USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 139 hydrogens (27 hets) HEADER DNA 20-JAN-12 2LOA TITLE STRUCTURAL BASIS FOR BIFUNCTIONAL ZN(II) MACROCYCLIC COMPLEX TITLE 2 RECOGNITION OF THYMINE BULGES IN DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*GP*CP*AP*GP*TP*GP*C)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS THYMINE BULGE, BIFUNCTIONAL ZN(II) MACROCYCLIC COMPLEX, DNA, CYCLEN EXPDTA SOLUTION NMR AUTHOR J.R.MORROW,M.A.FOUNTAIN,I.A.DEL MUNDO,K.E.SITER REVDAT 2 23-MAY-12 2LOA 1 JRNL REVDAT 1 14-MAR-12 2LOA 0 JRNL AUTH I.M.DEL MUNDO,K.E.SITERS,M.A.FOUNTAIN,J.R.MORROW JRNL TITL STRUCTURAL BASIS FOR BIFUNCTIONAL ZINC(II) MACROCYCLIC JRNL TITL 2 COMPLEX RECOGNITION OF THYMINE BULGES IN DNA. JRNL REF INORG.CHEM. V. 51 5444 2012 JRNL REFN ISSN 0020-1669 JRNL PMID 22507054 JRNL DOI 10.1021/IC3004245 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : HYPERCHEM 6, CYANA 2.1 REMARK 3 AUTHORS : HYPERCUBE, INC (HYPERCHEM), GUNTERT, MUMENTHALER REMARK 3 AND WUTHRICH (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ONE OF THE STRUCTURES FROM PDB 2LO8 WAS REMARK 3 SELECTED AND USED FOR DOCKING OF OF THE ZN(CY4Q), ONE CONFORMER REMARK 3 WAS SELECTED FROM THE THE CYANA CALCULATION ABOVE AND THE REMARK 3 ZN(CY4Q) DOCKED USING ENERGY MINIMIZATION AND DISTANCE RESTRAINTS REMARK 3 OBTAINED FROM NMR DATA. REMARK 4 REMARK 4 2LOA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-12. REMARK 100 THE RCSB ID CODE IS RCSB102628. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293; 278 REMARK 210 PH : 7.5; 7.5 REMARK 210 IONIC STRENGTH : 0.1; 0.1 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 0.6 MM DNA (5'-D(*GP*CP*CP*GP* REMARK 210 CP*AP*GP*TP*GP*C)-3'), 100% D2O; 2.0 MM DNA (5'-D(*GP*CP*CP*GP* REMARK 210 CP*AP*GP*TP*GP*C)-3'), 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.1, SPARKY 3.14 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING, DOCKING WITH ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 N3 DT A 9 ZN ZN A 102 1.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DG A 8 O4' DG A 8 C4' -0.071 REMARK 500 DT A 9 O4' DT A 9 C4' -0.069 REMARK 500 DT A 9 C4 DT A 9 O4 -0.107 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 A 2 O4' - C4' - C3' ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 2 C1' - O4' - C4' ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 2 C6 - N1 - C2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 2 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 2 C5 - C6 - N1 ANGL. DEV. = 5.9 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 5 C1' - O4' - C4' ANGL. DEV. = 4.9 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 5 C6 - N1 - C2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 5 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 5 C5 - C6 - N1 ANGL. DEV. = 5.9 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 7 O4' - C4' - C3' ANGL. DEV. = -5.5 DEGREES REMARK 500 DA A 7 C1' - O4' - C4' ANGL. DEV. = 7.0 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 8 O4' - C4' - C3' ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 8 C6 - N1 - C2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 8 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 8 C5 - C6 - N1 ANGL. DEV. = 5.9 DEGREES REMARK 500 DT A 9 O4' - C4' - C3' ANGL. DEV. = -9.6 DEGREES REMARK 500 DT A 9 C5' - C4' - O4' ANGL. DEV. = 10.8 DEGREES REMARK 500 DT A 9 C1' - O4' - C4' ANGL. DEV. = 6.5 DEGREES REMARK 500 DT A 9 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT A 9 C2 - N3 - C4 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT A 9 N3 - C4 - O4 ANGL. DEV. = -6.8 DEGREES REMARK 500 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 10 C6 - N1 - C2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 10 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 10 C5 - C6 - N1 ANGL. DEV. = 5.8 DEGREES REMARK 500 DC A 11 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES 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 DT A 9 0.06 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 102 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DT A 9 O2 REMARK 620 2 C4Q A 101 N4' 171.4 REMARK 620 3 C4Q A 101 N3' 108.3 64.6 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE C4Q A 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 102 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2LO5 RELATED DB: PDB REMARK 900 RELATED ID: 2LO8 RELATED DB: PDB REMARK 900 RELATED ID: 18199 RELATED DB: BMRB DBREF 2LOA A 2 11 PDB 2LOA 2LOA 2 11 SEQRES 1 A 10 DG DC DC DG DC DA DG DT DG DC HET C4Q A 101 50 HET ZN A 102 1 HETNAM C4Q 4-(1,4,7,10-TETRAAZACYCLODODECAN-1-YLMETHYL)QUINOLINE HETNAM ZN ZINC ION FORMUL 2 C4Q C18 H27 N5 FORMUL 3 ZN ZN 2+ LINK O2 DT A 9 ZN ZN A 102 1555 1555 1.89 LINK N4' C4Q A 101 ZN ZN A 102 1555 1555 2.64 LINK N3' C4Q A 101 ZN ZN A 102 1555 1555 2.67 SITE *** AC1 3 DG A 8 DT A 9 ZN A 102 SITE *** AC2 2 DT A 9 C4Q A 101 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 DG O5' : rot 180:sc= -0.0104 USER MOD Single : A 9 DT C7 :methyl -30:sc= 0 (180deg=-0.927) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 2 8.256 0.118 -6.681 1.00 0.00 O ATOM 2 C5' DG A 2 7.488 -0.435 -7.748 1.00 0.00 C ATOM 3 C4' DG A 2 7.296 0.595 -8.838 1.00 0.00 C ATOM 4 O4' DG A 2 6.562 1.687 -8.340 1.00 0.00 O ATOM 5 C3' DG A 2 8.585 1.265 -9.306 1.00 0.00 C ATOM 6 O3' DG A 2 8.503 1.525 -10.706 1.00 0.00 O ATOM 7 C2' DG A 2 8.681 2.538 -8.513 1.00 0.00 C ATOM 8 C1' DG A 2 7.210 2.935 -8.433 1.00 0.00 C ATOM 9 N9 DG A 2 6.893 3.790 -7.270 1.00 0.00 N ATOM 10 C8 DG A 2 7.237 3.582 -5.982 1.00 0.00 C ATOM 11 N7 DG A 2 6.797 4.541 -5.173 1.00 0.00 N ATOM 12 C5 DG A 2 6.137 5.400 -6.009 1.00 0.00 C ATOM 13 C6 DG A 2 5.452 6.608 -5.758 1.00 0.00 C ATOM 14 O6 DG A 2 5.321 7.136 -4.655 1.00 0.00 O ATOM 15 N1 DG A 2 4.889 7.242 -6.823 1.00 0.00 N ATOM 16 C2 DG A 2 5.017 6.684 -8.047 1.00 0.00 C ATOM 17 N2 DG A 2 4.416 7.420 -8.979 1.00 0.00 N ATOM 18 N3 DG A 2 5.643 5.546 -8.400 1.00 0.00 N ATOM 19 C4 DG A 2 6.183 4.962 -7.295 1.00 0.00 C ATOM 0 H5' DG A 2 6.519 -0.766 -7.375 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.991 -1.313 -8.152 1.00 0.00 H new ATOM 0 H4' DG A 2 6.824 0.034 -9.645 1.00 0.00 H new ATOM 0 H3' DG A 2 9.467 0.644 -9.151 1.00 0.00 H new ATOM 0 H2' DG A 2 9.121 2.380 -7.528 1.00 0.00 H new ATOM 0 H2'' DG A 2 9.286 3.293 -9.015 1.00 0.00 H new ATOM 0 HO5' DG A 2 8.374 -0.556 -5.979 1.00 0.00 H new ATOM 0 H1' DG A 2 