HEADER TRANSCRIPTION/DNA 07-NOV-97 2GAT TITLE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA- TITLE 2 1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'); COMPND 4 CHAIN: B; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'- COMPND 8 D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'); COMPND 9 CHAIN: C; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: ERYTHROID TRANSCRIPTION FACTOR GATA-1; COMPND 13 CHAIN: A; COMPND 14 FRAGMENT: C-TERMINAL DOMAIN; COMPND 15 ENGINEERED: 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: GALLUS GALLUS; SOURCE 7 ORGANISM_COMMON: CHICKEN; SOURCE 8 ORGANISM_TAXID: 9031; 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,N.TJANDRA,M.STARICH,J.G.OMICHINSKI,A.M.GRONENBORN REVDAT 2 24-FEB-09 2GAT 1 VERSN REVDAT 1 28-JAN-98 2GAT 0 JRNL AUTH N.TJANDRA,J.G.OMICHINSKI,A.M.GRONENBORN,G.M.CLORE, JRNL AUTH 2 A.BAX JRNL TITL USE OF DIPOLAR 1H-15N AND 1H-13C COUPLINGS IN THE JRNL TITL 2 STRUCTURE DETERMINATION OF MAGNETICALLY ORIENTED JRNL TITL 3 MACROMOLECULES IN SOLUTION. JRNL REF NAT.STRUCT.BIOL. V. 4 732 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9303001 JRNL DOI 10.1038/NSB0997-732 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.R.STARICH,M.WIKSTROM,S.SHUMACHER,H.N.ARST, REMARK 1 AUTH 2 A.M.GRONENBORN,G.M.CLORE REMARK 1 TITL THE SOLUTION STRUCTURE OF THE LEU22-->VAL MUTANT REMARK 1 TITL 2 AREA DNA BINDING DOMAIN COMPLEXED WITH A TGATAG REMARK 1 TITL 3 CORE ELEMENT DEFINES A ROLE FOR HYDROPHOBIC REMARK 1 TITL 4 PACKING IN THE DETERMINATION OF SPECIFICITY REMARK 1 REF J.MOL.BIOL. V. 277 621 1998 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.G.OMICHINSKI,G.M.CLORE,O.SCHAAD,G.FELSENFELD, REMARK 1 AUTH 2 C.TRAINOR,E.APPELLA,S.J.STAHL,A.M.GRONENBORN REMARK 1 TITL NMR STRUCTURE OF A SPECIFIC DNA COMPLEX OF REMARK 1 TITL 2 ZN-CONTAINING DNA BINDING DOMAIN OF GATA-1 REMARK 1 REF SCIENCE V. 261 438 1993 REMARK 1 REFN ISSN 0036-8075 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 DIPOLAR REMARK 3 COUPLING RESTRAINTS (TJANDRA ET AL. (1997) NATURE STRUCT REMARK 3 BIOL 4, 732-738) AND A CONFORMATIONAL DATABASE POTENTIAL REMARK 3 FOR PROTEINS AND NUCLEIC ACIDS (KUSZEWSKI ET AL. (1996) REMARK 3 PROTEIN SCI 5, 1067 - 1080 AND (1997) J. MAGN. RESON. 125, REMARK 3 171-177). THE EXPERIMENTAL RESTRAINTS ARE GIVEN IN REMARK 3 R2GATMR. REMARK 3 REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 1830 EXPERIMENTAL REMARK 3 NMR RESTRAINTS COMPRISING: 1444 INTERPROTON DISTANCE REMARK 3 RESTRAINTS DERIVED FROM NOE MEASUREMENTS; 296 TORSION REMARK 3 ANGLE RESTRAINTS; 90 RESIDUAL DIPOLAR COUPLINGS (52 N-H REMARK 3 AND 38 C-H). THE NOE RESTRAINTS ARE SUBDIVIDED AS FOLLOWS: REMARK 3 (A) WITHIN THE PROTEIN: 242 INTERRESIDUE SEQUENTIAL REMARK 3 (|I-J|=1); 161 INTERRESIDUE SHORT RANGE (1(LESS REMARK 3 THAN)|I-J|(LESS THAN)=5); 182 INTERRESIDUE LONG RANGE REMARK 3 (|I-J|(GREATER THAN)5); AND. 334 INTRARESIDUE. (B) WITHIN REMARK 3 THE DNA: 157 INTRARESIDUE; 180 SEQUENTIAL INTRASTRAND; 34 REMARK 3 INTERSTRAND; AND 37. H-BONDS (C) BETWEEN PROTEIN AND DNA: REMARK 3 117. THE TORSION ANGLE RESTRAINTS ARE SUBDIVIDED AS REMARK 3 FOLLOWS: 144 ANGLES FOR THE PROTEIN (58 PHI, 56 PSI, 26 REMARK 3 CHI1 AND 4 CHI2) AND. 152 FOR THE DNA. THE TORSION ANGLE REMARK 3 RESTRAINTS FOR THE DNA COMPRISE LOOSE RESTRAINTS ON THE REMARK 3 BACKBONE TORSION ANGLES ALPHA, BETA, GAMMA, EPSILON AND REMARK 3 ZETA TO PREVENT PROBLEMS ASSOCIATED WITH LOCAL MIRROR REMARK 3 IMAGES. 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 3GAT 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 50.250 -27.763 2.413 REMARK 3 POINT 2 50.328 -26.611 3.418 REMARK 4 REMARK 4 2GAT 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 : 600 MHZ, 500 MHZ, 360 MHZ, REMARK 210 750 MHZ REMARK 210 SPECTROMETER MODEL : AM360, DMX500, AMX600, DMX750 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 OF 1 MOLECULE OF REMARK 210 DNA. 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: 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 B 103 C5 DT B 103 C7 0.036 REMARK 500 DT B 109 C5 DT B 109 C7 0.036 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 DG B 101 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT B 102 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT B 103 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 104 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC B 105 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 106 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA B 106 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DG B 107 O4' - C1' - N9 ANGL. DEV. = 3.8 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 DT B 109 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 110 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 110 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA B 111 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 111 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA B 112 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 112 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA B 114 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 114 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DT B 115 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT B 116 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA C 117 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA C 117 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA C 118 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA C 118 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DT C 119 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG C 120 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT C 121 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT C 121 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT C 122 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT C 123 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA C 124 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA C 124 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DT C 125 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 126 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT C 127 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG C 128 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC C 129 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA C 130 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA C 130 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA C 131 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA C 131 N1 - C2 - N3 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC C 132 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN A 11 2.36 59.97 REMARK 500 ASP A 49 -75.90 -58.94 REMARK 500 LYS A 57 178.89 -53.99 REMARK 500 SER A 59 35.51 -66.54 REMARK 500 LYS A 63 -75.13 1.59 REMARK 500 LYS A 64 -139.84 -142.06 REMARK 500 ARG A 65 -122.42 69.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 47 0.10 SIDE_CHAIN 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 7 SG REMARK 620 2 CYS A 10 SG 106.0 REMARK 620 3 CYS A 28 SG 111.8 112.5 REMARK 620 4 CYS A 31 SG 110.0 109.2 107.4 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: 3GAT RELATED DB: PDB REMARK 900 ENSEMBLE OF 34 STRUCTURES DBREF 2GAT A 1 66 UNP P17678 GATA1_CHICK 158 223 DBREF 2GAT B 101 116 PDB 2GAT 2GAT 101 116 DBREF 2GAT C 117 132 PDB 2GAT 2GAT 117 132 SEQRES 1 B 16 DG DT DT DG DC DA DG DA DT DA DA DA DC SEQRES 2 B 16 DA DT DT SEQRES 1 C 16 DA DA DT DG DT DT DT DA DT DC DT DG DC SEQRES 2 C 16 DA DA DC SEQRES 1 A 66 LYS ARG ALA GLY THR VAL CYS SER ASN CYS GLN THR SER SEQRES 2 A 66 THR THR THR LEU TRP ARG ARG SER PRO MET GLY ASP PRO SEQRES 3 A 66 VAL CYS ASN ALA CYS GLY LEU TYR TYR LYS LEU HIS GLN SEQRES 4 A 66 VAL ASN ARG PRO LEU THR MET ARG LYS ASP GLY ILE GLN SEQRES 5 A 66 THR ARG ASN ARG LYS VAL SER SER LYS GLY LYS LYS ARG SEQRES 6 A 66 ARG HET ZN A 67 1 HETNAM ZN ZINC ION FORMUL 4 ZN ZN 2+ HELIX 1 1 ASN A 29 HIS A 38 1 10 HELIX 2 2 LEU A 44 MET A 46 5 3 SHEET 1 A 2 TRP A 18 ARG A 20 0 SHEET 2 A 2 PRO A 26 CYS A 28 -1 N VAL A 27 O ARG A 19 LINK ZN ZN A 67 SG CYS A 7 1555 1555 2.27 LINK ZN ZN A 67 SG CYS A 10 1555 1555 2.27 LINK ZN ZN A 67 SG CYS A 28 1555 1555 2.33 LINK ZN ZN A 67 SG CYS A 31 1555 1555 2.28 SITE 1 AC1 4 CYS A 7 CYS A 10 CYS A 28 CYS A 31 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' DG B 101 19.233 23.358 7.852 1.00 3.16 O ATOM 2 C5' DG B 101 19.772 22.891 9.091 1.00 3.28 C ATOM 3 C4' DG B 101 18.772 22.007 9.843 1.00 3.16 C ATOM 4 O4' DG B 101 17.629 22.791 10.252 1.00 3.12 O ATOM 5 C3' DG B 101 18.265 20.847 8.976 1.00 2.96 C ATOM 6 O3' DG B 101 18.378 19.605 9.686 1.00 2.96 O ATOM 7 C2' DG B 101 16.816 21.170 8.683 1.00 2.78 C ATOM 8 C1' DG B 101 16.432 22.333 9.589 1.00 2.89 C ATOM 9 N9 DG B 101 15.814 23.430 8.817 1.00 2.85 N ATOM 10 C8 DG B 101 16.269 24.062 7.692 1.00 2.86 C ATOM 11 N7 DG B 101 15.509 25.021 7.246 1.00 2.83 N ATOM 12 C5 DG B 101 14.452 25.033 8.152 1.00 2.79 C ATOM 13 C6 DG B 101 13.286 25.867 8.206 1.00 2.76 C ATOM 14 O6 DG B 101 12.966 26.773 7.439 1.00 2.77 O ATOM 15 N1 DG B 101 12.457 25.550 9.296 1.00 2.73 N ATOM 16 C2 DG B 101 12.712 24.548 10.226 1.00 2.74 C ATOM 17 N2 DG B 101 11.810 24.387 11.194 1.00 2.72 N ATOM 18 N3 DG B 101 13.808 23.764 10.174 1.00 2.77 N ATOM 19 C4 DG B 101 14.629 24.059 9.120 1.00 2.79 C ATOM 20 H5' DG B 101 20.027 23.748 9.714 1.00 3.42 H ATOM 21 H5'' DG B 101 20.676 22.315 8.891 1.00 3.35 H ATOM 22 H4' DG B 101 19.258 21.600 10.730 1.00 3.27 H ATOM 23 H3' DG B 101 18.833 20.781 8.042 1.00 2.96 H ATOM 24 H2' DG B 101 16.695 21.458 7.638 1.00 2.71 H ATOM 25 H2'' DG B 101 16.194 20.306 8.900 1.00 2.67 H ATOM 26 H1' DG B 101 15.720 21.985 10.342 1.00 2.85 H ATOM 27 H8 DG B 101 17.202 23.782 7.202 1.00 2.91 H ATOM 28 H1 DG B 101 11.619 26.103 9.393 1.00 2.71 H ATOM 29 H21 DG B 101 10.992 24.978 11.226 1.00 2.70 H ATOM 30 H22 DG B 101 11.945 23.674 11.897 1.00 2.74 H ATOM 31 HO5' DG B 101 19.973 23.542 7.269 1.00 3.27 H ATOM 32 P DT B 102 17.821 18.229 9.053 1.00 2.79 P ATOM 33 OP1 DT B 102 18.601 17.109 9.623 1.00 2.90 O ATOM 34 OP2 DT B 102 17.735 18.397 7.585 1.00 2.67 O ATOM 35 O5' DT B 102 16.320 18.151 9.642 1.00 2.65 O ATOM 36 C5' DT B 102 16.096 18.163 11.056 1.00 2.75 C ATOM 37 C4' DT B 102 14.613 17.978 11.410 1.00 2.61 C ATOM 38 O4' DT B 102 13.872 19.197 11.170 1.00 2.55 O ATOM 39 C3' DT B 102 13.951 16.851 10.604 1.00 2.43 C ATOM 40 O3' DT B 102 13.548 15.784 11.477 1.00 2.44 O ATOM 41 C2' DT B 102 12.747 17.487 9.935 1.00 2.25 C ATOM 42 C1' DT B 102 12.644 18.911 10.467 1.00 2.34 C ATOM 43 N1 DT B 102 12.419 19.899 9.376 1.00 2.27 N ATOM 44 C2 DT B 102 11.280 20.706 9.441 1.00 2.20 C ATOM 45 O2 DT B 102 10.450 20.600 10.341 1.00 2.18 O ATOM 46 N3 DT B 102 11.144 21.639 8.421 1.00 2.17 N ATOM 47 C4 DT B 102 12.026 21.831 7.361 1.00 2.20 C ATOM 48 O4 DT B 102 11.803 22.693 6.513 1.00 2.19 O ATOM 49 C5 DT B 102 13.178 20.947 7.369 1.00 2.26 C ATOM 50 C7 DT B 102 14.216 21.061 6.250 1.00 2.31 C ATOM 51 C6 DT B 102 13.333 20.027 8.359 1.00 2.30 C ATOM 52 H5' DT B 102 16.440 19.114 11.460 1.00 2.86 H ATOM 53 H5'' DT B 102 16.671 17.356 11.511 1.00 2.82 H ATOM 54 H4' DT B 102 14.541 17.733 12.470 1.00 2.70 H ATOM 55 H3' DT B 102 14.638 16.460 9.847 1.00 2.43 H ATOM 56 H2' DT B 102 12.872 17.497 8.851 1.00 2.18 H ATOM 57 H2'' DT B 102 11.852 16.933 10.195 1.00 2.15 H ATOM 58 H1' DT B 102 11.818 18.956 11.176 1.00 2.32 H ATOM 59 H3 DT B 102 10.329 22.234 8.452 1.00 2.13 H ATOM 60 H71 DT B 102 13.706 21.092 5.287 1.00 2.61 H ATOM 61 H72 DT B 102 14.889 20.202 6.274 1.00 2.45 H ATOM 62 H73 DT B 102 14.791 21.977 6.382 1.00 2.53 H ATOM 63 H6 DT B 102 14.194 19.369 8.348 1.00 2.36 H ATOM 64 P DT B 103 12.647 14.554 10.944 1.00 2.30 P ATOM 65 OP1 DT B 103 12.724 13.459 11.936 1.00 2.42 O ATOM 66 OP2 DT B 103 13.004 14.297 9.531 1.00 2.21 O ATOM 67 O5' DT B 103 11.152 15.167 10.984 1.00 2.12 O ATOM 68 C5' DT B 103 10.570 15.578 12.226 1.00 2.19 C ATOM 69 C4' DT B 103 9.120 16.059 12.061 1.00 2.02 C ATOM 70 O4' DT B 103 9.073 17.329 11.373 1.00 1.96 O ATOM 71 C3' DT B 103 8.253 15.064 11.278 1.00 1.86 C ATOM 72 O3' DT B 103 7.272 14.470 12.136 1.00 1.85 O ATOM 73 C2' DT B 103 7.588 15.877 10.182 1.00 1.68 C ATOM 74 C1' DT B 103 8.020 17.327 10.386 1.00 1.76 C ATOM 75 N1 DT B 103 8.497 17.928 9.113 1.00 1.71 N ATOM 76 C2 DT B 103 7.817 19.036 8.604 1.00 1.64 C ATOM 77 O2 DT B 103 6.829 19.513 9.157 1.00 1.62 O ATOM 78 N3 DT B 103 8.333 19.567 7.429 1.00 1.64 N ATOM 79 C4 DT B 103 9.444 19.096 6.732 1.00 1.67 C ATOM 80 O4 DT B 103 9.811 19.649 5.698 1.00 1.68 O ATOM 81 C5 DT B 103 10.084 17.940 7.332 1.00 1.73 C ATOM 82 C7 DT B 103 11.314 17.328 6.654 1.00 1.80 C ATOM 83 C6 DT B 103 9.596 17.405 8.481 1.00 1.75 C ATOM 84 H5' DT B 103 11.165 16.391 12.643 1.00 2.30 H ATOM 85 H5'' DT B 103 10.585 14.737 12.919 1.00 2.26 H ATOM 86 H4' DT B 103 8.686 16.188 13.052 1.00 2.09 H ATOM 87 H3' DT B 103 8.872 14.277 10.836 1.00 1.89 H ATOM 88 H2' DT B 103 7.910 15.526 9.200 1.00 1.63 H ATOM 89 H2'' DT B 103 6.504 15.790 10.262 1.00 1.57 H ATOM 90 H1' DT B 103 7.180 17.901 10.776 1.00 1.72 H ATOM 91 H3 DT B 103 7.859 20.370 7.044 1.00 1.62 H ATOM 92 H71 DT B 103 11.624 16.423 7.179 1.00 2.02 H ATOM 93 H72 DT B 103 12.130 18.051 6.667 1.00 2.19 H ATOM 94 H73 DT B 103 11.069 17.080 5.621 1.00 2.04 H ATOM 95 H6 DT B 103 10.074 16.535 8.913 1.00 1.82 H ATOM 96 P DG B 104 6.164 13.459 11.547 1.00 1.74 P ATOM 97 OP1 DG B 104 5.477 12.811 12.687 1.00 1.84 O ATOM 98 OP2 DG B 104 6.804 12.629 10.503 1.00 1.72 O ATOM 99 O5' DG B 104 5.121 14.456 10.830 1.00 1.56 O ATOM 100 C5' DG B 104 4.284 15.320 11.606 1.00 1.56 C ATOM 101 C4' DG B 104 3.207 15.986 10.742 1.00 1.39 C ATOM 102 O4' DG B 104 3.818 16.844 9.749 1.00 1.33 O ATOM 103 C3' DG B 104 2.337 14.956 10.012 1.00 1.27 C ATOM 104 O3' DG B 104 0.955 15.129 10.347 1.00 1.19 O ATOM 105 C2' DG B 104 2.553 15.212 8.538 1.00 1.14 C ATOM 106 C1' DG B 104 3.404 16.463 8.419 1.00 1.18 C ATOM 107 N9 DG B 104 4.576 16.238 7.547 1.00 1.16 N ATOM 108 C8 DG B 104 5.540 15.269 7.619 1.00 1.23 C ATOM 109 N7 DG B 104 6.477 15.350 6.717 1.00 1.20 N ATOM 110 C5 DG B 104 6.108 16.469 5.974 1.00 1.12 C ATOM 111 C6 DG B 104 6.735 17.083 4.836 1.00 1.09 C ATOM 112 O6 DG B 104 7.769 16.743 4.262 1.00 1.11 O ATOM 113 N1 DG B 104 6.026 18.208 4.383 1.00 1.05 N ATOM 114 C2 DG B 104 4.854 18.693 4.950 1.00 1.04 C ATOM 115 N2 DG B 104 4.316 19.773 4.383 1.00 1.04 N ATOM 116 N3 DG B 104 4.265 18.118 6.018 1.00 1.06 N ATOM 117 C4 DG B 104 4.940 17.019 6.476 1.00 1.10 C ATOM 118 H5' DG B 104 4.901 16.094 12.064 1.00 1.64 H ATOM 119 H5'' DG B 104 3.801 14.738 12.391 1.00 1.62 H ATOM 120 H4' DG B 104 2.568 16.592 11.384 1.00 1.41 H ATOM 121 H3' DG B 104 2.645 13.936 10.264 1.00 1.35 H ATOM 122 H2' DG B 104 3.063 14.368 8.069 1.00 1.15 H ATOM 123 H2'' DG B 104 1.594 15.378 8.060 