 7.706 0.534 32.034 1.00 0.41 N ATOM 1033 CA PHE A 16 9.183 0.553 31.787 1.00 0.45 C ATOM 1034 C PHE A 16 9.543 0.710 30.304 1.00 0.41 C ATOM 1035 O PHE A 16 10.707 0.714 29.956 1.00 0.43 O ATOM 1036 CB PHE A 16 9.823 -0.741 32.300 1.00 0.53 C ATOM 1037 CG PHE A 16 9.488 -0.943 33.756 1.00 0.88 C ATOM 1038 CD1 PHE A 16 10.220 -0.269 34.750 1.00 1.38 C ATOM 1039 CD2 PHE A 16 8.448 -1.816 34.120 1.00 1.62 C ATOM 1040 CE1 PHE A 16 9.910 -0.467 36.106 1.00 2.15 C ATOM 1041 CE2 PHE A 16 8.139 -2.014 35.476 1.00 2.33 C ATOM 1042 CZ PHE A 16 8.870 -1.339 36.469 1.00 2.51 C ATOM 1043 H PHE A 16 7.322 1.198 32.645 1.00 0.41 H ATOM 1044 HA PHE A 16 9.603 1.378 32.333 1.00 0.46 H ATOM 1045 HB2 PHE A 16 9.459 -1.579 31.726 1.00 1.10 H ATOM 1046 HB3 PHE A 16 10.895 -0.673 32.189 1.00 0.85 H ATOM 1047 HD1 PHE A 16 11.020 0.402 34.471 1.00 1.55 H ATOM 1048 HD2 PHE A 16 7.885 -2.334 33.357 1.00 1.91 H ATOM 1049 HE1 PHE A 16 10.471 0.051 36.870 1.00 2.69 H ATOM 1050 HE2 PHE A 16 7.341 -2.685 35.756 1.00 2.94 H ATOM 1051 HZ PHE A 16 8.633 -1.492 37.510 1.00 3.17 H ATOM 1052 N THR A 17 8.596 0.811 29.415 1.00 0.38 N ATOM 1053 CA THR A 17 8.971 0.929 27.974 1.00 0.37 C ATOM 1054 C THR A 17 9.941 2.096 27.781 1.00 0.36 C ATOM 1055 O THR A 17 9.710 3.189 28.252 1.00 0.37 O ATOM 1056 CB THR A 17 7.718 1.175 27.128 1.00 0.36 C ATOM 1057 OG1 THR A 17 6.884 0.028 27.173 1.00 0.38 O ATOM 1058 CG2 THR A 17 8.116 1.458 25.677 1.00 0.40 C ATOM 1059 H THR A 17 7.652 0.764 29.677 1.00 0.37 H ATOM 1060 HA THR A 17 9.445 0.014 27.652 1.00 0.38 H ATOM 1061 HB THR A 17 7.181 2.025 27.521 1.00 0.35 H ATOM 1062 HG1 THR A 17 7.059 -0.496 26.387 1.00 0.95 H ATOM 1063 HG21 THR A 17 8.843 0.728 25.355 1.00 1.07 H ATOM 1064 HG22 THR A 17 7.242 1.400 25.046 1.00 1.08 H ATOM 1065 HG23 THR A 17 8.545 2.447 25.607 1.00 1.08 H ATOM 1066 N GLN A 18 11.027 1.861 27.085 1.00 0.37 N ATOM 1067 CA GLN A 18 12.034 2.938 26.833 1.00 0.39 C ATOM 1068 C GLN A 18 11.927 3.372 25.370 1.00 0.39 C ATOM 1069 O GLN A 18 12.298 4.470 25.003 1.00 0.42 O ATOM 1070 CB GLN A 18 13.442 2.382 27.059 1.00 0.44 C ATOM 1071 CG GLN A 18 13.594 1.891 28.499 1.00 1.50 C ATOM 1072 CD GLN A 18 14.958 1.218 28.654 1.00 1.98 C ATOM 1073 OE1 GLN A 18 15.116 0.317 29.453 1.00 2.23 O ATOM 1074 NE2 GLN A 18 15.954 1.610 27.909 1.00 2.85 N ATOM 1075 H GLN A 18 11.179 0.965 26.719 1.00 0.39 H ATOM 1076 HA GLN A 18 11.861 3.782 27.485 1.00 0.40 H ATOM 1077 HB2 GLN A 18 13.616 1.560 26.380 1.00 1.11 H ATOM 1078 HB3 GLN A 18 14.167 3.160 26.870 1.00 1.12 H ATOM 1079 HG2 GLN A 18 13.525 2.730 29.177 1.00 2.18 H ATOM 1080 HG3 GLN A 18 12.816 1.178 28.724 1.00 2.13 H ATOM 1081 HE21 GLN A 18 15.826 2.331 27.257 1.00 3.26 H ATOM 1082 HE22 GLN A 18 16.831 1.182 27.999 1.00 3.36 H ATOM 1083 N THR A 19 11.433 2.501 24.533 1.00 0.38 N ATOM 1084 CA THR A 19 11.302 2.820 23.081 1.00 0.39 C ATOM 1085 C THR A 19 9.856 3.205 22.774 1.00 0.34 C ATOM 1086 O THR A 19 8.936 2.477 23.090 1.00 0.33 O ATOM 1087 CB THR A 19 11.670 1.571 22.266 1.00 0.42 C ATOM 1088 OG1 THR A 19 12.922 1.076 22.720 1.00 0.48 O ATOM 1089 CG2 THR A 19 11.771 1.907 20.768 1.00 0.43 C ATOM 1090 H THR A 19 11.153 1.621 24.860 1.00 0.40 H ATOM 1091 HA THR A 19 11.962 3.633 22.815 1.00 0.42 H ATOM 1092 HB THR A 19 10.913 0.812 22.416 1.00 0.41 H ATOM 1093 HG1 THR A 19 13.613 1.500 22.206 1.00 0.90 H ATOM 1094 HG21 THR A 19 11.276 2.845 20.558 1.00 1.12 H ATOM 1095 HG22 THR A 19 12.812 1.984 20.491 1.00 1.09 H ATOM 1096 HG23 THR A 19 11.307 1.123 20.186 1.00 1.05 H ATOM 1097 N THR A 20 9.635 4.332 22.150 1.00 0.33 N ATOM 1098 CA THR A 20 8.233 4.717 21.827 1.00 0.30 C ATOM 1099 C THR A 20 8.211 5.868 20.804 1.00 0.31 C ATOM 1100 O THR A 20 9.054 6.743 20.841 1.00 0.34 O ATOM 1101 CB THR A 20 7.518 5.166 23.108 1.00 0.29 C ATOM 1102 OG1 THR A 20 6.275 5.762 22.766 1.00 0.34 O ATOM 1103 CG2 THR A 20 8.378 6.182 23.871 1.00 0.38 C ATOM 1104 H THR A 20 10.382 4.909 21.886 1.00 0.34 H ATOM 1105 HA THR A 20 7.734 3.850 21.426 1.00 0.30 H ATOM 1106 HB THR A 20 7.341 4.307 23.738 1.00 0.36 H ATOM 1107 HG1 THR A 20 5.697 5.703 23.531 1.00 0.89 H ATOM 1108 HG21 THR A 20 8.884 6.834 23.173 1.00 1.06 H ATOM 1109 HG22 THR A 20 7.745 6.775 24.516 1.00 1.09 H ATOM 1110 HG23 THR A 20 9.109 5.659 24.469 1.00 1.12 H ATOM 1111 N PRO A 21 7.249 5.887 19.907 1.00 0.29 N ATOM 1112 CA PRO A 21 7.123 6.971 18.885 1.00 0.30 C ATOM 1113 C PRO A 21 6.860 8.337 19.532 1.00 0.27 C ATOM 1114 O PRO A 21 7.101 9.369 18.939 1.00 0.31 O ATOM 1115 CB PRO A 21 5.928 6.534 18.019 1.00 0.36 C ATOM 1116 CG PRO A 21 5.150 5.595 18.881 1.00 0.29 C ATOM 1117 CD PRO A 21 6.181 4.885 19.753 1.00 0.27 C ATOM 1118 HA PRO A 21 8.012 7.016 18.278 1.00 0.34 H ATOM 1119 HB2 PRO A 21 5.321 7.386 17.740 1.00 0.51 H ATOM 1120 HB3 PRO A 21 6.273 6.019 17.134 1.00 0.49 H ATOM 1121 HG2 PRO A 21 4.452 6.147 19.498 1.00 0.43 H ATOM 1122 HG3 PRO A 21 4.623 4.871 18.278 1.00 0.36 H ATOM 1123 HD2 PRO A 21 5.755 4.627 20.708 1.00 0.27 H ATOM 1124 HD3 PRO A 21 6.564 4.008 19.254 1.00 0.30 H ATOM 1125 N VAL A 22 6.372 8.352 20.743 1.00 0.26 N ATOM 1126 CA VAL A 22 6.104 9.656 21.412 1.00 0.29 C ATOM 1127 C VAL A 22 5.816 9.438 22.898 1.00 0.28 C ATOM 1128 O VAL A 22 5.289 8.423 23.308 1.00 0.29 O ATOM 1129 CB VAL A 22 4.909 10.347 20.757 1.00 0.38 C ATOM 1130 CG1 VAL A 22 3.647 9.510 20.971 1.00 0.45 C ATOM 1131 CG2 VAL A 22 4.725 11.728 21.392 1.00 0.47 C ATOM 1132 H VAL A 22 6.184 7.511 21.209 1.00 0.28 H ATOM 1133 HA VAL A 22 6.975 10.287 21.312 1.00 0.33 H ATOM 1134 HB VAL A 22 5.093 10.458 19.698 1.00 0.41 H ATOM 1135 HG11 VAL A 22 3.863 8.473 20.759 1.00 1.13 H ATOM 1136 HG12 VAL A 22 3.317 9.607 21.995 1.00 1.08 H ATOM 1137 HG13 VAL A 22 2.868 9.858 20.308 1.00 1.15 H ATOM 1138 HG21 