6.901 3.539 -9.286 1.00 0.00 H new ATOM 0 H8 DG A 2 7.808 2.729 -5.645 1.00 0.00 H new ATOM 0 H1 DG A 2 4.382 8.118 -6.700 1.00 0.00 H new ATOM 0 H21 DG A 2 4.431 7.120 -9.954 1.00 0.00 H new ATOM 0 H22 DG A 2 3.940 8.284 -8.718 1.00 0.00 H new ATOM 32 P DC A 3 9.837 1.600 -11.586 1.00 0.00 P ATOM 33 OP1 DC A 3 9.918 0.417 -12.471 1.00 0.00 O ATOM 34 OP2 DC A 3 10.997 1.877 -10.709 1.00 0.00 O ATOM 35 O5' DC A 3 9.591 2.888 -12.503 1.00 0.00 O ATOM 36 C5' DC A 3 8.470 2.933 -13.382 1.00 0.00 C ATOM 37 C4' DC A 3 7.956 4.351 -13.496 1.00 0.00 C ATOM 38 O4' DC A 3 7.646 4.869 -12.221 1.00 0.00 O ATOM 39 C3' DC A 3 8.972 5.347 -14.046 1.00 0.00 C ATOM 40 O3' DC A 3 8.334 6.202 -14.992 1.00 0.00 O ATOM 41 C2' DC A 3 9.462 6.116 -12.850 1.00 0.00 C ATOM 42 C1' DC A 3 8.198 6.147 -11.996 1.00 0.00 C ATOM 43 N1 DC A 3 8.463 6.368 -10.558 1.00 0.00 N ATOM 44 C2 DC A 3 7.683 7.313 -9.894 1.00 0.00 C ATOM 45 O2 DC A 3 6.814 7.917 -10.532 1.00 0.00 O ATOM 46 N3 DC A 3 7.906 7.533 -8.585 1.00 0.00 N ATOM 47 C4 DC A 3 8.837 6.879 -7.921 1.00 0.00 C ATOM 48 N4 DC A 3 9.042 7.110 -6.630 1.00 0.00 N ATOM 49 C5 DC A 3 9.659 5.895 -8.586 1.00 0.00 C ATOM 50 C6 DC A 3 9.426 5.687 -9.890 1.00 0.00 C ATOM 0 H5' DC A 3 7.680 2.280 -13.010 1.00 0.00 H new ATOM 0 H5'' DC A 3 8.754 2.561 -14.366 1.00 0.00 H new ATOM 0 H4' DC A 3 7.102 4.261 -14.168 1.00 0.00 H new ATOM 0 H3' DC A 3 9.801 4.865 -14.564 1.00 0.00 H new ATOM 0 H2' DC A 3 10.289 5.615 -12.347 1.00 0.00 H new ATOM 0 H2'' DC A 3 9.808 7.115 -13.114 1.00 0.00 H new ATOM 0 H1' DC A 3 7.542 6.975 -12.266 1.00 0.00 H new ATOM 0 H41 DC A 3 9.766 6.596 -6.129 1.00 0.00 H new ATOM 0 H42 DC A 3 8.475 7.802 -6.139 1.00 0.00 H new ATOM 0 H5 DC A 3 10.427 5.351 -8.057 1.00 0.00 H new ATOM 0 H6 DC A 3 10.021 4.959 -10.421 1.00 0.00 H new ATOM 62 P DC A 4 8.629 6.027 -16.555 1.00 0.00 P ATOM 63 OP1 DC A 4 7.475 6.522 -17.339 1.00 0.00 O ATOM 64 OP2 DC A 4 9.095 4.648 -16.823 1.00 0.00 O ATOM 65 O5' DC A 4 9.858 7.021 -16.803 1.00 0.00 O ATOM 66 C5' DC A 4 9.706 8.418 -16.559 1.00 0.00 C ATOM 67 C4' DC A 4 11.051 9.044 -16.269 1.00 0.00 C ATOM 68 O4' DC A 4 11.257 9.121 -14.870 1.00 0.00 O ATOM 69 C3' DC A 4 12.245 8.233 -16.765 1.00 0.00 C ATOM 70 O3' DC A 4 13.184 9.104 -17.391 1.00 0.00 O ATOM 71 C2' DC A 4 12.824 7.588 -15.536 1.00 0.00 C ATOM 72 C1' DC A 4 12.534 8.660 -14.490 1.00 0.00 C ATOM 73 N1 DC A 4 12.525 8.144 -13.105 1.00 0.00 N ATOM 74 C2 DC A 4 12.153 9.022 -12.088 1.00 0.00 C ATOM 75 O2 DC A 4 11.851 10.182 -12.390 1.00 0.00 O ATOM 76 N3 DC A 4 12.137 8.576 -10.820 1.00 0.00 N ATOM 77 C4 DC A 4 12.462 7.335 -10.516 1.00 0.00 C ATOM 78 N4 DC A 4 12.440 6.914 -9.258 1.00 0.00 N ATOM 79 C5 DC A 4 12.851 6.405 -11.550 1.00 0.00 C ATOM 80 C6 DC A 4 12.863 6.865 -12.810 1.00 0.00 C ATOM 0 H5' DC A 4 9.033 8.577 -15.716 1.00 0.00 H new ATOM 0 H5'' DC A 4 9.251 8.899 -17.425 1.00 0.00 H new ATOM 0 H4' DC A 4 11.010 10.007 -16.778 1.00 0.00 H new ATOM 0 H3' DC A 4 11.970 7.482 -17.505 1.00 0.00 H new ATOM 0 H2' DC A 4 12.342 6.639 -15.301 1.00 0.00 H new ATOM 0 H2'' DC A 4 13.890 7.387 -15.638 1.00 0.00 H new ATOM 0 H1' DC A 4 13.303 9.432 -14.471 1.00 0.00 H new ATOM 0 H41 DC A 4 12.694 5.951 -9.038 1.00 0.00 H new ATOM 0 H42 DC