1.00 1.05 H ATOM 124 H1' DG B 104 2.797 17.263 7.990 1.00 1.11 H ATOM 125 H8 DG B 104 5.522 14.483 8.373 1.00 1.31 H ATOM 126 H1 DG B 104 6.416 18.687 3.583 1.00 1.06 H ATOM 127 H21 DG B 104 4.762 20.198 3.583 1.00 1.05 H ATOM 128 H22 DG B 104 3.463 20.166 4.754 1.00 1.04 H ATOM 129 P DC B 105 -0.176 14.228 9.635 1.00 1.10 P ATOM 130 OP1 DC B 105 -1.439 14.380 10.391 1.00 1.13 O ATOM 131 OP2 DC B 105 0.396 12.882 9.412 1.00 1.17 O ATOM 132 O5' DC B 105 -0.356 14.945 8.196 1.00 0.93 O ATOM 133 C5' DC B 105 -0.893 16.271 8.103 1.00 0.87 C ATOM 134 C4' DC B 105 -1.172 16.689 6.648 1.00 0.74 C ATOM 135 O4' DC B 105 0.067 16.867 5.917 1.00 0.73 O ATOM 136 C3' DC B 105 -2.024 15.658 5.893 1.00 0.67 C ATOM 137 O3' DC B 105 -3.218 16.282 5.387 1.00 0.63 O ATOM 138 C2' DC B 105 -1.146 15.171 4.759 1.00 0.61 C ATOM 139 C1' DC B 105 0.025 16.137 4.671 1.00 0.63 C ATOM 140 N1 DC B 105 1.312 15.429 4.428 1.00 0.67 N ATOM 141 C2 DC B 105 2.036 15.738 3.269 1.00 0.64 C ATOM 142 O2 DC B 105 1.593 16.550 2.459 1.00 0.58 O ATOM 143 N3 DC B 105 3.237 15.110 3.079 1.00 0.69 N ATOM 144 C4 DC B 105 3.712 14.220 3.978 1.00 0.79 C ATOM 145 N4 DC B 105 4.888 13.633 3.758 1.00 0.87 N ATOM 146 C5 DC B 105 2.971 13.899 5.166 1.00 0.84 C ATOM 147 C6 DC B 105 1.783 14.526 5.341 1.00 0.78 C ATOM 148 H5' DC B 105 -0.182 16.972 8.540 1.00 0.94 H ATOM 149 H5'' DC B 105 -1.825 16.315 8.667 1.00 0.89 H ATOM 150 H4' DC B 105 -1.707 17.638 6.659 1.00 0.73 H ATOM 151 H3' DC B 105 -2.297 14.823 6.545 1.00 0.73 H ATOM 152 H2' DC B 105 -0.787 14.161 4.961 1.00 0.68 H ATOM 153 H2'' DC B 105 -1.701 15.183 3.834 1.00 0.55 H ATOM 154 H1' DC B 105 -0.166 16.838 3.858 1.00 0.58 H ATOM 155 H41 DC B 105 5.415 13.855 2.926 1.00 0.84 H ATOM 156 H42 DC B 105 5.252 12.967 4.424 1.00 0.96 H ATOM 157 H5 DC B 105 3.351 13.186 5.898 1.00 0.95 H ATOM 158 H6 DC B 105 1.184 14.304 6.213 1.00 0.82 H ATOM 159 P DA B 106 -4.232 15.501 4.397 1.00 0.59 P ATOM 160 OP1 DA B 106 -5.575 16.105 4.542 1.00 0.63 O ATOM 161 OP2 DA B 106 -4.051 14.047 4.604 1.00 0.63 O ATOM 162 O5' DA B 106 -3.663 15.878 2.930 1.00 0.50 O ATOM 163 C5' DA B 106 -3.651 17.240 2.481 1.00 0.50 C ATOM 164 C4' DA B 106 -3.345 17.361 0.976 1.00 0.44 C ATOM 165 O4' DA B 106 -1.946 17.103 0.713 1.00 0.42 O ATOM 166 C3' DA B 106 -4.180 16.394 0.126 1.00 0.42 C ATOM 167 O3' DA B 106 -4.957 17.124 -0.833 1.00 0.44 O ATOM 168 C2' DA B 106 -3.177 15.486 -0.563 1.00 0.37 C ATOM 169 C1' DA B 106 -1.789 16.026 -0.238 1.00 0.37 C ATOM 170 N9 DA B 106 -0.945 14.973 0.329 1.00 0.34 N ATOM 171 C8 DA B 106 -1.195 14.222 1.419 1.00 0.34 C ATOM 172 N7 DA B 106 -0.250 13.406 1.771 1.00 0.32 N ATOM 173 C5 DA B 106 0.724 13.630 0.800 1.00 0.30 C ATOM 174 C6 DA B 106 2.002 13.076 0.565 1.00 0.29 C ATOM 175 N6 DA B 106 2.539 12.140 1.346 1.00 0.31 N ATOM 176 N1 DA B 106 2.705 13.527 -0.511 1.00 0.30 N ATOM 177 C2 DA B 106 2.185 14.470 -1.316 1.00 0.31 C ATOM 178 N3 DA B 106 0.987 15.060 -1.178 1.00 0.32 N ATOM 179 C4 DA B 106 0.306 14.587 -0.092 1.00 0.31 C ATOM 180 H5' DA B 106 -2.893 17.789 3.040 1.00 0.52 H ATOM 181 H5'' DA B 106 -4.626 17.685 2.679 1.00 0.53 H ATOM 182 H4' DA B 106 -3.573 18.380 0.661 1.00 0.47 H ATOM 183 H3' DA B 106 -4.849 15.801 0.758 1.00 0.45 H ATOM 184 H2' DA B 106 -3.274 14.464 -0.191 1.00 0.37 H ATOM 185 H2'' DA B 106 -3.340 15.498 -1.636 1.00 0.37 H ATOM 186 H1' DA B 106 -1.319 16.406 -1.137 1.00 0.37 H ATOM 187 H8 DA B 106 -2.156 14.253 1.902 1.00 0.37 H ATOM 188 H61 DA B 106 3.457 11.773 1.137 1.00 0.32 H ATOM 189 H62 DA B 106 2.029 11.795 2.147 1.00 0.32 H ATOM 190 H2 DA B 106 2.789 14.769 -2.171 1.00 0.33 H ATOM 191 P DG B 107 -5.811 16.366 -1.969 1.00 0.44 P ATOM 192 OP1 DG B 107 -6.778 17.328 -2.543 1.00 0.49 O ATOM 193 OP2 DG B 107 -6.291 15.082 -1.409 1.00 0.45 O ATOM 194 O5' DG B 107 -4.696 16.042 -3.089 1.00 0.40 O ATOM 195 C5' DG B 107 -3.870 17.083 -3.624 1.00 0.41 C ATOM 196 C4' DG B 107 -2.882 16.538 -4.662 1.00 0.37 C ATOM 197 O4' DG B 107 -1.753 15.892 -4.018 1.00 0.33 O ATOM 198 C3' DG B 107 -3.538 15.513 -5.598 1.00 0.37 C ATOM 199 O3' DG B 107 -3.468 15.967 -6.960 1.00 0.39 O ATOM 200 C2' DG B 107 -2.741 14.240 -5.409 1.00 0.33 C ATOM 201 C1' DG B 107 -1.483 14.628 -4.663 1.00 0.30 C ATOM 202 N9 DG B 107 -1.078 13.583 -3.693 1.00 0.28 N ATOM 203 C8 DG B 107 -1.747 13.087 -2.598 1.00 0.31 C ATOM 204 N7 DG B 107 -1.120 12.185 -1.935 1.00 0.32 N ATOM 205 C5 DG B 107 0.068 12.041 -2.619 1.00 0.28 C ATOM 206 C6 DG B 107 1.166 11.179 -2.349 1.00 0.28 C ATOM 207 O6 DG B 107 1.274 10.383 -1.430 1.00 0.33 O ATOM 208 N1 DG B 107 2.198 11.319 -3.284 1.00 0.25 N ATOM 209 C2 DG B 107 2.180 12.195 -4.363 1.00 0.24 C ATOM 210 N2 DG B 107 3.249 12.176 -5.162 1.00 0.25 N ATOM 211 N3 DG B 107 1.135 13.021 -4.619 1.00 0.25 N ATOM 212 C4 DG B 107 0.117 12.889 -3.706 1.00 0.26 C ATOM 213 H5' DG B 107 -3.312 17.548 -2.812 1.00 0.41 H ATOM 214 H5'' DG B 107 -4.504 17.833 -4.096 1.00 0.44 H ATOM 215 H4' DG B 107 -2.512 17.371 -5.261 1.00 0.39 H ATOM 216 H3' DG B 107 -4.584 15.343 -5.323 1.00 0.40 H ATOM 217 H2' DG B 107 -3.310 13.513 -4.824 1.00 0.34 H ATOM 218 H2'' DG B 107 -2.486 13.824 -6.370 1.00 0.32 H ATOM 219 H1' DG B 107 -0.675 14.765 -5.386 1.00 0.29 H ATOM 220 H8 DG B 107 -2.752 13.381 -2.323 1.00 0.33 H ATOM 221 H1 DG B 107 3.005 10.729 -3.144 1.00 0.25 H ATOM 222 H21 DG B 107 4.020 11.555 -4.960 1.00 0.25 H ATOM 223 H22 DG B 107 3.287 12.781 -5.970 1.00 0.27 H ATOM 224 P DA B 108 -3.943 15.030 -8.187 1.00 0.42 P ATOM 225 OP1 DA B 108 -4.410 15.906 -9.285 1.00 0.48 O ATOM 226 OP2 DA B 108 -4.838 13.981 -7.649 1.00 0.44 O ATOM 227 O5' DA B 108 -2.565 14.328 -8.652 1.00 0.38 O ATOM 228 C5' DA B 108 -1.458 15.119 -9.104 1.00 0.38 C ATOM 229 C4' DA B 108 -0.341 14.257 -9.710 1.00 0.35 C ATOM 230 O4' DA B 108 0.365 13.536 -8.671 1.00 0.30 O ATOM 231 C3' DA B 108 -0.880 13.228 -10.712 1.00 0.37 C ATOM 232 O3' DA B 108 -0.123 13.289 -11.932 1.00 0.40 O ATOM 233 C2' DA B 108 -0.704 11.888 -10.028 1.00 0.35 C ATOM 234 C1' DA B 108 0.295 12.112 -8.905 1.00 0.29 C ATOM 235 N9 DA B 108 -0.095 11.398 -7.671 1.00 0.27 N ATOM 236 C8 DA B 108 -1.281 11.431 -6.988 1.00 0.34 C ATOM 237 N7 DA B 108 -1.299 10.772 -5.870 1.00 0.43 N ATOM 238 C5 DA B 108 -0.013 10.246 -5.800 1.00 0.40 C ATOM 239 C6 DA B 108 0.646 9.437 -4.853 1.00 0.50 C ATOM 240 N6 DA B 108 0.081 9.064 -3.714 1.00 0.71 N ATOM 241 N1 DA B 108 1.933 9.079 -5.095 1.00 0.44 N ATOM 242 C2 DA B 108 2.555 9.497 -6.203 1.00 0.30 C ATOM 243 N3 DA B 108 2.028 10.277 -7.163 1.00 0.24 N ATOM 244 C4 DA B 108 0.729 10.615 -6.895 1.00 0.28 C ATOM 245 H5' DA B 108 -1.055 15.678 -8.259 1.00 0.37 H ATOM 246 H5'' DA B 108 -1.811 15.823 -9.858 1.00 0.43 H ATOM 247 H4' DA B 108 0.364 14.910 -10.225 1.00 0.38 H ATOM 248 H3' DA B 108 -1.937 13.407 -10.928 1.00 0.40 H ATOM 249 H2' DA B 108 -1.655 11.548 -9.615 1.00 0.38 H ATOM 250 H2'' DA B 108 -0.324 11.156 -10.731 1.00 0.39 H ATOM 251 H1' DA B 108 1.278 11.756 -9.223 1.00 0.28 H ATOM 252 H8 DA B 108 -2.154 11.946 -7.366 1.00 0.34 H ATOM 253 H61 DA B 108 0.591 8.484 -3.064 1.00 0.78 H ATOM 254 H62 DA B 108 -0.859 9.361 -3.496 1.00 0.79 H ATOM 255 H2 DA B 108 3.579 9.161 -6.343 1.00 0.27 H ATOM 256 P DT B 109 -0.373 12.244 -13.136 1.00 0.44 P ATOM 257 OP1 DT B 109 -0.124 12.945 -14.415 1.00 0.52 O ATOM 258 OP2 DT B 109 -1.669 11.569 -12.903 1.00 0.48 O ATOM 259 O5' DT B 109 0.806 11.163 -12.916 1.00 0.36 O ATOM 260 C5' DT B 109 2.180 11.567 -12.961 1.00 0.35 C ATOM 261 C4' DT B 109 3.137 10.382 -12.767 1.00 0.30 C ATOM 262 O4' DT B 109 3.047 9.869 -11.419 1.00 0.24 O ATOM 263 C3' DT B 109 2.849 9.229 -13.737 1.00 0.31 C ATOM 264 O3' DT B 109 3.953 9.039 -14.628 1.00 0.34 O ATOM 265 C2' DT B 109 2.642 8.004 -12.867 1.00 0.26 C ATOM 266 C1' DT B 109 2.927 8.431 -11.430 1.00 0.22 C ATOM 267 N1 DT B 109 1.838 7.996 -10.520 1.00 0.21 N ATOM 268 C2 DT B 109 2.148 7.111 -9.485 1.00 0.22 C ATOM 269 O2 DT B 109 3.278 6.656 -9.324 1.00 0.24 O ATOM 270 N3 DT B 109 1.093 6.777 -8.647 1.00 0.25 N ATOM 271 C4 DT B 109 -0.217 7.240 -8.750 1.00 0.27 C ATOM 272 O4 DT B 109 -1.071 6.876 -7.950 1.00 0.31 O ATOM 273 C5 DT B 109 -0.448 8.152 -9.855 1.00 0.26 C ATOM 274 C7 DT B 109 -1.848 8.741 -10.056 1.00 0.31 C ATOM 275 C6 DT B 109 0.570 8.490 -10.690 1.00 0.23 C ATOM 276 H5' DT B 109 2.359 12.299 -12.174 1.00 0.34 H ATOM 277 H5'' DT B 109 2.381 12.029 -13.927 1.00 0.41 H ATOM 278 H4' DT B 109 4.156 10.731 -12.937 1.00 0.33 H ATOM 279 H3' DT B 109 1.944 9.430 -14.320 1.00 0.35 H ATOM 280 H2' DT B 109 1.614 7.647 -12.951 1.00 0.27 H ATOM 281 H2'' DT B 109 3.329 7.214 -13.170 1.00 0.26 H ATOM 282 H1' DT B 109 3.875 8.002 -11.108 1.00 0.23 H ATOM 283 H3 DT B 109 1.295 6.140 -7.891 1.00 0.27 H ATOM 284 H71 DT B 109 -1.859 9.402 -10.924 1.00 1.11 H ATOM 285 H72 DT B 109 -2.131 9.307 -9.168 1.00 1.08 H ATOM 286 H73 DT B 109 -2.562 7.932 -10.209 1.00 1.04 H ATOM 287 H6 DT B 109 0.380 9.152 -11.529 1.00 0.26 H ATOM 288 P DA B 110 3.947 7.841 -15.705 1.00 0.38 P ATOM 289 OP1 DA B 110 5.071 8.056 -16.643 1.00 0.45 O ATOM 290 OP2 DA B 110 2.570 7.693 -16.225 1.00 0.41 O ATOM 291 O5' DA B 110 4.286 6.551 -14.800 1.00 0.35 O ATOM 292 C5' DA B 110 5.587 6.378 -14.229 1.00 0.35 C ATOM 293 C4' DA B 110 5.736 4.996 -13.585 1.00 0.33 C ATOM 294 O4' DA B 110 4.753 4.822 -12.535 1.00 0.29 O ATOM 295 C3' DA B 110 5.538 3.869 -14.605 1.00 0.36 C ATOM 296 O3' DA B 110 6.595 2.904 -14.485 1.00 0.40 O ATOM 297 C2' DA B 110 4.199 3.254 -14.259 1.00 0.33 C ATOM 298 C1' DA B 110 3.837 3.754 -12.866 1.00 0.28 C ATOM 299 N9 DA B 110 2.436 4.226 -12.797 1.00 0.24 N ATOM 300 C8 DA B 110 1.763 5.079 -13.632 1.00 0.26 C ATOM 301 N7 DA B 110 0.526 5.316 -13.303 1.00 0.27 N ATOM 302 C5 DA B 110 0.357 4.558 -12.147 1.00 0.24 C ATOM 303 C6 DA B 110 -0.737 4.355 -11.273 1.00 0.25 C ATOM 304 N6 DA B 110 -1.923 4.934 -11.455 1.00 0.29 N ATOM 305 N1 DA B 110 -0.560 3.528 -10.203 1.00 0.23 N ATOM 306 C2 DA B 110 0.626 2.930 -9.998 1.00 0.22 C ATOM 307 N3 DA B 110 1.721 3.055 -10.765 1.00 0.22 N ATOM 308 C4 DA B 110 1.516 3.889 -11.829 1.00 0.22 C ATOM 309 H5' DA B 110 5.748 7.143 -13.470 1.00 0.33 H ATOM 310 H5'' DA B 110 6.337 6.490 -15.012 1.00 0.40 H ATOM 311 H4' DA B 110 6.733 4.912 -13.154 1.00 0.37 H ATOM 312 H3' DA B 110 5.521 4.262 -15.626 1.00 0.38 H ATOM 313 H2' DA B 110 3.440 3.568 -14.977 1.00 0.34 H ATOM 314 H2'' DA B 110 4.278 2.173 -14.259 1.00 0.36 H ATOM 315 H1' DA B 110 3.968 2.936 -12.151 1.00 0.29 H ATOM 316 H8 DA B 110 2.231 5.532 -14.506 1.00 0.29 H ATOM 317 H61 DA B 110 -2.676 4.759 -10.804 1.00 0.31 H ATOM 318 H62 DA B 110 -2.070 5.548 -12.243 1.00 0.32 H ATOM 319 H2 DA B 110 0.708 2.286 -9.123 1.00 0.23 H ATOM 320 P DA B 111 6.597 1.548 -15.358 1.00 0.45 P ATOM 321 OP1 DA B 111 8.002 1.197 -15.663 1.00 0.54 O ATOM 322 OP2 DA B 111 5.619 1.702 -16.457 1.00 0.47 O ATOM 323 O5' DA B 111 6.020 0.461 -14.316 1.00 0.39 O ATOM 324 C5' DA B 111 6.614 0.313 -13.022 1.00 0.41 C ATOM 325 C4' DA B 111 5.849 -0.688 -12.146 1.00 0.36 C ATOM 326 O4' DA B 111 4.576 -0.139 -11.738 1.00 0.31 O ATOM 327 C3' DA B 111 5.592 -2.019 -12.862 1.00 0.36 C ATOM 328 O3' DA B 111 6.284 -3.082 -12.198 1.00 0.41 O ATOM 329 C2' DA B 111 4.093 -2.235 -12.801 1.00 0.31 C ATOM 330 C1' DA B 111 3.510 -1.075 -12.000 1.00 0.28 C ATOM 331 N9 DA B 111 2.420 -0.420 -12.746 1.00 0.25 N ATOM 332 C8 DA B 111 2.451 0.140 -13.990 1.00 0.26 C ATOM 333 N7 DA B 111 1.328 0.658 -14.396 1.00 0.26 N ATOM 334 C5 DA B 111 0.471 0.418 -13.326 1.00 0.24 C ATOM 335 C6 DA B 111 -0.892 0.712 -13.093 1.00 0.25 C ATOM 336 N6 DA B 111 -1.656 1.348 -13.981 1.00 0.29 N ATOM 337 N1 DA B 111 -1.436 0.325 -11.905 1.00 0.26 N ATOM 338 C2 DA B 111 -0.686 -0.315 -10.991 1.00 0.26 C ATOM 339 N3 DA B 111 0.610 -0.639 -11.114 1.00 0.25 N ATOM 340 C4 DA B 111 1.128 -0.240 -12.313 1.00 0.24 C ATOM 341 H5' DA B 111 6.624 1.283 -12.524 1.00 0.41 H ATOM 342 H5'' DA B 111 7.640 -0.035 -13.141 1.00 0.48 H ATOM 343 H4' DA B 111 6.440 -0.888 -11.256 1.00 0.41 H ATOM 344 H3' DA B 111 5.921 -1.969 -13.904 1.00 0.38 H ATOM 345 H2' DA B 111 3.668 -2.237 -13.808 1.00 0.31 H ATOM 346 H2'' DA B 111 3.876 -3.185 -12.308 1.00 0.33 H ATOM 347 H1' DA B 111 3.120 -1.444 -11.049 1.00 0.30 H ATOM 348 H8 DA B 111 3.350 0.147 -14.598 1.00 0.28 H ATOM 349 H61 DA B 111 -2.625 1.536 -13.770 1.00 0.32 H ATOM 350 H62 DA B 111 -1.265 1.642 -14.864 1.00 0.31 H ATOM 351 H2 DA B 111 -1.176 -0.594 -10.059 1.00 0.29 H ATOM 352 P DA B 112 6.130 -4.605 -12.697 1.00 0.45 P ATOM 353 OP1 DA B 112 7.243 -5.395 -12.123 1.00 0.54 O ATOM 354 OP2 DA B 112 5.911 -4.593 -14.160 1.00 0.45 O ATOM 355 O5' DA B 112 4.762 -5.075 -11.988 1.00 0.43 O ATOM 356 C5' DA B 112 4.673 -5.177 -10.563 1.00 0.47 C ATOM 357 C4' DA B 112 3.264 -5.583 -10.121 1.00 0.49 C ATOM 358 O4' DA B 112 2.303 -4.603 -10.586 1.00 0.41 O ATOM 359 C3' DA B 112 2.856 -6.954 -10.689 1.00 0.52 C ATOM 360 O3' DA B 112 2.342 -7.807 -9.650 1.00 0.61 O ATOM 361 C2' DA B 112 1.784 -6.645 -11.709 1.00 0.44 C ATOM 362 C1' DA B 112 1.299 -5.236 -11.407 1.00 0.38 C ATOM 363 N9 DA B 112 1.048 -4.474 -12.648 1.00 0.31 N ATOM 364 C8 DA B 112 1.848 -4.304 -13.746 1.00 0.31 C ATOM 365 N7 DA B 112 1.341 -3.570 -14.694 1.00 0.30 N ATOM 366 C5 DA B 112 0.093 -3.224 -14.186 1.00 0.28 C ATOM 367 C6 DA B 112 -0.976 -2.450 -14.690 1.00 0.31 C ATOM 368 N6 DA B 112 -0.940 -1.856 -15.883 1.00 0.36 N ATOM 369 N1 DA B 112 -2.088 -2.311 -13.914 1.00 0.32 N ATOM 370 C2 DA B 112 -2.150 -2.899 -12.707 1.00 0.32 C ATOM 371 N3 DA B 112 -1.195 -3.649 -12.141 1.00 0.32 N ATOM 372 C4 DA B 112 -0.095 -3.770 -12.939 1.00 0.29 C ATOM 373 H5' DA B 112 4.919 -4.211 -10.120 1.00 0.46 H ATOM 374 H5'' DA B 112 5.386 -5.923 -10.212 1.00 0.53 H ATOM 375 H4' DA B 112 3.230 -5.625 -9.032 1.00 0.56 H ATOM 376 H3' DA B 112 3.706 -7.445 -11.173 1.00 0.54 H ATOM 377 H2' DA B 112 2.197 -6.693 -12.715 1.00 0.43 H ATOM 378 H2'' DA B 112 0.970 -7.343 -11.619 1.00 0.48 H ATOM 379 H1' DA B 112 0.369 -5.293 -10.835 1.00 0.42 H ATOM 380 H8 DA B 112 2.824 -4.775 -13.834 1.00 0.34 H ATOM 381 H61 DA B 112 -1.729 -1.313 -16.201 1.00 0.41 H ATOM 382 H62 DA B 112 -0.123 -1.950 -16.469 1.00 0.39 H ATOM 383 H2 DA B 112 -3.065 -2.753 -12.134 1.00 0.37 H ATOM 384 P DC B 113 1.673 -9.239 -9.997 1.00 0.69 P ATOM 385 OP1 DC B 113 1.926 -10.163 -8.871 1.00 0.80 O ATOM 386 OP2 DC B 113 2.086 -9.619 -11.367 1.00 0.67 O ATOM 387 O5' DC B 113 0.093 -8.898 -10.025 1.00 0.66 O ATOM 388 C5' DC B 113 -0.576 -8.443 -8.842 1.00 0.68 C ATOM 389 C4' DC B 113 -2.105 -8.434 -9.002 1.00 0.67 C ATOM 390 O4' DC B 113 -2.522 -7.359 -9.877 1.00 0.58 O ATOM 391 C3' DC B 113 -2.644 -9.752 -9.574 1.00 0.73 C ATOM 392 O3' DC B 113 -3.579 -10.344 -8.656 1.00 0.81 O ATOM 393 C2' DC B 113 -3.327 -9.381 -10.875 1.00 0.66 C ATOM 394 C1' DC B 113 -3.318 -7.864 -10.973 1.00 0.57 C ATOM 395 N1 DC B 113 -2.755 -7.402 -12.267 1.00 0.50 N ATOM 396 C2 DC B 113 -3.543 -6.584 -13.086 1.00 0.45 C ATOM 397 O2 DC B 113 -4.704 -6.330 -12.774 1.00 