VAL A 22 5.656 12.274 21.339 1.00 1.14 H ATOM 1139 HG22 VAL A 22 3.961 12.270 20.859 1.00 0.96 H ATOM 1140 HG23 VAL A 22 4.433 11.615 22.425 1.00 1.07 H ATOM 1141 N TRP A 23 6.174 10.401 23.701 1.00 0.30 N ATOM 1142 CA TRP A 23 5.950 10.296 25.174 1.00 0.29 C ATOM 1143 C TRP A 23 4.677 11.045 25.581 1.00 0.30 C ATOM 1144 O TRP A 23 4.432 12.155 25.153 1.00 0.33 O ATOM 1145 CB TRP A 23 7.151 10.898 25.901 1.00 0.31 C ATOM 1146 CG TRP A 23 8.334 10.005 25.715 1.00 0.31 C ATOM 1147 CD1 TRP A 23 9.374 10.248 24.884 1.00 0.35 C ATOM 1148 CD2 TRP A 23 8.613 8.728 26.356 1.00 0.33 C ATOM 1149 NE1 TRP A 23 10.282 9.211 24.983 1.00 0.38 N ATOM 1150 CE2 TRP A 23 9.861 8.248 25.876 1.00 0.36 C ATOM 1151 CE3 TRP A 23 7.916 7.948 27.304 1.00 0.35 C ATOM 1152 CZ2 TRP A 23 10.398 7.035 26.322 1.00 0.41 C ATOM 1153 CZ3 TRP A 23 8.454 6.728 27.755 1.00 0.40 C ATOM 1154 CH2 TRP A 23 9.692 6.275 27.265 1.00 0.42 C ATOM 1155 H TRP A 23 6.592 11.197 23.313 1.00 0.33 H ATOM 1156 HA TRP A 23 5.853 9.256 25.455 1.00 0.27 H ATOM 1157 HB2 TRP A 23 7.368 11.874 25.492 1.00 0.33 H ATOM 1158 HB3 TRP A 23 6.928 10.988 26.954 1.00 0.32 H ATOM 1159 HD1 TRP A 23 9.480 11.114 24.250 1.00 0.38 H ATOM 1160 HE1 TRP A 23 11.126 9.149 24.489 1.00 0.42 H ATOM 1161 HE3 TRP A 23 6.965 8.290 27.685 1.00 0.35 H ATOM 1162 HZ2 TRP A 23 11.349 6.689 25.946 1.00 0.44 H ATOM 1163 HZ3 TRP A 23 7.914 6.138 28.481 1.00 0.44 H ATOM 1164 HH2 TRP A 23 10.103 5.344 27.615 1.00 0.47 H ATOM 1165 N ARG A 24 3.880 10.447 26.431 1.00 0.30 N ATOM 1166 CA ARG A 24 2.628 11.111 26.911 1.00 0.33 C ATOM 1167 C ARG A 24 2.854 11.585 28.344 1.00 0.40 C ATOM 1168 O ARG A 24 3.879 11.318 28.941 1.00 0.41 O ATOM 1169 CB ARG A 24 1.462 10.114 26.925 1.00 0.32 C ATOM 1170 CG ARG A 24 1.091 9.658 25.511 1.00 0.30 C ATOM 1171 CD ARG A 24 0.220 10.700 24.800 1.00 0.31 C ATOM 1172 NE ARG A 24 0.085 10.329 23.363 1.00 0.32 N ATOM 1173 CZ ARG A 24 -0.909 10.794 22.657 1.00 0.36 C ATOM 1174 NH1 ARG A 24 -1.828 11.528 23.222 1.00 0.37 N ATOM 1175 NH2 ARG A 24 -0.994 10.506 21.387 1.00 0.41 N ATOM 1176 H ARG A 24 4.119 9.561 26.775 1.00 0.29 H ATOM 1177 HA ARG A 24 2.388 11.957 26.286 1.00 0.33 H ATOM 1178 HB2 ARG A 24 1.746 9.251 27.511 1.00 0.34 H ATOM 1179 HB3 ARG A 24 0.604 10.583 27.382 1.00 0.35 H ATOM 1180 HG2 ARG A 24 1.990 9.491 24.938 1.00 0.31 H ATOM 1181 HG3 ARG A 24 0.533 8.737 25.583 1.00 0.31 H ATOM 1182 HD2 ARG A 24 -0.757 10.720 25.267 1.00 0.32 H ATOM 1183 HD3 ARG A 24 0.673 11.673 24.859 1.00 0.34 H ATOM 1184 HE ARG A 24 0.755 9.750 22.943 1.00 0.34 H ATOM 1185 HH11 ARG A 24 -1.772 11.736 24.198 1.00 0.35 H ATOM 1186 HH12 ARG A 24 -2.588 11.882 22.678 1.00 0.41 H ATOM 1187 HH21 ARG A 24 -0.298 9.931 20.957 1.00 0.43 H ATOM 1188 HH22 ARG A 24 -1.754 10.861 20.844 1.00 0.45 H ATOM 1189 N ARG A 25 1.896 12.268 28.909 1.00 0.47 N ATOM 1190 CA ARG A 25 2.035 12.745 30.315 1.00 0.56 C ATOM 1191 C ARG A 25 0.692 12.588 31.027 1.00 0.55 C ATOM 1192 O ARG A 25 -0.331 12.383 30.404 1.00 0.55 O ATOM 1193 CB ARG A 25 2.455 14.217 30.338 1.00 0.62 C ATOM 1194 CG ARG A 25 3.738 14.411 29.514 1.00 1.05 C ATOM 1195 CD ARG A 25 4.489 15.665 29.987 1.00 1.15 C ATOM 1196 NE ARG A 25 5.240 16.253 28.839 1.00 1.99 N ATOM 1197 CZ ARG A 25 5.790 17.427 28.953 1.00 2.50 C ATOM 1198 NH1 ARG A 25 5.756 18.050 30.094 1.00 2.61 N ATOM 1199 NH2 ARG A 25 6.386 17.971 27.931 1.00 3.42 N ATOM 1200 H ARG A 25 1.073 12.453 28.410 1.00 0.48 H ATOM 1201 HA ARG A 25 2.778 12.153 30.834 1.00 0.61 H ATOM 1202 HB2 ARG A 25 1.663 14.821 29.919 1.00 1.19 H ATOM 1203 HB3 ARG A 25 2.633 14.519 31.360 1.00 0.93 H ATOM 1204 HG2 ARG A 25 4.377 13.546 29.627 1.00 1.54 H ATOM 1205 HG3 ARG A 25 3.477 14.527 28.472 1.00 1.70 H ATOM 1206 HD2 ARG A 25 3.790 16.397 30.361 1.00 1.33 H ATOM 1207 HD3 ARG A 25 5.174 15.395 30.780 1.00 1.58 H ATOM 1208 HE ARG A 25 5.296 15.771 27.988 1.00 2.59 H ATOM 1209 HH11 ARG A 25 5.308 17.624 30.879 1.00 2.34 H ATOM 1210 HH12 ARG A 25 6.179 18.951 30.185 1.00 3.33 H ATOM 1211 HH21 ARG A 25 6.421 17.485 27.058 1.00 3.82 H ATOM 1212 HH22 ARG A 25 6.808 18.873 28.020 1.00 3.93 H ATOM 1213 N ASN A 26 0.695 12.682 32.329 1.00 0.57 N ATOM 1214 CA ASN A 26 -0.566 12.542 33.119 1.00 0.60 C ATOM 1215 C ASN A 26 -0.687 13.771 34.035 1.00 0.59 C ATOM 1216 O ASN A 26 0.316 14.268 34.500 1.00 0.56 O ATOM 1217 CB ASN A 26 -0.458 11.267 33.966 1.00 0.64 C ATOM 1218 CG ASN A 26 -1.844 10.817 34.429 1.00 0.80 C ATOM 1219 OD1 ASN A 26 -2.721 10.582 33.622 1.00 1.53 O ATOM 1220 ND2 ASN A 26 -2.082 10.687 35.705 1.00 1.27 N ATOM 1221 H ASN A 26 1.539 12.849 32.798 1.00 0.57 H ATOM 1222 HA ASN A 26 -1.415 12.472 32.459 1.00 0.63 H ATOM 1223 HB2 ASN A 26 -0.012 10.483 33.373 1.00 0.73 H ATOM 1224 HB3 ASN A 26 0.162 11.456 34.830 1.00 0.71 H ATOM 1225 HD21 ASN A 26 -1.376 10.876 36.358 1.00 1.93 H ATOM 1226 HD22 ASN A 26 -2.968 10.400 36.011 1.00 1.38 H ATOM 1227 N PRO A 27 -1.877 14.271 34.304 1.00 0.63 N ATOM 1228 CA PRO A 27 -2.058 15.455 35.201 1.00 0.65 C ATOM 1229 C PRO A 27 -1.222 15.393 36.492 1.00 0.62 C ATOM 1230 O PRO A 27 -1.240 16.315 37.282 1.00 0.65 O ATOM 1231 CB PRO A 27 -3.552 15.428 35.531 1.00 0.73 C ATOM 1232 CG PRO A 27 -4.189 14.816 34.329 1.00 0.84 C ATOM 1233 CD PRO A 27 -3.180 13.800 33.782 1.00 0.70 C ATOM 1234 HA PRO A 27 -1.832 16.362 34.661 1.00 0.67 H ATOM 1235 HB2 PRO A 27 -3.734 14.819 36.408 1.00 0.78 H ATOM 1236 HB3 PRO A 27 -3.926 16.430 35.683 1.00 0.79 H ATOM 1237 HG2 PRO A 27 -5.112 14.323 34.607 1.00 1.02 H ATOM 1238 HG3 PRO A 27 -4.384 15.574 33.584 1.00 1.00 H ATOM 1239 HD2 PRO A 27 -3.410 12.811 34.148 1.00 0.73 H ATOM 1240 HD3 PRO A 27 -3.183 13.818 32.703 1.00 0.73 H ATOM 1241 N GLU A 28 -0.472 14.340 36.701 1.00 0.60 N ATOM 1242 CA GLU A 28 0.388 