A 4 12.169 7.553 -8.511 1.00 0.00 H new ATOM 0 H5 DC A 4 13.120 5.385 -11.319 1.00 0.00 H new ATOM 0 H6 DC A 4 13.149 6.199 -13.610 1.00 0.00 H new ATOM 92 P DG A 5 14.084 8.573 -18.602 1.00 0.00 P ATOM 93 OP1 DG A 5 13.565 9.107 -19.881 1.00 0.00 O ATOM 94 OP2 DG A 5 14.253 7.107 -18.492 1.00 0.00 O ATOM 95 O5' DG A 5 15.504 9.256 -18.321 1.00 0.00 O ATOM 96 C5' DG A 5 16.292 8.832 -17.210 1.00 0.00 C ATOM 97 C4' DG A 5 16.135 9.803 -16.062 1.00 0.00 C ATOM 98 O4' DG A 5 15.706 9.122 -14.915 1.00 0.00 O ATOM 99 C3' DG A 5 17.441 10.437 -15.590 1.00 0.00 C ATOM 100 O3' DG A 5 17.197 11.785 -15.193 1.00 0.00 O ATOM 101 C2' DG A 5 17.895 9.594 -14.430 1.00 0.00 C ATOM 102 C1' DG A 5 16.554 9.239 -13.795 1.00 0.00 C ATOM 103 N9 DG A 5 16.585 7.983 -13.016 1.00 0.00 N ATOM 104 C8 DG A 5 16.887 6.747 -13.465 1.00 0.00 C ATOM 105 N7 DG A 5 16.825 5.825 -12.510 1.00 0.00 N ATOM 106 C5 DG A 5 16.460 6.530 -11.395 1.00 0.00 C ATOM 107 C6 DG A 5 16.230 6.122 -10.064 1.00 0.00 C ATOM 108 O6 DG A 5 16.325 4.969 -9.646 1.00 0.00 O ATOM 109 N1 DG A 5 15.873 7.081 -9.167 1.00 0.00 N ATOM 110 C2 DG A 5 15.761 8.358 -9.599 1.00 0.00 C ATOM 111 N2 DG A 5 15.407 9.173 -8.608 1.00 0.00 N ATOM 112 N3 DG A 5 15.955 8.857 -10.834 1.00 0.00 N ATOM 113 C4 DG A 5 16.309 7.850 -11.680 1.00 0.00 C ATOM 0 H5' DG A 5 17.340 8.767 -17.501 1.00 0.00 H new ATOM 0 H5'' DG A 5 15.986 7.834 -16.897 1.00 0.00 H new ATOM 0 H4' DG A 5 15.447 10.554 -16.450 1.00 0.00 H new ATOM 0 H3' DG A 5 18.203 10.469 -16.369 1.00 0.00 H new ATOM 0 H2' DG A 5 18.447 8.711 -14.752 1.00 0.00 H new ATOM 0 H2'' DG A 5 18.543 10.144 -13.748 1.00 0.00 H new ATOM 0 H1' DG A 5 16.236 9.985 -13.066 1.00 0.00 H new ATOM 0 H8 DG A 5 17.151 6.530 -14.490 1.00 0.00 H new ATOM 0 H1 DG A 5 15.694 6.842 -8.192 1.00 0.00 H new ATOM 0 H21 DG A 5 15.284 10.170 -8.787 1.00 0.00 H new ATOM 0 H22 DG A 5 15.259 8.801 -7.670 1.00 0.00 H new ATOM 125 P DC A 6 18.416 12.813 -15.064 1.00 0.00 P ATOM 126 OP1 DC A 6 17.893 14.193 -14.952 1.00 0.00 O ATOM 127 OP2 DC A 6 19.410 12.544 -16.126 1.00 0.00 O ATOM 128 O5' DC A 6 19.073 12.418 -13.660 1.00 0.00 O ATOM 129 C5' DC A 6 18.282 12.431 -12.473 1.00 0.00 C ATOM 130 C4' DC A 6 19.164 12.251 -11.258 1.00 0.00 C ATOM 131 O4' DC A 6 19.283 10.868 -10.973 1.00 0.00 O ATOM 132 C3' DC A 6 20.605 12.714 -11.451 1.00 0.00 C ATOM 133 O3' DC A 6 21.010 13.486 -10.323 1.00 0.00 O ATOM 134 C2' DC A 6 21.414 11.453 -11.576 1.00 0.00 C ATOM 135 C1' DC A 6 20.615 10.513 -10.678 1.00 0.00 C ATOM 136 N1 DC A 6 20.860 9.082 -10.957 1.00 0.00 N ATOM 137 C2 DC A 6 21.543 8.342 -9.992 1.00 0.00 C ATOM 138 O2 DC A 6 21.908 8.912 -8.959 1.00 0.00 O ATOM 139 N3 DC A 6 21.778 7.038 -10.223 1.00 0.00 N ATOM 140 C4 DC A 6 21.381 6.446 -11.332 1.00 0.00 C ATOM 141 N4 DC A 6 21.623 5.158 -11.541 1.00 0.00 N ATOM 142 C5 DC A 6 20.671 7.190 -12.347 1.00 0.00 C ATOM 143 C6 DC A 6 20.445 8.489 -12.103 1.00 0.00 C ATOM 0 H5' DC A 6 17.539 11.635 -12.513 1.00 0.00 H new ATOM 0 H5'' DC A 6 17.737 13.372 -12.400 1.00 0.00 H new ATOM 0 H4' DC A 6 18.687 12.844 -10.477 1.00 0.00 H new ATOM 0 H3' DC A 6 20.734 13.346 -12.329 1.00 0.00 H new ATOM 0 H2' DC A 6 21.468 11.096 -12.605 1.00 0.00 H new ATOM 0 H2'' DC A 6 22.439 11.583 -11.230 1.00 0.00 H new ATOM 0 H1' DC A 6 20.887 10.620 -9.628 1.00 0.00 H new ATOM 0 H41 DC A 6 21.310 4.714 -12.404 1.00 0.00 H new ATOM 0 H42 DC A 6 22.122 4.612 -10.839 1.00 0.00 H new ATOM 0 H5 DC A 6 20.337 6.721 -13.261 1.00 0.00 H new ATOM 0 H6 DC A 6 19.918 9.078 -12.839 1.00 0.00 H new ATOM 155 P DA A 7 20.773 15.068 -10.309 1.00 0.00 P ATOM 156 OP1 DA A 7 20.592 15.557 -11.694 1.00 0.00 O ATOM 157 OP2 DA A 7 21.814 15.721 -9.485 1.00 0.00 O ATOM 158 O5' DA A 7 19.374 15.216 -9.546 1.00 0.00 O ATOM 159 C5' DA A 7 19.349 15.373 -8.129 1.00 0.00 C ATOM 160 C4' DA A 7 18.185 16.250 -7.724 1.00 0.00 C ATOM 161 O4' DA A 7 17.032 15.916 -8.460 1.00 0.00 O ATOM 162 C3' DA A 7 17.655 15.985 -6.318 1.00 0.00 C ATOM 163 O3' DA A 7 17.006 17.156 -5.827 1.00 0.00 O ATOM 164 C2' DA A 7 16.691 14.841 -6.467 1.00 0.00 C ATOM 165 C1' DA A 7 16.017 15.206 -7.786 1.00 0.00 C ATOM 166 N9 DA A 7 15.578 14.031 -8.568 1.00 0.00 N ATOM 167 C8 DA A 7 15.225 12.817 -8.096 1.00 0.00 C ATOM 168 N7 DA A 7 14.877 11.973 -9.061 1.00 0.00 N ATOM 169 C5 DA A 7 15.021 12.707 -10.208 1.00 0.00 C ATOM 170 C6 DA A 7 14.807 12.376 -11.563 1.00 0.00 C ATOM 171 N6 DA A 7 14.383 11.163 -12.000 1.00 0.00 N ATOM 172 N1 DA A 7 15.045 13.344 -12.489 1.00 0.00 N ATOM 173 C2 DA A 7 15.468 14.555 -12.062 1.00 0.00 C ATOM 174 N3 DA A 7 15.704 14.978 -10.806 1.00 0.00 N ATOM 175 C4 DA A 7 15.448 13.967 -9.931 1.00 0.00 C ATOM 0 H5' DA A 7 20.284 15.816 -7.788 1.00 0.00 H new ATOM 0 H5'' DA A 7 19.264 14.398 -7.649 1.00 0.00 H new ATOM 0 H4' DA A 7 18.587 17.254 -7.857 1.00 0.00 H new ATOM 0 H3' DA A 7 18.443 15.739 -5.606 1.00 0.00 H new ATOM 0 H2' DA A 7 17.198 13.877 -6.515 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.982 14.788 -5.641 1.00 0.00 H new ATOM 0 H1' DA A 7 15.097 15.771 -7.634 1.00 0.00 H new ATOM 0 H8 DA A 7 15.225 12.559 -7.047 1.00 0.00 H new ATOM 0 H61 DA A 7 14.251 10.998 -12.998 1.00 0.00 H new ATOM 0 H62 DA A 7 14.197 10.416 -11.331 1.00 0.00 H new ATOM 0 H2 DA A 7 15.641 15.286 -12.838 1.00 0.00 H new ATOM 187 P DG A 8 16.554 17.238 -4.295 1.00 0.00 P ATOM 188 OP1 DG A 8 16.580 18.646 -3.842 1.00 0.00 O ATOM 189 OP2 DG A 8 17.315 16.250 -3.497 1.00 0.00 O ATOM 190 O5' DG A 8 15.027 16.762 -4.344 1.00 0.00 O ATOM 191 C5' DG A 8 14.148 17.289 -5.335 1.00 0.00 C ATOM 192 C4' DG A 8 12.863 16.493 -5.366 1.00 0.00 C ATOM 193 O4' DG A 8 13.233 15.195 -5.629 1.00 0.00 O ATOM 194 C3' DG A 8 12.234 16.259 -3.995 1.00 0.00 C ATOM 195 O3' DG A 8 11.299 17.300 -3.718 1.00 0.00 O ATOM 196 C2' DG A 8 11.556 14.921 -4.093 1.00 0.00 C ATOM 197 C1' DG A 8 12.046 14.453 -5.460 1.00 0.00 C ATOM 198 N9 DG A 8 12.309 13.000 -5.527 1.00 0.00 N ATOM 199 C8 DG A 8 12.728 12.197 -4.527 1.00 0.00 C ATOM 200 N7 DG A 8 12.872 10.933 -4.911 1.00 0.00 N ATOM 201 C5 DG A 8 12.520 10.949 -6.234 1.00 0.00 C ATOM 202 C6 DG A 8 12.465 9.921 -7.199 1.00 0.00 C ATOM 203 O6 DG A 8 12.746 8.741 -7.000 1.00 0.00 O ATOM 204 N1 DG A 8 12.068 10.263 -8.455 1.00 0.00 N ATOM 205 C2 DG A 8 11.753 11.554 -8.704 1.00 0.00 C ATOM 206 N2 DG A 8 11.386 11.727 -9.971 1.00 0.00 N ATOM 207 N3 DG A 8 11.769 12.608 -7.867 1.00 0.00 N ATOM 208 C4 DG A 8 12.173 12.201 -6.631 1.00 0.00 C ATOM 0 H5' DG A 8 14.629 17.257 -6.313 1.00 