0.48 O ATOM 398 N3 DC B 113 -2.977 -6.089 -14.228 1.00 0.41 N ATOM 399 C4 DC B 113 -1.700 -6.375 -14.559 1.00 0.41 C ATOM 400 N4 DC B 113 -1.191 -5.864 -15.680 1.00 0.41 N ATOM 401 C5 DC B 113 -0.886 -7.217 -13.724 1.00 0.45 C ATOM 402 C6 DC B 113 -1.464 -7.710 -12.596 1.00 0.49 C ATOM 403 H5' DC B 113 -0.239 -7.433 -8.613 1.00 0.64 H ATOM 404 H5'' DC B 113 -0.312 -9.100 -8.013 1.00 0.77 H ATOM 405 H4' DC B 113 -2.553 -8.275 -8.022 1.00 0.72 H ATOM 406 H3' DC B 113 -1.828 -10.456 -9.765 1.00 0.76 H ATOM 407 H2' DC B 113 -2.796 -9.815 -11.725 1.00 0.65 H ATOM 408 H2'' DC B 113 -4.350 -9.735 -10.860 1.00 0.71 H ATOM 409 H1' DC B 113 -4.339 -7.502 -10.867 1.00 0.58 H ATOM 410 H41 DC B 113 -1.761 -5.273 -16.268 1.00 0.41 H ATOM 411 H42 DC B 113 -0.237 -6.068 -15.941 1.00 0.42 H ATOM 412 H5 DC B 113 0.163 -7.413 -13.964 1.00 0.46 H ATOM 413 H6 DC B 113 -0.918 -8.398 -11.961 1.00 0.55 H ATOM 414 P DA B 114 -4.469 -11.629 -9.067 1.00 0.89 P ATOM 415 OP1 DA B 114 -5.137 -12.138 -7.848 1.00 0.99 O ATOM 416 OP2 DA B 114 -3.625 -12.535 -9.878 1.00 0.92 O ATOM 417 O5' DA B 114 -5.597 -10.988 -10.032 1.00 0.85 O ATOM 418 C5' DA B 114 -6.580 -10.084 -9.510 1.00 0.83 C ATOM 419 C4' DA B 114 -7.677 -9.767 -10.539 1.00 0.82 C ATOM 420 O4' DA B 114 -7.159 -8.929 -11.602 1.00 0.72 O ATOM 421 C3' DA B 114 -8.267 -11.034 -11.174 1.00 0.92 C ATOM 422 O3' DA B 114 -9.671 -11.129 -10.886 1.00 0.97 O ATOM 423 C2' DA B 114 -8.029 -10.891 -12.665 1.00 0.91 C ATOM 424 C1' DA B 114 -7.455 -9.502 -12.896 1.00 0.78 C ATOM 425 N9 DA B 114 -6.246 -9.550 -13.733 1.00 0.75 N ATOM 426 C8 DA B 114 -5.084 -10.205 -13.497 1.00 0.78 C ATOM 427 N7 DA B 114 -4.146 -10.023 -14.379 1.00 0.77 N ATOM 428 C5 DA B 114 -4.747 -9.166 -15.295 1.00 0.72 C ATOM 429 C6 DA B 114 -4.302 -8.566 -16.494 1.00 0.70 C ATOM 430 N6 DA B 114 -3.071 -8.740 -16.973 1.00 0.74 N ATOM 431 N1 DA B 114 -5.169 -7.762 -17.169 1.00 0.67 N ATOM 432 C2 DA B 114 -6.409 -7.552 -16.695 1.00 0.66 C ATOM 433 N3 DA B 114 -6.926 -8.069 -15.568 1.00 0.68 N ATOM 434 C4 DA B 114 -6.034 -8.872 -14.913 1.00 0.70 C ATOM 435 H5' DA B 114 -6.088 -9.155 -9.221 1.00 0.77 H ATOM 436 H5'' DA B 114 -7.040 -10.530 -8.629 1.00 0.91 H ATOM 437 H4' DA B 114 -8.479 -9.228 -10.034 1.00 0.83 H ATOM 438 H3' DA B 114 -7.760 -11.928 -10.798 1.00 0.98 H ATOM 439 H2' DA B 114 -7.321 -11.646 -13.013 1.00 0.96 H ATOM 440 H2'' DA B 114 -8.970 -10.994 -13.197 1.00 0.98 H ATOM 441 H1' DA B 114 -8.195 -8.890 -13.396 1.00 0.77 H ATOM 442 H8 DA B 114 -4.961 -10.846 -12.639 1.00 0.83 H ATOM 443 H61 DA B 114 -2.797 -8.291 -17.835 1.00 0.75 H ATOM 444 H62 DA B 114 -2.412 -9.321 -16.475 1.00 0.79 H ATOM 445 H2 DA B 114 -7.059 -6.908 -17.287 1.00 0.66 H ATOM 446 P DT B 115 -10.594 -12.260 -11.578 1.00 1.09 P ATOM 447 OP1 DT B 115 -11.890 -12.299 -10.864 1.00 1.16 O ATOM 448 OP2 DT B 115 -9.789 -13.494 -11.717 1.00 1.15 O ATOM 449 O5' DT B 115 -10.848 -11.652 -13.053 1.00 1.09 O ATOM 450 C5' DT B 115 -11.600 -10.445 -13.216 1.00 1.05 C ATOM 451 C4' DT B 115 -11.741 -10.037 -14.690 1.00 1.07 C ATOM 452 O4' DT B 115 -10.464 -9.637 -15.238 1.00 0.99 O ATOM 453 C3' DT B 115 -12.294 -11.168 -15.566 1.00 1.21 C ATOM 454 O3' DT B 115 -13.632 -10.880 -15.981 1.00 1.28 O ATOM 455 C2' DT B 115 -11.371 -11.238 -16.768 1.00 1.22 C ATOM 456 C1' DT B 115 -10.314 -10.153 -16.577 1.00 1.07 C ATOM 457 N1 DT B 115 -8.946 -10.700 -16.784 1.00 1.07 N ATOM 458 C2 DT B 115 -8.176 -10.189 -17.831 1.00 1.05 C ATOM 459 O2 DT B 115 -8.590 -9.310 -18.584 1.00 1.06 O ATOM 460 N3 DT B 115 -6.908 -10.739 -17.967 1.00 1.07 N ATOM 461 C4 DT B 115 -6.352 -11.733 -17.166 1.00 1.11 C ATOM 462 O4 DT B 115 -5.213 -12.143 -17.382 1.00 1.15 O ATOM 463 C5 DT B 115 -7.223 -12.205 -16.105 1.00 1.11 C ATOM 464 C7 DT B 115 -6.726 -13.303 -15.161 1.00 1.18 C ATOM 465 C6 DT B 115 -8.467 -11.681 -15.953 1.00 1.09 C ATOM 466 H5' DT B 115 -11.101 -9.642 -12.674 1.00 0.97 H ATOM 467 H5'' DT B 115 -12.595 -10.590 -12.795 1.00 1.12 H ATOM 468 H4' DT B 115 -12.423 -9.189 -14.749 1.00 1.07 H ATOM 469 H3' DT B 115 -12.277 -12.119 -15.025 1.00 1.27 H ATOM 470 H2' DT B 115 -10.893 -12.216 -16.825 1.00 1.27 H ATOM 471 H2'' DT B 115 -11.941 -11.055 -17.681 1.00 1.28 H ATOM 472 H1' DT B 115 -10.499 -9.342 -17.281 1.00 1.07 H ATOM 473 H3 DT B 115 -6.335 -10.385 -18.716 1.00 1.08 H ATOM 474 H71 DT B 115 -7.561 -13.708 -14.586 1.00 1.60 H ATOM 475 H72 DT B 115 -5.985 -12.886 -14.479 1.00 1.62 H ATOM 476 H73 DT B 115 -6.270 -14.102 -15.745 1.00 1.52 H ATOM 477 H6 DT B 115 -9.108 -12.048 -15.162 1.00 1.12 H ATOM 478 P DT B 116 -14.468 -11.948 -16.850 1.00 1.45 P ATOM 479 OP1 DT B 116 -15.883 -11.515 -16.880 1.00 1.51 O ATOM 480 OP2 DT B 116 -14.123 -13.306 -16.371 1.00 1.51 O ATOM 481 O5' DT B 116 -13.852 -11.762 -18.326 1.00 1.48 O ATOM 482 C5' DT B 116 -14.137 -10.585 -19.087 1.00 1.45 C ATOM 483 C4' DT B 116 -13.430 -10.604 -20.445 1.00 1.50 C ATOM 484 O4' DT B 116 -11.998 -10.646 -20.271 1.00 1.41 O ATOM 485 C3' DT B 116 -13.841 -11.810 -21.299 1.00 1.67 C ATOM 486 O3' DT B 116 -14.641 -11.397 -22.411 1.00 1.77 O ATOM 487 C2' DT B 116 -12.544 -12.435 -21.773 1.00 1.67 C ATOM 488 C1' DT B 116 -11.409 -11.622 -21.156 1.00 1.51 C ATOM 489 N1 DT B 116 -10.476 -12.507 -20.411 1.00 1.49 N ATOM 490 C2 DT B 116 -9.153 -12.593 -20.849 1.00 1.47 C ATOM 491 O2 DT B 116 -8.742 -11.967 -21.823 1.00 1.47 O ATOM 492 N3 DT B 116 -8.331 -13.433 -20.113 1.00 1.48 N ATOM 493 C4 DT B 116 -8.703 -14.182 -18.999 1.00 1.50 C ATOM 494 O4 DT B 116 -7.881 -14.895 -18.427 1.00 1.54 O ATOM 495 C5 DT B 116 -10.096 -14.033 -18.613 1.00 1.51 C ATOM 496 C7 DT B 116 -10.630 -14.822 -17.414 1.00 1.55 C ATOM 497 C6 DT B 116 -10.921 -13.212 -19.318 1.00 1.50 C ATOM 498 H5' DT B 116 -13.805 -9.711 -18.526 1.00 1.35 H ATOM 499 H5'' DT B 116 -15.213 -10.517 -19.247 1.00 1.52 H ATOM 500 H4' DT B 116 -13.689 -9.692 -20.984 1.00 1.51 H ATOM 501 H3' DT B 116 -14.404 -12.533 -20.698 1.00 1.72 H ATOM 502 HO3' DT B 116 -14.557 -10.443 -22.485 1.00 1.94 H ATOM 503 H2' DT B 116 -12.478 -13.474 -21.443 1.00 1.73 H ATOM 504 H2'' DT B 116 -12.494 -12.392 -22.863 1.00 1.75 H ATOM 505 H1' DT B 116 -10.871 -11.095 -21.943 1.00 1.51 H ATOM 506 H3 DT B 116 -7.372 -13.510 -20.414 1.00 1.49 H ATOM 507 H71 DT B 116 -10.201 -14.422 -16.496 1.00 1.85 H ATOM 508 H72 DT B 116 -10.346 -15.870 -17.517 1.00 1.82 H ATOM 509 H73 DT B 116 -11.718 -14.747 -17.369 1.00 1.87 H ATOM 510 H6 DT B 116 -11.960 -13.106 -19.016 1.00 1.52 H TER 511 DT B 116 ATOM 512 O5' DA C 117 0.899 -14.071 -23.070 1.00 1.96 O ATOM 513 C5' DA C 117 1.117 -14.097 -24.484 1.00 2.14 C ATOM 514 C4' DA C 117 0.285 -13.030 -25.201 1.00 1.94 C ATOM 515 O4' DA C 117 -1.119 -13.348 -25.099 1.00 1.88 O ATOM 516 C3' DA C 117 0.499 -11.633 -24.603 1.00 1.67 C ATOM 517 O3' DA C 117 0.825 -10.694 -25.632 1.00 1.66 O ATOM 518 C2' DA C 117 -0.814 -11.267 -23.942 1.00 1.44 C ATOM 519 C1' DA C 117 -1.798 -12.388 -24.263 1.00 1.59 C ATOM 520 N9 DA C 117 -2.279 -13.038 -23.035 1.00 1.56 N ATOM 521 C8 DA C 117 -1.592 -13.840 -22.181 1.00 1.59 C ATOM 522 N7 DA C 117 -2.285 -14.326 -21.192 1.00 1.58 N ATOM 523 C5 DA C 117 -3.552 -13.793 -21.411 1.00 1.54 C ATOM 524 C6 DA C 117 -4.783 -13.906 -20.726 1.00 1.54 C ATOM 525 N6 DA C 117 -4.933 -14.636 -19.620 1.00 1.58 N ATOM 526 N1 DA C 117 -5.859 -13.235 -21.227 1.00 1.53 N ATOM 527 C2 DA C 117 -5.737 -12.489 -22.339 1.00 1.53 C ATOM 528 N3 DA C 117 -4.618 -12.314 -23.057 1.00 1.53 N ATOM 529 C4 DA C 117 -3.558 -13.001 -22.535 1.00 1.53 C ATOM 530 H5' DA C 117 0.842 -15.080 -24.867 1.00 2.33 H ATOM 531 H5'' DA C 117 2.173 -13.920 -24.684 1.00 2.33 H ATOM 532 H4' DA C 117 0.567 -13.011 -26.253 1.00 2.13 H ATOM 533 H3' DA C 117 1.304 -11.647 -23.860 1.00 1.77 H ATOM 534 H2' DA C 117 -0.687 -11.184 -22.860 1.00 1.40 H ATOM 535 H2'' DA C 117 -1.175 -10.317 -24.344 1.00 1.34 H ATOM 536 H1' DA C 117 -2.647 -11.990 -24.803 1.00 1.63 H ATOM 537 H8 DA C 117 -0.540 -14.058 -22.325 1.00 1.64 H ATOM 538 H61 DA C 117 -5.834 -14.686 -19.166 1.00 1.59 H ATOM 539 H62 DA C 117 -4.145 -15.138 -19.236 1.00 1.61 H ATOM 540 H2 DA C 117 -6.633 -11.977 -22.690 1.00 1.57 H ATOM 541 HO5' DA C 117 1.738 -13.857 -22.655 1.00 2.24 H ATOM 542 P DA C 118 1.169 -9.163 -25.268 1.00 1.54 P ATOM 543 OP1 DA C 118 1.923 -8.578 -26.399 1.00 1.61 O ATOM 544 OP2 DA C 118 1.741 -9.129 -23.904 1.00 1.53 O ATOM 545 O5' DA C 118 -0.287 -8.474 -25.222 1.00 1.37 O ATOM 546 C5' DA C 118 -1.083 -8.375 -26.407 1.00 1.40 C ATOM 547 C4' DA C 118 -2.315 -7.488 -26.191 1.00 1.28 C ATOM 548 O4' DA C 118 -3.217 -8.107 -25.245 1.00 1.24 O ATOM 549 C3' DA C 118 -1.941 -6.098 -25.656 1.00 1.17 C ATOM 550 O3' DA C 118 -2.498 -5.074 -26.494 1.00 1.15 O ATOM 551 C2' DA C 118 -2.528 -6.033 -24.260 1.00 1.07 C ATOM 552 C1' DA C 118 -3.381 -7.278 -24.075 1.00 1.11 C ATOM 553 N9 DA C 118 -2.994 -8.013 -22.863 1.00 1.10 N ATOM 554 C8 DA C 118 -1.773 -8.494 -22.522 1.00 1.14 C ATOM 555 N7 DA C 118 -1.729 -9.172 -21.411 1.00 1.13 N ATOM 556 C5 DA C 118 -3.050 -9.131 -20.972 1.00 1.08 C ATOM 557 C6 DA C 118 -3.713 -9.659 -19.841 1.00 1.07 C ATOM 558 N6 DA C 118 -3.091 -10.386 -18.914 1.00 1.11 N ATOM 559 N1 DA C 118 -5.050 -9.422 -19.714 1.00 1.04 N ATOM 560 C2 DA C 118 -5.705 -8.707 -20.645 1.00 1.03 C ATOM 561 N3 DA C 118 -5.170 -8.168 -21.751 1.00 1.04 N ATOM 562 C4 DA C 118 -3.831 -8.421 -21.852 1.00 1.06 C ATOM 563 H5' DA C 118 -1.410 -9.373 -26.699 1.00 1.49 H ATOM 564 H5'' DA C 118 -0.476 -7.952 -27.208 1.00 1.45 H ATOM 565 H4' DA C 118 -2.832 -7.370 -27.143 1.00 1.33 H ATOM 566 H3' DA C 118 -0.854 -5.977 -25.612 1.00 1.21 H ATOM 567 H2' DA C 118 -1.732 -6.014 -23.512 1.00 1.06 H ATOM 568 H2'' DA C 118 -3.145 -5.146 -24.164 1.00 1.01 H ATOM 569 H1' DA C 118 -4.421 -6.990 -23.986 1.00 1.08 H ATOM 570 H8 DA C 118 -0.898 -8.307 -23.133 1.00 1.18 H ATOM 571 H61 DA C 118 -3.607 -10.742 -18.122 1.00 1.11 H ATOM 572 H62 DA C 118 -2.104 -10.580 -19.002 1.00 1.15 H ATOM 573 H2 DA C 118 -6.772 -8.545 -20.481 1.00 1.02 H ATOM 574 P DT C 119 -2.432 -3.516 -26.072 1.00 1.09 P ATOM 575 OP1 DT C 119 -2.715 -2.699 -27.273 1.00 1.16 O ATOM 576 OP2 DT C 119 -1.184 -3.297 -25.306 1.00 1.10 O ATOM 577 O5' DT C 119 -3.681 -3.374 -25.057 1.00 0.99 O ATOM 578 C5' DT C 119 -5.002 -3.730 -25.481 1.00 1.01 C ATOM 579 C4' DT C 119 -6.052 -3.513 -24.380 1.00 0.94 C ATOM 580 O4' DT C 119 -5.922 -4.507 -23.335 1.00 0.89 O ATOM 581 C3' DT C 119 -5.951 -2.125 -23.730 1.00 0.87 C ATOM 582 O3' DT C 119 -7.149 -1.372 -23.989 1.00 0.91 O ATOM 583 C2' DT C 119 -5.778 -2.389 -22.244 1.00 0.77 C ATOM 584 C1' DT C 119 -6.003 -3.880 -22.037 1.00 0.78 C ATOM 585 N1 DT C 119 -5.010 -4.472 -21.097 1.00 0.73 N ATOM 586 C2 DT C 119 -5.486 -5.088 -19.937 1.00 0.70 C ATOM 587 O2 DT C 119 -6.683 -5.129 -19.659 1.00 0.72 O ATOM 588 N3 DT C 119 -4.520 -5.653 -19.116 1.00 0.69 N ATOM 589 C4 DT C 119 -3.147 -5.659 -19.345 1.00 0.72 C ATOM 590 O4 DT C 119 -2.383 -6.195 -18.545 1.00 0.75 O ATOM 591 C5 DT C 119 -2.742 -4.997 -20.573 1.00 0.75 C ATOM 592 C7 DT C 119 -1.258 -4.946 -20.944 1.00 0.82 C ATOM 593 C6 DT C 119 -3.669 -4.436 -21.391 1.00 0.75 C ATOM 594 H5' DT C 119 -5.008 -4.780 -25.773 1.00 1.07 H ATOM 595 H5'' DT C 119 -5.269 -3.122 -26.346 1.00 1.07 H ATOM 596 H4' DT C 119 -7.042 -3.612 -24.826 1.00 0.99 H ATOM 597 H3' DT C 119 -5.086 -1.577 -24.117 1.00 0.90 H ATOM 598 H2' DT C 119 -4.774 -2.111 -21.920 1.00 0.75 H ATOM 599 H2'' DT C 119 -6.515 -1.827 -21.682 1.00 0.75 H ATOM 600 H1' DT C 119 -7.007 -4.022 -21.641 1.00 0.78 H ATOM 601 H3 DT C 119 -4.845 -6.104 -18.272 1.00 0.69 H ATOM 602 H71 DT C 119 -0.675 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-2.845 -17.627 1.00 0.47 C ATOM 621 C6 DG C 120 -4.071 -3.611 -16.842 1.00 0.43 C ATOM 622 O6 DG C 120 -2.844 -3.613 -16.906 1.00 0.44 O ATOM 623 N1 DG C 120 -4.723 -4.434 -15.910 1.00 0.42 N ATOM 624 C2 DG C 120 -6.102 -4.515 -15.747 1.00 0.44 C ATOM 625 N2 DG C 120 -6.545 -5.355 -14.811 1.00 0.45 N ATOM 626 N3 DG C 120 -6.973 -3.794 -16.486 1.00 0.47 N ATOM 627 C4 DG C 120 -6.354 -2.985 -17.401 1.00 0.49 C ATOM 628 H5' DG C 120 -9.046 -2.218 -22.286 1.00 0.85 H ATOM 629 H5'' DG C 120 -10.055 -0.761 -22.368 1.00 0.90 H ATOM 630 H4' DG C 120 -10.763 -1.936 -20.425 1.00 0.81 H ATOM 631 H3' DG C 120 -9.487 0.628 -20.128 1.00 0.81 H ATOM 632 H2' DG C 120 -7.927 0.147 -18.546 1.00 0.65 H ATOM 633 H2'' DG C 120 -9.274 -0.229 -17.455 1.00 0.58 H ATOM 634 H1' DG C 120 -8.937 -2.463 -17.631 1.00 0.58 H ATOM 635 H8 DG C 120 -6.143 -0.788 -19.723 1.00 0.63 H ATOM 636 H1 DG C 120 -4.126 -4.999 -15.322 1.00 0.41 H ATOM 637 H21 DG C 120 -5.888 -5.891 -14.262 1.00 0.45 H ATOM 638 H22 DG C 120 -7.537 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-9.320 1.00 0.55 H ATOM 693 H4' DT C 122 -9.267 -2.287 -8.560 1.00 0.41 H ATOM 694 H3' DT C 122 -9.376 0.629 -8.204 1.00 0.39 H ATOM 695 H2' DT C 122 -7.168 1.101 -8.377 1.00 0.35 H ATOM 696 H2'' DT C 122 -6.793 -0.193 -7.210 1.00 0.30 H ATOM 697 H1' DT C 122 -6.074 -1.554 -8.882 1.00 0.28 H ATOM 698 H3 DT C 122 -3.116 0.561 -11.573 1.00 0.35 H ATOM 699 H71 DT C 122 -7.963 2.954 -12.252 1.00 1.10 H ATOM 700 H72 DT C 122 -7.066 2.537 -13.733 1.00 1.14 H ATOM 701 H73 DT C 122 -6.448 3.801 -12.645 1.00 1.09 H ATOM 702 H6 DT C 122 -7.846 1.110 -10.827 1.00 0.34 H ATOM 703 P DT C 123 -8.801 0.176 -5.409 1.00 0.34 P ATOM 704 OP1 DT C 123 -9.527 -0.400 -4.255 1.00 0.40 O ATOM 705 OP2 DT C 123 -9.025 1.585 -5.795 1.00 0.38 O ATOM 706 O5' DT C 123 -7.224 -0.021 -5.164 1.00 0.28 O ATOM 707 C5' DT C 123 -6.713 -1.259 -4.669 1.00 0.28 C ATOM 708 C4' DT C 123 -5.228 -1.145 -4.323 1.00 0.27 C ATOM 709 O4' DT C 123 -4.475 -0.739 -5.492 1.00 0.25 O ATOM 710 C3' DT C 123 -4.970 -0.114 -3.212 1.00 0.26 C ATOM 711 O3' DT C 123 -4.166 -0.712 -2.176 1.00 0.30 O ATOM 712 C2' DT C 123 -4.247 1.024 -3.906 1.00 0.24 C ATOM 713 C1' DT C 123 -3.694 0.436 -5.196 1.00 0.24 C ATOM 714 N1 DT C 123 -3.731 1.413 -6.329 1.00 0.22 N ATOM 715 C2 DT C 123 -2.523 1.702 -6.973 1.00 0.24 C ATOM 716 O2 DT C 123 -1.462 1.179 -6.640 1.00 0.27 O ATOM 717 N3 DT C 123 -2.595 2.614 -8.017 1.00 0.25 N ATOM 718 C4 DT C 123 -3.743 3.258 -8.468 1.00 0.24 C ATOM 719 O4 DT C 123 -3.683 4.051 -9.405 1.00 0.27 O ATOM 720 C5 DT C 123 -4.955 2.906 -7.748 1.00 0.22 C ATOM 721 C7 DT C 123 -6.274 3.578 -8.140 1.00 0.23 C ATOM 722 C6 DT C 123 -4.917 2.010 -6.723 1.00 0.22 C ATOM 723 H5' DT C 123 -6.844 -2.028 -5.431 1.00 0.29 H ATOM 724 H5'' DT C 123 -7.268 -1.544 -3.775 1.00 0.32 H ATOM 725 H4' DT C 123 -4.868 -2.119 -3.992 1.00 0.31 H ATOM 726 H3' DT C 123 -5.911 0.245 -2.783 1.00 0.26 H ATOM 727 H2' DT C 123 -4.942 1.833 -4.121 1.00 0.24 H ATOM 728 H2'' DT C 123 -3.442 1.399 -3.294 1.00 0.27 H ATOM 729 H1' DT C 123 -2.662 0.124 -5.011 1.00 0.26 H ATOM 730 H3 DT C 123 -1.732 2.830 -8.495 1.00 0.28 H ATOM 731 H71 DT C 123 -6.141 4.659 -8.131 1.00 1.03 H ATOM 732 H72 DT C 123 -7.061 3.305 -7.436 1.00 0.99 H ATOM 733 H73 DT C 123 -6.558 3.258 -9.142 1.00 1.07 