14.249 37.923 1.00 0.61 C ATOM 1243 C GLU A 28 1.824 14.612 37.537 1.00 0.59 C ATOM 1244 O GLU A 28 2.643 14.937 38.374 1.00 0.63 O ATOM 1245 CB GLU A 28 0.330 12.826 38.483 1.00 0.63 C ATOM 1246 CG GLU A 28 -1.059 12.573 39.074 1.00 0.87 C ATOM 1247 CD GLU A 28 -1.128 11.155 39.636 1.00 1.50 C ATOM 1248 OE1 GLU A 28 -0.158 10.431 39.487 1.00 2.16 O ATOM 1249 OE2 GLU A 28 -2.155 10.817 40.200 1.00 2.19 O ATOM 1250 H GLU A 28 -0.433 13.627 36.033 1.00 0.59 H ATOM 1251 HA GLU A 28 0.035 14.943 38.674 1.00 0.65 H ATOM 1252 HB2 GLU A 28 0.515 12.119 37.688 1.00 0.75 H ATOM 1253 HB3 GLU A 28 1.076 12.709 39.254 1.00 0.80 H ATOM 1254 HG2 GLU A 28 -1.249 13.280 39.868 1.00 1.36 H ATOM 1255 HG3 GLU A 28 -1.806 12.687 38.303 1.00 1.37 H ATOM 1256 N GLY A 29 2.122 14.583 36.263 1.00 0.55 N ATOM 1257 CA GLY A 29 3.488 14.952 35.782 1.00 0.55 C ATOM 1258 C GLY A 29 4.390 13.720 35.652 1.00 0.53 C ATOM 1259 O GLY A 29 5.588 13.841 35.489 1.00 0.54 O ATOM 1260 H GLY A 29 1.430 14.333 35.616 1.00 0.54 H ATOM 1261 HA2 GLY A 29 3.397 15.419 34.813 1.00 0.55 H ATOM 1262 HA3 GLY A 29 3.935 15.657 36.467 1.00 0.58 H ATOM 1263 N GLN A 30 3.839 12.536 35.701 1.00 0.51 N ATOM 1264 CA GLN A 30 4.690 11.316 35.555 1.00 0.50 C ATOM 1265 C GLN A 30 4.857 10.999 34.058 1.00 0.47 C ATOM 1266 O GLN A 30 3.904 11.086 33.309 1.00 0.58 O ATOM 1267 CB GLN A 30 4.010 10.126 36.244 1.00 0.51 C ATOM 1268 CG GLN A 30 3.425 10.567 37.586 1.00 1.26 C ATOM 1269 CD GLN A 30 2.758 9.369 38.265 1.00 1.53 C ATOM 1270 OE1 GLN A 30 1.655 8.995 37.917 1.00 2.09 O ATOM 1271 NE2 GLN A 30 3.384 8.747 39.224 1.00 2.03 N ATOM 1272 H GLN A 30 2.870 12.446 35.815 1.00 0.52 H ATOM 1273 HA GLN A 30 5.651 11.495 36.013 1.00 0.52 H ATOM 1274 HB2 GLN A 30 3.217 9.748 35.616 1.00 0.98 H ATOM 1275 HB3 GLN A 30 4.738 9.346 36.412 1.00 1.03 H ATOM 1276 HG2 GLN A 30 4.214 10.948 38.218 1.00 1.82 H ATOM 1277 HG3 GLN A 30 2.689 11.338 37.422 1.00 1.87 H ATOM 1278 HE21 GLN A 30 4.273 9.048 39.504 1.00 2.44 H ATOM 1279 HE22 GLN A 30 2.965 7.978 39.664 1.00 2.41 H ATOM 1280 N PRO A 31 6.032 10.622 33.608 1.00 0.40 N ATOM 1281 CA PRO A 31 6.248 10.284 32.170 1.00 0.39 C ATOM 1282 C PRO A 31 5.621 8.931 31.813 1.00 0.35 C ATOM 1283 O PRO A 31 5.697 7.984 32.570 1.00 0.37 O ATOM 1284 CB PRO A 31 7.775 10.247 32.031 1.00 0.41 C ATOM 1285 CG PRO A 31 8.274 9.881 33.391 1.00 0.72 C ATOM 1286 CD PRO A 31 7.274 10.474 34.391 1.00 0.48 C ATOM 1287 HA PRO A 31 5.842 11.060 31.539 1.00 0.40 H ATOM 1288 HB2 PRO A 31 8.074 9.507 31.299 1.00 0.53 H ATOM 1289 HB3 PRO A 31 8.149 11.222 31.750 1.00 0.65 H ATOM 1290 HG2 PRO A 31 8.314 8.805 33.491 1.00 1.07 H ATOM 1291 HG3 PRO A 31 9.254 10.304 33.559 1.00 1.14 H ATOM 1292 HD2 PRO A 31 7.123 9.800 35.223 1.00 0.51 H ATOM 1293 HD3 PRO A 31 7.610 11.439 34.739 1.00 0.55 H ATOM 1294 N LEU A 32 4.990 8.841 30.670 1.00 0.32 N ATOM 1295 CA LEU A 32 4.336 7.557 30.260 1.00 0.31 C ATOM 1296 C LEU A 32 4.565 7.301 28.770 1.00 0.30 C ATOM 1297 O LEU A 32 4.634 8.220 27.977 1.00 0.31 O ATOM 1298 CB LEU A 32 2.825 7.658 30.497 1.00 0.32 C ATOM 1299 CG LEU A 32 2.517 7.855 31.987 1.00 0.35 C ATOM 1300 CD1 LEU A 32 1.031 8.189 32.146 1.00 0.39 C ATOM 1301 CD2 LEU A 32 2.842 6.575 32.772 1.00 0.37 C ATOM 1302 H LEU A 32 4.945 9.632 30.093 1.00 0.33 H ATOM 1303 HA LEU A 32 4.738 6.733 30.829 1.00 0.31 H ATOM 1304 HB2 LEU A 32 2.438 8.501 29.943 1.00 0.33 H ATOM 1305 HB3 LEU A 32 2.348 6.756 30.147 1.00 0.32 H ATOM 1306 HG LEU A 32 3.106 8.674 32.371 1.00 0.36 H ATOM 1307 HD11 LEU A 32 0.436 7.398 31.713 1.00 1.12 H ATOM 1308 HD12 LEU A 32 0.793 8.286 33.194 1.00 1.07 H ATOM 1309 HD13 LEU A 32 0.816 9.119 31.640 1.00 1.09 H ATOM 1310 HD21 LEU A 32 2.550 5.709 32.195 1.00 1.10 H ATOM 1311 HD22 LEU A 32 3.901 6.532 32.973 1.00 1.15 H ATOM 1312 HD23 LEU A 32 2.304 6.578 33.709 1.00 0.97 H ATOM 1313 N CYS A 33 4.643 6.057 28.374 1.00 0.29 N ATOM 1314 CA CYS A 33 4.819 5.753 26.928 1.00 0.29 C ATOM 1315 C CYS A 33 3.491 6.044 26.230 1.00 0.29 C ATOM 1316 O CYS A 33 2.524 6.409 26.869 1.00 0.32 O ATOM 1317 CB CYS A 33 5.229 4.287 26.736 1.00 0.30 C ATOM 1318 SG CYS A 33 3.811 3.185 26.983 1.00 0.29 S ATOM 1319 H CYS A 33 4.548 5.324 29.017 1.00 0.30 H ATOM 1320 HA CYS A 33 5.584 6.399 26.520 1.00 0.32 H ATOM 1321 HB2 CYS A 33 5.610 4.154 25.734 1.00 0.31 H ATOM 1322 HB3 CYS A 33 6.003 4.040 27.444 1.00 0.32 H ATOM 1323 N ASN A 34 3.422 5.920 24.937 1.00 0.29 N ATOM 1324 CA ASN A 34 2.137 6.231 24.253 1.00 0.30 C ATOM 1325 C ASN A 34 1.075 5.173 24.579 1.00 0.27 C ATOM 1326 O ASN A 34 -0.086 5.485 24.747 1.00 0.28 O ATOM 1327 CB ASN A 34 2.352 6.323 22.739 1.00 0.35 C ATOM 1328 CG ASN A 34 2.474 4.928 22.135 1.00 1.09 C ATOM 1329 OD1 ASN A 34 1.569 4.130 22.243 1.00 1.88 O ATOM 1330 ND2 ASN A 34 3.555 4.608 21.492 1.00 1.86 N ATOM 1331 H ASN A 34 4.206 5.642 24.418 1.00 0.33 H ATOM 1332 HA ASN A 34 1.791 7.185 24.605 1.00 0.32 H ATOM 1333 HB2 ASN A 34 1.512 6.829 22.290 1.00 0.83 H ATOM 1334 HB3 ASN A 34 3.256 6.880 22.538 1.00 0.98 H ATOM 1335 HD21 ASN A 34 4.278 5.263 21.399 1.00 2.25 H ATOM 1336 HD22 ASN A 34 3.648 3.715 21.100 1.00 2.46 H ATOM 1337 N ALA A 35 1.448 3.923 24.636 1.00 0.26 N ATOM 1338 CA ALA A 35 0.438 2.859 24.910 1.00 0.26 C ATOM 1339 C ALA A 35 -0.246 3.076 26.266 1.00 0.26 C ATOM 1340 O ALA A 35 -1.458 3.128 26.347 1.00 0.28 O ATOM 1341 CB ALA A 35 1.129 1.494 24.890 1.00 0.27 C ATOM 1342 H ALA A 35 2.382 3.677 24.470 1.00 0.27 H ATOM 1343 HA ALA A 35 -0.311 2.881 24.132 1.00 0.27 H ATOM 1344 HB1 ALA A 35 1.857 1.473 24.091 1.00 1.03 H ATOM 1345 HB2 ALA A 35 1.626 1.324 25.833 1.00 1.03 H ATOM 1346 HB3 ALA A 35 0.393 0.721 24.724 1.00 1.06 H ATOM 1347 N CYS A 36 0.498 3.195 27.334 1.00 0.26 N ATOM 1348 CA CYS A 36 -0.155 3.395 