0.00 H new ATOM 0 H5'' DG A 8 13.932 18.336 -5.121 1.00 0.00 H new ATOM 0 H4' DG A 8 12.201 17.028 -6.047 1.00 0.00 H new ATOM 0 H3' DG A 8 12.964 16.266 -3.186 1.00 0.00 H new ATOM 0 H2' DG A 8 11.857 14.245 -3.292 1.00 0.00 H new ATOM 0 H2'' DG A 8 10.470 15.004 -4.049 1.00 0.00 H new ATOM 0 H1' DG A 8 11.301 14.613 -6.239 1.00 0.00 H new ATOM 0 H8 DG A 8 12.925 12.544 -3.523 1.00 0.00 H new ATOM 0 H1 DG A 8 12.009 9.561 -9.192 1.00 0.00 H new ATOM 0 H21 DG A 8 11.120 12.654 -10.303 1.00 0.00 H new ATOM 0 H22 DG A 8 11.371 10.933 -10.611 1.00 0.00 H new ATOM 220 P DT A 9 10.038 17.519 -4.678 1.00 0.00 P ATOM 221 OP1 DT A 9 10.019 16.472 -5.724 1.00 0.00 O ATOM 222 OP2 DT A 9 9.990 18.930 -5.124 1.00 0.00 O ATOM 223 O5' DT A 9 8.795 17.266 -3.703 1.00 0.00 O ATOM 224 C5' DT A 9 8.125 16.008 -3.714 1.00 0.00 C ATOM 225 C4' DT A 9 8.227 15.352 -2.355 1.00 0.00 C ATOM 226 O4' DT A 9 9.457 15.062 -1.808 1.00 0.00 O ATOM 227 C3' DT A 9 7.773 16.233 -1.195 1.00 0.00 C ATOM 228 O3' DT A 9 6.359 16.405 -1.255 1.00 0.00 O ATOM 229 C2' DT A 9 8.187 15.495 0.049 1.00 0.00 C ATOM 230 C1' DT A 9 9.506 14.882 -0.410 1.00 0.00 C ATOM 231 N1 DT A 9 10.695 15.539 0.172 1.00 0.00 N ATOM 232 C2 DT A 9 10.995 15.214 1.459 1.00 0.00 C ATOM 233 O2 DT A 9 10.342 14.429 2.128 1.00 0.00 O ATOM 234 N3 DT A 9 12.102 15.825 2.003 1.00 0.00 N ATOM 235 C4 DT A 9 12.889 16.718 1.320 1.00 0.00 C ATOM 236 O4 DT A 9 13.857 16.939 1.840 1.00 0.00 O ATOM 237 C5 DT A 9 12.532 17.022 -0.020 1.00 0.00 C ATOM 238 C7 DT A 9 13.361 17.999 -0.819 1.00 0.00 C ATOM 239 C6 DT A 9 11.455 16.419 -0.527 1.00 0.00 C ATOM 0 H5' DT A 9 8.564 15.360 -4.473 1.00 0.00 H new ATOM 0 H5'' DT A 9 7.078 16.148 -3.981 1.00 0.00 H new ATOM 0 H4' DT A 9 7.647 14.474 -2.639 1.00 0.00 H new ATOM 0 H3' DT A 9 8.214 17.230 -1.221 1.00 0.00 H new ATOM 0 H2' DT A 9 8.315 16.162 0.902 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.459 14.738 0.342 1.00 0.00 H new ATOM 0 H1' DT A 9 9.607 13.844 -0.094 1.00 0.00 H new ATOM 0 H3 DT A 9 12.351 15.602 2.967 1.00 0.00 H new ATOM 0 H71 DT A 9 13.806 18.733 -0.147 1.00 0.00 H new ATOM 0 H72 DT A 9 14.151 17.462 -1.344 1.00 0.00 H new ATOM 0 H73 DT A 9 12.725 18.508 -1.543 1.00 0.00 H new ATOM 0 H6 DT A 9 11.174 16.643 -1.546 1.00 0.00 H new ATOM 251 P DG A 10 5.737 17.648 -2.049 1.00 0.00 P ATOM 252 OP1 DG A 10 6.827 18.513 -2.553 1.00 0.00 O ATOM 253 OP2 DG A 10 4.683 18.286 -1.229 1.00 0.00 O ATOM 254 O5' DG A 10 5.033 16.955 -3.307 1.00 0.00 O ATOM 255 C5' DG A 10 5.026 17.614 -4.572 1.00 0.00 C ATOM 256 C4' DG A 10 4.471 16.693 -5.635 1.00 0.00 C ATOM 257 O4' DG A 10 5.445 15.722 -5.987 1.00 0.00 O ATOM 258 C3' DG A 10 3.273 15.861 -5.185 1.00 0.00 C ATOM 259 O3' DG A 10 2.263 15.902 -6.192 1.00 0.00 O ATOM 260 C2' DG A 10 3.805 14.469 -4.993 1.00 0.00 C ATOM 261 C1' DG A 10 4.889 14.429 -6.067 1.00 0.00 C ATOM 262 N9 DG A 10 5.915 13.391 -5.830 1.00 0.00 N ATOM 263 C8 DG A 10 6.705 13.252 -4.746 1.00 0.00 C ATOM 264 N7 DG A 10 7.528 12.213 -4.840 1.00 0.00 N ATOM 265 C5 DG A 10 7.231 11.668 -6.061 1.00 0.00 C ATOM 266 C6 DG A 10 7.759 10.549 -6.738 1.00 0.00 C ATOM 267 O6 DG A 10 8.647 9.812 -6.313 1.00 0.00 O ATOM 268 N1 DG A 10 7.243 10.259 -7.964 1.00 0.00 N ATOM 269 C2 