H ATOM 734 H6 DT C 123 -5.845 1.746 -6.212 1.00 0.22 H ATOM 735 P DA C 124 -3.415 0.169 -1.050 1.00 0.33 P ATOM 736 OP1 DA C 124 -3.449 -0.583 0.225 1.00 0.41 O ATOM 737 OP2 DA C 124 -3.945 1.549 -1.108 1.00 0.34 O ATOM 738 O5' DA C 124 -1.892 0.185 -1.588 1.00 0.29 O ATOM 739 C5' DA C 124 -1.122 -1.020 -1.577 1.00 0.33 C ATOM 740 C4' DA C 124 0.372 -0.771 -1.835 1.00 0.30 C ATOM 741 O4' DA C 124 0.546 -0.034 -3.066 1.00 0.28 O ATOM 742 C3' DA C 124 1.025 0.038 -0.707 1.00 0.28 C ATOM 743 O3' DA C 124 2.284 -0.531 -0.330 1.00 0.31 O ATOM 744 C2' DA C 124 1.220 1.421 -1.285 1.00 0.24 C ATOM 745 C1' DA C 124 1.039 1.294 -2.794 1.00 0.24 C ATOM 746 N9 DA C 124 0.104 2.304 -3.305 1.00 0.22 N ATOM 747 C8 DA C 124 -1.155 2.570 -2.885 1.00 0.23 C ATOM 748 N7 DA C 124 -1.782 3.500 -3.544 1.00 0.24 N ATOM 749 C5 DA C 124 -0.844 3.887 -4.495 1.00 0.22 C ATOM 750 C6 DA C 124 -0.857 4.844 -5.533 1.00 0.24 C ATOM 751 N6 DA C 124 -1.913 5.620 -5.779 1.00 0.28 N ATOM 752 N1 DA C 124 0.263 4.973 -6.302 1.00 0.23 N ATOM 753 C2 DA C 124 1.340 4.202 -6.064 1.00 0.22 C ATOM 754 N3 DA C 124 1.451 3.268 -5.108 1.00 0.21 N ATOM 755 C4 DA C 124 0.316 3.163 -4.357 1.00 0.21 C ATOM 756 H5' DA C 124 -1.507 -1.693 -2.343 1.00 0.34 H ATOM 757 H5'' DA C 124 -1.239 -1.486 -0.608 1.00 0.40 H ATOM 758 H4' DA C 124 0.881 -1.731 -1.922 1.00 0.34 H ATOM 759 H3' DA C 124 0.373 0.076 0.171 1.00 0.30 H ATOM 760 H2' DA C 124 0.475 2.100 -0.880 1.00 0.25 H ATOM 761 H2'' DA C 124 2.219 1.787 -1.053 1.00 0.24 H ATOM 762 H1' DA C 124 1.994 1.424 -3.285 1.00 0.24 H ATOM 763 H8 DA C 124 -1.603 2.031 -2.060 1.00 0.25 H ATOM 764 H61 DA C 124 -1.880 6.292 -6.532 1.00 0.30 H ATOM 765 H62 DA C 124 -2.745 5.535 -5.214 1.00 0.30 H ATOM 766 H2 DA C 124 2.206 4.350 -6.710 1.00 0.23 H ATOM 767 P DT C 125 3.207 0.181 0.788 1.00 0.32 P ATOM 768 OP1 DT C 125 4.166 -0.821 1.304 1.00 0.38 O ATOM 769 OP2 DT C 125 2.321 0.906 1.727 1.00 0.32 O ATOM 770 O5' DT C 125 4.028 1.270 -0.075 1.00 0.29 O ATOM 771 C5' DT C 125 4.993 0.839 -1.038 1.00 0.32 C ATOM 772 C4' DT C 125 5.614 2.008 -1.814 1.00 0.31 C ATOM 773 O4' DT C 125 4.642 2.635 -2.682 1.00 0.30 O ATOM 774 C3' DT C 125 6.193 3.098 -0.894 1.00 0.29 C ATOM 775 O3' DT C 125 7.618 3.204 -1.093 1.00 0.31 O ATOM 776 C2' DT C 125 5.483 4.372 -1.311 1.00 0.28 C ATOM 777 C1' DT C 125 4.831 4.061 -2.648 1.00 0.29 C ATOM 778 N1 DT C 125 3.544 4.790 -2.864 1.00 0.32 N ATOM 779 C2 DT C 125 3.421 5.562 -4.027 1.00 0.41 C ATOM 780 O2 DT C 125 4.345 5.697 -4.825 1.00 0.44 O ATOM 781 N3 DT C 125 2.187 6.167 -4.222 1.00 0.51 N ATOM 782 C4 DT C 125 1.083 6.071 -3.378 1.00 0.51 C ATOM 783 O4 DT C 125 0.011 6.585 -3.684 1.00 0.67 O ATOM 784 C5 DT C 125 1.301 5.270 -2.195 1.00 0.40 C ATOM 785 C7 DT C 125 0.171 5.141 -1.179 1.00 0.41 C ATOM 786 C6 DT C 125 2.497 4.663 -1.976 1.00 0.31 C ATOM 787 H5' DT C 125 4.509 0.166 -1.745 1.00 0.35 H ATOM 788 H5'' DT C 125 5.787 0.298 -0.523 1.00 0.36 H ATOM 789 H4' DT C 125 6.419 1.619 -2.432 1.00 0.35 H ATOM 790 H3' DT C 125 5.983 2.875 0.157 1.00 0.31 H ATOM 791 H2' DT C 125 4.735 4.652 -0.572 1.00 0.29 H ATOM 792 H2'' DT C 125 6.193 5.167 -1.426 1.00 0.30 H ATOM 793 H1' DT C 125 5.538 4.330 -3.434 1.00 0.31 H ATOM 794 H3 DT C 125 2.084 6.740 -5.051 1.00 0.59 H ATOM 795 H71 DT C 125 -0.760 4.915 -1.699 1.00 1.09 H ATOM 796 H72 DT C 125 0.064 6.080 -0.636 1.00 1.14 H ATOM 797 H73 DT C 125 0.394 4.344 -0.479 1.00 1.07 H ATOM 798 H6 DT C 125 2.630 4.060 -1.084 1.00 0.28 H ATOM 799 P DC C 126 8.484 4.435 -0.497 1.00 0.33 P ATOM 800 OP1 DC C 126 9.893 3.998 -0.383 1.00 0.38 O ATOM 801 OP2 DC C 126 7.778 4.964 0.692 1.00 0.35 O ATOM 802 O5' DC C 126 8.394 5.544 -1.673 1.00 0.30 O ATOM 803 C5' DC C 126 9.173 5.407 -2.871 1.00 0.32 C ATOM 804 C4' DC C 126 9.162 6.685 -3.729 1.00 0.33 C ATOM 805 O4' DC C 126 7.827 6.946 -4.233 1.00 0.31 O ATOM 806 C3' DC C 126 9.619 7.926 -2.944 1.00 0.34 C ATOM 807 O3' DC C 126 10.876 8.415 -3.416 1.00 0.42 O ATOM 808 C2' DC C 126 8.540 8.967 -3.151 1.00 0.30 C ATOM 809 C1' DC C 126 7.423 8.308 -3.950 1.00 0.28 C ATOM 810 N1 DC C 126 6.177 8.332 -3.152 1.00 0.25 N ATOM 811 C2 DC C 126 5.064 9.027 -3.644 1.00 0.26 C ATOM 812 O2 DC C 126 5.110 9.596 -4.735 1.00 0.28 O ATOM 813 N3 DC C 126 3.944 9.057 -2.862 1.00 0.26 N ATOM 814 C4 DC C 126 3.911 8.440 -1.660 1.00 0.27 C ATOM 815 N4 DC C 126 2.805 8.495 -0.936 1.00 0.32 N ATOM 816 C5 DC C 126 5.049 7.731 -1.156 1.00 0.26 C ATOM 817 C6 DC C 126 6.150 7.707 -1.934 1.00 0.25 C ATOM 818 H5' DC C 126 8.769 4.584 -3.460 1.00 0.32 H ATOM 819 H5'' DC C 126 10.202 5.174 -2.598 1.00 0.36 H ATOM 820 H4' DC C 126 9.839 6.537 -4.578 1.00 0.38 H ATOM 821 H3' DC C 126 9.705 7.692 -1.878 1.00 0.35 H ATOM 822 H2' DC C 126 8.165 9.317 -2.192 1.00 0.30 H ATOM 823 H2'' DC C 126 8.935 9.807 -3.697 1.00 0.32 H ATOM 824 H1' DC C 126 7.277 8.840 -4.897 1.00 0.30 H ATOM 825 H41 DC C 126 2.005 9.008 -1.284 1.00 0.34 H ATOM 826 H42 DC C 126 2.764 8.039 -0.035 1.00 0.36 H ATOM 827 H5 DC C 126 5.031 7.240 -0.183 1.00 0.29 H ATOM 828 H6 DC C 126 7.045 7.196 -1.583 1.00 0.26 H ATOM 829 P DT C 127 11.648 9.570 -2.597 1.00 0.48 P ATOM 830 OP1 DT C 127 13.055 9.596 -3.046 1.00 0.57 O ATOM 831 OP2 DT C 127 11.340 9.398 -1.159 1.00 0.48 O ATOM 832 O5' DT C 127 10.931 10.923 -3.110 1.00 0.48 O ATOM 833 C5' DT C 127 10.936 11.261 -4.500 1.00 0.53 C ATOM 834 C4' DT C 127 10.111 12.507 -4.802 1.00 0.56 C ATOM 835 O4' DT C 127 8.710 12.240 -4.592 1.00 0.49 O ATOM 836 C3' DT C 127 10.511 13.702 -3.936 1.00 0.60 C ATOM 837 O3' DT C 127 11.095 14.724 -4.749 1.00 0.71 O ATOM 838 C2' DT C 127 9.224 14.185 -3.298 1.00 0.55 C ATOM 839 C1' DT C 127 8.101 13.308 -3.845 1.00 0.50 C ATOM 840 N1 DT C 127 7.259 12.758 -2.745 1.00 0.43 N ATOM 841 C2 DT C 127 5.911 13.116 -2.721 1.00 0.45 C ATOM 842 O2 DT C 127 5.418 13.868 -3.558 1.00 0.50 O ATOM 843 N3 DT C 127 5.161 12.568 -1.693 1.00 0.43 N ATOM 844 C4 DT C 127 5.623 11.711 -0.700 1.00 0.40 C ATOM 845 O4 DT C 127 4.858 11.290 0.164 1.00 0.43 O ATOM 846 C5 DT C 127 7.034 11.388 -0.794 1.00 0.38 C ATOM 847 C7 DT C 127 7.652 10.455 0.249 1.00 0.39 C ATOM 848 C6 DT C 127 7.798 11.909 -1.793 1.00 0.39 C ATOM 849 H5' DT C 127 10.515 10.436 -5.060 1.00 0.51 H ATOM 850 H5'' DT C 127 11.957 11.427 -4.822 1.00 0.60 H ATOM 851 H4' DT C 127 10.259 12.774 -5.849 1.00 0.63 H ATOM 852 H3' DT C 127 11.224 13.401 -3.162 1.00 0.61 H ATOM 853 H2' DT C 127 9.275 14.084 -2.212 1.00 0.53 H ATOM 854 H2'' DT C 127 9.054 15.229 -3.564 1.00 0.60 H ATOM 855 H1' DT C 127 7.483 13.900 -4.531 1.00 0.54 H ATOM 856 H3 DT C 127 4.184 12.810 -1.665 1.00 0.46 H ATOM 857 H71 DT C 127 8.733 10.596 0.279 1.00 1.11 H ATOM 858 H72 DT C 127 7.427 9.420 -0.009 1.00 1.11 H ATOM 859 H73 DT C 127 7.230 10.679 1.228 1.00 1.07 H ATOM 860 H6 DT C 127 8.855 11.646 -1.848 1.00 0.40 H ATOM 861 P DG C 128 11.712 16.055 -4.089 1.00 0.81 P ATOM 862 OP1 DG C 128 12.699 16.624 -5.034 1.00 0.91 O ATOM 863 OP2 DG C 128 12.115 15.741 -2.701 1.00 0.79 O ATOM 864 O5' DG C 128 10.440 17.039 -4.037 1.00 0.84 O ATOM 865 C5' DG C 128 9.712 17.346 -5.229 1.00 0.89 C ATOM 866 C4' DG C 128 8.490 18.218 -4.929 1.00 0.92 C ATOM 867 O4' DG C 128 7.494 17.455 -4.212 1.00 0.78 O ATOM 868 C3' DG C 128 8.852 19.448 -4.086 1.00 1.05 C ATOM 869 O3' DG C 128 8.543 20.652 -4.790 1.00 1.20 O ATOM 870 C2' DG C 128 8.024 19.339 -2.824 1.00 0.98 C ATOM 871 C1' DG C 128 7.134 18.112 -2.979 1.00 0.81 C ATOM 872 N9 DG C 128 7.299 17.202 -1.836 1.00 0.71 N ATOM 873 C8 DG C 128 8.434 16.605 -1.392 1.00 0.73 C ATOM 874 N7 DG C 128 8.291 15.827 -0.358 1.00 0.70 N ATOM 875 C5 DG C 128 6.929 15.918 -0.085 1.00 0.64 C ATOM 876 C6 DG C 128 6.143 15.293 0.939 1.00 0.64 C ATOM 877 O6 DG C 128 6.520 14.519 1.816 1.00 0.71 O ATOM 878 N1 DG C 128 4.788 15.659 0.864 1.00 0.59 N ATOM 879 C2 DG C 128 4.247 16.522 -0.082 1.00 0.56 C ATOM 880 N2 DG C 128 2.939 16.764 0.006 1.00 0.54 N ATOM 881 N3 DG C 128 4.986 17.108 -1.047 1.00 0.61 N ATOM 882 C4 DG C 128 6.309 16.763 -0.989 1.00 0.64 C ATOM 883 H5' DG C 128 9.381 16.418 -5.695 1.00 0.83 H ATOM 884 H5'' DG C 128 10.367 17.878 -5.920 1.00 0.97 H ATOM 885 H4' DG C 128 8.060 18.555 -5.873 1.00 1.00 H ATOM 886 H3' DG C 128 9.917 19.445 -3.832 1.00 1.09 H ATOM 887 H2' DG C 128 8.672 19.215 -1.954 1.00 0.99 H ATOM 888 H2'' DG C 128 7.416 20.238 -2.704 1.00 1.06 H ATOM 889 H1' DG C 128 6.097 18.418 -3.034 1.00 0.81 H ATOM 890 H8 DG C 128 9.393 16.784 -1.864 1.00 0.79 H ATOM 891 H1 DG C 128 4.178 15.252 1.558 1.00 0.61 H ATOM 892 H21 DG C 128 2.392 16.322 0.731 1.00 0.54 H ATOM 893 H22 DG C 128 2.495 17.388 -0.652 1.00 0.57 H ATOM 894 P DC C 129 8.969 22.082 -4.186 1.00 1.38 P ATOM 895 OP1 DC C 129 8.955 23.073 -5.285 1.00 1.53 O ATOM 896 OP2 DC C 129 10.195 21.895 -3.377 1.00 1.39 O ATOM 897 O5' DC C 129 7.752 22.417 -3.187 1.00 1.38 O ATOM 898 C5' DC C 129 6.421 22.564 -3.688 1.00 1.37 C ATOM 899 C4' DC C 129 5.466 23.081 -2.607 1.00 1.38 C ATOM 900 O4' DC C 129 5.241 22.061 -1.605 1.00 1.23 O ATOM 901 C3' DC C 129 6.013 24.329 -1.904 1.00 1.53 C ATOM 902 O3' DC C 129 5.075 25.411 -2.005 1.00 1.63 O ATOM 903 C2' DC C 129 6.211 23.925 -0.459 1.00 1.48 C ATOM 904 C1' DC C 129 5.599 22.543 -0.292 1.00 1.29 C ATOM 905 N1 DC C 129 6.542 21.596 0.373 1.00 1.22 N ATOM 906 C2 DC C 129 6.122 20.980 1.559 1.00 1.17 C ATOM 907 O2 DC C 129 5.024 21.250 2.041 1.00 1.17 O ATOM 908 N3 DC C 129 6.966 20.081 2.149 1.00 1.15 N ATOM 909 C4 DC C 129 8.169 19.791 1.614 1.00 1.17 C ATOM 910 N4 DC C 129 8.952 18.897 2.221 1.00 1.18 N ATOM 911 C5 DC C 129 8.613 20.421 0.400 1.00 1.20 C ATOM 912 C6 DC C 129 7.772 21.312 -0.183 1.00 1.23 C ATOM 913 H5' DC C 129 6.065 21.598 -4.046 1.00 1.26 H ATOM 914 H5'' DC C 129 6.430 23.269 -4.520 1.00 1.49 H ATOM 915 H4' DC C 129 4.513 23.330 -3.073 1.00 1.40 H ATOM 916 H3' DC C 129 6.968 24.637 -2.342 1.00 1.62 H ATOM 917 H2' DC C 129 7.274 23.898 -0.209 1.00 1.52 H ATOM 918 H2'' DC C 129 5.699 24.631 0.184 1.00 1.54 H ATOM 919 H1' DC C 129 4.688 22.640 0.310 1.00 1.27 H ATOM 920 H41 DC C 129 8.644 18.452 3.074 1.00 1.18 H ATOM 921 H42 DC C 129 9.853 18.665 1.828 1.00 1.20 H ATOM 922 H5 DC C 129 9.588 20.194 -0.033 1.00 1.22 H ATOM 923 H6 DC C 129 8.073 21.810 -1.105 1.00 1.28 H ATOM 924 P DA C 130 5.324 26.811 -1.240 1.00 1.81 P ATOM 925 OP1 DA C 130 4.464 27.840 -1.867 1.00 1.93 O ATOM 926 OP2 DA C 130 6.784 27.030 -1.141 1.00 1.87 O ATOM 927 O5' DA C 130 4.756 26.512 0.243 1.00 1.78 O ATOM 928 C5' DA C 130 3.363 26.246 0.449 1.00 1.72 C ATOM 929 C4' DA C 130 2.995 26.202 1.941 1.00 1.72 C ATOM 930 O4' DA C 130 3.523 25.006 2.561 1.00 1.60 O ATOM 931 C3' DA C 130 3.529 27.418 2.713 1.00 1.90 C ATOM 932 O3' DA C 130 2.444 28.151 3.303 1.00 1.99 O ATOM 933 C2' DA C 130 4.441 26.852 3.783 1.00 1.90 C ATOM 934 C1' DA C 130 4.317 25.338 3.721 1.00 1.71 C ATOM 935 N9 DA C 130 5.637 24.695 3.649 1.00 1.68 N ATOM 936 C8 DA C 130 6.623 24.892 2.742 1.00 1.71 C ATOM 937 N7 DA C 130 7.683 24.152 2.894 1.00 1.69 N ATOM 938 C5 DA C 130 7.367 23.392 4.016 1.00 1.64 C ATOM 939 C6 DA C 130 8.058 22.391 4.733 1.00 1.62 C ATOM 940 N6 DA C 130 9.276 21.970 4.392 1.00 1.65 N ATOM 941 N1 DA C 130 7.443 21.839 5.817 1.00 1.60 N ATOM 942 C2 DA C 130 6.214 22.246 6.180 1.00 1.59 C ATOM 943 N3 DA C 130 5.476 23.184 5.567 1.00 1.60 N ATOM 944 C4 DA C 130 6.118 23.718 4.487 1.00 1.63 C ATOM 945 H5' DA C 130 3.116 25.286 -0.004 1.00 1.60 H ATOM 946 H5'' DA C 130 2.778 27.027 -0.037 1.00 1.81 H ATOM 947 H4' DA C 130 1.909 26.187 2.028 1.00 1.70 H ATOM 948 H3' DA C 130 4.094 28.081 2.050 1.00 1.98 H ATOM 949 H2' DA C 130 5.476 27.147 3.599 1.00 1.95 H ATOM 950 H2'' DA C 130 4.122 27.208 4.760 1.00 2.01 H ATOM 951 H1' DA C 130 3.812 24.987 4.611 1.00 1.70 H ATOM 952 H8 DA C 130 6.528 25.622 1.954 1.00 1.77 H ATOM 953 H61 DA C 130 9.732 21.251 4.935 1.00 1.66 H ATOM 954 H62 DA C 130 9.742 22.370 3.590 1.00 1.68 H ATOM 955 H2 DA C 130 5.774 21.769 7.056 1.00 1.58 H ATOM 956 P DA C 131 2.714 29.375 4.322 1.00 2.19 P ATOM 957 OP1 DA C 131 1.435 30.088 4.539 1.00 2.27 O ATOM 958 OP2 DA C 131 3.902 30.119 3.847 1.00 2.29 O ATOM 959 O5' DA C 131 3.108 28.616 5.693 1.00 2.19 O ATOM 960 C5' DA C 131 2.127 27.863 6.416 1.00 2.11 C ATOM 961 C4' DA C 131 2.633 27.429 7.801 1.00 2.16 C ATOM 962 O4' DA C 131 3.569 26.331 7.684 1.00 2.06 O ATOM 963 C3' DA C 131 3.326 28.571 8.557 1.00 2.36 C ATOM 964 O3' DA C 131 2.575 28.927 9.729 1.00 2.45 O ATOM 965 C2' DA C 131 4.692 28.036 8.935 1.00 2.40 C ATOM 966 C1' DA C 131 4.757 26.593 8.463 1.00 2.20 C ATOM 967 N9 DA C 131 5.971 26.345 7.670 1.00 2.20 N ATOM 968 C8 DA C 131 6.385 26.970 6.540 1.00 2.22 C ATOM 969 N7 DA C 131 7.497 26.528 6.029 1.00 2.21 N ATOM 970 C5 DA C 131 7.857 25.511 6.907 1.00 2.19 C ATOM 971 C6 DA C 131 8.948 24.616 6.957 1.00 2.19 C ATOM 972 N6 DA C 131 9.923 24.616 6.048 1.00 2.20 N ATOM 973 N1 DA C 131 8.997 23.720 7.983 1.00 2.19 N ATOM 974 C2 DA C 131 8.027 23.701 8.914 1.00 2.18 C ATOM 975 N3 DA C 131 6.953 24.505 8.956 1.00 2.18 N ATOM 976 C4 DA C 131 6.932 25.391 7.916 1.00 2.18 C ATOM 977 H5' DA C 131 1.867 26.975 5.841 1.00 1.98 H ATOM 978 H5'' DA C 131 1.235 28.477 6.543 1.00 2.18 H ATOM 979 H4' DA C 131 1.779 27.093 8.390 1.00 2.13 H ATOM 980 H3' DA C 131 3.434 29.451 7.915 1.00 2.44 H ATOM 981 H2' DA C 131 5.481 28.620 8.455 1.00 2.47 H ATOM 982 H2'' DA C 131 4.809 28.072 10.012 1.00 2.49 H ATOM 983 H1' DA C 131 4.771 25.938 9.325 1.00 2.20 H ATOM 984 H8 DA C 131 5.824 27.783 6.105 1.00 2.25 H ATOM 985 H61 DA C 131 10.685 23.957 6.124 1.00 2.21 H ATOM 986 H62 DA C 131 9.900 25.276 5.284 1.00 2.22 H ATOM 987 H2 DA C 131 8.122 22.963 9.710 1.00 2.20 H ATOM 988 P DC C 132 3.172 29.950 10.828 1.00 2.67 P ATOM 989 OP1 DC C 132 2.081 30.319 11.758 1.00 2.74 O ATOM 990 OP2 DC C 132 3.923 31.008 10.116 1.00 2.77 O ATOM 991 O5' DC C 132 4.231 29.031 11.630 1.00 2.71 O ATOM 992 C5' DC C 132 3.779 27.934 12.432 1.00 2.62 C ATOM 993 C4' DC C 132 4.930 27.240 13.176 1.00 2.68 C ATOM 994 O4' DC C 132 5.827 26.585 12.249 1.00 2.58 O ATOM 995 C3' DC C 132 5.759 28.218 14.016 1.00 2.90 C ATOM 996 O3' DC C 132 5.528 28.007 15.412 1.00 3.00 O ATOM 997 C2' DC C 132 7.206 27.926 13.668 1.00 2.94 C ATOM 998 C1' DC C 132 7.200 26.809 12.639 1.00 2.73 C ATOM 999 N1 DC C 132 8.035 27.169 11.462 1.00 2.72 N ATOM 1000 C2 DC C 132 9.202 26.436 11.216 1.00 2.71 C ATOM 1001 O2 DC C 132 9.523 25.512 11.962 1.00 2.72 O ATOM 1002 N3 DC C 132 9.957 26.785 10.129 1.00 2.71 N ATOM 1003 C4 DC C 132 9.590 27.800 9.317 1.00 2.72 C ATOM 1004 N4 DC C 132 10.352 28.104 8.266 1.00 2.73 N ATOM 1005 C5 DC C 132 8.393 28.554 9.568 1.00 2.73 C ATOM 1006 C6 DC C 132 7.656 28.201 10.649 1.00 2.73 C ATOM 1007 H5' DC C 132 3.285 27.206 11.789 1.00 2.47 H ATOM 1008 H5'' DC C 132 3.060 28.304 13.163 1.00 2.68 H ATOM 1009 H4' DC C 132 4.508 26.486 13.840 1.00 2.65 H ATOM 1010 H3' DC C 132 5.513 29.254 13.760 1.00 2.97 H ATOM 1011 HO3' DC C 132 5.696 28.839 15.859 1.00 3.33 H ATOM 1012 H2' DC C 132 7.682 28.801 