28.663 1.00 0.28 C ATOM 1349 C CYS A 36 -0.945 4.701 28.660 1.00 0.28 C ATOM 1350 O CYS A 36 -2.063 4.760 29.129 1.00 0.31 O ATOM 1351 CB CYS A 36 0.895 3.457 29.770 1.00 0.29 C ATOM 1352 SG CYS A 36 1.786 1.888 29.848 1.00 0.32 S ATOM 1353 H CYS A 36 1.474 3.144 27.264 1.00 0.26 H ATOM 1354 HA CYS A 36 -0.829 2.573 28.856 1.00 0.29 H ATOM 1355 HB2 CYS A 36 1.591 4.256 29.560 1.00 0.28 H ATOM 1356 HB3 CYS A 36 0.409 3.643 30.717 1.00 0.32 H ATOM 1357 N GLY A 37 -0.378 5.750 28.136 1.00 0.28 N ATOM 1358 CA GLY A 37 -1.112 7.045 28.114 1.00 0.31 C ATOM 1359 C GLY A 37 -2.405 6.865 27.322 1.00 0.30 C ATOM 1360 O GLY A 37 -3.464 7.298 27.731 1.00 0.30 O ATOM 1361 H GLY A 37 0.523 5.683 27.756 1.00 0.29 H ATOM 1362 HA2 GLY A 37 -1.342 7.347 29.125 1.00 0.33 H ATOM 1363 HA3 GLY A 37 -0.504 7.800 27.638 1.00 0.33 H ATOM 1364 N LEU A 38 -2.326 6.219 26.193 1.00 0.32 N ATOM 1365 CA LEU A 38 -3.547 5.999 25.370 1.00 0.33 C ATOM 1366 C LEU A 38 -4.482 4.996 26.056 1.00 0.32 C ATOM 1367 O LEU A 38 -5.643 5.272 26.278 1.00 0.32 O ATOM 1368 CB LEU A 38 -3.137 5.441 24.003 1.00 0.36 C ATOM 1369 CG LEU A 38 -2.421 6.520 23.179 1.00 0.38 C ATOM 1370 CD1 LEU A 38 -1.808 5.870 21.933 1.00 0.43 C ATOM 1371 CD2 LEU A 38 -3.413 7.623 22.757 1.00 0.38 C ATOM 1372 H LEU A 38 -1.462 5.874 25.886 1.00 0.33 H ATOM 1373 HA LEU A 38 -4.065 6.935 25.236 1.00 0.34 H ATOM 1374 HB2 LEU A 38 -2.468 4.605 24.149 1.00 0.40 H ATOM 1375 HB3 LEU A 38 -4.014 5.104 23.473 1.00 0.37 H ATOM 1376 HG LEU A 38 -1.632 6.956 23.774 1.00 0.40 H ATOM 1377 HD11 LEU A 38 -2.585 5.391 21.356 1.00 1.07 H ATOM 1378 HD12 LEU A 38 -1.326 6.625 21.330 1.00 1.07 H ATOM 1379 HD13 LEU A 38 -1.078 5.132 22.234 1.00 1.17 H ATOM 1380 HD21 LEU A 38 -4.394 7.199 22.599 1.00 1.15 H ATOM 1381 HD22 LEU A 38 -3.468 8.373 23.532 1.00 1.06 H ATOM 1382 HD23 LEU A 38 -3.077 8.088 21.841 1.00 1.00 H ATOM 1383 N PHE A 39 -3.991 3.828 26.371 1.00 0.33 N ATOM 1384 CA PHE A 39 -4.863 2.798 27.009 1.00 0.35 C ATOM 1385 C PHE A 39 -5.298 3.208 28.418 1.00 0.34 C ATOM 1386 O PHE A 39 -6.458 3.106 28.768 1.00 0.36 O ATOM 1387 CB PHE A 39 -4.125 1.463 27.107 1.00 0.39 C ATOM 1388 CG PHE A 39 -5.101 0.429 27.613 1.00 0.45 C ATOM 1389 CD1 PHE A 39 -5.383 0.339 28.988 1.00 0.51 C ATOM 1390 CD2 PHE A 39 -5.755 -0.421 26.705 1.00 0.52 C ATOM 1391 CE1 PHE A 39 -6.316 -0.604 29.454 1.00 0.61 C ATOM 1392 CE2 PHE A 39 -6.690 -1.360 27.171 1.00 0.62 C ATOM 1393 CZ PHE A 39 -6.972 -1.451 28.544 1.00 0.66 C ATOM 1394 H PHE A 39 -3.052 3.628 26.172 1.00 0.35 H ATOM 1395 HA PHE A 39 -5.743 2.663 26.399 1.00 0.38 H ATOM 1396 HB2 PHE A 39 -3.759 1.175 26.132 1.00 0.42 H ATOM 1397 HB3 PHE A 39 -3.299 1.550 27.797 1.00 0.41 H ATOM 1398 HD1 PHE A 39 -4.877 0.987 29.689 1.00 0.52 H ATOM 1399 HD2 PHE A 39 -5.539 -0.352 25.650 1.00 0.53 H ATOM 1400 HE1 PHE A 39 -6.534 -0.672 30.509 1.00 0.69 H ATOM 1401 HE2 PHE A 39 -7.192 -2.012 26.473 1.00 0.70 H ATOM 1402 HZ PHE A 39 -7.691 -2.174 28.901 1.00 0.76 H ATOM 1403 N LEU A 40 -4.381 3.620 29.248 1.00 0.32 N ATOM 1404 CA LEU A 40 -4.758 3.972 30.647 1.00 0.34 C ATOM 1405 C LEU A 40 -5.785 5.104 30.640 1.00 0.36 C ATOM 1406 O LEU A 40 -6.801 5.036 31.302 1.00 0.40 O ATOM 1407 CB LEU A 40 -3.506 4.422 31.412 1.00 0.35 C ATOM 1408 CG LEU A 40 -3.793 4.502 32.920 1.00 0.40 C ATOM 1409 CD1 LEU A 40 -3.724 3.106 33.555 1.00 0.44 C ATOM 1410 CD2 LEU A 40 -2.753 5.409 33.588 1.00 0.48 C ATOM 1411 H LEU A 40 -3.444 3.662 28.966 1.00 0.32 H ATOM 1412 HA LEU A 40 -5.184 3.105 31.127 1.00 0.36 H ATOM 1413 HB2 LEU A 40 -2.704 3.722 31.231 1.00 0.35 H ATOM 1414 HB3 LEU A 40 -3.213 5.398 31.054 1.00 0.36 H ATOM 1415 HG LEU A 40 -4.779 4.917 33.075 1.00 0.43 H ATOM 1416 HD11 LEU A 40 -2.814 2.609 33.251 1.00 1.06 H ATOM 1417 HD12 LEU A 40 -3.734 3.200 34.631 1.00 1.07 H ATOM 1418 HD13 LEU A 40 -4.575 2.520 33.244 1.00 1.17 H ATOM 1419 HD21 LEU A 40 -1.761 5.088 33.305 1.00 1.17 H ATOM 1420 HD22 LEU A 40 -2.905 6.429 33.266 1.00 1.15 H ATOM 1421 HD23 LEU A 40 -2.857 5.353 34.661 1.00 1.09 H ATOM 1422 N LYS A 41 -5.527 6.150 29.908 1.00 0.37 N ATOM 1423 CA LYS A 41 -6.487 7.289 29.872 1.00 0.42 C ATOM 1424 C LYS A 41 -7.839 6.825 29.316 1.00 0.44 C ATOM 1425 O LYS A 41 -8.883 7.174 29.829 1.00 0.49 O ATOM 1426 CB LYS A 41 -5.913 8.391 28.980 1.00 0.44 C ATOM 1427 CG LYS A 41 -6.751 9.663 29.124 1.00 0.52 C ATOM 1428 CD LYS A 41 -6.162 10.764 28.239 1.00 1.15 C ATOM 1429 CE LYS A 41 -6.728 12.121 28.662 1.00 1.45 C ATOM 1430 NZ LYS A 41 -8.196 12.146 28.426 1.00 2.26 N ATOM 1431 H LYS A 41 -4.697 6.194 29.388 1.00 0.36 H ATOM 1432 HA LYS A 41 -6.623 7.674 30.872 1.00 0.46 H ATOM 1433 HB2 LYS A 41 -4.894 8.595 29.275 1.00 0.44 H ATOM 1434 HB3 LYS A 41 -5.930 8.065 27.951 1.00 0.42 H ATOM 1435 HG2 LYS A 41 -7.767 9.462 28.818 1.00 1.00 H ATOM 1436 HG3 LYS A 41 -6.741 9.987 30.154 1.00 0.90 H ATOM 1437 HD2 LYS A 41 -5.087 10.776 28.344 1.00 1.70 H ATOM 1438 HD3 LYS A 41 -6.422 10.574 27.209 1.00 1.77 H ATOM 1439 HE2 LYS A 41 -6.533 12.282 29.711 1.00 1.92 H ATOM 1440 HE3 LYS A 41 -6.259 12.902 28.083 1.00 1.76 H ATOM 1441 HZ1 LYS A 41 -8.424 11.569 27.592 1.00 2.72 H ATOM 1442 HZ2 LYS A 41 -8.687 11.761 29.258 1.00 2.70 H ATOM 1443 HZ3 LYS A 41 -8.498 13.127 28.266 1.00 2.71 H ATOM 1444 N LEU A 42 -7.830 6.051 28.263 1.00 0.43 N ATOM 1445 CA LEU A 42 -9.118 5.583 27.667 1.00 0.48 C ATOM 1446 C LEU A 42 -9.817 4.570 28.580 1.00 0.51 C ATOM 1447 O LEU A 42 -11.027 4.561 28.685 1.00 0.55 O ATOM 1448 CB LEU A 42 -8.859 4.918 26.307 1.00 0.47 C ATOM 1449 CG LEU A 42 -8.438 5.962 25.261 1.00 0.47 C ATOM 1450 CD1 LEU A 42 -7.809 5.237 24.061 1.00 0.49 C ATOM 1451 CD2 LEU A 42 -9.663 6.785 24.785 1.00 0.54 C ATOM 1452 H LEU A 42 -6.976 5.795 27.856 1.00 0.40 H ATOM 1453 HA LEU