DG A 10 6.266 11.052 -8.457 1.00 0.00 C ATOM 270 N2 DG A 10 5.869 10.640 -9.659 1.00 0.00 N ATOM 271 N3 DG A 10 5.692 12.136 -7.903 1.00 0.00 N ATOM 272 C4 DG A 10 6.249 12.372 -6.683 1.00 0.00 C ATOM 0 H5' DG A 10 6.038 17.920 -4.837 1.00 0.00 H new ATOM 0 H5'' DG A 10 4.424 18.521 -4.515 1.00 0.00 H new ATOM 0 H4' DG A 10 4.181 17.363 -6.445 1.00 0.00 H new ATOM 0 H3' DG A 10 2.819 16.232 -4.266 1.00 0.00 H new ATOM 0 H2' DG A 10 4.208 14.315 -3.992 1.00 0.00 H new ATOM 0 H2'' DG A 10 3.040 13.709 -5.149 1.00 0.00 H new ATOM 0 H1' DG A 10 4.487 14.172 -7.047 1.00 0.00 H new ATOM 0 H8 DG A 10 6.672 13.914 -3.893 1.00 0.00 H new ATOM 0 H1 DG A 10 7.586 9.461 -8.499 1.00 0.00 H new ATOM 0 H21 DG A 10 5.134 11.145 -10.154 1.00 0.00 H new ATOM 0 H22 DG A 10 6.300 9.819 -10.085 1.00 0.00 H new ATOM 284 P DC A 11 0.720 15.802 -5.781 1.00 0.00 P ATOM 285 OP1 DC A 11 0.061 17.109 -6.000 1.00 0.00 O ATOM 286 OP2 DC A 11 0.599 15.194 -4.438 1.00 0.00 O ATOM 287 O5' DC A 11 0.130 14.766 -6.848 1.00 0.00 O ATOM 288 C5' DC A 11 0.483 14.882 -8.225 1.00 0.00 C ATOM 289 C4' DC A 11 0.447 13.523 -8.887 1.00 0.00 C ATOM 290 O4' DC A 11 1.420 12.678 -8.305 1.00 0.00 O ATOM 291 C3' DC A 11 -0.850 12.750 -8.669 1.00 0.00 C ATOM 292 O3' DC A 11 -1.210 12.079 -9.875 1.00 0.00 O ATOM 293 C2' DC A 11 -0.551 11.776 -7.564 1.00 0.00 C ATOM 294 C1' DC A 11 0.906 11.440 -7.868 1.00 0.00 C ATOM 295 N1 DC A 11 1.652 10.936 -6.695 1.00 0.00 N ATOM 296 C2 DC A 11 2.514 9.858 -6.891 1.00 0.00 C ATOM 297 O2 DC A 11 2.614 9.378 -8.025 1.00 0.00 O ATOM 298 N3 DC A 11 3.204 9.381 -5.839 1.00 0.00 N ATOM 299 C4 DC A 11 3.085 9.905 -4.635 1.00 0.00 C ATOM 300 N4 DC A 11 3.774 9.421 -3.610 1.00 0.00 N ATOM 301 C5 DC A 11 2.199 11.023 -4.406 1.00 0.00 C ATOM 302 C6 DC A 11 1.518 11.487 -5.464 1.00 0.00 C ATOM 0 H5' DC A 11 1.479 15.314 -8.318 1.00 0.00 H new ATOM 0 H5'' DC A 11 -0.206 15.559 -8.729 1.00 0.00 H new ATOM 0 H4' DC A 11 0.594 13.742 -9.945 1.00 0.00 H new ATOM 0 H3' DC A 11 -1.688 13.394 -8.403 1.00 0.00 H new ATOM 0 H2' DC A 11 -0.676 12.220 -6.576 1.00 0.00 H new ATOM 0 H2'' DC A 11 -1.195 10.897 -7.602 1.00 0.00 H new ATOM 0 HO3' DC A 11 -2.042 11.580 -9.736 1.00 0.00 H new ATOM 0 H1' DC A 11 0.997 10.633 -8.595 1.00 0.00 H new ATOM 0 H41 DC A 11 3.671 9.837 -2.684 1.00 0.00 H new ATOM 0 H42 DC A 11 4.407 8.633 -3.747 1.00 0.00 H new ATOM 0 H5 DC A 11 2.090 11.465 -3.427 1.00 0.00 H new ATOM 0 H6 DC A 11 0.845 12.321 -5.332 1.00 0.00 H new TER 315 DC A 11 HETATM 316 C2 C4Q A 101 12.555 13.411 -1.075 1.00 0.00 C HETATM 317 C3 C4Q A 101 13.096 13.158 0.172 1.00 0.00 C HETATM 318 C4 C4Q A 101 12.629 12.033 0.894 1.00 0.00 C HETATM 319 C5 C4Q A 101 11.062 10.055 0.932 1.00 0.00 C HETATM 320 N5 C4Q A 101 11.571 12.637 -1.548 1.00 0.00 N HETATM 321 C6 C4Q A 101 10.072 9.279 0.301 1.00 0.00 C HETATM 322 C7 C4Q A 101 9.587 9.621 -0.972 1.00 0.00 C HETATM 323 C8 C4Q A 101 10.074 10.757 -1.635 1.00 0.00 C HETATM 324 C9 C4Q A 101 11.074 11.538 -0.977 1.00 0.00 C HETATM 325 CM C4Q A 101 13.367 11.648 2.189 1.00 0.00 C HETATM 326 C1' C4Q A 101 13.936 11.745 4.528 1.00 0.00 C HETATM 327 N1' C4Q A 101 13.507 12.610 3.357 1.00 0.00 N HETATM 328 C10 C4Q A 101 11.599 11.208 0.307 1.00 0.00 C HETATM 329 