13.241 1.00 3.02 H ATOM 1013 H2'' DC C 132 7.746 27.617 14.566 1.00 3.04 H ATOM 1014 H1' DC C 132 7.584 25.908 13.097 1.00 2.72 H ATOM 1015 H41 DC C 132 11.194 27.578 8.084 1.00 2.72 H ATOM 1016 H42 DC C 132 10.086 28.861 7.652 1.00 2.75 H ATOM 1017 H5 DC C 132 8.092 29.375 8.918 1.00 2.75 H ATOM 1018 H6 DC C 132 6.754 28.749 10.885 1.00 2.75 H TER 1019 DC C 132 ATOM 1020 N LYS A 1 -4.724 13.925 12.277 1.00 2.56 N ATOM 1021 CA LYS A 1 -5.904 13.428 13.043 1.00 1.90 C ATOM 1022 C LYS A 1 -6.261 12.012 12.597 1.00 1.49 C ATOM 1023 O LYS A 1 -7.309 11.791 12.037 1.00 1.51 O ATOM 1024 CB LYS A 1 -7.121 14.321 12.790 1.00 2.18 C ATOM 1025 CG LYS A 1 -6.945 15.691 13.440 1.00 2.78 C ATOM 1026 CD LYS A 1 -8.197 16.528 13.143 1.00 3.41 C ATOM 1027 CE LYS A 1 -8.197 17.796 14.001 1.00 4.15 C ATOM 1028 NZ LYS A 1 -6.864 18.456 13.927 1.00 4.81 N ATOM 1029 H1 LYS A 1 -4.912 13.844 11.256 1.00 2.99 H ATOM 1030 H2 LYS A 1 -4.549 14.921 12.519 1.00 2.95 H ATOM 1031 H3 LYS A 1 -3.889 13.356 12.518 1.00 2.86 H ATOM 1032 HA LYS A 1 -5.678 13.396 14.098 1.00 2.16 H ATOM 1033 HB2 LYS A 1 -7.250 14.448 11.726 1.00 2.52 H ATOM 1034 HB3 LYS A 1 -8.003 13.848 13.199 1.00 2.43 H ATOM 1035 HG2 LYS A 1 -6.824 15.574 14.509 1.00 3.01 H ATOM 1036 HG3 LYS A 1 -6.075 16.179 13.025 1.00 3.14 H ATOM 1037 HD2 LYS A 1 -8.209 16.801 12.095 1.00 3.68 H ATOM 1038 HD3 LYS A 1 -9.077 15.945 13.369 1.00 3.61 H ATOM 1039 HE2 LYS A 1 -8.951 18.477 13.631 1.00 4.52 H ATOM 1040 HE3 LYS A 1 -8.419 17.537 15.025 1.00 4.33 H ATOM 1041 HZ1 LYS A 1 -6.261 17.943 13.256 1.00 5.07 H ATOM 1042 HZ2 LYS A 1 -6.988 19.435 13.602 1.00 5.05 H ATOM 1043 HZ3 LYS A 1 -6.415 18.456 14.867 1.00 5.18 H ATOM 1044 N ARG A 2 -5.429 11.041 12.876 1.00 1.33 N ATOM 1045 CA ARG A 2 -5.780 9.634 12.501 1.00 1.13 C ATOM 1046 C ARG A 2 -6.535 9.015 13.681 1.00 0.94 C ATOM 1047 O ARG A 2 -7.109 7.947 13.581 1.00 1.02 O ATOM 1048 CB ARG A 2 -4.497 8.821 12.200 1.00 1.41 C ATOM 1049 CG ARG A 2 -4.165 8.850 10.694 1.00 1.66 C ATOM 1050 CD ARG A 2 -3.361 10.110 10.329 1.00 2.42 C ATOM 1051 NE ARG A 2 -1.910 9.782 10.313 1.00 3.28 N ATOM 1052 CZ ARG A 2 -1.082 10.525 9.634 1.00 4.09 C ATOM 1053 NH1 ARG A 2 -1.536 11.504 8.898 1.00 4.34 N ATOM 1054 NH2 ARG A 2 0.197 10.276 9.673 1.00 5.00 N ATOM 1055 H ARG A 2 -4.599 11.235 13.363 1.00 1.52 H ATOM 1056 HA ARG A 2 -6.433 9.639 11.641 1.00 1.15 H ATOM 1057 HB2 ARG A 2 -3.672 9.244 12.751 1.00 1.83 H ATOM 1058 HB3 ARG A 2 -4.636 7.792 12.507 1.00 1.72 H ATOM 1059 HG2 ARG A 2 -3.575 7.978 10.449 1.00 2.23 H ATOM 1060 HG3 ARG A 2 -5.076 8.824 10.118 1.00 1.75 H ATOM 1061 HD2 ARG A 2 -3.670 10.461 9.350 1.00 2.77 H ATOM 1062 HD3 ARG A 2 -3.528 10.886 11.059 1.00 2.78 H ATOM 1063 HE ARG A 2 -1.573 9.023 10.834 1.00 3.54 H ATOM 1064 HH11 ARG A 2 -2.516 11.687 8.855 1.00 3.98 H ATOM 1065 HH12 ARG A 2 -0.900 12.069 8.372 1.00 5.13 H ATOM 1066 HH21 ARG A 2 0.542 9.515 10.224 1.00 5.20 H ATOM 1067 HH22 ARG A 2 0.834 10.844 9.153 1.00 5.67 H ATOM 1068 N ALA A 3 -6.533 9.687 14.796 1.00 0.92 N ATOM 1069 CA ALA A 3 -7.244 9.156 15.988 1.00 0.97 C ATOM 1070 C ALA A 3 -8.748 9.106 15.699 1.00 0.86 C ATOM 1071 O ALA A 3 -9.425 10.114 15.693 1.00 0.94 O ATOM 1072 CB ALA A 3 -6.967 10.066 17.194 1.00 1.21 C ATOM 1073 H ALA A 3 -6.057 10.542 14.840 1.00 1.04 H ATOM 1074 HA ALA A 3 -6.886 8.158 16.199 1.00 1.07 H ATOM 1075 HB1 ALA A 3 -6.892 11.090 16.861 1.00 1.66 H ATOM 1076 HB2 ALA A 3 -7.771 9.979 17.912 1.00 1.53 H ATOM 1077 HB3 ALA A 3 -6.038 9.772 17.661 1.00 1.68 H ATOM 1078 N GLY A 4 -9.275 7.928 15.489 1.00 0.84 N ATOM 1079 CA GLY A 4 -10.741 7.790 15.232 1.00 0.81 C ATOM 1080 C GLY A 4 -11.061 7.922 13.737 1.00 0.65 C ATOM 1081 O GLY A 4 -12.175 7.671 13.321 1.00 0.68 O ATOM 1082 H GLY A 4 -8.705 7.132 15.532 1.00 0.95 H ATOM 1083 HA2 GLY A 4 -11.069 6.821 15.579 1.00 0.94 H ATOM 1084 HA3 GLY A 4 -11.275 8.558 15.774 1.00 0.86 H ATOM 1085 N THR A 5 -10.121 8.318 12.920 1.00 0.52 N ATOM 1086 CA THR A 5 -10.440 8.461 11.468 1.00 0.43 C ATOM 1087 C THR A 5 -10.743 7.097 10.866 1.00 0.41 C ATOM 1088 O THR A 5 -9.891 6.235 10.784 1.00 0.48 O ATOM 1089 CB THR A 5 -9.263 9.075 10.721 1.00 0.42 C ATOM 1090 OG1 THR A 5 -8.847 10.245 11.398 1.00 0.49 O ATOM 1091 CG2 THR A 5 -9.674 9.433 9.282 1.00 0.41 C ATOM 1092 H THR A 5 -9.227 8.532 13.259 1.00 0.53 H ATOM 1093 HA THR A 5 -11.297 9.096 11.353 1.00 0.44 H ATOM 1094 HB THR A 5 -8.459 8.366 10.693 1.00 0.43 H ATOM 1095 HG1 THR A 5 -9.588 10.566 11.918 1.00 1.02 H ATOM 1096 HG21 THR A 5 -10.656 9.884 9.281 1.00 1.08 H ATOM 1097 HG22 THR A 5 -8.961 10.131 8.868 1.00 1.08 H ATOM 1098 HG23 THR A 5 -9.690 8.538 8.677 1.00 1.11 H ATOM 1099 N VAL A 6 -11.953 6.918 10.416 1.00 0.41 N ATOM 1100 CA VAL A 6 -12.361 5.639 9.771 1.00 0.39 C ATOM 1101 C VAL A 6 -12.819 5.984 8.362 1.00 0.35 C ATOM 1102 O VAL A 6 -13.441 7.004 8.141 1.00 0.36 O ATOM 1103 CB VAL A 6 -13.513 4.996 10.555 1.00 0.43 C ATOM 1104 CG1 VAL A 6 -13.007 4.477 11.917 1.00 0.50 C ATOM 1105 CG2 VAL A 6 -14.617 6.036 10.779 1.00 0.49 C ATOM 1106 H VAL A 6 -12.603 7.649 10.480 1.00 0.48 H ATOM 1107 HA VAL A 6 -11.521 4.958 9.722 1.00 0.39 H ATOM 1108 HB VAL A 6 -13.911 4.169 9.985 1.00 0.43 H ATOM 1109 HG11 VAL A 6 -11.994 4.113 11.820 1.00 1.12 H ATOM 1110 HG12 VAL A 6 -13.029 5.275 12.646 1.00 1.16 H ATOM 1111 HG13 VAL A 6 -13.644 3.671 12.252 1.00 1.13 H ATOM 1112 HG21 VAL A 6 -14.957 6.412 9.827 1.00 1.15 H ATOM 1113 HG22 VAL A 6 -15.443 5.577 11.301 1.00 1.13 H ATOM 1114 HG23 VAL A 6 -14.228 6.852 11.371 1.00 1.12 H ATOM 1115 N CYS A 7 -12.520 5.171 7.396 1.00 0.33 N ATOM 1116 CA CYS A 7 -12.947 5.496 6.015 1.00 0.31 C ATOM 1117 C CYS A 7 -14.468 5.558 5.947 1.00 0.34 C ATOM 1118 O CYS A 7 -15.155 4.589 6.201 1.00 0.36 O ATOM 1119 CB CYS A 7 -12.418 4.420 5.078 1.00 0.32 C ATOM 1120 SG CYS A 7 -12.737 4.881 3.361 1.00 0.31 S ATOM 1121 H CYS A 7 -12.021 4.345 7.558 1.00 0.34 H ATOM 1122 HA CYS A 7 -12.537 6.447 5.720 1.00 0.30 H ATOM 1123 HB2 CYS A 7 -11.354 4.326 5.227 1.00 0.34 H ATOM 1124 HB3 CYS A 7 -12.899 3.479 5.298 1.00 0.36 H ATOM 1125 N SER A 8 -14.996 6.695 5.606 1.00 0.36 N ATOM 1126 CA SER A 8 -16.471 6.835 5.524 1.00 0.41 C ATOM 1127 C SER A 8 -17.023 5.854 4.491 1.00 0.43 C ATOM 1128 O SER A 8 -18.067 5.263 4.678 1.00 0.46 O ATOM 1129 CB SER A 8 -16.818 8.259 5.093 1.00 0.43 C ATOM 1130 OG SER A 8 -16.508 9.157 6.149 1.00 0.44 O ATOM 1131 H SER A 8 -14.422 7.462 5.409 1.00 0.35 H ATOM 1132 HA SER A 8 -16.907 6.640 6.491 1.00 0.42 H ATOM 1133 HB2 SER A 8 -16.244 8.525 4.222 1.00 0.43 H ATOM 1134 HB3 SER A 8 -17.873 8.313 4.856 1.00 0.48 H ATOM 1135 HG SER A 8 -15.729 9.657 5.892 1.00 1.04 H ATOM 1136 N ASN A 9 -16.342 5.689 3.388 1.00 0.42 N ATOM 1137 CA ASN A 9 -16.844 4.763 2.343 1.00 0.45 C ATOM 1138 C ASN A 9 -16.660 3.301 2.755 1.00 0.44 C ATOM 1139 O ASN A 9 -17.556 2.504 2.552 1.00 0.48 O ATOM 1140 CB ASN A 9 -16.109 5.018 1.021 1.00 0.46 C ATOM 1141 CG ASN A 9 -16.645 6.296 0.372 1.00 0.50 C ATOM 1142 OD1 ASN A 9 -17.694 6.784 0.745 1.00 1.20 O ATOM 1143 ND2 ASN A 9 -15.974 6.850 -0.605 1.00 1.16 N ATOM 1144 H ASN A 9 -15.506 6.179 3.239 1.00 0.39 H ATOM 1145 HA ASN A 9 -17.899 4.947 2.197 1.00 0.49 H ATOM 1146 HB2 ASN A 9 -15.051 5.128 1.213 1.00 0.42 H ATOM 1147 HB3 ASN A 9 -16.268 4.186 0.352 1.00 0.50 H ATOM 1148 HD21 ASN A 9 -15.135 6.447 -0.914 1.00 1.92 H ATOM 1149 HD22 ASN A 9 -16.310 7.667 -1.030 1.00 1.17 H ATOM 1150 N CYS A 10 -15.506 2.908 3.279 1.00 0.40 N ATOM 1151 CA CYS A 10 -15.311 1.453 3.626 1.00 0.42 C ATOM 1152 C CYS A 10 -14.860 1.213 5.084 1.00 0.42 C ATOM 1153 O CYS A 10 -14.539 0.099 5.442 1.00 0.58 O ATOM 1154 CB CYS A 10 -14.306 0.838 2.656 1.00 0.43 C ATOM 1155 SG CYS A 10 -12.619 1.261 3.167 1.00 0.39 S ATOM 1156 H CYS A 10 -14.768 3.543 3.389 1.00 0.38 H ATOM 1157 HA CYS A 10 -16.253 0.949 3.508 1.00 0.46 H ATOM 1158 HB2 CYS A 10 -14.429 -0.234 2.651 1.00 0.46 H ATOM 1159 HB3 CYS A 10 -14.488 1.223 1.664 1.00 0.44 H ATOM 1160 N GLN A 11 -14.891 2.205 5.938 1.00 0.40 N ATOM 1161 CA GLN A 11 -14.544 2.005 7.394 1.00 0.39 C ATOM 1162 C GLN A 11 -13.119 1.485 7.680 1.00 0.41 C ATOM 1163 O GLN A 11 -12.789 1.274 8.831 1.00 0.55 O ATOM 1164 CB GLN A 11 -15.552 1.034 8.026 1.00 0.43 C ATOM 1165 CG GLN A 11 -16.923 1.703 8.128 1.00 1.09 C ATOM 1166 CD GLN A 11 -17.919 0.715 8.738 1.00 1.66 C ATOM 1167 OE1 GLN A 11 -17.949 -0.442 8.364 1.00 2.07 O ATOM 1168 NE2 GLN A 11 -18.735 1.122 9.673 1.00 2.51 N ATOM 1169 H GLN A 11 -15.189 3.099 5.669 1.00 0.50 H ATOM 1170 HA GLN A 11 -14.651 2.956 7.889 1.00 0.42 H ATOM 1171 HB2 GLN A 11 -15.633 0.144 7.426 1.00 0.92 H ATOM 1172 HB3 GLN A 11 -15.217 0.765 9.018 1.00 0.92 H ATOM 1173 HG2 GLN A 11 -16.853 2.581 8.754 1.00 1.68 H ATOM 1174 HG3 GLN A 11 -17.258 1.988 7.142 1.00 1.70 H ATOM 1175 HE21 GLN A 11 -18.705 2.054 9.977 1.00 2.88 H ATOM 1176 HE22 GLN A 11 -19.376 0.497 10.072 1.00 3.07 H ATOM 1177 N THR A 12 -12.257 1.279 6.721 1.00 0.36 N ATOM 1178 CA THR A 12 -10.892 0.785 7.108 1.00 0.38 C ATOM 1179 C THR A 12 -10.212 1.856 7.957 1.00 0.38 C ATOM 1180 O THR A 12 -10.381 3.034 7.720 1.00 0.40 O ATOM 1181 CB THR A 12 -10.034 0.495 5.867 1.00 0.39 C ATOM 1182 OG1 THR A 12 -8.742 0.075 6.290 1.00 0.45 O ATOM 1183 CG2 THR A 12 -9.897 1.767 5.040 1.00 0.36 C ATOM 1184 H THR A 12 -12.489 1.443 5.784 1.00 0.42 H ATOM 1185 HA THR A 12 -10.986 -0.122 7.684 1.00 0.40 H ATOM 1186 HB THR A 12 -10.494 -0.289 5.267 1.00 0.41 H ATOM 1187 HG1 THR A 12 -8.680 -0.874 6.163 1.00 0.97 H ATOM 1188 HG21 THR A 12 -10.870 2.158 4.831 1.00 1.08 H ATOM 1189 HG22 THR A 12 -9.336 2.496 5.598 1.00 1.06 H ATOM 1190 HG23 THR A 12 -9.387 1.548 4.114 1.00 1.06 H ATOM 1191 N SER A 13 -9.413 1.453 8.918 1.00 0.42 N ATOM 1192 CA SER A 13 -8.676 2.453 9.762 1.00 0.45 C ATOM 1193 C SER A 13 -7.214 2.393 9.344 1.00 0.42 C ATOM 1194 O SER A 13 -6.389 3.176 9.771 1.00 0.49 O ATOM 1195 CB SER A 13 -8.827 2.128 11.249 1.00 0.49 C ATOM 1196 OG SER A 13 -8.297 0.832 11.501 1.00 1.23 O ATOM 1197 H SER A 13 -9.273 0.490 9.031 1.00 0.46 H ATOM 1198 HA SER A 13 -9.064 3.442 9.541 1.00 0.49 H ATOM 1199 HB2 SER A 13 -8.286 2.853 11.835 1.00 1.02 H ATOM 1200 HB3 SER A 13 -9.875 2.160 11.520 1.00 1.00 H ATOM 1201 HG SER A 13 -7.363 0.843 11.276 1.00 1.66 H ATOM 1202 N THR A 14 -6.905 1.471 8.469 1.00 0.41 N ATOM 1203 CA THR A 14 -5.519 1.334 7.949 1.00 0.41 C ATOM 1204 C THR A 14 -5.507 1.918 6.544 1.00 0.46 C ATOM 1205 O THR A 14 -6.214 1.458 5.669 1.00 0.99 O ATOM 1206 CB THR A 14 -5.143 -0.147 7.875 1.00 0.42 C ATOM 1207 OG1 THR A 14 -5.976 -0.795 6.923 1.00 0.56 O ATOM 1208 CG2 THR A 14 -5.327 -0.800 9.244 1.00 0.58 C ATOM 1209 H THR A 14 -7.599 0.870 8.124 1.00 0.46 H ATOM 1210 HA THR A 14 -4.817 1.863 8.579 1.00 0.43 H ATOM 1211 HB THR A 14 -4.112 -0.241 7.573 1.00 0.51 H ATOM 1212 HG1 THR A 14 -6.052 -1.719 7.173 1.00 1.11 H ATOM 1213 HG21 THR A 14 -6.264 -0.482 9.675 1.00 1.17 H ATOM 1214 HG22 THR A 14 -5.330 -1.873 9.130 1.00 1.21 H ATOM 1215 HG23 THR A 14 -4.514 -0.510 9.892 1.00 1.21 H ATOM 1216 N THR A 15 -4.717 2.923 6.311 1.00 0.38 N ATOM 1217 CA THR A 15 -4.675 3.535 4.952 1.00 0.31 C ATOM 1218 C THR A 15 -3.266 4.035 4.683 1.00 0.30 C ATOM 1219 O THR A 15 -2.577 4.478 5.581 1.00 0.33 O ATOM 1220 CB THR A 15 -5.640 4.724 4.898 1.00 0.29 C ATOM 1221 OG1 THR A 15 -5.019 5.863 5.480 1.00 0.30 O ATOM 1222 CG2 THR A 15 -6.901 4.388 5.681 1.00 0.31 C ATOM 1223 H THR A 15 -4.150 3.275 7.029 1.00 0.82 H ATOM 1224 HA THR A 15 -4.953 2.806 4.204 1.00 0.31 H ATOM 1225 HB THR A 15 -5.906 4.935 3.873 1.00 0.29 H ATOM 1226 HG1 THR A 15 -5.671 6.567 5.523 1.00 0.96 H ATOM 1227 HG21 THR A 15 -7.315 3.473 5.300 1.00 1.07 H ATOM 1228 HG22 THR A 15 -6.657 4.268 6.726 1.00 1.06 H ATOM 1229 HG23 THR A 15 -7.619 5.185 5.566 1.00 1.06 H ATOM 1230 N THR A 16 -2.832 4.004 3.458 1.00 0.28 N ATOM 1231 CA THR A 16 -1.474 4.522 3.170 1.00 0.29 C ATOM 1232 C THR A 16 -1.553 6.044 3.215 1.00 0.28 C ATOM 1233 O THR A 16 -0.679 6.709 3.737 1.00 0.30 O ATOM 1234 CB THR A 16 -0.984 4.071 1.790 1.00 0.30 C ATOM 1235 OG1 THR A 16 -1.571 4.902 0.799 1.00 0.40 O ATOM 1236 CG2 THR A 16 -1.358 2.600 1.500 1.00 0.34 C ATOM 1237 H THR A 16 -3.408 3.676 2.735 1.00 0.27 H ATOM 1238 HA THR A 16 -0.788 4.177 3.931 1.00 0.32 H ATOM 1239 HB THR A 16 0.090 4.176 1.762 1.00 0.36 H ATOM 1240 HG1 THR A 16 -2.500 5.014 1.016 1.00 0.95 H ATOM 1241 HG21 THR A 16 -1.839 2.155 2.356 1.00 1.10 H ATOM 1242 HG22 THR A 16 -2.031 2.567 0.656 1.00 1.04 H ATOM 1243 HG23 THR A 16 -0.466 2.034 1.263 1.00 1.10 H ATOM 1244 N LEU A 17 -2.620 6.604 2.693 1.00 0.26 N ATOM 1245 CA LEU A 17 -2.783 8.090 2.730 1.00 0.26 C ATOM 1246 C LEU A 17 -4.262 8.408 2.959 1.00 0.27 C ATOM 1247 O LEU A 17 -5.127 7.897 2.275 1.00 0.26 O ATOM 1248 CB LEU A 17 -2.306 8.715 1.401 1.00 0.27 C ATOM 1249 CG LEU A 17 -1.715 10.107 1.632 1.00 0.30 C ATOM 1250 CD1 LEU A 17 -0.439 10.031 2.513 1.00 0.37 C ATOM 1251 CD2 LEU A 17 -1.377 10.671 0.261 1.00 0.36 C ATOM 1252 H LEU A 17 -3.327 6.043 2.299 1.00 0.25 H ATOM 1253 HA LEU A 17 -2.217 8.490 3.548 1.00 0.28 H ATOM 1254 HB2 LEU A 17 -1.557 8.092 0.948 1.00 0.29 H ATOM 1255 HB3 LEU A 17 -3.139 8.813 0.719 1.00 0.26 H ATOM 1256 HG LEU A 17 -2.452 10.738 2.109 1.00 0.31 H ATOM 1257 HD11 LEU A 17 0.007 9.050 2.433 1.00 1.03 H ATOM 1258 HD12 LEU A 17 0.279 10.773 2.193 1.00 1.03 H ATOM 1259 HD13 LEU A 17 -0.702 10.220 3.545 1.00 1.02 H ATOM 1260 HD21 LEU A 17 -0.747 9.973 -0.267 1.00 1.04 H ATOM 1261 HD22 LEU A 17 -2.288 10.821 -0.294 1.00 1.04 H ATOM 1262 HD23 LEU A 17 -0.868 11.604 0.370 1.00 1.16 H ATOM 1263 N TRP A 18 -4.563 9.252 3.905 1.00 0.29 N ATOM 1264 CA TRP A 18 -5.980 9.606 4.164 1.00 0.30 C ATOM 1265 C TRP A 18 -6.423 10.671 3.167 1.00 0.30 C ATOM 1266 O TRP A 18 -5.764 11.676 2.983 1.00 0.30 O ATOM 1267 CB TRP A 18 -6.097 10.163 5.590 1.00 0.33 C ATOM 1268 CG TRP A 18 -6.129 9.029 6.567 1.00 0.31 C ATOM 1269 CD1 TRP A 18 -5.126 8.691 7.412 1.00 0.34 C ATOM 1270 CD2 TRP A 18 -7.202 8.073 6.804 1.00 0.29 C ATOM 1271 NE1 TRP A 18 -5.516 7.592 8.154 1.00 0.34 N ATOM 1272 CE2 TRP A 18 -6.786 7.174 7.823 1.00 0.31 C ATOM 1273 CE3 TRP A 18 -8.488 7.899 6.243 1.00 0.29 C ATOM 1274 CZ2 TRP A 18 -7.616 6.139 8.271 1.00 0.33 C ATOM 1275 CZ3 TRP A 18 -9.326 6.856 6.692 1.00 0.31 C ATOM 1276 CH2 TRP A 18 -8.890 5.979 7.704 1.00 0.32 C ATOM 1277 H TRP A 18 -3.864 9.672 4.447 1.00 0.30 H ATOM 1278 HA TRP A 18 -6.618 8.736 4.077 1.00 0.30 H ATOM 1279 HB2 TRP A 18 -5.247 10.795 5.800 1.00 0.36 H ATOM 1280 HB3 TRP A 18 -7.005 10.741 5.682 1.00 0.35 H ATOM 1281 HD1 TRP A 18 -4.176 9.195 7.495 1.00 0.38 H ATOM 1282 HE1 TRP A 18 -4.972 7.153 8.840 1.00 0.38 H ATOM 1283 HE3 TRP A 18 -8.831 8.566 5.466 1.00 0.31 H ATOM 1284 HZ2 TRP A 18 -7.278 5.469 9.048 1.00 0.37 H ATOM 1285 HZ3 TRP A 18 -10.303 6.727 6.257 1.00 0.34 H ATOM 1286 HH2 TRP A 18 -9.536 5.186 8.044 1.00 0.35 H ATOM 1287 N ARG A 19 -7.536 10.457 2.525 1.00 0.30 N ATOM 1288 CA ARG A 19 -8.044 11.447 1.534 1.00 0.31 C