A 42 -9.765 6.434 27.528 1.00 0.51 H ATOM 1454 HB2 LEU A 42 -8.071 4.186 26.418 1.00 0.45 H ATOM 1455 HB3 LEU A 42 -9.758 4.423 25.974 1.00 0.52 H ATOM 1456 HG LEU A 42 -7.700 6.621 25.698 1.00 0.44 H ATOM 1457 HD11 LEU A 42 -8.473 4.453 23.725 1.00 1.11 H ATOM 1458 HD12 LEU A 42 -7.651 5.941 23.257 1.00 1.14 H ATOM 1459 HD13 LEU A 42 -6.864 4.805 24.351 1.00 1.14 H ATOM 1460 HD21 LEU A 42 -10.531 6.556 25.387 1.00 1.06 H ATOM 1461 HD22 LEU A 42 -9.446 7.840 24.870 1.00 1.09 H ATOM 1462 HD23 LEU A 42 -9.888 6.559 23.750 1.00 1.30 H ATOM 1463 N HIS A 43 -9.084 3.689 29.207 1.00 0.49 N ATOM 1464 CA HIS A 43 -9.736 2.652 30.065 1.00 0.53 C ATOM 1465 C HIS A 43 -9.923 3.152 31.502 1.00 0.55 C ATOM 1466 O HIS A 43 -10.951 2.918 32.105 1.00 0.60 O ATOM 1467 CB HIS A 43 -8.876 1.389 30.041 1.00 0.51 C ATOM 1468 CG HIS A 43 -8.956 0.783 28.666 1.00 0.55 C ATOM 1469 ND1 HIS A 43 -8.349 1.369 27.566 1.00 0.56 N ATOM 1470 CD2 HIS A 43 -9.595 -0.336 28.189 1.00 0.64 C ATOM 1471 CE1 HIS A 43 -8.634 0.611 26.492 1.00 0.63 C ATOM 1472 NE2 HIS A 43 -9.391 -0.441 26.815 1.00 0.68 N ATOM 1473 H HIS A 43 -8.111 3.684 29.085 1.00 0.47 H ATOM 1474 HA HIS A 43 -10.709 2.415 29.657 1.00 0.58 H ATOM 1475 HB2 HIS A 43 -7.851 1.642 30.270 1.00 0.48 H ATOM 1476 HB3 HIS A 43 -9.248 0.683 30.767 1.00 0.55 H ATOM 1477 HD1 HIS A 43 -7.808 2.186 27.570 1.00 0.57 H ATOM 1478 HD2 HIS A 43 -10.168 -1.028 28.788 1.00 0.72 H ATOM 1479 HE1 HIS A 43 -8.293 0.827 25.490 1.00 0.68 H ATOM 1480 N GLY A 44 -8.977 3.860 32.058 1.00 0.52 N ATOM 1481 CA GLY A 44 -9.164 4.384 33.444 1.00 0.55 C ATOM 1482 C GLY A 44 -9.044 3.282 34.505 1.00 0.56 C ATOM 1483 O GLY A 44 -9.415 3.490 35.643 1.00 0.60 O ATOM 1484 H GLY A 44 -8.155 4.083 31.573 1.00 0.50 H ATOM 1485 HA2 GLY A 44 -8.419 5.141 33.636 1.00 0.54 H ATOM 1486 HA3 GLY A 44 -10.145 4.830 33.517 1.00 0.60 H ATOM 1487 N VAL A 45 -8.543 2.120 34.168 1.00 0.54 N ATOM 1488 CA VAL A 45 -8.424 1.032 35.193 1.00 0.57 C ATOM 1489 C VAL A 45 -7.101 0.284 35.011 1.00 0.57 C ATOM 1490 O VAL A 45 -6.562 0.210 33.925 1.00 0.70 O ATOM 1491 CB VAL A 45 -9.589 0.046 35.033 1.00 0.60 C ATOM 1492 CG1 VAL A 45 -10.889 0.734 35.466 1.00 0.69 C ATOM 1493 CG2 VAL A 45 -9.693 -0.434 33.563 1.00 0.58 C ATOM 1494 H VAL A 45 -8.255 1.956 33.246 1.00 0.52 H ATOM 1495 HA VAL A 45 -8.451 1.455 36.188 1.00 0.60 H ATOM 1496 HB VAL A 45 -9.414 -0.803 35.681 1.00 0.64 H ATOM 1497 HG11 VAL A 45 -11.032 1.634 34.887 1.00 1.24 H ATOM 1498 HG12 VAL A 45 -11.722 0.065 35.302 1.00 1.20 H ATOM 1499 HG13 VAL A 45 -10.832 0.985 36.515 1.00 1.27 H ATOM 1500 HG21 VAL A 45 -8.910 0.014 32.968 1.00 1.24 H ATOM 1501 HG22 VAL A 45 -9.589 -1.509 33.524 1.00 1.23 H ATOM 1502 HG23 VAL A 45 -10.654 -0.160 33.145 1.00 1.05 H ATOM 1503 N VAL A 46 -6.570 -0.259 36.075 1.00 0.59 N ATOM 1504 CA VAL A 46 -5.275 -0.991 35.977 1.00 0.59 C ATOM 1505 C VAL A 46 -5.334 -1.978 34.809 1.00 0.66 C ATOM 1506 O VAL A 46 -6.397 -2.373 34.373 1.00 0.84 O ATOM 1507 CB VAL A 46 -5.013 -1.746 37.281 1.00 0.77 C ATOM 1508 CG1 VAL A 46 -4.690 -0.745 38.392 1.00 1.02 C ATOM 1509 CG2 VAL A 46 -6.258 -2.548 37.666 1.00 0.97 C ATOM 1510 H VAL A 46 -7.014 -0.169 36.944 1.00 0.71 H ATOM 1511 HA VAL A 46 -4.477 -0.284 35.806 1.00 0.68 H ATOM 1512 HB VAL A 46 -4.177 -2.417 37.147 1.00 0.76 H ATOM 1513 HG11 VAL A 46 -5.511 -0.051 38.502 1.00 1.45 H ATOM 1514 HG12 VAL A 46 -4.539 -1.274 39.321 1.00 1.59 H ATOM 1515 HG13 VAL A 46 -3.792 -0.201 38.137 1.00 1.45 H ATOM 1516 HG21 VAL A 46 -6.636 -3.066 36.797 1.00 1.33 H ATOM 1517 HG22 VAL A 46 -6.001 -3.267 38.430 1.00 1.49 H ATOM 1518 HG23 VAL A 46 -7.016 -1.878 38.044 1.00 1.51 H ATOM 1519 N ARG A 47 -4.198 -2.346 34.274 1.00 0.74 N ATOM 1520 CA ARG A 47 -4.176 -3.272 33.100 1.00 1.02 C ATOM 1521 C ARG A 47 -2.993 -4.250 33.209 1.00 0.77 C ATOM 1522 O ARG A 47 -1.880 -3.832 33.462 1.00 0.69 O ATOM 1523 CB ARG A 47 -3.982 -2.408 31.843 1.00 1.47 C ATOM 1524 CG ARG A 47 -3.682 -3.268 30.581 1.00 1.87 C ATOM 1525 CD ARG A 47 -4.901 -3.380 29.648 1.00 2.93 C ATOM 1526 NE ARG A 47 -5.042 -4.823 29.277 1.00 3.78 N ATOM 1527 CZ ARG A 47 -5.783 -5.201 28.283 1.00 4.58 C ATOM 1528 NH1 ARG A 47 -6.296 -4.313 27.486 1.00 4.84 N ATOM 1529 NH2 ARG A 47 -5.975 -6.469 28.059 1.00 5.44 N ATOM 1530 H ARG A 47 -3.359 -1.983 34.626 1.00 0.72 H ATOM 1531 HA ARG A 47 -5.112 -3.798 33.026 1.00 1.26 H ATOM 1532 HB2 ARG A 47 -4.868 -1.811 31.689 1.00 1.62 H ATOM 1533 HB3 ARG A 47 -3.150 -1.739 32.020 1.00 1.50 H ATOM 1534 HG2 ARG A 47 -2.869 -2.812 30.033 1.00 1.87 H ATOM 1535 HG3 ARG A 47 -3.377 -4.262 30.861 1.00 1.96 H ATOM 1536 HD2 ARG A 47 -5.802 -3.086 30.142 1.00 3.22 H ATOM 1537 HD3 ARG A 47 -4.753 -2.735 28.782 1.00 3.25 H ATOM 1538 HE ARG A 47 -4.602 -5.504 29.826 1.00 4.00 H ATOM 1539 HH11 ARG A 47 -6.120 -3.343 27.643 1.00 4.42 H ATOM 1540 HH12 ARG A 47 -6.852 -4.604 26.709 1.00 5.64 H ATOM 1541 HH21 ARG A 47 -5.551 -7.149 28.656 1.00 5.55 H ATOM 1542 HH22 ARG A 47 -6.544 -6.762 27.291 1.00 6.13 H ATOM 1543 N PRO A 48 -3.190 -5.527 32.943 1.00 0.84 N ATOM 1544 CA PRO A 48 -2.062 -6.499 32.941 1.00 0.70 C ATOM 1545 C PRO A 48 -0.896 -5.955 32.105 1.00 0.56 C ATOM 1546 O PRO A 48 -0.874 -6.077 30.896 1.00 0.57 O ATOM 1547 CB PRO A 48 -2.655 -7.756 32.289 1.00 0.84 C ATOM 1548 CG PRO A 48 -4.122 -7.682 32.565 1.00 1.24 C ATOM 1549 CD PRO A 48 -4.476 -6.191 32.640 1.00 1.23 C ATOM 1550 HA PRO A 48 -1.742 -6.716 33.948 1.00 0.70 H ATOM 1551 HB2 PRO A 48 -2.472 -7.754 31.221 1.00 0.78 H ATOM 1552 HB3 PRO A 48 -2.237 -8.647 32.736 1.00 1.00 H ATOM 1553 HG2 PRO A 48 -4.676 -8.162 31.768 1.00 1.46 H ATOM 1554 HG3 PRO A 48 -4.349 -8.157 33.509 1.00 1.49 H ATOM 1555 HD2 PRO A 48 -4.874 -5.847 31.695 1.00 1.43 H ATOM 1556 HD3 PRO A 48 -5.184 -6.017 33.437 1.00 1.38 H ATOM 1557 N LEU A 49 0.062 -5.345 32.737 1.00 0.49 N ATOM 1558 CA LEU A 49 1.213 -4.784 31.977 1.00 0.46 C ATOM 1559 C LEU A 49 1.898 -5.911 31.196 1.00 0.46 C ATOM 1560 O LEU A 49 2.756 -5.677 30.368 1.00 0.53 O ATOM 1561 CB LEU A 49 2.194 -4.141 32.957 1.00 0.46 C ATOM 1562 CG LEU A 49 1.483 -3.034 33.747 1.00 0.47 C ATOM 1563 CD1 LEU A 49 2.422 -2.530 34.847 1.00 0.50 C ATOM 1564 CD2 LEU A 49 1.090 -1.876 32.811 1.00 0.49 C ATOM 1565 H LEU A 49 0.017 -5.259 33.712 1.00 0.50 H ATOM 1566 HA LEU A 49 0.855 -4.040 31.282 1.00 0.53 H ATOM 1567 HB2 LEU A 49 2.561 -4.892 33.641 1.00 0.48 H ATOM 1568 HB3 LEU A 49 3.023 -3.717 32.411 1.00 0.49 H ATOM 1569 HG LEU A 49 0.593 -3.444 34.205 1.00 0.50 H ATOM 1570 HD11 LEU A 49 3.390 -2.315 34.421 1.00 1.13 H ATOM 1571 HD12 LEU A 49 2.017 -1.636 35.297 1.00 1.08 H ATOM 1572 HD13 LEU A 49 2.528 -3.293 35.603 1.00 1.13 H ATOM 1573 HD21 LEU A 49 1.857 -1.730 32.065 1.00 1.15 H ATOM 1574 HD22 LEU A 49 0.155 -2.109 32.322 1.00 1.03 H ATOM 1575 HD23 LEU A 49 0.967 -0.964 33.379 1.00 1.12 H ATOM 1576 N SER A 50 1.526 -7.132 31.467 1.00 0.46 N ATOM 1577 CA SER A 50 2.147 -8.292 30.763 1.00 0.52 C ATOM 1578 C SER A 50 1.904 -8.192 29.252 1.00 0.51 C ATOM 1579 O SER A 50 2.492 -8.916 28.473 1.00 0.54 O ATOM 1580 CB SER A 50 1.535 -9.590 31.290 1.00 0.61 C ATOM 1581 OG SER A 50 2.378 -10.678 30.948 1.00 1.49 O ATOM 1582 H SER A 50 0.841 -7.283 32.152 1.00 0.48 H ATOM 1583 HA SER A 50 3.210 -8.297 30.952 1.00 0.58 H ATOM 1584 HB2 SER A 50 1.443 -9.540 32.363 1.00 1.12 H ATOM 1585 HB3 SER A 50 0.555 -9.733 30.854 1.00 1.10 H ATOM 1586 HG SER A 50 2.045 -11.457 31.397 1.00 1.92 H ATOM 1587 N LEU A 51 1.052 -7.300 28.827 1.00 0.49 N ATOM 1588 CA LEU A 51 0.785 -7.162 27.364 1.00 0.54 C ATOM 1589 C LEU A 51 1.958 -6.430 26.712 1.00 0.55 C ATOM 1590 O LEU A 51 2.381 -6.757 25.621 1.00 0.58 O ATOM 1591 CB LEU A 51 -0.490 -6.340 27.165 1.00 0.57 C ATOM 1592 CG LEU A 51 -1.677 -7.052 27.832 1.00 0.59 C ATOM 1593 CD1 LEU A 51 -2.790 -6.043 28.104 1.00 0.63 C ATOM 1594 CD2 LEU A 51 -2.234 -8.144 26.913 1.00 0.65 C ATOM 1595 H LEU A 51 0.593 -6.718 29.468 1.00 0.48 H ATOM 1596 HA LEU A 51 0.676 -8.134 26.918 1.00 0.57 H ATOM 1597 HB2 LEU A 51 -0.353 -5.364 27.603 1.00 0.55 H ATOM 1598 HB3 LEU A 51 -0.685 -6.233 26.106 1.00 0.62 H ATOM 1599 HG LEU A 51 -1.358 -7.492 28.767 1.00 0.57 H ATOM 1600 HD11 LEU A 51 -2.399 -5.226 28.693 1.00 1.24 H ATOM 1601 HD12 LEU A 51 -3.172 -5.662 27.166 1.00 1.16 H ATOM 1602 HD13 LEU A 51 -3.580 -6.535 28.646 1.00 1.20 H ATOM 1603 HD21 LEU A 51 -2.566 -7.699 25.986 1.00 1.19 H ATOM 1604 HD22 LEU A 51 -1.470 -8.878 26.706 1.00 1.20 H ATOM 1605 HD23 LEU A 51 -3.070 -8.627 27.397 1.00 1.21 H ATOM 1606 N LYS A 52 2.480 -5.441 27.378 1.00 0.57 N ATOM 1607 CA LYS A 52 3.627 -4.667 26.821 1.00 0.63 C ATOM 1608 C LYS A 52 4.663 -5.616 26.213 1.00 0.59 C ATOM 1609 O LYS A 52 4.776 -6.763 26.595 1.00 0.60 O ATOM 1610 CB LYS A 52 4.263 -3.866 27.965 1.00 0.74 C ATOM 1611 CG LYS A 52 5.510 -3.087 27.483 1.00 0.91 C ATOM 1612 CD LYS A 52 6.814 -3.880 27.732 1.00 1.21 C ATOM 1613 CE LYS A 52 7.985 -2.913 27.945 1.00 1.46 C ATOM 1614 NZ LYS A 52 9.268 -3.620 27.697 1.00 2.28 N ATOM 1615 H LYS A 52 2.117 -5.190 28.254 1.00 0.55 H ATOM 1616 HA LYS A 52 3.270 -3.986 26.063 1.00 0.67 H ATOM 1617 HB2 LYS A 52 3.528 -3.164 28.339 1.00 0.75 H ATOM 1618 HB3 LYS A 52 4.529 -4.542 28.762 1.00 0.74 H ATOM 1619 HG2 LYS A 52 5.418 -2.882 26.426 1.00 1.48 H ATOM 1620 HG3 LYS A 52 5.560 -2.146 28.015 1.00 1.49 H ATOM 1621 HD2 LYS A 52 6.714 -4.502 28.607 1.00 1.81 H ATOM 1622 HD3 LYS A 52 7.028 -4.503 26.879 1.00 1.87 H ATOM 1623 HE2 LYS A 52 7.901 -2.079 27.267 1.00 1.75 H ATOM 1624 HE3 LYS A 52 7.972 -2.554 28.961 1.00 1.77 H ATOM 1625 HZ1 LYS A 52 9.157 -4.272 26.896 1.00 2.66 H ATOM 1626 HZ2 LYS A 52 10.007 -2.921 27.478 1.00 2.70 H ATOM 1627 HZ3 LYS A 52 9.536 -4.156 28.546 1.00 2.76 H ATOM 1628 N THR A 53 5.439 -5.126 25.283 1.00 0.55 N ATOM 1629 CA THR A 53 6.503 -5.961 24.652 1.00 0.53 C ATOM 1630 C THR A 53 7.690 -5.064 24.305 1.00 0.51 C ATOM 1631 O THR A 53 7.581 -3.854 24.305 1.00 0.50 O ATOM 1632 CB THR A 53 5.970 -6.612 23.372 1.00 0.53 C ATOM 1633 OG1 THR A 53 7.066 -6.999 22.554 1.00 0.54 O ATOM 1634 CG2 THR A 53 5.079 -5.627 22.607 1.00 0.54 C ATOM 1635 H THR A 53 5.351 -4.184 25.026 1.00 0.55 H ATOM 1636 HA THR A 53 6.823 -6.729 25.342 1.00 0.56 H ATOM 1637 HB THR A 53 5.397 -7.487 23.632 1.00 0.56 H ATOM 1638 HG1 THR A 53 7.157 -7.953 22.611 1.00 0.98 H ATOM 1639 HG21 THR A 53 5.475 -4.626 22.700 1.00 1.08 H ATOM 1640 HG22 THR A 53 5.053 -5.905 21.564 1.00 1.17 H ATOM 1641 HG23 THR A 53 4.078 -5.657 23.011 1.00 1.16 H ATOM 1642 N ASP A 54 8.825 -5.637 24.011 1.00 0.51 N ATOM 1643 CA ASP A 54 10.017 -4.804 23.667 1.00 0.51 C ATOM 1644 C ASP A 54 10.039 -4.589 22.156 1.00 0.49 C ATOM 1645 O ASP A 54 10.905 -3.925 21.622 1.00 0.51 O ATOM 1646 CB ASP A 54 11.291 -5.541 24.087 1.00 0.54 C ATOM 1647 CG ASP A 54 11.385 -5.579 25.613 1.00 0.59 C ATOM 1648 OD1 ASP A 54 10.852 -4.680 26.240 1.00 1.25 O ATOM 1649 OD2 ASP A 54 11.997 -6.500 26.127 1.00 1.22 O ATOM 1650 H ASP A 54 8.910 -6.614 24.031 1.00 0.53 H ATOM 1651 HA ASP A 54 9.964 -3.849 24.171 1.00 0.50 H ATOM 1652 HB2 ASP A 54 11.263 -6.551 23.705 1.00 0.55 H ATOM 1653 HB3 ASP A 54 12.152 -5.029 23.686 1.00 0.54 H ATOM 1654 N VAL A 55 9.069 -5.137 21.474 1.00 0.49 N ATOM 1655 CA VAL A 55 8.974 -4.977 19.993 1.00 0.50 C ATOM 1656 C VAL A 55 7.704 -4.187 19.677 1.00 0.44 C ATOM 1657 O VAL A 55 6.644 -4.467 20.201 1.00 0.45 O ATOM 1658 CB VAL A 55 8.905 -6.362 19.337 1.00 0.58 C ATOM 1659 CG1 VAL A 55 8.518 -6.222 17.862 1.00 1.04 C ATOM 1660 CG2 VAL A 55 10.274 -7.044 19.441 1.00 1.19 