C2' C4Q A 101 12.943 10.689 5.086 1.00 0.00 C HETATM 330 N2' C4Q A 101 11.642 11.248 5.507 1.00 0.00 N HETATM 331 C3' C4Q A 101 11.666 12.181 6.655 1.00 0.00 C HETATM 332 N3' C4Q A 101 11.307 14.574 5.719 1.00 0.00 N HETATM 333 C4' C4Q A 101 10.729 13.388 6.435 1.00 0.00 C HETATM 334 N4' C4Q A 101 13.910 15.185 4.778 1.00 0.00 N HETATM 335 C5' C4Q A 101 12.260 15.322 6.591 1.00 0.00 C HETATM 336 C6' C4Q A 101 13.722 15.035 6.238 1.00 0.00 C HETATM 337 C7' C4Q A 101 15.085 14.446 4.257 1.00 0.00 C HETATM 338 C8' C4Q A 101 14.673 13.528 3.086 1.00 0.00 C HETATM 0 HN4' C4Q A 101 13.292 15.742 4.188 1.00 0.00 H new HETATM 0 HN3' C4Q A 101 11.078 14.835 4.760 1.00 0.00 H new HETATM 0 HN2' C4Q A 101 10.773 11.004 5.031 1.00 0.00 H new HETATM 0 H8'A C4Q A 101 15.533 12.920 2.804 1.00 0.00 H new HETATM 0 H7'A C4Q A 101 15.846 15.151 3.923 1.00 0.00 H new HETATM 0 H6'A C4Q A 101 13.992 14.026 6.549 1.00 0.00 H new HETATM 0 H5'A C4Q A 101 12.070 16.391 6.499 1.00 0.00 H new HETATM 0 H4'A C4Q A 101 9.859 13.045 5.875 1.00 0.00 H new HETATM 0 H3'A C4Q A 101 11.369 11.651 7.560 1.00 0.00 H new HETATM 0 H2'A C4Q A 101 12.770 9.930 4.323 1.00 0.00 H new HETATM 0 H1'A C4Q A 101 14.845 11.220 4.234 1.00 0.00 H new HETATM 0 HMA C4Q A 101 12.876 10.755 2.576 1.00 0.00 H new HETATM 0 HM C4Q A 101 14.377 11.357 1.900 1.00 0.00 H new HETATM 0 H8' C4Q A 101 14.429 14.153 2.227 1.00 0.00 H new HETATM 0 H8 C4Q A 101 9.702 11.035 -2.621 1.00 0.00 H new HETATM 0 H7' C4Q A 101 15.530 13.850 5.054 1.00 0.00 H new HETATM 0 H7 C4Q A 101 8.828 9.000 -1.447 1.00 0.00 H new HETATM 0 H6' C4Q A 101 14.379 15.721 6.773 1.00 0.00 H new HETATM 0 H6 C4Q A 101 9.676 8.399 0.808 1.00 0.00 H new HETATM 0 H5' C4Q A 101 12.081 15.055 7.633 1.00 0.00 H new HETATM 0 H5 C4Q A 101 11.422 9.764 1.919 1.00 0.00 H new HETATM 0 H4' C4Q A 101 10.370 13.721 7.409 1.00 0.00 H new HETATM 0 H3' C4Q A 101 12.684 12.536 6.813 1.00 0.00 H new HETATM 0 H3 C4Q A 101 13.864 13.809 0.589 1.00 0.00 H new HETATM 0 H2' C4Q A 101 13.403 10.187 5.937 1.00 0.00 H new HETATM 0 H2 C4Q A 101 12.930 14.241 -1.673 1.00 0.00 H new HETATM 0 H1' C4Q A 101 14.204 12.411 5.348 1.00 0.00 H new HETATM 366 ZN ZN A 102 11.882 14.859 3.127 1.00 0.00 ZN CONECT 233 366 CONECT 316 317 320 339 CONECT 317 316 318 340 CONECT 318 317 325 328 CONECT 319 321 328 341 CONECT 320 316 324 CONECT 321 319 322 342 CONECT 322 321 323 343 CONECT 323 322 324 344 CONECT 324 320 323 328 CONECT 325 318 327 361 362 CONECT 326 327 329 345 346 CONECT 327 325 326 338 CONECT 328 318 319 324 CONECT 329 326 330 347 348 CONECT 330 329 331 363 CONECT 331 330 333 349 359 CONECT 332 333 335 364 366 CONECT 333 331 332 350 360 CONECT 334 336 337 365 366 CONECT 335 332 336 351 352 CONECT 336 334 335 353 354 CONECT 337 334 338 355 356 CONECT 338 327 337 357 358 CONECT 339 316 CONECT 340 317 CONECT 341 319 CONECT 342 321 CONECT 343 322 CONECT 344 323 CONECT 345 326 CONECT 346 326 CONECT 347 329 CONECT 348 329 CONECT 349 331 CONECT 350 333 CONECT 351 335 CONECT 352 335 CONECT 353 336 CONECT 354 336 CONECT 355 337 CONECT 356 337 CONECT 357 338 CONECT 358 338 CONECT 359 331 CONECT 360 333 CONECT 361 325 CONECT 362 325 CONECT 363 330 CONECT 364 332 CONECT 365 334 CONECT 366 233 332 334 END