ATOM 1289 C ARG A 19 -9.253 12.156 2.129 1.00 0.32 C ATOM 1290 O ARG A 19 -9.791 11.748 3.141 1.00 0.65 O ATOM 1291 CB ARG A 19 -8.500 10.717 0.265 1.00 0.35 C ATOM 1292 CG ARG A 19 -7.413 9.772 -0.235 1.00 0.57 C ATOM 1293 CD ARG A 19 -6.221 10.563 -0.762 1.00 0.77 C ATOM 1294 NE ARG A 19 -5.338 9.623 -1.522 1.00 1.20 N ATOM 1295 CZ ARG A 19 -4.266 10.054 -2.132 1.00 0.63 C ATOM 1296 NH1 ARG A 19 -3.883 11.287 -2.000 1.00 0.54 N ATOM 1297 NH2 ARG A 19 -3.556 9.239 -2.855 1.00 1.03 N ATOM 1298 H ARG A 19 -8.044 9.635 2.691 1.00 0.32 H ATOM 1299 HA ARG A 19 -7.279 12.165 1.278 1.00 0.30 H ATOM 1300 HB2 ARG A 19 -9.382 10.147 0.484 1.00 0.67 H ATOM 1301 HB3 ARG A 19 -8.724 11.440 -0.504 1.00 0.35 H ATOM 1302 HG2 ARG A 19 -7.091 9.142 0.579 1.00 0.91 H ATOM 1303 HG3 ARG A 19 -7.814 9.160 -1.029 1.00 0.58 H ATOM 1304 HD2 ARG A 19 -6.561 11.340 -1.418 1.00 0.78 H ATOM 1305 HD3 ARG A 19 -5.690 11.006 0.072 1.00 0.91 H ATOM 1306 HE ARG A 19 -5.586 8.677 -1.593 1.00 1.96 H ATOM 1307 HH11 ARG A 19 -4.407 11.918 -1.427 1.00 0.82 H ATOM 1308 HH12 ARG A 19 -3.068 11.602 -2.471 1.00 0.95 H ATOM 1309 HH21 ARG A 19 -3.830 8.282 -2.947 1.00 1.79 H ATOM 1310 HH22 ARG A 19 -2.735 9.571 -3.321 1.00 0.65 H ATOM 1311 N ARG A 20 -9.719 13.171 1.464 1.00 0.49 N ATOM 1312 CA ARG A 20 -10.939 13.890 1.908 1.00 0.49 C ATOM 1313 C ARG A 20 -11.893 13.795 0.719 1.00 0.54 C ATOM 1314 O ARG A 20 -11.483 13.969 -0.412 1.00 0.81 O ATOM 1315 CB ARG A 20 -10.592 15.349 2.236 1.00 0.57 C ATOM 1316 CG ARG A 20 -11.632 15.925 3.205 1.00 1.18 C ATOM 1317 CD ARG A 20 -11.485 15.292 4.611 1.00 0.88 C ATOM 1318 NE ARG A 20 -11.244 16.366 5.617 1.00 1.56 N ATOM 1319 CZ ARG A 20 -11.397 16.112 6.889 1.00 1.85 C ATOM 1320 NH1 ARG A 20 -11.786 14.927 7.276 1.00 2.10 N ATOM 1321 NH2 ARG A 20 -11.165 17.042 7.775 1.00 2.59 N ATOM 1322 H ARG A 20 -9.295 13.421 0.619 1.00 0.83 H ATOM 1323 HA ARG A 20 -11.384 13.389 2.767 1.00 0.46 H ATOM 1324 HB2 ARG A 20 -9.613 15.390 2.693 1.00 1.02 H ATOM 1325 HB3 ARG A 20 -10.586 15.936 1.329 1.00 0.99 H ATOM 1326 HG2 ARG A 20 -11.487 16.992 3.278 1.00 1.90 H ATOM 1327 HG3 ARG A 20 -12.620 15.724 2.817 1.00 1.84 H ATOM 1328 HD2 ARG A 20 -12.392 14.762 4.869 1.00 1.04 H ATOM 1329 HD3 ARG A 20 -10.654 14.600 4.629 1.00 1.06 H ATOM 1330 HE ARG A 20 -10.961 17.259 5.326 1.00 2.23 H ATOM 1331 HH11 ARG A 20 -11.966 14.214 6.598 1.00 2.02 H ATOM 1332 HH12 ARG A 20 -11.904 14.732 8.249 1.00 2.78 H ATOM 1333 HH21 ARG A 20 -10.869 17.951 7.481 1.00 3.02 H ATOM 1334 HH22 ARG A 20 -11.283 16.846 8.749 1.00 2.96 H ATOM 1335 N SER A 21 -13.144 13.493 0.939 1.00 0.50 N ATOM 1336 CA SER A 21 -14.081 13.359 -0.221 1.00 0.54 C ATOM 1337 C SER A 21 -14.729 14.723 -0.511 1.00 0.58 C ATOM 1338 O SER A 21 -14.761 15.583 0.341 1.00 0.56 O ATOM 1339 CB SER A 21 -15.140 12.289 0.102 1.00 0.54 C ATOM 1340 OG SER A 21 -15.104 11.278 -0.898 1.00 1.42 O ATOM 1341 H SER A 21 -13.459 13.357 1.857 1.00 0.64 H ATOM 1342 HA SER A 21 -13.507 13.060 -1.086 1.00 0.57 H ATOM 1343 HB2 SER A 21 -14.919 11.843 1.057 1.00 1.06 H ATOM 1344 HB3 SER A 21 -16.127 12.736 0.141 1.00 1.08 H ATOM 1345 HG SER A 21 -16.003 11.126 -1.199 1.00 1.80 H ATOM 1346 N PRO A 22 -15.235 14.929 -1.707 1.00 0.66 N ATOM 1347 CA PRO A 22 -15.879 16.225 -2.051 1.00 0.72 C ATOM 1348 C PRO A 22 -16.951 16.625 -1.021 1.00 0.68 C ATOM 1349 O PRO A 22 -17.346 17.770 -0.932 1.00 0.71 O ATOM 1350 CB PRO A 22 -16.504 15.933 -3.435 1.00 0.83 C ATOM 1351 CG PRO A 22 -16.082 14.515 -3.879 1.00 0.82 C ATOM 1352 CD PRO A 22 -15.193 13.902 -2.788 1.00 0.72 C ATOM 1353 HA PRO A 22 -15.128 16.995 -2.149 1.00 0.75 H ATOM 1354 HB2 PRO A 22 -17.585 15.993 -3.376 1.00 0.88 H ATOM 1355 HB3 PRO A 22 -16.148 16.658 -4.157 1.00 0.89 H ATOM 1356 HG2 PRO A 22 -16.961 13.898 -4.023 1.00 0.87 H ATOM 1357 HG3 PRO A 22 -15.527 14.568 -4.808 1.00 0.88 H ATOM 1358 HD2 PRO A 22 -15.598 12.960 -2.442 1.00 0.70 H ATOM 1359 HD3 PRO A 22 -14.181 13.778 -3.145 1.00 0.74 H ATOM 1360 N MET A 23 -17.419 15.679 -0.243 1.00 0.63 N ATOM 1361 CA MET A 23 -18.464 15.980 0.788 1.00 0.61 C ATOM 1362 C MET A 23 -17.794 16.272 2.135 1.00 0.56 C ATOM 1363 O MET A 23 -18.428 16.728 3.066 1.00 0.58 O ATOM 1364 CB MET A 23 -19.392 14.760 0.941 1.00 0.62 C ATOM 1365 CG MET A 23 -20.506 14.805 -0.110 1.00 1.44 C ATOM 1366 SD MET A 23 -21.575 13.356 0.102 1.00 1.98 S ATOM 1367 CE MET A 23 -22.912 13.851 -1.016 1.00 2.68 C ATOM 1368 H MET A 23 -17.074 14.765 -0.328 1.00 0.62 H ATOM 1369 HA MET A 23 -19.043 16.840 0.482 1.00 0.65 H ATOM 1370 HB2 MET A 23 -18.814 13.856 0.808 1.00 1.02 H ATOM 1371 HB3 MET A 23 -19.836 14.757 1.927 1.00 1.10 H ATOM 1372 HG2 MET A 23 -21.087 15.706 0.018 1.00 2.05 H ATOM 1373 HG3 MET A 23 -20.071 14.792 -1.099 1.00 2.07 H ATOM 1374 HE1 MET A 23 -22.693 14.818 -1.447 1.00 3.08 H ATOM 1375 HE2 MET A 23 -23.012 13.124 -1.805 1.00 3.05 H ATOM 1376 HE3 MET A 23 -23.838 13.903 -0.460 1.00 3.10 H ATOM 1377 N GLY A 24 -16.528 15.994 2.252 1.00 0.53 N ATOM 1378 CA GLY A 24 -15.823 16.230 3.545 1.00 0.51 C ATOM 1379 C GLY A 24 -15.904 14.956 4.386 1.00 0.47 C ATOM 1380 O GLY A 24 -15.779 14.987 5.594 1.00 0.48 O ATOM 1381 H GLY A 24 -16.043 15.611 1.495 1.00 0.53 H ATOM 1382 HA2 GLY A 24 -14.787 16.472 3.352 1.00 0.51 H ATOM 1383 HA3 GLY A 24 -16.292 17.042 4.081 1.00 0.53 H ATOM 1384 N ASP A 25 -16.103 13.830 3.749 1.00 0.44 N ATOM 1385 CA ASP A 25 -16.188 12.536 4.484 1.00 0.42 C ATOM 1386 C ASP A 25 -14.815 11.832 4.417 1.00 0.37 C ATOM 1387 O ASP A 25 -14.389 11.450 3.345 1.00 0.43 O ATOM 1388 CB ASP A 25 -17.216 11.650 3.775 1.00 0.45 C ATOM 1389 CG ASP A 25 -18.577 12.348 3.772 1.00 0.53 C ATOM 1390 OD1 ASP A 25 -19.031 12.723 4.840 1.00 1.23 O ATOM 1391 OD2 ASP A 25 -19.143 12.496 2.701 1.00 1.21 O ATOM 1392 H ASP A 25 -16.192 13.811 2.774 1.00 0.45 H ATOM 1393 HA ASP A 25 -16.508 12.688 5.499 1.00 0.44 H ATOM 1394 HB2 ASP A 25 -16.898 11.474 2.757 1.00 0.45 H ATOM 1395 HB3 ASP A 25 -17.299 10.708 4.294 1.00 0.47 H ATOM 1396 N PRO A 26 -14.111 11.650 5.519 1.00 0.34 N ATOM 1397 CA PRO A 26 -12.782 10.970 5.459 1.00 0.31 C ATOM 1398 C PRO A 26 -12.839 9.628 4.707 1.00 0.30 C ATOM 1399 O PRO A 26 -13.676 8.791 4.984 1.00 0.34 O ATOM 1400 CB PRO A 26 -12.458 10.765 6.952 1.00 0.34 C ATOM 1401 CG PRO A 26 -13.363 11.706 7.761 1.00 0.50 C ATOM 1402 CD PRO A 26 -14.558 12.088 6.876 1.00 0.40 C ATOM 1403 HA PRO A 26 -12.044 11.628 5.019 1.00 0.31 H ATOM 1404 HB2 PRO A 26 -12.651 9.736 7.239 1.00 0.40 H ATOM 1405 HB3 PRO A 26 -11.420 11.003 7.145 1.00 0.35 H ATOM 1406 HG2 PRO A 26 -13.711 11.207 8.657 1.00 0.67 H ATOM 1407 HG3 PRO A 26 -12.816 12.599 8.033 1.00 0.68 H ATOM 1408 HD2 PRO A 26 -15.447 11.548 7.184 1.00 0.43 H ATOM 1409 HD3 PRO A 26 -14.727 13.154 6.890 1.00 0.45 H ATOM 1410 N VAL A 27 -11.928 9.409 3.787 1.00 0.28 N ATOM 1411 CA VAL A 27 -11.899 8.100 3.048 1.00 0.28 C ATOM 1412 C VAL A 27 -10.456 7.612 2.911 1.00 0.26 C ATOM 1413 O VAL A 27 -9.520 8.376 3.032 1.00 0.26 O ATOM 1414 CB VAL A 27 -12.570 8.204 1.666 1.00 0.30 C ATOM 1415 CG1 VAL A 27 -14.094 8.350 1.841 1.00 0.32 C ATOM 1416 CG2 VAL A 27 -11.993 9.400 0.861 1.00 0.30 C ATOM 1417 H VAL A 27 -11.253 10.102 3.630 1.00 0.28 H ATOM 1418 HA VAL A 27 -12.430 7.381 3.633 1.00 0.29 H ATOM 1419 HB VAL A 27 -12.380 7.287 1.127 1.00 0.33 H ATOM 1420 HG11 VAL A 27 -14.442 7.680 2.616 1.00 0.97 H ATOM 1421 HG12 VAL A 27 -14.332 9.366 2.111 1.00 1.11 H ATOM 1422 HG13 VAL A 27 -14.586 8.100 0.913 1.00 1.11 H ATOM 1423 HG21 VAL A 27 -11.459 10.073 1.520 1.00 1.10 H ATOM 1424 HG22 VAL A 27 -11.313 9.027 0.106 1.00 1.07 H ATOM 1425 HG23 VAL A 27 -12.790 9.943 0.373 1.00 0.98 H ATOM 1426 N CYS A 28 -10.264 6.334 2.672 1.00 0.26 N ATOM 1427 CA CYS A 28 -8.882 5.791 2.544 1.00 0.25 C ATOM 1428 C CYS A 28 -8.350 6.010 1.120 1.00 0.25 C ATOM 1429 O CYS A 28 -9.098 6.209 0.183 1.00 0.25 O ATOM 1430 CB CYS A 28 -8.870 4.296 2.933 1.00 0.27 C ATOM 1431 SG CYS A 28 -9.714 3.269 1.693 1.00 0.31 S ATOM 1432 H CYS A 28 -11.020 5.728 2.568 1.00 0.28 H ATOM 1433 HA CYS A 28 -8.238 6.326 3.230 1.00 0.25 H ATOM 1434 HB2 CYS A 28 -7.845 3.966 3.014 1.00 0.28 H ATOM 1435 HB3 CYS A 28 -9.349 4.177 3.890 1.00 0.28 H ATOM 1436 N ASN A 29 -7.052 6.011 0.971 1.00 0.26 N ATOM 1437 CA ASN A 29 -6.421 6.258 -0.365 1.00 0.27 C ATOM 1438 C ASN A 29 -7.081 5.428 -1.468 1.00 0.25 C ATOM 1439 O ASN A 29 -7.232 5.886 -2.584 1.00 0.27 O ATOM 1440 CB ASN A 29 -4.938 5.891 -0.284 1.00 0.35 C ATOM 1441 CG ASN A 29 -4.258 6.202 -1.618 1.00 0.44 C ATOM 1442 OD1 ASN A 29 -4.716 5.777 -2.660 1.00 0.56 O ATOM 1443 ND2 ASN A 29 -3.175 6.932 -1.629 1.00 0.86 N ATOM 1444 H ASN A 29 -6.481 5.886 1.757 1.00 0.28 H ATOM 1445 HA ASN A 29 -6.507 7.298 -0.621 1.00 0.27 H ATOM 1446 HB2 ASN A 29 -4.468 6.465 0.503 1.00 0.38 H ATOM 1447 HB3 ASN A 29 -4.839 4.838 -0.069 1.00 0.39 H ATOM 1448 HD21 ASN A 29 -2.807 7.275 -0.788 1.00 1.21 H ATOM 1449 HD22 ASN A 29 -2.731 7.136 -2.479 1.00 0.93 H ATOM 1450 N ALA A 30 -7.457 4.219 -1.192 1.00 0.26 N ATOM 1451 CA ALA A 30 -8.080 3.388 -2.258 1.00 0.25 C ATOM 1452 C ALA A 30 -9.484 3.913 -2.618 1.00 0.27 C ATOM 1453 O ALA A 30 -9.770 4.182 -3.768 1.00 0.30 O ATOM 1454 CB ALA A 30 -8.161 1.945 -1.780 1.00 0.25 C ATOM 1455 H ALA A 30 -7.319 3.854 -0.293 1.00 0.28 H ATOM 1456 HA ALA A 30 -7.456 3.427 -3.140 1.00 0.25 H ATOM 1457 HB1 ALA A 30 -7.193 1.643 -1.406 1.00 1.03 H ATOM 1458 HB2 ALA A 30 -8.894 1.865 -0.994 1.00 1.03 H ATOM 1459 HB3 ALA A 30 -8.441 1.311 -2.606 1.00 1.03 H ATOM 1460 N CYS A 31 -10.365 4.052 -1.658 1.00 0.27 N ATOM 1461 CA CYS A 31 -11.747 4.548 -1.974 1.00 0.29 C ATOM 1462 C CYS A 31 -11.679 5.888 -2.699 1.00 0.29 C ATOM 1463 O CYS A 31 -12.402 6.135 -3.627 1.00 0.33 O ATOM 1464 CB CYS A 31 -12.541 4.779 -0.685 1.00 0.31 C ATOM 1465 SG CYS A 31 -13.042 3.215 0.047 1.00 0.35 S ATOM 1466 H CYS A 31 -10.125 3.822 -0.736 1.00 0.26 H ATOM 1467 HA CYS A 31 -12.260 3.826 -2.590 1.00 0.32 H ATOM 1468 HB2 CYS A 31 -11.921 5.309 0.017 1.00 0.28 H ATOM 1469 HB3 CYS A 31 -13.422 5.370 -0.898 1.00 0.33 H ATOM 1470 N GLY A 32 -10.846 6.771 -2.256 1.00 0.28 N ATOM 1471 CA GLY A 32 -10.793 8.103 -2.908 1.00 0.30 C ATOM 1472 C GLY A 32 -10.547 7.958 -4.409 1.00 0.31 C ATOM 1473 O GLY A 32 -11.240 8.542 -5.218 1.00 0.34 O ATOM 1474 H GLY A 32 -10.277 6.563 -1.487 1.00 0.27 H ATOM 1475 HA2 GLY A 32 -11.730 8.613 -2.749 1.00 0.33 H ATOM 1476 HA3 GLY A 32 -10.001 8.677 -2.474 1.00 0.32 H ATOM 1477 N LEU A 33 -9.565 7.196 -4.791 1.00 0.29 N ATOM 1478 CA LEU A 33 -9.276 7.038 -6.243 1.00 0.31 C ATOM 1479 C LEU A 33 -10.386 6.221 -6.914 1.00 0.33 C ATOM 1480 O LEU A 33 -10.920 6.612 -7.930 1.00 0.37 O ATOM 1481 CB LEU A 33 -7.931 6.326 -6.415 1.00 0.30 C ATOM 1482 CG LEU A 33 -6.826 7.103 -5.673 1.00 0.31 C ATOM 1483 CD1 LEU A 33 -5.625 6.183 -5.430 1.00 0.29 C ATOM 1484 CD2 LEU A 33 -6.374 8.308 -6.512 1.00 0.38 C ATOM 1485 H LEU A 33 -9.007 6.741 -4.125 1.00 0.28 H ATOM 1486 HA LEU A 33 -9.233 8.008 -6.711 1.00 0.35 H ATOM 1487 HB2 LEU A 33 -8.005 5.325 -6.013 1.00 0.28 H ATOM 1488 HB3 LEU A 33 -7.689 6.273 -7.465 1.00 0.31 H ATOM 1489 HG LEU A 33 -7.202 7.448 -4.722 1.00 0.35 H ATOM 1490 HD11 LEU A 33 -5.951 5.295 -4.906 1.00 1.00 H ATOM 1491 HD12 LEU A 33 -5.188 5.902 -6.376 1.00 1.03 H ATOM 1492 HD13 LEU A 33 -4.891 6.701 -4.832 1.00 1.11 H ATOM 1493 HD21 LEU A 33 -6.085 7.976 -7.497 1.00 1.06 H ATOM 1494 HD22 LEU A 33 -7.181 9.020 -6.594 1.00 1.12 H ATOM 1495 HD23 LEU A 33 -5.531 8.783 -6.032 1.00 1.00 H ATOM 1496 N TYR A 34 -10.750 5.098 -6.361 1.00 0.32 N ATOM 1497 CA TYR A 34 -11.830 4.287 -6.993 1.00 0.36 C ATOM 1498 C TYR A 34 -13.111 5.112 -7.060 1.00 0.37 C ATOM 1499 O TYR A 34 -13.779 5.169 -8.075 1.00 0.41 O ATOM 1500 CB TYR A 34 -12.094 3.031 -6.161 1.00 0.39 C ATOM 1501 CG TYR A 34 -13.242 2.259 -6.766 1.00 0.44 C ATOM 1502 CD1 TYR A 34 -14.564 2.558 -6.384 1.00 0.38 C ATOM 1503 CD2 TYR A 34 -12.995 1.240 -7.708 1.00 0.77 C ATOM 1504 CE1 TYR A 34 -15.638 1.842 -6.943 1.00 0.47 C ATOM 1505 CE2 TYR A 34 -14.071 0.524 -8.267 1.00 0.88 C ATOM 1506 CZ TYR A 34 -15.393 0.825 -7.885 1.00 0.68 C ATOM 1507 OH TYR A 34 -16.448 0.124 -8.434 1.00 0.82 O ATOM 1508 H TYR A 34 -10.318 4.785 -5.539 1.00 0.30 H ATOM 1509 HA TYR A 34 -11.533 4.002 -7.992 1.00 0.41 H ATOM 1510 HB2 TYR A 34 -11.210 2.413 -6.156 1.00 0.46 H ATOM 1511 HB3 TYR A 34 -12.343 3.312 -5.149 1.00 0.38 H ATOM 1512 HD1 TYR A 34 -14.753 3.339 -5.662 1.00 0.49 H ATOM 1513 HD2 TYR A 34 -11.982 1.009 -8.001 1.00 0.98 H ATOM 1514 HE1 TYR A 34 -16.651 2.074 -6.649 1.00 0.56 H ATOM 1515 HE2 TYR A 34 -13.884 -0.257 -8.989 1.00 1.16 H ATOM 1516 HH TYR A 34 -16.171 -0.203 -9.293 1.00 1.30 H ATOM 1517 N TYR A 35 -13.467 5.743 -5.980 1.00 0.34 N ATOM 1518 CA TYR A 35 -14.707 6.558 -5.959 1.00 0.36 C ATOM 1519 C TYR A 35 -14.591 7.678 -6.994 1.00 0.39 C ATOM 1520 O TYR A 35 -15.486 7.929 -7.754 1.00 0.42 O ATOM 1521 CB TYR A 35 -14.889 7.170 -4.564 1.00 0.37 C ATOM 1522 CG TYR A 35 -16.317 7.625 -4.409 1.00 0.42 C ATOM 1523 CD1 TYR A 35 -16.702 8.890 -4.879 1.00 0.47 C ATOM 1524 CD2 TYR A 35 -17.264 6.777 -3.800 1.00 0.44 C ATOM 1525 CE1 TYR A 35 -18.038 9.315 -4.741 1.00 0.55 C ATOM 1526 CE2 TYR A 35 -18.597 7.197 -3.661 1.00 0.50 C ATOM 1527 CZ TYR A 35 -18.987 8.467 -4.132 1.00 0.56 C ATOM 1528 OH TYR A 35 -20.296 8.882 -3.996 1.00 0.64 O ATOM 1529 H TYR A 35 -12.919 5.683 -5.173 1.00 0.32 H ATOM 1530 HA TYR A 35 -15.553 5.930 -6.194 1.00 0.37 H ATOM 1531 HB2 TYR A 35 -14.655 6.439 -3.806 1.00 0.35 H ATOM 1532 HB3 TYR A 35 -14.230 8.020 -4.452 1.00 0.38 H ATOM 1533 HD1 TYR A 35 -15.971 9.534 -5.348 1.00 0.48 H ATOM 1534 HD2 TYR A 35 -16.966 5.802 -3.442 1.00 0.43 H ATOM 1535 HE1 TYR A 35 -18.335 10.288 -5.103 1.00 0.61 H ATOM 1536 HE2 TYR A 35 -19.321 6.543 -3.194 1.00 0.53 H ATOM 1537 HH TYR A 35 -20.371 9.758 -4.381 1.00 1.09 H ATOM 1538 N LYS A 36 -13.495 8.363 -7.025 1.00 0.40 N ATOM 1539 CA LYS A 36 -13.350 9.469 -8.011 1.00 0.46 C ATOM 1540 C LYS A 36 -13.475 8.923 -9.437 1.00 0.48 C ATOM 1541 O LYS A 36 -14.122 9.514 -10.279 1.00 0.53 O ATOM 1542 CB LYS A 36 -11.968 10.096 -7.825 1.00 0.49 C ATOM 1543 CG LYS A 36 -11.766 11.233 -8.822 1.00 0.73 C ATOM 1544 CD LYS A 36 -10.448 11.952 -8.509 1.00 0.75 C ATOM 1545 CE LYS A 36 -9.256 11.048 -8.851 1.00 0.72 C ATOM 1546 NZ LYS A 36 -8.029 11.883 -8.992 1.00 1.55 N ATOM 1547 H LYS A 36 -12.774 8.168 -6.394 1.00 0.39 H ATOM 1548 HA LYS A 36 -14.123 10.210 -7.851 1.00 0.48 H ATOM 1549 HB2 LYS A 36 -11.883 10.482 -6.819 1.00 0.71 H ATOM 1550 HB3 LYS A 36 -11.213 9.342 -7.984 1.00 0.67 H ATOM 1551 HG2 LYS A 36 -11.736 10.834 -9.826 1.00 0.97 H ATOM 1552 HG3 LYS A 36 -12.583 11.932 -8.739 1.00 0.98 H ATOM 1553 HD2 LYS A 36 -10.388 12.861 -9.089 1.00 0.90 H ATOM 1554 HD3 LYS A 36 -10.417 12.197 -7.457 1.00 0.88 H ATOM 1555 HE2 LYS A 36 -9.109 10.330 -8.059 1.00 1.15 H ATOM 1556 HE3 LYS A 36 -9.444 10.528 -9.779 1.00 0.98 H ATOM 1557 HZ1 LYS A 36 -8.276 12.885 -8.867 1.00 2.01 H ATOM 1558 HZ2 LYS A 