C ATOM 1661 H VAL A 55 8.383 -5.652 21.947 1.00 0.49 H ATOM 1662 HA VAL A 55 9.833 -4.440 19.616 1.00 0.50 H ATOM 1663 HB VAL A 55 8.164 -6.962 19.844 1.00 1.02 H ATOM 1664 HG11 VAL A 55 9.077 -5.412 17.417 1.00 1.55 H ATOM 1665 HG12 VAL A 55 8.739 -7.142 17.341 1.00 1.59 H ATOM 1666 HG13 VAL A 55 7.461 -6.012 17.788 1.00 1.62 H ATOM 1667 HG21 VAL A 55 10.690 -6.874 20.423 1.00 1.72 H ATOM 1668 HG22 VAL A 55 10.159 -8.105 19.279 1.00 1.67 H ATOM 1669 HG23 VAL A 55 10.939 -6.636 18.694 1.00 1.78 H ATOM 1670 N ILE A 56 7.804 -3.208 18.817 1.00 0.41 N ATOM 1671 CA ILE A 56 6.612 -2.390 18.445 1.00 0.38 C ATOM 1672 C ILE A 56 6.225 -2.724 17.007 1.00 0.42 C ATOM 1673 O ILE A 56 7.056 -2.751 16.121 1.00 0.46 O ATOM 1674 CB ILE A 56 6.944 -0.901 18.556 1.00 0.34 C ATOM 1675 CG1 ILE A 56 7.350 -0.581 20.001 1.00 0.38 C ATOM 1676 CG2 ILE A 56 5.709 -0.078 18.176 1.00 0.32 C ATOM 1677 CD1 ILE A 56 7.894 0.859 20.115 1.00 0.45 C ATOM 1678 H ILE A 56 8.671 -3.019 18.400 1.00 0.42 H ATOM 1679 HA ILE A 56 5.782 -2.619 19.099 1.00 0.41 H ATOM 1680 HB ILE A 56 7.758 -0.666 17.886 1.00 0.35 H ATOM 1681 HG12 ILE A 56 6.487 -0.695 20.643 1.00 0.42 H ATOM 1682 HG13 ILE A 56 8.114 -1.280 20.312 1.00 0.41 H ATOM 1683 HG21 ILE A 56 4.832 -0.511 18.635 1.00 1.08 H ATOM 1684 HG22 ILE A 56 5.831 0.938 18.521 1.00 1.05 H ATOM 1685 HG23 ILE A 56 5.590 -0.081 17.102 1.00 1.05 H ATOM 1686 HD11 ILE A 56 8.177 1.233 19.142 1.00 1.10 H ATOM 1687 HD12 ILE A 56 7.133 1.503 20.534 1.00 1.18 H ATOM 1688 HD13 ILE A 56 8.759 0.869 20.764 1.00 1.07 H ATOM 1689 N LYS A 57 4.973 -2.995 16.772 1.00 0.47 N ATOM 1690 CA LYS A 57 4.538 -3.347 15.394 1.00 0.54 C ATOM 1691 C LYS A 57 4.463 -2.075 14.551 1.00 0.49 C ATOM 1692 O LYS A 57 3.767 -1.136 14.885 1.00 0.47 O ATOM 1693 CB LYS A 57 3.159 -4.003 15.471 1.00 0.65 C ATOM 1694 CG LYS A 57 2.761 -4.557 14.101 1.00 0.77 C ATOM 1695 CD LYS A 57 1.380 -5.207 14.207 1.00 1.06 C ATOM 1696 CE LYS A 57 0.967 -5.766 12.846 1.00 1.49 C ATOM 1697 NZ LYS A 57 1.792 -6.966 12.535 1.00 1.83 N ATOM 1698 H LYS A 57 4.322 -2.982 17.504 1.00 0.50 H ATOM 1699 HA LYS A 57 5.242 -4.036 14.952 1.00 0.59 H ATOM 1700 HB2 LYS A 57 3.189 -4.809 16.189 1.00 0.71 H ATOM 1701 HB3 LYS A 57 2.430 -3.270 15.786 1.00 0.65 H ATOM 1702 HG2 LYS A 57 2.728 -3.751 13.381 1.00 1.12 H ATOM 1703 HG3 LYS A 57 3.484 -5.294 13.786 1.00 1.13 H ATOM 1704 HD2 LYS A 57 1.415 -6.008 14.931 1.00 1.68 H ATOM 1705 HD3 LYS A 57 0.659 -4.467 14.523 1.00 1.71 H ATOM 1706 HE2 LYS A 57 -0.077 -6.042 12.873 1.00 2.05 H ATOM 1707 HE3 LYS A 57 1.122 -5.015 12.087 1.00 2.10 H ATOM 1708 HZ1 LYS A 57 2.263 -7.299 13.400 1.00 2.35 H ATOM 1709 HZ2 LYS A 57 1.180 -7.720 12.159 1.00 2.13 H ATOM 1710 HZ3 LYS A 57 2.510 -6.717 11.826 1.00 2.21 H ATOM 1711 N LYS A 58 5.177 -2.039 13.459 1.00 0.51 N ATOM 1712 CA LYS A 58 5.147 -0.834 12.588 1.00 0.52 C ATOM 1713 C LYS A 58 3.916 -0.883 11.688 1.00 0.54 C ATOM 1714 O LYS A 58 3.723 -1.820 10.938 1.00 0.61 O ATOM 1715 CB LYS A 58 6.404 -0.785 11.717 1.00 0.60 C ATOM 1716 CG LYS A 58 7.627 -0.482 12.582 1.00 0.64 C ATOM 1717 CD LYS A 58 8.877 -0.441 11.697 1.00 1.12 C ATOM 1718 CE LYS A 58 10.104 -0.128 12.553 1.00 1.71 C ATOM 1719 NZ LYS A 58 11.330 -0.217 11.714 1.00 2.53 N ATOM 1720 H LYS A 58 5.723 -2.814 13.208 1.00 0.55 H ATOM 1721 HA LYS A 58 5.107 0.055 13.204 1.00 0.50 H ATOM 1722 HB2 LYS A 58 6.537 -1.745 11.232 1.00 0.65 H ATOM 1723 HB3 LYS A 58 6.293 -0.018 10.968 1.00 0.63 H ATOM 1724 HG2 LYS A 58 7.496 0.474 13.069 1.00 0.84 H ATOM 1725 HG3 LYS A 58 7.742 -1.254 13.328 1.00 0.94 H ATOM 1726 HD2 LYS A 58 9.008 -1.401 11.221 1.00 1.81 H ATOM 1727 HD3 LYS A 58 8.763 0.323 10.942 1.00 1.60 H ATOM 1728 HE2 LYS A 58 10.017 0.872 12.950 1.00 2.15 H ATOM 1729 HE3 LYS A 58 10.170 -0.836 13.366 1.00 2.19 H ATOM 1730 HZ1 LYS A 58 11.066 -0.415 10.728 1.00 3.02 H ATOM 1731 HZ2 LYS A 58 11.842 0.686 11.758 1.00 2.99 H ATOM 1732 HZ3 LYS A 58 11.939 -0.980 12.072 1.00 2.85 H ATOM 1733 N ARG A 59 3.077 0.112 11.758 1.00 0.52 N ATOM 1734 CA ARG A 59 1.852 0.117 10.911 1.00 0.57 C ATOM 1735 C ARG A 59 2.176 0.883 9.636 1.00 0.60 C ATOM 1736 O ARG A 59 3.257 1.415 9.480 1.00 0.60 O ATOM 1737 CB ARG A 59 0.698 0.847 11.625 1.00 0.59 C ATOM 1738 CG ARG A 59 0.617 0.482 13.128 1.00 0.63 C ATOM 1739 CD ARG A 59 -0.592 -0.410 13.417 1.00 1.17 C ATOM 1740 NE ARG A 59 -1.814 0.228 12.852 1.00 1.94 N ATOM 1741 CZ ARG A 59 -2.927 -0.446 12.783 1.00 2.53 C ATOM 1742 NH1 ARG A 59 -2.984 -1.656 13.270 1.00 2.61 N ATOM 1743 NH2 ARG A 59 -3.983 0.093 12.239 1.00 3.56 N ATOM 1744 H ARG A 59 3.238 0.850 12.382 1.00 0.50 H ATOM 1745 HA ARG A 59 1.556 -0.894 10.668 1.00 0.60 H ATOM 1746 HB2 ARG A 59 0.846 1.916 11.531 1.00 0.59 H ATOM 1747 HB3 ARG A 59 -0.227 0.584 11.133 1.00 0.64 H ATOM 1748 HG2 ARG A 59 1.509 -0.035 13.442 1.00 1.17 H ATOM 1749 HG3 ARG A 59 0.516 1.390 13.706 1.00 0.99 H ATOM 1750 HD2 ARG A 59 -0.449 -1.375 12.962 1.00 1.71 H ATOM 1751 HD3 ARG A 59 -0.699 -0.529 14.486 1.00 1.79 H ATOM 1752 HE ARG A 59 -1.775 1.146 12.511 1.00 2.49 H ATOM 1753 HH11 ARG A 59 -2.175 -2.063 13.694 1.00 2.36 H ATOM 1754 HH12 ARG A 59 -3.838 -2.174 13.223 1.00 3.32 H ATOM 1755 HH21 ARG A 59 -3.938 1.023 11.873 1.00 3.98 H ATOM 1756 HH22 ARG A 59 -4.838 -0.421 12.192 1.00 4.10 H ATOM 1757 N ASN A 60 1.258 0.950 8.722 1.00 0.65 N ATOM 1758 CA ASN A 60 1.547 1.691 7.475 1.00 0.71 C ATOM 1759 C ASN A 60 1.524 3.177 7.815 1.00 0.73 C ATOM 1760 O ASN A 60 1.474 3.566 8.965 1.00 0.71 O ATOM 1761 CB ASN A 60 0.470 1.402 6.416 1.00 0.80 C ATOM 1762 CG ASN A 60 0.058 -0.070 6.459 1.00 1.41 C ATOM 1763 OD1 ASN A 60 0.549 -0.832 7.266 1.00 2.22 O ATOM 1764 ND2 ASN A 60 -0.839 -0.501 5.613 1.00 1.96 N ATOM 1765 H ASN A 60 0.394 0.507 8.846 1.00 