36 -7.334 11.607 -8.270 1.00 2.08 H ATOM 1559 HZ3 LYS A 36 -7.619 11.742 -9.940 1.00 2.06 H ATOM 1560 N LEU A 37 -12.866 7.810 -9.718 1.00 0.48 N ATOM 1561 CA LEU A 37 -12.951 7.245 -11.094 1.00 0.53 C ATOM 1562 C LEU A 37 -14.361 6.707 -11.399 1.00 0.57 C ATOM 1563 O LEU A 37 -14.841 6.850 -12.508 1.00 0.67 O ATOM 1564 CB LEU A 37 -11.908 6.114 -11.236 1.00 0.55 C ATOM 1565 CG LEU A 37 -10.573 6.677 -11.756 1.00 0.59 C ATOM 1566 CD1 LEU A 37 -10.021 7.734 -10.790 1.00 0.60 C ATOM 1567 CD2 LEU A 37 -9.563 5.536 -11.886 1.00 0.68 C ATOM 1568 H LEU A 37 -12.346 7.347 -9.028 1.00 0.45 H ATOM 1569 HA LEU A 37 -12.725 8.024 -11.804 1.00 0.58 H ATOM 1570 HB2 LEU A 37 -11.747 5.655 -10.272 1.00 0.55 H ATOM 1571 HB3 LEU A 37 -12.267 5.366 -11.930 1.00 0.59 H ATOM 1572 HG LEU A 37 -10.733 7.126 -12.724 1.00 0.63 H ATOM 1573 HD11 LEU A 37 -10.754 8.512 -10.637 1.00 1.13 H ATOM 1574 HD12 LEU A 37 -9.785 7.272 -9.846 1.00 1.20 H ATOM 1575 HD13 LEU A 37 -9.125 8.168 -11.210 1.00 1.16 H ATOM 1576 HD21 LEU A 37 -10.031 4.696 -12.377 1.00 1.16 H ATOM 1577 HD22 LEU A 37 -8.717 5.869 -12.468 1.00 1.30 H ATOM 1578 HD23 LEU A 37 -9.228 5.237 -10.903 1.00 1.26 H ATOM 1579 N HIS A 38 -15.016 6.062 -10.455 1.00 0.54 N ATOM 1580 CA HIS A 38 -16.380 5.482 -10.739 1.00 0.65 C ATOM 1581 C HIS A 38 -17.491 6.184 -9.943 1.00 0.69 C ATOM 1582 O HIS A 38 -18.652 6.048 -10.263 1.00 1.18 O ATOM 1583 CB HIS A 38 -16.356 3.995 -10.392 1.00 0.73 C ATOM 1584 CG HIS A 38 -15.374 3.304 -11.298 1.00 0.75 C ATOM 1585 ND1 HIS A 38 -15.765 2.697 -12.482 1.00 0.91 N ATOM 1586 CD2 HIS A 38 -14.014 3.133 -11.220 1.00 0.71 C ATOM 1587 CE1 HIS A 38 -14.662 2.194 -13.064 1.00 0.96 C ATOM 1588 NE2 HIS A 38 -13.566 2.431 -12.336 1.00 0.85 N ATOM 1589 H HIS A 38 -14.602 5.930 -9.577 1.00 0.49 H ATOM 1590 HA HIS A 38 -16.605 5.578 -11.792 1.00 0.71 H ATOM 1591 HB2 HIS A 38 -16.056 3.866 -9.363 1.00 0.71 H ATOM 1592 HB3 HIS A 38 -17.338 3.573 -10.542 1.00 0.86 H ATOM 1593 HD1 HIS A 38 -16.680 2.645 -12.831 1.00 1.01 H ATOM 1594 HD2 HIS A 38 -13.385 3.496 -10.421 1.00 0.64 H ATOM 1595 HE1 HIS A 38 -14.661 1.665 -14.005 1.00 1.11 H ATOM 1596 N GLN A 39 -17.169 6.960 -8.944 1.00 0.48 N ATOM 1597 CA GLN A 39 -18.216 7.698 -8.167 1.00 0.50 C ATOM 1598 C GLN A 39 -19.361 6.756 -7.719 1.00 0.56 C ATOM 1599 O GLN A 39 -20.527 7.082 -7.739 1.00 0.64 O ATOM 1600 CB GLN A 39 -18.654 8.919 -9.019 1.00 0.56 C ATOM 1601 CG GLN A 39 -20.079 9.397 -8.700 1.00 1.34 C ATOM 1602 CD GLN A 39 -20.278 10.811 -9.252 1.00 1.50 C ATOM 1603 OE1 GLN A 39 -19.322 11.527 -9.481 1.00 1.67 O ATOM 1604 NE2 GLN A 39 -21.492 11.242 -9.480 1.00 2.08 N ATOM 1605 H GLN A 39 -16.238 7.126 -8.683 1.00 0.72 H ATOM 1606 HA GLN A 39 -17.729 8.044 -7.267 1.00 0.48 H ATOM 1607 HB2 GLN A 39 -17.962 9.733 -8.833 1.00 1.07 H ATOM 1608 HB3 GLN A 39 -18.595 8.652 -10.063 1.00 1.07 H ATOM 1609 HG2 GLN A 39 -20.792 8.741 -9.176 1.00 1.90 H ATOM 1610 HG3 GLN A 39 -20.236 9.403 -7.633 1.00 1.93 H ATOM 1611 HE21 GLN A 39 -22.260 10.660 -9.297 1.00 2.56 H ATOM 1612 HE22 GLN A 39 -21.636 12.145 -9.835 1.00 2.27 H ATOM 1613 N VAL A 40 -19.014 5.585 -7.247 1.00 0.57 N ATOM 1614 CA VAL A 40 -20.043 4.634 -6.738 1.00 0.65 C ATOM 1615 C VAL A 40 -19.488 3.906 -5.514 1.00 0.63 C ATOM 1616 O VAL A 40 -18.295 3.720 -5.376 1.00 0.60 O ATOM 1617 CB VAL A 40 -20.392 3.602 -7.803 1.00 0.72 C ATOM 1618 CG1 VAL A 40 -21.149 4.277 -8.946 1.00 0.77 C ATOM 1619 CG2 VAL A 40 -19.114 2.938 -8.328 1.00 0.69 C ATOM 1620 H VAL A 40 -18.074 5.340 -7.195 1.00 0.54 H ATOM 1621 HA VAL A 40 -20.933 5.173 -6.453 1.00 0.71 H ATOM 1622 HB VAL A 40 -21.019 2.855 -7.359 1.00 0.79 H ATOM 1623 HG11 VAL A 40 -20.570 5.101 -9.326 1.00 1.42 H ATOM 1624 HG12 VAL A 40 -21.323 3.562 -9.736 1.00 1.27 H ATOM 1625 HG13 VAL A 40 -22.097 4.644 -8.580 1.00 1.14 H ATOM 1626 HG21 VAL A 40 -18.344 3.679 -8.460 1.00 1.29 H ATOM 1627 HG22 VAL A 40 -18.782 2.198 -7.616 1.00 1.13 H ATOM 1628 HG23 VAL A 40 -19.318 2.458 -9.273 1.00 1.22 H ATOM 1629 N ASN A 41 -20.346 3.476 -4.635 1.00 0.65 N ATOM 1630 CA ASN A 41 -19.874 2.737 -3.426 1.00 0.64 C ATOM 1631 C ASN A 41 -19.702 1.261 -3.807 1.00 0.66 C ATOM 1632 O ASN A 41 -20.486 0.726 -4.565 1.00 0.71 O ATOM 1633 CB ASN A 41 -20.912 2.872 -2.306 1.00 0.66 C ATOM 1634 CG ASN A 41 -22.223 2.209 -2.728 1.00 0.70 C ATOM 1635 OD1 ASN A 41 -22.419 1.911 -3.890 1.00 0.98 O ATOM 1636 ND2 ASN A 41 -23.137 1.967 -1.825 1.00 1.06 N ATOM 1637 H ASN A 41 -21.303 3.626 -4.779 1.00 0.68 H ATOM 1638 HA ASN A 41 -18.929 3.150 -3.094 1.00 0.63 H ATOM 1639 HB2 ASN A 41 -20.540 2.395 -1.412 1.00 0.69 H ATOM 1640 HB3 ASN A 41 -21.090 3.918 -2.107 1.00 0.67 H ATOM 1641 HD21 ASN A 41 -22.978 2.211 -0.888 1.00 1.50 H ATOM 1642 HD22 ASN A 41 -23.982 1.542 -2.082 1.00 1.12 H ATOM 1643 N ARG A 42 -18.667 0.603 -3.326 1.00 0.68 N ATOM 1644 CA ARG A 42 -18.426 -0.835 -3.704 1.00 0.72 C ATOM 1645 C ARG A 42 -18.345 -1.725 -2.437 1.00 0.68 C ATOM 1646 O ARG A 42 -17.929 -1.265 -1.391 1.00 0.71 O ATOM 1647 CB ARG A 42 -17.084 -0.900 -4.459 1.00 0.82 C ATOM 1648 CG ARG A 42 -15.944 -0.514 -3.508 1.00 1.54 C ATOM 1649 CD ARG A 42 -14.618 -0.474 -4.265 1.00 2.19 C ATOM 1650 NE ARG A 42 -14.212 -1.885 -4.555 1.00 3.16 N ATOM 1651 CZ ARG A 42 -13.052 -2.153 -5.082 1.00 3.97 C ATOM 1652 NH1 ARG A 42 -12.172 -1.203 -5.233 1.00 4.14 N ATOM 1653 NH2 ARG A 42 -12.756 -3.378 -5.421 1.00 4.99 N ATOM 1654 H ARG A 42 -18.021 1.055 -2.744 1.00 0.73 H ATOM 1655 HA ARG A 42 -19.218 -1.179 -4.351 1.00 0.76 H ATOM 1656 HB2 ARG A 42 -16.919 -1.898 -4.831 1.00 1.23 H ATOM 1657 HB3 ARG A 42 -17.105 -0.208 -5.289 1.00 1.47 H ATOM 1658 HG2 ARG A 42 -16.143 0.458 -3.082 1.00 2.17 H ATOM 1659 HG3 ARG A 42 -15.869 -1.243 -2.715 1.00 2.06 H ATOM 1660 HD2 ARG A 42 -14.732 0.045 -5.190 1.00 2.40 H ATOM 1661 HD3 ARG A 42 -13.878 0.049 -3.660 1.00 2.58 H ATOM 1662 HE ARG A 42 -14.845 -2.613 -4.384 1.00 3.52 H ATOM 1663 HH11 ARG A 42 -12.389 -0.270 -4.946 1.00 3.69 H ATOM 1664 HH12 ARG A 42 -11.276 -1.409 -5.627 1.00 4.99 H ATOM 1665 HH21 ARG A 42 -13.421 -4.111 -5.279 1.00 5.24 H ATOM 1666 HH22 ARG A 42 -11.862 -3.585 -5.819 1.00 5.70 H ATOM 1667 N PRO A 43 -18.717 -2.996 -2.524 1.00 0.68 N ATOM 1668 CA PRO A 43 -18.641 -3.915 -1.342 1.00 0.70 C ATOM 1669 C PRO A 43 -17.219 -4.034 -0.755 1.00 0.68 C ATOM 1670 O PRO A 43 -16.230 -3.832 -1.431 1.00 0.97 O ATOM 1671 CB PRO A 43 -19.133 -5.259 -1.918 1.00 0.80 C ATOM 1672 CG PRO A 43 -19.269 -5.107 -3.444 1.00 0.85 C ATOM 1673 CD PRO A 43 -19.245 -3.608 -3.781 1.00 0.76 C ATOM 1674 HA PRO A 43 -19.322 -3.579 -0.576 1.00 0.72 H ATOM 1675 HB2 PRO A 43 -18.427 -6.047 -1.685 1.00 0.86 H ATOM 1676 HB3 PRO A 43 -20.098 -5.509 -1.494 1.00 0.98 H ATOM 1677 HG2 PRO A 43 -18.441 -5.607 -3.935 1.00 0.98 H ATOM 1678 HG3 PRO A 43 -20.202 -5.541 -3.779 1.00 1.03 H ATOM 1679 HD2 PRO A 43 -18.592 -3.416 -4.618 1.00 0.80 H ATOM 1680 HD3 PRO A 43 -20.242 -3.243 -3.981 1.00 0.79 H ATOM 1681 N LEU A 44 -17.136 -4.333 0.514 1.00 0.60 N ATOM 1682 CA LEU A 44 -15.817 -4.447 1.213 1.00 0.59 C ATOM 1683 C LEU A 44 -15.088 -5.757 0.870 1.00 0.61 C ATOM 1684 O LEU A 44 -14.206 -6.178 1.592 1.00 0.68 O ATOM 1685 CB LEU A 44 -16.082 -4.423 2.725 1.00 0.65 C ATOM 1686 CG LEU A 44 -16.374 -2.985 3.177 1.00 0.66 C ATOM 1687 CD1 LEU A 44 -17.702 -2.505 2.570 1.00 0.76 C ATOM 1688 CD2 LEU A 44 -16.454 -2.920 4.716 1.00 0.79 C ATOM 1689 H LEU A 44 -17.961 -4.465 1.029 1.00 0.77 H ATOM 1690 HA LEU A 44 -15.196 -3.600 0.961 1.00 0.57 H ATOM 1691 HB2 LEU A 44 -16.930 -5.053 2.951 1.00 0.71 H ATOM 1692 HB3 LEU A 44 -15.212 -4.792 3.250 1.00 0.71 H ATOM 1693 HG LEU A 44 -15.579 -2.344 2.828 1.00 0.80 H ATOM 1694 HD11 LEU A 44 -18.430 -3.302 2.607 1.00 1.29 H ATOM 1695 HD12 LEU A 44 -18.070 -1.658 3.131 1.00 1.25 H ATOM 1696 HD13 LEU A 44 -17.542 -2.210 1.544 1.00 1.30 H ATOM 1697 HD21 LEU A 44 -15.742 -3.605 5.154 1.00 1.23 H ATOM 1698 HD22 LEU A 44 -16.228 -1.915 5.043 1.00 1.34 H ATOM 1699 HD23 LEU A 44 -17.450 -3.185 5.042 1.00 1.35 H ATOM 1700 N THR A 45 -15.441 -6.419 -0.193 1.00 0.73 N ATOM 1701 CA THR A 45 -14.746 -7.706 -0.509 1.00 0.79 C ATOM 1702 C THR A 45 -13.304 -7.423 -0.941 1.00 0.71 C ATOM 1703 O THR A 45 -12.494 -8.321 -1.059 1.00 0.73 O ATOM 1704 CB THR A 45 -15.469 -8.442 -1.650 1.00 0.97 C ATOM 1705 OG1 THR A 45 -15.190 -7.777 -2.873 1.00 1.55 O ATOM 1706 CG2 THR A 45 -16.999 -8.472 -1.425 1.00 1.83 C ATOM 1707 H THR A 45 -16.163 -6.083 -0.765 1.00 0.87 H ATOM 1708 HA THR A 45 -14.738 -8.329 0.372 1.00 0.84 H ATOM 1709 HB THR A 45 -15.094 -9.455 -1.706 1.00 1.23 H ATOM 1710 HG1 THR A 45 -14.297 -8.012 -3.140 1.00 1.98 H ATOM 1711 HG21 THR A 45 -17.271 -7.864 -0.575 1.00 2.31 H ATOM 1712 HG22 THR A 45 -17.490 -8.090 -2.307 1.00 2.35 H ATOM 1713 HG23 THR A 45 -17.325 -9.489 -1.252 1.00 2.30 H ATOM 1714 N MET A 46 -12.983 -6.186 -1.202 1.00 0.67 N ATOM 1715 CA MET A 46 -11.594 -5.845 -1.656 1.00 0.72 C ATOM 1716 C MET A 46 -10.722 -5.488 -0.446 1.00 0.70 C ATOM 1717 O MET A 46 -9.527 -5.300 -0.556 1.00 0.86 O ATOM 1718 CB MET A 46 -11.687 -4.626 -2.594 1.00 0.83 C ATOM 1719 CG MET A 46 -10.357 -4.391 -3.353 1.00 0.90 C ATOM 1720 SD MET A 46 -10.473 -5.079 -5.030 1.00 1.10 S ATOM 1721 CE MET A 46 -9.545 -3.781 -5.890 1.00 0.55 C ATOM 1722 H MET A 46 -13.665 -5.476 -1.117 1.00 0.67 H ATOM 1723 HA MET A 46 -11.161 -6.679 -2.189 1.00 0.80 H ATOM 1724 HB2 MET A 46 -12.482 -4.792 -3.307 1.00 1.21 H ATOM 1725 HB3 MET A 46 -11.923 -3.751 -2.004 1.00 1.36 H ATOM 1726 HG2 MET A 46 -10.164 -3.328 -3.418 1.00 1.67 H ATOM 1727 HG3 MET A 46 -9.542 -4.865 -2.830 1.00 1.59 H ATOM 1728 HE1 MET A 46 -10.037 -2.830 -5.740 1.00 1.15 H ATOM 1729 HE2 MET A 46 -8.538 -3.737 -5.498 1.00 1.22 H ATOM 1730 HE3 MET A 46 -9.508 -4.000 -6.946 1.00 1.12 H ATOM 1731 N ARG A 47 -11.323 -5.337 0.701 1.00 0.67 N ATOM 1732 CA ARG A 47 -10.548 -4.922 1.914 1.00 0.78 C ATOM 1733 C ARG A 47 -9.866 -6.070 2.661 1.00 0.63 C ATOM 1734 O ARG A 47 -10.341 -7.187 2.737 1.00 0.60 O ATOM 1735 CB ARG A 47 -11.506 -4.170 2.873 1.00 1.00 C ATOM 1736 CG ARG A 47 -11.147 -2.664 2.944 1.00 1.50 C ATOM 1737 CD ARG A 47 -12.395 -1.790 3.053 1.00 2.16 C ATOM 1738 NE ARG A 47 -12.483 -1.283 4.463 1.00 3.26 N ATOM 1739 CZ ARG A 47 -12.750 -2.093 5.445 1.00 4.20 C ATOM 1740 NH1 ARG A 47 -13.359 -3.223 5.215 1.00 4.42 N ATOM 1741 NH2 ARG A 47 -12.496 -1.738 6.668 1.00 5.27 N ATOM 1742 H ARG A 47 -12.294 -5.459 0.756 1.00 0.69 H ATOM 1743 HA ARG A 47 -9.765 -4.255 1.594 1.00 0.95 H ATOM 1744 HB2 ARG A 47 -12.508 -4.292 2.508 1.00 1.25 H ATOM 1745 HB3 ARG A 47 -11.448 -4.589 3.872 1.00 1.71 H ATOM 1746 HG2 ARG A 47 -10.525 -2.489 3.812 1.00 2.19 H ATOM 1747 HG3 ARG A 47 -10.595 -2.368 2.062 1.00 1.79 H ATOM 1748 HD2 ARG A 47 -12.274 -0.964 2.411 1.00 2.14 H ATOM 1749 HD3 ARG A 47 -13.283 -2.335 2.738 1.00 2.59 H ATOM 1750 HE ARG A 47 -12.204 -0.364 4.660 1.00 3.58 H ATOM 1751 HH11 ARG A 47 -13.625 -3.468 4.283 1.00 3.89 H ATOM 1752 HH12 ARG A 47 -13.571 -3.839 5.974 1.00 5.34 H ATOM 1753 HH21 ARG A 47 -12.103 -0.847 6.849 1.00 5.46 H ATOM 1754 HH22 ARG A 47 -12.683 -2.366 7.422 1.00 6.05 H ATOM 1755 N LYS A 48 -8.752 -5.724 3.252 1.00 0.63 N ATOM 1756 CA LYS A 48 -7.950 -6.664 4.078 1.00 0.64 C ATOM 1757 C LYS A 48 -7.655 -5.968 5.408 1.00 0.64 C ATOM 1758 O LYS A 48 -7.726 -4.758 5.509 1.00 0.79 O ATOM 1759 CB LYS A 48 -6.629 -6.965 3.379 1.00 0.76 C ATOM 1760 CG LYS A 48 -6.869 -7.863 2.169 1.00 1.34 C ATOM 1761 CD LYS A 48 -5.543 -8.057 1.426 1.00 1.52 C ATOM 1762 CE LYS A 48 -5.659 -9.213 0.421 1.00 2.15 C ATOM 1763 NZ LYS A 48 -5.259 -10.481 1.094 1.00 2.88 N ATOM 1764 H LYS A 48 -8.444 -4.799 3.155 1.00 0.68 H ATOM 1765 HA LYS A 48 -8.499 -7.579 4.253 1.00 0.68 H ATOM 1766 HB2 LYS A 48 -6.178 -6.039 3.055 1.00 1.18 H ATOM 1767 HB3 LYS A 48 -5.966 -7.465 4.069 1.00 1.27 H ATOM 1768 HG2 LYS A 48 -7.245 -8.820 2.500 1.00 2.06 H ATOM 1769 HG3 LYS A 48 -7.587 -7.399 1.509 1.00 1.85 H ATOM 1770 HD2 LYS A 48 -5.299 -7.147 0.902 1.00 1.72 H ATOM 1771 HD3 LYS A 48 -4.761 -8.280 2.137 1.00 2.11 H ATOM 1772 HE2 LYS A 48 -6.676 -9.295 0.064 1.00 2.61 H ATOM 1773 HE3 LYS A 48 -5.000 -9.031 -0.415 1.00 2.48 H ATOM 1774 HZ1 LYS A 48 -4.954 -10.273 2.067 1.00 3.28 H ATOM 1775 HZ2 LYS A 48 -6.067 -11.135 1.115 1.00 3.16 H ATOM 1776 HZ3 LYS A 48 -4.475 -10.917 0.571 1.00 3.35 H ATOM 1777 N ASP A 49 -7.324 -6.703 6.428 1.00 0.68 N ATOM 1778 CA ASP A 49 -7.028 -6.053 7.736 1.00 0.72 C ATOM 1779 C ASP A 49 -5.868 -5.065 7.566 1.00 0.67 C ATOM 1780 O ASP A 49 -6.061 -3.864 7.542 1.00 1.14 O ATOM 1781 CB ASP A 49 -6.636 -7.125 8.756 1.00 0.87 C ATOM 1782 CG ASP A 49 -7.850 -8.009 9.054 1.00 1.75 C ATOM 1783 OD1 ASP A 49 -8.840 -7.482 9.536 1.00 2.42 O ATOM 1784 OD2 ASP A 49 -7.773 -9.196 8.785 1.00 2.50 O ATOM 1785 H ASP A 49 -7.270 -7.678 6.339 1.00 0.81 H ATOM 1786 HA ASP A 49 -7.896 -5.520 8.092 1.00 0.76 H ATOM 1787 HB2 ASP A 49 -5.838 -7.731 8.350 1.00 1.24 H ATOM 1788 HB3 ASP A 49 -6.302 -6.652 9.668 1.00 1.28 H ATOM 1789 N GLY A 50 -4.665 -5.558 7.466 1.00 0.71 N ATOM 1790 CA GLY A 50 -3.491 -4.645 7.320 1.00 0.61 C ATOM 1791 C GLY A 50 -3.468 -4.028 5.919 1.00 0.51 C ATOM 1792 O GLY A 50 -4.367 -4.221 5.126 1.00 0.54 O ATOM 1793 H GLY A 50 -4.530 -6.527 7.512 1.00 1.16 H ATOM 1794 HA2 GLY A 50 -3.559 -3.859 8.058 1.00 0.60 H ATOM 1795 HA3 GLY A 50 -2.580 -5.204 7.477 1.00 0.69 H ATOM 1796 N ILE A 51 -2.430 -3.294 5.609 1.00 0.42 N ATOM 1797 CA ILE A 51 -2.314 -2.665 4.264 1.00 0.37 C ATOM 1798 C ILE A 51 -1.546 -3.606 3.331 1.00 0.38 C ATOM 1799 O ILE A 51 -0.598 -4.255 3.726 1.00 0.42 O ATOM 1800 CB ILE A 51 -1.570 -1.336 4.394 1.00 0.33 C ATOM 1801 CG1 ILE A 51 -2.308 -0.470 5.417 1.00 0.36 C ATOM 1802 CG2 ILE A 51 -1.534 -0.612 3.041 1.00 0.40 C ATOM 1803 CD1 ILE A 51 -1.717 0.938 5.430 1.00 0.32 C ATOM 1804 H ILE A 51 -1.709 -3.172 6.260 1.00 0.43 H ATOM 1805 HA ILE A 51 -3.299 -2.476 3.862 1.00 0.41 H ATOM 1806 HB ILE A 51 -0.561 -1.518 4.734 1.00 0.38 H ATOM 1807 HG12 ILE A 51 -3.354 -0.418 5.153 1.00 0.48 H ATOM 1808 HG13 ILE A 51 -2.206 -0.909 6.397 1.00 0.48 H ATOM 1809 HG21 ILE A 51 -1.257 -1.302 2.261 1.00 1.10 H ATOM 1810 HG22 ILE A 51 -2.510 -0.200 2.828 1.00 1.09 H ATOM 1811 HG23 ILE A 51 -0.809 0.186 3.084 1.00 1.12 H ATOM 1812 HD11 ILE A 51 -0.639 0.878 5.396 1.00 1.07 H ATOM 1813 HD12 ILE A 51 -2.075 1.482 4.570 1.00 1.09 H ATOM 1814 HD13 ILE A 51 -2.023 1.446 6.330 1.00 1.05 H ATOM 1815 N GLN A 52 -1.937 -3.667 2.089 1.00 0.40 N ATOM 1816 CA GLN A 52 -1.212 -4.543 1.127 1.00 0.45 C ATOM 1817 C GLN A 52 0.089 -3.847 0.723 1.00 0.42 C ATOM 1818 O GLN A 52 0.174 -2.638 0.723 1.00 0.40 O ATOM 1819 CB GLN A 52 -2.070 -4.779 -0.121 1.00 0.51 C ATOM 1820 CG GLN A 52 -3.264 -5.670 0.223 1.00 1.02 C ATOM 1821 CD GLN A 52 -4.227 -5.696 -0.968 1.00 1.31 C ATOM 1822 OE1 GLN A 52 -4.728 -6.739 -1.337 1.00 1.95 O ATOM 1823 NE2 GLN A 52 -4.507 -4.582 -1.588 1.00 1.22 N ATOM 1824 H GLN A 52 -2.688 -3.110 1.796 1.00 0.42 H ATOM 1825 HA GLN A 52 -0.987 -5.491 