0.66 H ATOM 1766 HA ASN A 60 2.521 1.414 7.098 1.00 0.72 H ATOM 1767 HB2 ASN A 60 -0.401 2.016 6.601 1.00 1.31 H ATOM 1768 HB3 ASN A 60 0.864 1.630 5.436 1.00 1.23 H ATOM 1769 HD21 ASN A 60 -1.235 0.116 4.962 1.00 2.11 H ATOM 1770 HD22 ASN A 60 -1.119 -1.440 5.630 1.00 2.63 H ATOM 1771 N ARG A 61 1.517 4.004 6.821 1.00 0.83 N ATOM 1772 CA ARG A 61 1.444 5.467 7.065 1.00 0.93 C ATOM 1773 C ARG A 61 0.680 6.085 5.910 1.00 1.18 C ATOM 1774 O ARG A 61 0.893 5.750 4.762 1.00 1.21 O ATOM 1775 CB ARG A 61 2.852 6.067 7.195 1.00 0.98 C ATOM 1776 CG ARG A 61 3.454 5.627 8.536 1.00 0.85 C ATOM 1777 CD ARG A 61 4.702 6.446 8.877 1.00 1.06 C ATOM 1778 NE ARG A 61 5.774 6.083 7.894 1.00 1.77 N ATOM 1779 CZ ARG A 61 7.035 6.191 8.184 1.00 2.34 C ATOM 1780 NH1 ARG A 61 7.401 6.455 9.405 1.00 2.47 N ATOM 1781 NH2 ARG A 61 7.936 5.994 7.264 1.00 3.35 N ATOM 1782 H ARG A 61 1.506 3.646 5.909 1.00 0.86 H ATOM 1783 HA ARG A 61 0.889 5.650 7.975 1.00 0.86 H ATOM 1784 HB2 ARG A 61 3.470 5.710 6.384 1.00 1.16 H ATOM 1785 HB3 ARG A 61 2.795 7.143 7.159 1.00 1.05 H ATOM 1786 HG2 ARG A 61 2.724 5.762 9.320 1.00 0.81 H ATOM 1787 HG3 ARG A 61 3.721 4.582 8.478 1.00 0.93 H ATOM 1788 HD2 ARG A 61 4.507 7.490 8.771 1.00 1.50 H ATOM 1789 HD3 ARG A 61 4.972 6.257 9.918 1.00 1.53 H ATOM 1790 HE ARG A 61 5.517 5.807 6.991 1.00 2.37 H ATOM 1791 HH11 ARG A 61 6.711 6.575 10.118 1.00 2.24 H ATOM 1792 HH12 ARG A 61 8.372 6.525 9.631 1.00 3.21 H ATOM 1793 HH21 ARG A 61 7.655 5.762 6.334 1.00 3.77 H ATOM 1794 HH22 ARG A 61 8.906 6.070 7.492 1.00 3.91 H ATOM 1795 N ASN A 62 -0.226 6.970 6.197 1.00 1.46 N ATOM 1796 CA ASN A 62 -1.008 7.575 5.096 1.00 1.75 C ATOM 1797 C ASN A 62 -0.079 8.547 4.379 1.00 2.28 C ATOM 1798 O ASN A 62 0.044 9.697 4.749 1.00 2.87 O ATOM 1799 CB ASN A 62 -2.231 8.302 5.690 1.00 2.27 C ATOM 1800 CG ASN A 62 -3.478 8.048 4.835 1.00 2.78 C ATOM 1801 OD1 ASN A 62 -3.375 7.699 3.676 1.00 3.16 O ATOM 1802 ND2 ASN A 62 -4.658 8.210 5.367 1.00 3.49 N ATOM 1803 H ASN A 62 -0.400 7.221 7.129 1.00 1.52 H ATOM 1804 HA ASN A 62 -1.322 6.800 4.409 1.00 1.53 H ATOM 1805 HB2 ASN A 62 -2.409 7.932 6.689 1.00 2.64 H ATOM 1806 HB3 ASN A 62 -2.048 9.366 5.738 1.00 2.62 H ATOM 1807 HD21 ASN A 62 -4.739 8.493 6.302 1.00 3.72 H ATOM 1808 HD22 ASN A 62 -5.463 8.049 4.832 1.00 4.10 H ATOM 1809 N SER A 63 0.594 8.076 3.364 1.00 2.42 N ATOM 1810 CA SER A 63 1.533 8.957 2.632 1.00 3.14 C ATOM 1811 C SER A 63 0.769 10.192 2.172 1.00 3.25 C ATOM 1812 O SER A 63 0.248 10.240 1.076 1.00 3.60 O ATOM 1813 CB SER A 63 2.102 8.212 1.422 1.00 3.70 C ATOM 1814 OG SER A 63 3.036 9.048 0.753 1.00 4.17 O ATOM 1815 H SER A 63 0.490 7.139 3.096 1.00 2.28 H ATOM 1816 HA SER A 63 2.339 9.251 3.289 1.00 3.61 H ATOM 1817 HB2 SER A 63 2.601 7.314 1.750 1.00 3.97 H ATOM 1818 HB3 SER A 63 1.295 7.948 0.752 1.00 4.04 H ATOM 1819 HG SER A 63 2.651 9.924 0.681 1.00 4.54 H ATOM 1820 N ALA A 64 0.694 11.186 3.014 1.00 3.48 N ATOM 1821 CA ALA A 64 -0.032 12.428 2.644 1.00 3.95 C ATOM 1822 C ALA A 64 0.659 13.036 1.426 1.00 4.46 C ATOM 1823 O ALA A 64 1.056 12.330 0.529 1.00 5.05 O ATOM 1824 CB ALA A 64 0.009 13.409 3.818 1.00 4.53 C ATOM 1825 H ALA A 64 1.118 11.112 3.895 1.00 3.69 H ATOM 1826 HA ALA A 64 -1.057 12.191 2.399 1.00 4.05 H ATOM 1827 HB1 ALA A 64 -0.170 12.875 4.739 1.00 4.71 H ATOM 1828 HB2 ALA A 64 0.979 13.881 3.860 1.00 4.78 H ATOM 1829 HB3 ALA A 64 -0.753 14.163 3.685 1.00 5.00 H ATOM 1830 N ASN A 65 0.813 14.329 1.394 1.00 4.72 N ATOM 1831 CA ASN A 65 1.491 14.984 0.236 1.00 5.66 C ATOM 1832 C ASN A 65 0.620 14.873 -1.018 1.00 6.07 C ATOM 1833 O ASN A 65 -0.572 14.649 -0.942 1.00 6.28 O ATOM 1834 CB ASN A 65 2.892 14.359 0.023 1.00 6.35 C ATOM 1835 CG ASN A 65 2.907 13.189 -0.984 1.00 6.93 C ATOM 1836 OD1 ASN A 65 1.904 12.815 -1.559 1.00 7.16 O ATOM 1837 ND2 ASN A 65 4.033 12.573 -1.215 1.00 7.52 N ATOM 1838 H ASN A 65 0.489 14.876 2.140 1.00 4.60 H ATOM 1839 HA ASN A 65 1.612 16.033 0.470 1.00 5.95 H ATOM 1840 HB2 ASN A 65 3.566 15.123 -0.333 1.00 6.48 H ATOM 1841 HB3 ASN A 65 3.253 14.000 0.976 1.00 6.67 H ATOM 1842 HD21 ASN A 65 4.849 12.854 -0.752 1.00 7.57 H ATOM 1843 HD22 ASN A 65 4.062 11.826 -1.849 1.00 8.07 H ATOM 1844 N SER A 66 1.219 15.026 -2.170 1.00 6.58 N ATOM 1845 CA SER A 66 0.460 14.933 -3.454 1.00 7.37 C ATOM 1846 C SER A 66 1.120 13.871 -4.341 1.00 8.01 C ATOM 1847 O SER A 66 0.655 13.678 -5.452 1.00 8.34 O ATOM 1848 CB SER A 66 0.493 16.304 -4.152 1.00 7.79 C ATOM 1849 OG SER A 66 1.031 16.165 -5.460 1.00 7.97 O ATOM 1850 OXT SER A 66 2.082 13.268 -3.892 1.00 8.41 O ATOM 1851 H SER A 66 2.183 15.202 -2.192 1.00 6.68 H ATOM 1852 HA SER A 66 -0.566 14.645 -3.263 1.00 7.51 H ATOM 1853 HB2 SER A 66 -0.505 16.708 -4.226 1.00 7.94 H ATOM 1854 HB3 SER A 66 1.106 16.983 -3.574 1.00 8.13 H ATOM 1855 HG SER A 66 1.891 16.589 -5.471 1.00 8.12 H TER 1856 SER A 66 HETATM 1857 ZN ZN A 67 3.906 2.320 29.124 1.00 0.30 ZN CONECT 989 1857 CONECT 1027 1857 CONECT 1318 1857 CONECT 1352 1857 CONECT 1857 989 1027 1318 1352 MASTER 234 0 1 2 2 0 1 6 1854 3 5 8 END
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Related entries of code: 6gat
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
7gat
RCSB PDB
PDBbind
13aa, >7GAT_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6gat
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Leu22Val mutant AREA DNA binding domain
Ligand Name
13 base-pair oligonucleotide containing TGATAG
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
(1998) J.Mol.Biol. Vol. 277: pp. 621-634
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P17429
Entrez Gene ID
NCBI Entrez Gene ID:
2868505
ASD
Information of known allosteric effects of PDB entries
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