1.598 1.00 0.49 H ATOM 1826 HB2 GLN A 52 -2.431 -3.832 -0.494 1.00 0.79 H ATOM 1827 HB3 GLN A 52 -1.474 -5.259 -0.882 1.00 0.68 H ATOM 1828 HG2 GLN A 52 -2.920 -6.675 0.434 1.00 1.41 H ATOM 1829 HG3 GLN A 52 -3.774 -5.275 1.088 1.00 1.48 H ATOM 1830 HE21 GLN A 52 -4.102 -3.739 -1.291 1.00 1.05 H ATOM 1831 HE22 GLN A 52 -5.121 -4.587 -2.351 1.00 1.59 H ATOM 1832 N THR A 53 1.112 -4.593 0.395 1.00 0.45 N ATOM 1833 CA THR A 53 2.411 -3.961 -0.008 1.00 0.44 C ATOM 1834 C THR A 53 2.926 -4.635 -1.276 1.00 0.47 C ATOM 1835 O THR A 53 2.475 -5.696 -1.662 1.00 0.49 O ATOM 1836 CB THR A 53 3.439 -4.105 1.116 1.00 0.46 C ATOM 1837 OG1 THR A 53 4.746 -4.146 0.560 1.00 0.50 O ATOM 1838 CG2 THR A 53 3.169 -5.391 1.888 1.00 0.49 C ATOM 1839 H THR A 53 1.031 -5.569 0.429 1.00 0.48 H ATOM 1840 HA THR A 53 2.260 -2.915 -0.232 1.00 0.42 H ATOM 1841 HB THR A 53 3.360 -3.264 1.788 1.00 0.46 H ATOM 1842 HG1 THR A 53 5.266 -3.452 0.972 1.00 1.04 H ATOM 1843 HG21 THR A 53 3.120 -6.218 1.197 1.00 1.09 H ATOM 1844 HG22 THR A 53 3.964 -5.557 2.598 1.00 1.25 H ATOM 1845 HG23 THR A 53 2.228 -5.302 2.412 1.00 1.02 H ATOM 1846 N ARG A 54 3.854 -4.003 -1.943 1.00 0.47 N ATOM 1847 CA ARG A 54 4.391 -4.578 -3.210 1.00 0.50 C ATOM 1848 C ARG A 54 5.848 -4.152 -3.400 1.00 0.50 C ATOM 1849 O ARG A 54 6.293 -3.168 -2.844 1.00 0.49 O ATOM 1850 CB ARG A 54 3.549 -4.046 -4.383 1.00 0.52 C ATOM 1851 CG ARG A 54 3.703 -4.958 -5.618 1.00 1.25 C ATOM 1852 CD ARG A 54 2.602 -6.028 -5.637 1.00 1.35 C ATOM 1853 NE ARG A 54 3.122 -7.251 -6.310 1.00 1.78 N ATOM 1854 CZ ARG A 54 2.445 -8.360 -6.251 1.00 2.17 C ATOM 1855 NH1 ARG A 54 1.268 -8.378 -5.683 1.00 2.50 N ATOM 1856 NH2 ARG A 54 2.933 -9.448 -6.775 1.00 2.89 N ATOM 1857 H ARG A 54 4.179 -3.141 -1.609 1.00 0.47 H ATOM 1858 HA ARG A 54 4.331 -5.654 -3.169 1.00 0.52 H ATOM 1859 HB2 ARG A 54 2.512 -4.008 -4.084 1.00 0.92 H ATOM 1860 HB3 ARG A 54 3.877 -3.046 -4.637 1.00 1.04 H ATOM 1861 HG2 ARG A 54 3.628 -4.358 -6.514 1.00 1.93 H ATOM 1862 HG3 ARG A 54 4.669 -5.442 -5.597 1.00 2.03 H ATOM 1863 HD2 ARG A 54 2.312 -6.278 -4.627 1.00 1.84 H ATOM 1864 HD3 ARG A 54 1.741 -5.647 -6.171 1.00 1.81 H ATOM 1865 HE ARG A 54 3.988 -7.229 -6.772 1.00 2.32 H ATOM 1866 HH11 ARG A 54 0.888 -7.539 -5.292 1.00 2.47 H ATOM 1867 HH12 ARG A 54 0.747 -9.230 -5.640 1.00 3.17 H ATOM 1868 HH21 ARG A 54 3.829 -9.431 -7.221 1.00 3.26 H ATOM 1869 HH22 ARG A 54 2.413 -10.300 -6.732 1.00 3.34 H ATOM 1870 N ASN A 55 6.588 -4.869 -4.204 1.00 0.54 N ATOM 1871 CA ASN A 55 8.001 -4.473 -4.446 1.00 0.55 C ATOM 1872 C ASN A 55 7.991 -3.044 -4.995 1.00 0.54 C ATOM 1873 O ASN A 55 7.239 -2.723 -5.893 1.00 0.56 O ATOM 1874 CB ASN A 55 8.641 -5.436 -5.483 1.00 0.60 C ATOM 1875 CG ASN A 55 9.593 -6.438 -4.804 1.00 1.38 C ATOM 1876 OD1 ASN A 55 9.879 -6.339 -3.625 1.00 2.16 O ATOM 1877 ND2 ASN A 55 10.108 -7.404 -5.521 1.00 2.07 N ATOM 1878 H ASN A 55 6.208 -5.650 -4.660 1.00 0.58 H ATOM 1879 HA ASN A 55 8.549 -4.491 -3.518 1.00 0.55 H ATOM 1880 HB2 ASN A 55 7.854 -5.985 -5.981 1.00 1.14 H ATOM 1881 HB3 ASN A 55 9.194 -4.871 -6.223 1.00 1.06 H ATOM 1882 HD21 ASN A 55 9.882 -7.478 -6.472 1.00 2.27 H ATOM 1883 HD22 ASN A 55 10.722 -8.051 -5.112 1.00 2.76 H ATOM 1884 N ARG A 56 8.814 -2.184 -4.469 1.00 0.55 N ATOM 1885 CA ARG A 56 8.830 -0.790 -4.983 1.00 0.60 C ATOM 1886 C ARG A 56 9.139 -0.812 -6.475 1.00 0.62 C ATOM 1887 O ARG A 56 10.123 -1.381 -6.904 1.00 0.63 O ATOM 1888 CB ARG A 56 9.911 0.018 -4.261 1.00 0.65 C ATOM 1889 CG ARG A 56 9.489 0.259 -2.812 1.00 1.04 C ATOM 1890 CD ARG A 56 10.474 1.221 -2.146 1.00 1.05 C ATOM 1891 NE ARG A 56 10.248 1.224 -0.674 1.00 1.73 N ATOM 1892 CZ ARG A 56 11.157 1.713 0.124 1.00 2.30 C ATOM 1893 NH1 ARG A 56 12.259 2.210 -0.368 1.00 2.62 N ATOM 1894 NH2 ARG A 56 10.962 1.707 1.414 1.00 3.08 N ATOM 1895 H ARG A 56 9.417 -2.454 -3.745 1.00 0.55 H ATOM 1896 HA ARG A 56 7.870 -0.324 -4.813 1.00 0.63 H ATOM 1897 HB2 ARG A 56 10.842 -0.532 -4.278 1.00 1.04 H ATOM 1898 HB3 ARG A 56 10.045 0.967 -4.759 1.00 1.18 H ATOM 1899 HG2 ARG A 56 8.501 0.689 -2.795 1.00 1.78 H ATOM 1900 HG3 ARG A 56 9.484 -0.677 -2.275 1.00 1.80 H ATOM 1901 HD2 ARG A 56 11.484 0.904 -2.358 1.00 1.57 H ATOM 1902 HD3 ARG A 56 10.320 2.218 -2.533 1.00 1.52 H ATOM 1903 HE ARG A 56 9.417 0.858 -0.305 1.00 2.22 H ATOM 1904 HH11 ARG A 56 12.407 2.218 -1.357 1.00 2.54 H ATOM 1905 HH12 ARG A 56 12.955 2.585 0.245 1.00 3.29 H ATOM 1906 HH21 ARG A 56 10.117 1.328 1.791 1.00 3.43 H ATOM 1907 HH22 ARG A 56 11.659 2.081 2.026 1.00 3.57 H ATOM 1908 N LYS A 57 8.320 -0.187 -7.272 1.00 0.69 N ATOM 1909 CA LYS A 57 8.594 -0.170 -8.730 1.00 0.80 C ATOM 1910 C LYS A 57 10.008 0.354 -8.945 1.00 0.72 C ATOM 1911 O LYS A 57 10.688 0.697 -7.997 1.00 0.77 O ATOM 1912 CB LYS A 57 7.591 0.730 -9.430 1.00 1.02 C ATOM 1913 CG LYS A 57 7.626 2.114 -8.810 1.00 0.86 C ATOM 1914 CD LYS A 57 6.601 2.985 -9.527 1.00 0.93 C ATOM 1915 CE LYS A 57 6.388 4.278 -8.744 1.00 0.75 C ATOM 1916 NZ LYS A 57 5.492 5.187 -9.514 1.00 1.24 N ATOM 1917 H LYS A 57 7.534 0.276 -6.913 1.00 0.71 H ATOM 1918 HA LYS A 57 8.511 -1.157 -9.125 1.00 0.90 H ATOM 1919 HB2 LYS A 57 7.838 0.799 -10.479 1.00 1.58 H ATOM 1920 HB3 LYS A 57 6.599 0.318 -9.317 1.00 1.67 H ATOM 1921 HG2 LYS A 57 7.381 2.044 -7.760 1.00 1.50 H ATOM 1922 HG3 LYS A 57 8.610 2.539 -8.930 1.00 1.36 H ATOM 1923 HD2 LYS A 57 6.963 3.212 -10.519 1.00 1.27 H ATOM 1924 HD3 LYS A 57 5.666 2.449 -9.599 1.00 1.47 H ATOM 1925 HE2 LYS A 57 5.935 4.046 -7.792 1.00 1.30 H ATOM 1926 HE3 LYS A 57 7.339 4.761 -8.583 1.00 1.23 H ATOM 1927 HZ1 LYS A 57 4.602 4.696 -9.734 1.00 1.72 H ATOM 1928 HZ2 LYS A 57 5.289 6.036 -8.946 1.00 1.65 H ATOM 1929 HZ3 LYS A 57 5.960 5.465 -10.399 1.00 1.85 H ATOM 1930 N VAL A 58 10.466 0.431 -10.168 1.00 0.70 N ATOM 1931 CA VAL A 58 11.843 0.954 -10.403 1.00 0.71 C ATOM 1932 C VAL A 58 12.003 2.236 -9.583 1.00 0.68 C ATOM 1933 O VAL A 58 11.047 2.953 -9.364 1.00 0.83 O ATOM 1934 CB VAL A 58 12.027 1.254 -11.895 1.00 0.83 C ATOM 1935 CG1 VAL A 58 10.806 2.009 -12.416 1.00 1.61 C ATOM 1936 CG2 VAL A 58 13.286 2.108 -12.108 1.00 1.77 C ATOM 1937 H VAL A 58 9.906 0.158 -10.924 1.00 0.75 H ATOM 1938 HA VAL A 58 12.569 0.215 -10.091 1.00 0.79 H ATOM 1939 HB VAL A 58 12.125 0.323 -12.436 1.00 1.32 H ATOM 1940 HG11 VAL A 58 10.608 2.857 -11.779 1.00 2.18 H ATOM 1941 HG12 VAL A 58 11.001 2.350 -13.421 1.00 2.12 H ATOM 1942 HG13 VAL A 58 9.948 1.351 -12.419 1.00 2.16 H ATOM 1943 HG21 VAL A 58 14.099 1.706 -11.520 1.00 2.31 H ATOM 1944 HG22 VAL A 58 13.560 2.099 -13.153 1.00 2.31 H ATOM 1945 HG23 VAL A 58 13.088 3.123 -11.797 1.00 2.32 H ATOM 1946 N SER A 59 13.174 2.529 -9.109 1.00 0.80 N ATOM 1947 CA SER A 59 13.324 3.764 -8.297 1.00 0.95 C ATOM 1948 C SER A 59 13.090 4.993 -9.175 1.00 1.11 C ATOM 1949 O SER A 59 13.697 6.027 -8.976 1.00 1.42 O ATOM 1950 CB SER A 59 14.712 3.833 -7.664 1.00 1.34 C ATOM 1951 OG SER A 59 15.676 4.137 -8.664 1.00 2.11 O ATOM 1952 H SER A 59 13.935 1.937 -9.278 1.00 0.98 H ATOM 1953 HA SER A 59 12.581 3.754 -7.511 1.00 0.96 H ATOM 1954 HB2 SER A 59 14.722 4.608 -6.912 1.00 1.64 H ATOM 1955 HB3 SER A 59 14.940 2.884 -7.198 1.00 1.60 H ATOM 1956 HG SER A 59 16.110 3.319 -8.916 1.00 2.44 H ATOM 1957 N SER A 60 12.186 4.913 -10.125 1.00 1.42 N ATOM 1958 CA SER A 60 11.908 6.106 -10.966 1.00 1.83 C ATOM 1959 C SER A 60 11.528 7.222 -10.003 1.00 2.07 C ATOM 1960 O SER A 60 10.918 6.985 -8.979 1.00 2.55 O ATOM 1961 CB SER A 60 10.763 5.822 -11.938 1.00 2.25 C ATOM 1962 OG SER A 60 10.524 6.981 -12.725 1.00 2.76 O ATOM 1963 H SER A 60 11.682 4.089 -10.262 1.00 1.64 H ATOM 1964 HA SER A 60 12.800 6.376 -11.515 1.00 1.98 H ATOM 1965 HB2 SER A 60 11.035 5.006 -12.587 1.00 2.37 H ATOM 1966 HB3 SER A 60 9.874 5.558 -11.381 1.00 2.41 H ATOM 1967 HG SER A 60 11.212 7.622 -12.527 1.00 3.04 H ATOM 1968 N LYS A 61 11.959 8.410 -10.258 1.00 2.23 N ATOM 1969 CA LYS A 61 11.706 9.500 -9.285 1.00 2.69 C ATOM 1970 C LYS A 61 11.813 10.838 -10.009 1.00 3.22 C ATOM 1971 O LYS A 61 12.282 10.901 -11.130 1.00 3.66 O ATOM 1972 CB LYS A 61 12.858 9.370 -8.264 1.00 3.06 C ATOM 1973 CG LYS A 61 12.677 10.219 -7.009 1.00 3.69 C ATOM 1974 CD LYS A 61 14.013 10.242 -6.193 1.00 4.47 C ATOM 1975 CE LYS A 61 14.499 11.684 -5.899 1.00 5.27 C ATOM 1976 NZ LYS A 61 15.995 11.700 -5.884 1.00 5.94 N ATOM 1977 H LYS A 61 12.514 8.575 -11.050 1.00 2.35 H ATOM 1978 HA LYS A 61 10.749 9.389 -8.802 1.00 2.86 H ATOM 1979 HB2 LYS A 61 12.959 8.335 -7.974 1.00 3.31 H ATOM 1980 HB3 LYS A 61 13.754 9.670 -8.734 1.00 3.30 H ATOM 1981 HG2 LYS A 61 12.376 11.216 -7.275 1.00 3.93 H ATOM 1982 HG3 LYS A 61 11.919 9.761 -6.418 1.00 3.94 H ATOM 1983 HD2 LYS A 61 13.859 9.730 -5.257 1.00 4.76 H ATOM 1984 HD3 LYS A 61 14.789 9.723 -6.736 1.00 4.63 H ATOM 1985 HE2 LYS A 61 14.147 12.368 -6.659 1.00 5.52 H ATOM 1986 HE3 LYS A 61 14.134 12.003 -4.935 1.00 5.53 H ATOM 1987 HZ1 LYS A 61 16.354 10.729 -5.765 1.00 6.28 H ATOM 1988 HZ2 LYS A 61 16.346 12.091 -6.780 1.00 6.22 H ATOM 1989 HZ3 LYS A 61 16.331 12.291 -5.097 1.00 6.13 H ATOM 1990 N GLY A 62 11.483 11.924 -9.360 1.00 3.73 N ATOM 1991 CA GLY A 62 11.695 13.251 -10.012 1.00 4.56 C ATOM 1992 C GLY A 62 13.221 13.448 -10.027 1.00 4.98 C ATOM 1993 O GLY A 62 13.743 14.533 -10.189 1.00 5.52 O ATOM 1994 H GLY A 62 11.172 11.871 -8.431 1.00 3.86 H ATOM 1995 HA2 GLY A 62 11.303 13.236 -11.021 1.00 4.66 H ATOM 1996 HA3 GLY A 62 11.229 14.036 -9.437 1.00 5.13 H ATOM 1997 N LYS A 63 13.899 12.340 -9.830 1.00 5.16 N ATOM 1998 CA LYS A 63 15.377 12.228 -9.773 1.00 5.94 C ATOM 1999 C LYS A 63 16.138 13.529 -9.925 1.00 6.47 C ATOM 2000 O LYS A 63 16.851 13.961 -9.039 1.00 6.92 O ATOM 2001 CB LYS A 63 15.878 11.376 -10.971 1.00 6.22 C ATOM 2002 CG LYS A 63 15.638 9.872 -10.782 1.00 6.54 C ATOM 2003 CD LYS A 63 15.411 9.174 -12.138 1.00 7.16 C ATOM 2004 CE LYS A 63 16.472 9.571 -13.191 1.00 7.63 C ATOM 2005 NZ LYS A 63 15.818 10.406 -14.239 1.00 8.00 N ATOM 2006 H LYS A 63 13.400 11.524 -9.691 1.00 5.05 H ATOM 2007 HA LYS A 63 15.667 11.736 -8.860 1.00 6.28 H ATOM 2008 HB2 LYS A 63 15.378 11.709 -11.865 1.00 6.34 H ATOM 2009 HB3 LYS A 63 16.944 11.541 -11.085 1.00 6.49 H ATOM 2010 HG2 LYS A 63 16.484 9.422 -10.283 1.00 6.58 H ATOM 2011 HG3 LYS A 63 14.777 9.734 -10.194 1.00 6.67 H ATOM 2012 HD2 LYS A 63 15.438 8.106 -11.987 1.00 7.50 H ATOM 2013 HD3 LYS A 63 14.432 9.449 -12.508 1.00 7.27 H ATOM 2014 HE2 LYS A 63 17.276 10.124 -12.739 1.00 7.74 H ATOM 2015 HE3 LYS A 63 16.876 8.682 -13.652 1.00 7.91 H ATOM 2016 HZ1 LYS A 63 15.041 10.953 -13.812 1.00 8.20 H ATOM 2017 HZ2 LYS A 63 16.515 11.056 -14.651 1.00 8.18 H ATOM 2018 HZ3 LYS A 63 15.437 9.790 -14.985 1.00 8.16 H ATOM 2019 N LYS A 64 16.180 13.993 -11.139 1.00 6.72 N ATOM 2020 CA LYS A 64 17.125 15.080 -11.463 1.00 7.46 C ATOM 2021 C LYS A 64 16.604 16.139 -12.442 1.00 7.61 C ATOM 2022 O LYS A 64 15.480 16.599 -12.402 1.00 7.68 O ATOM 2023 CB LYS A 64 18.258 14.299 -12.153 1.00 8.13 C ATOM 2024 CG LYS A 64 19.612 15.008 -12.055 1.00 8.48 C ATOM 2025 CD LYS A 64 20.426 14.677 -13.321 1.00 9.07 C ATOM 2026 CE LYS A 64 20.557 13.145 -13.494 1.00 9.72 C ATOM 2027 NZ LYS A 64 19.462 12.628 -14.373 1.00 10.07 N ATOM 2028 H LYS A 64 15.734 13.505 -11.862 1.00 6.61 H ATOM 2029 HA LYS A 64 17.515 15.550 -10.577 1.00 7.71 H ATOM 2030 HB2 LYS A 64 18.342 13.322 -11.691 1.00 8.22 H ATOM 2031 HB3 LYS A 64 17.991 14.159 -13.194 1.00 8.55 H ATOM 2032 HG2 LYS A 64 19.472 16.077 -11.971 1.00 8.56 H ATOM 2033 HG3 LYS A 64 20.147 14.648 -11.188 1.00 8.52 H ATOM 2034 HD2 LYS A 64 19.916 15.087 -14.183 1.00 9.09 H ATOM 2035 HD3 LYS A 64 21.406 15.118 -13.242 1.00 9.28 H ATOM 2036 HE2 LYS A 64 21.509 12.916 -13.949 1.00 9.87 H ATOM 2037 HE3 LYS A 64 20.499 12.658 -12.530 1.00 10.04 H ATOM 2038 HZ1 LYS A 64 18.778 13.385 -14.567 1.00 10.19 H ATOM 2039 HZ2 LYS A 64 19.867 12.291 -15.271 1.00 10.32 H ATOM 2040 HZ3 LYS A 64 18.978 11.841 -13.896 1.00 10.15 H ATOM 2041 N ARG A 65 17.511 16.517 -13.302 1.00 7.94 N ATOM 2042 CA ARG A 65 17.305 17.544 -14.334 1.00 8.38 C ATOM 2043 C ARG A 65 17.190 18.920 -13.685 1.00 8.71 C ATOM 2044 O ARG A 65 18.130 19.376 -13.057 1.00 8.96 O ATOM 2045 CB ARG A 65 16.140 17.172 -15.293 1.00 9.01 C ATOM 2046 CG ARG A 65 16.675 17.170 -16.745 1.00 9.23 C ATOM 2047 CD ARG A 65 15.601 16.736 -17.727 1.00 9.72 C ATOM 2048 NE ARG A 65 14.426 17.657 -17.556 1.00 10.30 N ATOM 2049 CZ ARG A 65 13.299 17.265 -17.059 1.00 10.79 C ATOM 2050 NH1 ARG A 65 13.131 16.017 -16.707 1.00 10.80 N ATOM 2051 NH2 ARG A 65 12.324 18.116 -16.918 1.00 11.49 N ATOM 2052 H ARG A 65 18.390 16.104 -13.249 1.00 8.09 H ATOM 2053 HA ARG A 65 18.213 17.579 -14.902 1.00 8.32 H ATOM 2054 HB2 ARG A 65 15.776 16.186 -15.047 1.00 9.16 H ATOM 2055 HB3 ARG A 65 15.336 17.878 -15.212 1.00 9.42 H ATOM 2056 HG2 ARG A 65 17.008 18.163 -17.003 1.00 9.28 H ATOM 2057 HG3 ARG A 65 17.510 16.487 -16.813 1.00 9.27 H ATOM 2058 HD2 ARG A 65 15.946 16.871 -18.721 1.00 9.79 H ATOM 2059 HD3 ARG A 65 15.391 15.667 -17.581 1.00 9.83 H ATOM 2060 HE ARG A 65 14.521 18.596 -17.825 1.00 10.47 H ATOM 2061 HH11 ARG A 65 13.874 15.361 -16.820 1.00 10.42 H ATOM 2062 HH12 ARG A 65 12.256 15.718 -16.328 1.00 11.32 H ATOM 2063 HH21 ARG A 65 12.450 19.069 -17.193 1.00 11.64 H ATOM 2064 HH22 ARG A 65 11.451 17.816 -16.537 1.00 11.98 H ATOM 2065 N ARG A 66 16.136 19.632 -13.879 1.00 8.97 N ATOM 2066 CA ARG A 66 16.093 20.995 -13.325 1.00 9.57 C ATOM 2067 C ARG A 66 14.658 21.538 -13.350 1.00 10.22 C ATOM 2068 O ARG A 66 14.353 22.371 -12.515 1.00 10.51 O ATOM 2069 CB ARG A 66 17.015 21.867 -14.202 1.00 9.88 C ATOM 2070 CG ARG A 66 16.921 21.447 -15.710 1.00 9.96 C ATOM 2071 CD ARG A 66 18.217 20.750 -16.182 1.00 10.40 C ATOM 2072 NE ARG A 66 19.406 21.600 -15.846 1.00 10.62 N ATOM 2073 CZ ARG A 66 19.541 22.787 -16.351 1.00 11.09 C ATOM 2074 NH1 ARG A 66 18.718 23.200 -17.278 1.00 11.37 N ATOM 2075 NH2 ARG A 66 20.521 23.550 -15.963 1.00 11.49 N ATOM 2076 OXT ARG A 66 13.892 21.114 -14.202 1.00 10.61 O ATOM 2077 H ARG A 66 15.417 19.306 -14.434 1.00 8.95 H ATOM 2078 HA ARG A 66 16.463 20.988 -12.310 1.00 9.58 H ATOM 2079 HB2 ARG A 66 16.725 22.902 -14.095 1.00 9.98 H ATOM 2080 HB3 ARG A 66 18.034 21.751 -13.859 1.00 10.20 H ATOM 2081 HG2 ARG A 66 16.089 20.773 -15.860 1.00 9.95 H ATOM 2082 HG3 ARG A 66 16.754 22.325 -16.314 1.00 9.99 H ATOM 2083 HD2 ARG A 66 18.341 19.824 -15.676 1.00 10.66 H ATOM 2084 HD3 ARG A 66 18.140 20.550 -17.251 1.00 10.54 H ATOM 2085 HE ARG A 66 20.070 21.271 -15.200 1.00 10.56 H ATOM 2086 HH11 ARG A 66 17.984 22.600 -17.599 1.00 11.23 H ATOM 2087 HH12 ARG A 66 18.819 24.116 -17.664 1.00 11.85 H ATOM 2088 HH21 ARG A 66 21.170 23.221 -15.276 1.00 11.44 H ATOM 2089 HH22 ARG A 66 20.622 24.466 -16.348 1.00 11.97 H TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.011 3.158 2.074 1.00 0.33 ZN CONECT 1120 2091 CONECT 1155 2091 CONECT 1431 2091 CONECT 1465 2091 CONECT 2091 1120 1155 1431 1465 MASTER 246 0 1 2 2 0 1 6 2088 3 5 10 END